G4LYL7_SCHMA Loading...

Subfamily C14A unassigned peptidase (C14 family)

AlphaFold DB , UniProt , Accession G4LYL7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 379 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
1M88.9Confident89Confident20 Ų2083.3 Ų83.310%0.09936%0.36CS..  0139.40-174.2179.7-70.100108.9H5 R6 I9 I61 V62 C64 G65 A68 Y69M1-H5 HydrophobicContact CG-CB 3.65Å; M1-H5 HydrophobicContact SD-CB 3.95Å; M1-R6 HydrophobicContact CB-CG 4.2Å; M1-R6 HydrophobicContact CG-CG 4.02Å; M1-R6 PolarHBondContact O-NH1 3.24Å; M1-R6 HydrophobicContact SD-CG 3.86Å; M1-I9 HydrophobicContact CE-CD1 3.78Å; M1-I9 HydrophobicContact SD-CD1 3.76Å; M1-I61 HydrophobicContact CE-CG1 4.1Å; M1-I61 VanDerWaalsContact CE-O 3.25Å; M1-I61 WeakPolarHBondContact CE-O 3.36Å; M1-V62 HydrophobicContact SD-CG1 4.28Å; M1-C64 PolarHBondContact N-O 3.16Å; M1-G65 WeakPolarHBondContact CA-O 3.46Å; M1-G65 PolarHBondContact N-O 3.42Å; M1-A68 HydrophobicContact CE-CB 4.13Å; M1-Y69 HydrophobicContact CE-CD2 4.11Å; M1-Y69 HydrophobicContact SD-CD2 4.19Å
2E85.3Confident89.3Confident100 Ų10078.2 Ų78.247%0.46734%0.339SS..  trans-69.8159179.7-62.3-178151.100112.2E4 H5 R6E2-E4 VanDerWaalsContact C-N 3.34Å; E2-E4 HydrophobicContact CB-CG 4.49Å; E2-E4 PolarHBondContact O-N 2.88Å; E2-H5 PolarHBondContact O-N 2.98Å; E2-H5 IonicContact OE2-CE1 3.4Å; E2-H5 PolarHBondContact OE2-CE1 2.78Å; E2-H5 IonicContact OE2-ND1 2.98Å; E2-R6 WeakPolarHBondContact O-CG 3.45Å; E2-R6 PolarHBondContact O-N 3.27Å; E2-R6 VanDerWaalsContact O-N 3.14Å
3K84.9Confident89.6Confident148 Ų14877.2 Ų77.264%0.64333%0.332SS*.Hα-helixtrans-60.8-43.8-173.9-176.7-177.2174-173.60111.7H5 R6 D7K3-H5 PolarHBondContact O-N 3.36Å; K3-R6 WeakPolarHBondContact O-CB 3.29Å; K3-R6 PolarHBondContact O-N 3.46Å; K3-D7 PolarHBondContact O-N 3.2Å
4E88.7Confident89.6Confident108 Ų10879.1 Ų79.151%0.50535%0.353SS..Hα-helixtrans-63.6-40.5-177.662.3-167152.100113.2E2 D7 V8 K95E2-E4 VanDerWaalsContact C-N 3.34Å; E2-E4 HydrophobicContact CB-CG 4.49Å; E2-E4 PolarHBondContact O-N 2.88Å; E4-D7 PolarHBondContact O-N 3.27Å; E4-V8 WeakPolarHBondContact O-CG2 3.47Å; E4-V8 PolarHBondContact O-N 3.26Å; E4-K95 PolarHBondContact O-NZ 2.9Å
5H91.3Very high89.8Confident24 Ų2478.6 Ų78.611%0.11135%0.351CS..Hα-helixtrans-64.8-41.1174.7-62153.4000111.8M1 E2 K3 D7 V8 I9 Y69M1-H5 HydrophobicContact CG-CB 3.65Å; M1-H5 HydrophobicContact SD-CB 3.95Å; E2-H5 PolarHBondContact O-N 2.98Å; E2-H5 IonicContact OE2-CE1 3.4Å; E2-H5 PolarHBondContact OE2-CE1 2.78Å; E2-H5 IonicContact OE2-ND1 2.98Å; K3-H5 PolarHBondContact O-N 3.36Å; H5-D7 VanDerWaalsContact C-N 3.29Å; H5-D7 PolarHBondContact O-N 3.21Å; H5-V8 PolarHBondContact O-N 2.87Å; H5-I9 PolarHBondContact O-N 2.87Å; H5-I9 VanDerWaalsContact O-N 3.09Å; H5-Y69 HydrophobicContact CB-CD1 3.78Å; H5-Y69 HydrophobicContact CB-CD2 3.81Å; H5-Y69 HydrophobicContact CB-CE1 4.09Å; H5-Y69 HydrophobicContact CB-CE2 4.17Å; H5-Y69 HydrophobicContact CB-CG 3.6Å; H5-Y69 AromaticContact CD2-CD1 3.29Å; H5-Y69 WeakPolarHBondContact CD2-CD1 3.37Å; H5-Y69 AromaticContact CD2-CE1 3.27Å; H5-Y69 WeakPolarHBondContact CD2-CE1 3.37Å; H5-Y69 AromaticContact CE1-CD1 3.83Å; H5-Y69 AromaticContact CG-CD1 3.27Å; H5-Y69 AromaticContact CG-CE1 3.67Å; H5-Y69 AromaticContact CG-CG 3.58Å; H5-Y69 AromaticContact ND1-CD1 3.6Å; H5-Y69 AromaticContact ND1-CG 3.9Å; H5-Y69 AromaticContact NE2-CD1 3.66Å; H5-Y69 AromaticContact NE2-CE1 3.84Å
6R87.7Confident90.1Very high105 Ų10573.7 Ų73.740%0.39633%0.329SS..Hα-helixtrans-61.4-38.5173.4-69.7-169.4-63.4-112.5-1.7112M1 E2 K3 I9 R10 V62M1-R6 HydrophobicContact CB-CG 4.2Å; M1-R6 HydrophobicContact CG-CG 4.02Å; M1-R6 PolarHBondContact O-NH1 3.24Å; M1-R6 HydrophobicContact SD-CG 3.86Å; E2-R6 WeakPolarHBondContact O-CG 3.45Å; E2-R6 PolarHBondContact O-N 3.27Å; E2-R6 VanDerWaalsContact O-N 3.14Å; K3-R6 WeakPolarHBondContact O-CB 3.29Å; K3-R6 PolarHBondContact O-N 3.46Å; R6-I9 PolarHBondContact O-N 3.32Å; R6-R10 WeakPolarHBondContact O-CB 3.47Å; R6-R10 PolarHBondContact O-N 3.41Å; R6-V62 HydrophobicContact CG-CB 4.09Å; R6-V62 HydrophobicContact CG-CG1 4.38Å
7D88.9Confident90.3Very high58 Ų5870.3 Ų70.331%0.3132%0.315SS..Hα-helixtrans-68.7-36.3178.7-70.2-24.4000112.1K3 E4 H5 R10 K11K3-D7 PolarHBondContact O-N 3.2Å; E4-D7 PolarHBondContact O-N 3.27Å; H5-D7 VanDerWaalsContact C-N 3.29Å; H5-D7 PolarHBondContact O-N 3.21Å; D7-R10 PolarHBondContact O-N 3.49Å; D7-K11 WeakPolarHBondContact O-CG 3.43Å; D7-K11 PolarHBondContact O-N 3.3Å
8V91.1Very high90.3Very high2 Ų275.6 Ų75.61%0.01234%0.338CS..Hα-helixtrans-61.9-50.5173174.70000110.4E4 H5 R10 K11 L12 Y69 L88 T91 E92E4-V8 WeakPolarHBondContact O-CG2 3.47Å; E4-V8 PolarHBondContact O-N 3.26Å; H5-V8 PolarHBondContact O-N 2.87Å; V8-R10 VanDerWaalsContact C-N 3.28Å; V8-R10 PolarHBondContact O-N 2.91Å; V8-K11 PolarHBondContact O-N 2.99Å; V8-L12 HydrophobicContact CG1-CD1 3.97Å; V8-L12 PolarHBondContact O-N 2.95Å; V8-Y69 WeakPolarHBondContact CG1-OH 3.32Å; V8-L88 HydrophobicContact CG1-CD2 3.82Å; V8-T91 HydrophobicContact CG1-CG2 3.99Å; V8-T91 HydrophobicContact CG2-CG2 4.45Å; V8-E92 HydrophobicContact CG2-CG 4.33Å
9I92.2Very high90.4Very high1 Ų175.4 Ų75.41%0.00534%0.34CS..Hα-helixtrans-59.4-40.7176.9-67.6-179000111.1M1 H5 R6 L12 R13 L16 L58 I61 V62 Y69M1-I9 HydrophobicContact CE-CD1 3.78Å; M1-I9 HydrophobicContact SD-CD1 3.76Å; H5-I9 PolarHBondContact O-N 2.87Å; H5-I9 VanDerWaalsContact O-N 3.09Å; R6-I9 PolarHBondContact O-N 3.32Å; I9-L12 CarbonylContact O-C 3.58Å; I9-L12 PolarHBondContact O-N 3Å; I9-R13 WeakPolarHBondContact O-CA 3.47Å; I9-R13 WeakPolarHBondContact O-CB 3.43Å; I9-R13 PolarHBondContact O-N 2.95Å; I9-L16 HydrophobicContact CG2-CD1 4.35Å; I9-L58 HydrophobicContact CG2-CD2 4.07Å; I9-I61 HydrophobicContact CD1-CG2 4.08Å; I9-V62 HydrophobicContact CB-CG1 4.21Å; I9-V62 HydrophobicContact CD1-CG1 3.99Å; I9-V62 HydrophobicContact CG2-CG1 3.88Å; I9-Y69 HydrophobicContact CD1-CD2 4Å; I9-Y69 HydrophobicContact CD1-CE2 4.12Å; I9-Y69 HydrophobicContact CG1-CD2 4.37Å; I9-Y69 HydrophobicContact CG1-CE2 3.98Å
10R89.3Confident90.6Very high199 Ų19971.8 Ų71.875%0.75132%0.324SS*.Hα-helixtrans-63.4-44.9178.6-175.1178.2178.2165.50.5112R6 D7 V8 R13R6-R10 WeakPolarHBondContact O-CB 3.47Å; R6-R10 PolarHBondContact O-N 3.41Å; D7-R10 PolarHBondContact O-N 3.49Å; V8-R10 VanDerWaalsContact C-N 3.28Å; V8-R10 PolarHBondContact O-N 2.91Å; R10-R13 WeakPolarHBondContact O-CB 3.22Å; R10-R13 PolarHBondContact O-N 2.99Å
11K90.6Very high90.5Very high151 Ų15171.8 Ų71.866%0.65733%0.333SS*.Hα-helixtrans-64-43.4177.5-76.3-177.1179.4-172.40111.8D7 V8 R13D7-K11 WeakPolarHBondContact O-CG 3.43Å; D7-K11 PolarHBondContact O-N 3.3Å; V8-K11 PolarHBondContact O-N 2.99Å; K11-R13 VanDerWaalsContact C-N 3.31Å; K11-R13 PolarHBondContact O-N 2.84Å
12L92.8Very high90.6Very high22 Ų2273.8 Ų73.812%0.11534%0.344CS..Hα-helixtrans-862-178.6-62.1178.6000113.6V8 I9 V14 F15 L16 L87 L88 T91V8-L12 HydrophobicContact CG1-CD1 3.97Å; V8-L12 PolarHBondContact O-N 2.95Å; I9-L12 CarbonylContact O-C 3.58Å; I9-L12 PolarHBondContact O-N 3Å; L12-V14 VanDerWaalsContact C-N 3.29Å; L12-V14 PolarHBondContact O-N 2.89Å; L12-V14 VanDerWaalsContact O-N 3.13Å; L12-F15 CarbonylContact O-C 3.52Å; L12-F15 WeakPolarHBondContact O-CA 3.18Å; L12-F15 WeakPolarHBondContact O-CB 3.31Å; L12-F15 PolarHBondContact O-N 3.11Å; L12-L16 HydrophobicContact CB-CD1 4.2Å; L12-L16 HydrophobicContact CB-CG 4.13Å; L12-L16 WeakPolarHBondContact O-CG 3.4Å; L12-L16 PolarHBondContact O-N 3.12Å; L12-L87 HydrophobicContact CD1-CG 4.49Å; L12-L87 HydrophobicContact CD2-CD2 4.17Å; L12-L87 HydrophobicContact CD2-CG 4.41Å; L12-L88 HydrophobicContact CD1-CD2 3.7Å; L12-L88 HydrophobicContact CD1-CG 4.34Å; L12-T91 HydrophobicContact CD1-CG2 4.26Å; L12-T91 HydrophobicContact CG-CG2 4.34Å
13R93.1Very high91.1Very high66 Ų6669.1 Ų69.125%0.24932%0.322CS..Hα-helixtrans-52.3-45-170.6-171.1175-179.2102.40.7113I9 R10 K11 V17 R55 L58 D59I9-R13 WeakPolarHBondContact O-CA 3.47Å; I9-R13 WeakPolarHBondContact O-CB 3.43Å; I9-R13 PolarHBondContact O-N 2.95Å; R10-R13 WeakPolarHBondContact O-CB 3.22Å; R10-R13 PolarHBondContact O-N 2.99Å; K11-R13 VanDerWaalsContact C-N 3.31Å; K11-R13 PolarHBondContact O-N 2.84Å; R13-V17 WeakPolarHBondContact O-CG2 3.19Å; R13-V17 PolarHBondContact O-N 3.1Å; R13-V17 VanDerWaalsContact O-N 3.12Å; R13-R55 PolarHBondContact NH2-O 2.75Å; R13-R55 VanDerWaalsContact NH2-O 3.13Å; R13-L58 HydrophobicContact CG-CD1 3.92Å; R13-D59 IonicContact CZ-OD1 2.94Å; R13-D59 IonicContact NH1-OD1 2.81Å; R13-D59 PolarHBondContact NH1-OD1 3Å; R13-D59 IonicContact NH2-OD1 3.57Å; R13-D59 PolarHBondContact NH2-OD1 2.78Å; R13-D59 IonicContact NH2-OD2 2.72Å; R13-D59 PolarHBondContact NH2-OD2 3.47Å
14V89.2Confident91.6Very high103 Ų10367 Ų6762%0.62431%0.314SS*.Hα-helixtrans-67.3-37.4179.7179.80000111.6L12 K18L12-V14 VanDerWaalsContact C-N 3.29Å; L12-V14 PolarHBondContact O-N 2.89Å; L12-V14 VanDerWaalsContact O-N 3.13Å; V14-K18 WeakPolarHBondContact O-CG 3.41Å; V14-K18 PolarHBondContact O-N 3.31Å
15F92.4Very high91.9Very high72 Ų7266.4 Ų66.432%0.31631%0.311SS..Hα-helixtrans-68.1-47.4176.8179.5-87.4000111.2L12 V17 K18 N19 I84 L87L12-F15 CarbonylContact O-C 3.52Å; L12-F15 WeakPolarHBondContact O-CA 3.18Å; L12-F15 WeakPolarHBondContact O-CB 3.31Å; L12-F15 PolarHBondContact O-N 3.11Å; F15-V17 VanDerWaalsContact C-N 3.35Å; F15-V17 PolarHBondContact O-N 3.04Å; F15-K18 PolarHBondContact O-N 3.01Å; F15-N19 HydrophobicContact CD1-CB 4.38Å; F15-N19 VanDerWaalsContact CD2-ND2 3.3Å; F15-N19 WeakPolarHBondContact CD2-ND2 3.25Å; F15-N19 HydrophobicContact CE1-CB 3.94Å; F15-N19 VanDerWaalsContact CE2-ND2 3.26Å; F15-N19 WeakPolarHBondContact CE2-ND2 3.34Å; F15-N19 HydrophobicContact CZ-CB 4.11Å; F15-N19 WeakPolarHBondContact CZ-ND2 3.46Å; F15-N19 PolarHBondContact O-N 3.46Å; F15-N19 PolarHBondContact O-ND2 3.04Å; F15-I84 HydrophobicContact CE1-CG1 4.49Å; F15-L87 HydrophobicContact CD1-CD2 3.5Å; F15-L87 HydrophobicContact CD2-CD2 4.05Å; F15-L87 HydrophobicContact CE1-CD2 3.3Å; F15-L87 HydrophobicContact CE2-CD2 3.86Å; F15-L87 HydrophobicContact CG-CD2 3.89Å; F15-L87 HydrophobicContact CZ-CD2 3.49Å; F15-L87 VanDerWaalsContact CZ-CD2 3.49Å
16L94.9Very high92.2Very high0 Ų065.3 Ų65.30%031%0.306CS..Hα-helixtrans-59.5-44179.9-66.8173.7000111.8I9 L12 K18 N19 I20 L58 I84I9-L16 HydrophobicContact CG2-CD1 4.35Å; L12-L16 HydrophobicContact CB-CD1 4.2Å; L12-L16 HydrophobicContact CB-CG 4.13Å; L12-L16 WeakPolarHBondContact O-CG 3.4Å; L12-L16 PolarHBondContact O-N 3.12Å; L16-K18 PolarHBondContact O-N 3.16Å; L16-N19 PolarHBondContact O-N 3.34Å; L16-I20 HydrophobicContact CB-CD1 4.1Å; L16-I20 HydrophobicContact CD2-CD1 4.33Å; L16-I20 WeakPolarHBondContact O-CB 3.47Å; L16-I20 WeakPolarHBondContact O-CG1 3.44Å; L16-I20 PolarHBondContact O-N 2.88Å; L16-L58 HydrophobicContact CB-CD1 3.88Å; L16-L58 HydrophobicContact CB-CD2 4.43Å; L16-L58 HydrophobicContact CD1-CD1 4.25Å; L16-L58 HydrophobicContact CD1-CD2 3.85Å; L16-I84 HydrophobicContact CD2-CG2 3.39Å
17V93.8Very high92.6Very high16 Ų1660.3 Ų60.310%0.09729%0.287CS..Hα-helixtrans-61.1-27.2177172.40000112.9R13 F15 A51 I54 R55 L58R13-V17 WeakPolarHBondContact O-CG2 3.19Å; R13-V17 PolarHBondContact O-N 3.1Å; R13-V17 VanDerWaalsContact O-N 3.12Å; F15-V17 VanDerWaalsContact C-N 3.35Å; F15-V17 PolarHBondContact O-N 3.04Å; V17-A51 HydrophobicContact CG1-CB 3.83Å; V17-I54 HydrophobicContact CB-CG2 4.38Å; V17-I54 HydrophobicContact CG2-CB 4.48Å; V17-I54 HydrophobicContact CG2-CG2 3.98Å; V17-I54 WeakPolarHBondContact O-CD1 3.03Å; V17-R55 HydrophobicContact CG1-CG 4.19Å; V17-R55 HydrophobicContact CG2-CG 3.66Å; V17-L58 HydrophobicContact CG2-CD1 3.88Å
18K90.8Very high92.9Very high166 Ų16661.1 Ų61.172%0.72229%0.292SS*.Hα-helixtrans-91.5-26.5-179.5-71.7-179.5178.5-175.40114V14 F15 L16V14-K18 WeakPolarHBondContact O-CG 3.41Å; V14-K18 PolarHBondContact O-N 3.31Å; F15-K18 PolarHBondContact O-N 3.01Å; L16-K18 PolarHBondContact O-N 3.16Å
19N92.4Very high93Very high72 Ų7262.3 Ų62.339%0.38530%0.298SS..Hα-helixtrans-111.5-18-168.2-68.5-84000114.3F15 L16 S21 I84F15-N19 HydrophobicContact CD1-CB 4.38Å; F15-N19 VanDerWaalsContact CD2-ND2 3.3Å; F15-N19 WeakPolarHBondContact CD2-ND2 3.25Å; F15-N19 HydrophobicContact CE1-CB 3.94Å; F15-N19 VanDerWaalsContact CE2-ND2 3.26Å; F15-N19 WeakPolarHBondContact CE2-ND2 3.34Å; F15-N19 HydrophobicContact CZ-CB 4.11Å; F15-N19 WeakPolarHBondContact CZ-ND2 3.46Å; F15-N19 PolarHBondContact O-N 3.46Å; F15-N19 PolarHBondContact O-ND2 3.04Å; L16-N19 PolarHBondContact O-N 3.34Å; N19-S21 PolarHBondContact O-N 2.83Å; N19-I84 HydrophobicContact CB-CD1 4.19Å; N19-I84 HydrophobicContact CB-CG1 4.39Å
20I94.2Very high93.2Very high3 Ų362.3 Ų62.32%0.01530%0.298CS..  trans-70.3115.3173.7-67.3172.2000109L16 L23 I26 I54 F57 F72 I84L16-I20 HydrophobicContact CB-CD1 4.1Å; L16-I20 HydrophobicContact CD2-CD1 4.33Å; L16-I20 WeakPolarHBondContact O-CB 3.47Å; L16-I20 WeakPolarHBondContact O-CG1 3.44Å; L16-I20 PolarHBondContact O-N 2.88Å; I20-L23 HydrophobicContact CG2-CB 4.14Å; I20-L23 HydrophobicContact CG2-CD1 4.39Å; I20-I26 HydrophobicContact CG2-CD1 3.79Å; I20-I54 HydrophobicContact CB-CD1 3.89Å; I20-I54 HydrophobicContact CB-CG1 4.2Å; I20-I54 HydrophobicContact CB-CG2 4.45Å; I20-I54 HydrophobicContact CD1-CG2 3.95Å; I20-I54 HydrophobicContact CG2-CD1 4.23Å; I20-I54 HydrophobicContact CG2-CG1 4.16Å; I20-I54 VanDerWaalsContact O-CD1 3.27Å; I20-I54 WeakPolarHBondContact O-CD1 3.33Å; I20-F57 HydrophobicContact CD1-CE1 4.41Å; I20-F72 HydrophobicContact CD1-CZ 4.18Å; I20-I84 HydrophobicContact CB-CD1 4.37Å; I20-I84 HydrophobicContact CG1-CD1 3.64Å
21S88.8Confident93.2Very high72 Ų7255 Ų5550%0.50327%0.272SS..  trans-102-40.4179.657.90000112.8N19 L23N19-S21 PolarHBondContact O-N 2.83Å; S21-L23 PolarHBondContact O-N 3.37Å
22N91.3Very high93.1Very high62 Ų6252.2 Ų52.233%0.33227%0.272SS..  trans-102.757.4-173.4-59.9-20.9000111E24 I26 T79N22-E24 VanDerWaalsContact C-N 3.32Å; N22-E24 PolarHBondContact O-N 2.7Å; N22-I26 WeakPolarHBondContact O-CG1 2.95Å; N22-I26 PolarHBondContact O-N 3.16Å; N22-T79 PolarHBondContact ND2-O 3.29Å
23L95.8Very high93Very high2 Ų253.3 Ų53.31%0.0128%0.281CS..Hα-helixtrans-61.9-39.4-177.2179.763.8000112.1I20 S21 E25 I26 L27 I44 L50 K53 I54 F57I20-L23 HydrophobicContact CG2-CB 4.14Å; I20-L23 HydrophobicContact CG2-CD1 4.39Å; S21-L23 PolarHBondContact O-N 3.37Å; L23-E25 PolarHBondContact O-N 3.24Å; L23-I26 WeakPolarHBondContact O-CB 3.38Å; L23-I26 PolarHBondContact O-N 3.17Å; L23-L27 HydrophobicContact CD1-CD1 4.46Å; L23-L27 HydrophobicContact CD1-CD2 4.4Å; L23-L27 HydrophobicContact CD1-CG 4.24Å; L23-L27 HydrophobicContact CG-CD1 4.06Å; L23-L27 HydrophobicContact CG-CG 4.27Å; L23-L27 VanDerWaalsContact O-CG 3.29Å; L23-L27 WeakPolarHBondContact O-CG 3.34Å; L23-L27 PolarHBondContact O-N 3.31Å; L23-I44 HydrophobicContact CD2-CG2 4.01Å; L23-L50 HydrophobicContact CB-CD1 4.16Å; L23-K53 HydrophobicContact CD2-CB 3.53Å; L23-I54 HydrophobicContact CD2-CG1 3.96Å; L23-F57 HydrophobicContact CD1-CB 3.97Å; L23-F57 HydrophobicContact CD1-CD1 3.78Å; L23-F57 HydrophobicContact CD1-CD2 4.24Å; L23-F57 HydrophobicContact CD1-CE1 4.33Å; L23-F57 HydrophobicContact CD1-CG 3.72Å
24E94.4Very high92.7Very high103 Ų10357.6 Ų57.648%0.48131%0.308SS..Hα-helixtrans-64-44-174.9-51.1-160167.700111.9N22 I26 L27 D28 L45 K53N22-E24 VanDerWaalsContact C-N 3.32Å; N22-E24 PolarHBondContact O-N 2.7Å; E24-I26 PolarHBondContact O-N 3.04Å; E24-L27 WeakPolarHBondContact O-CA 3.35Å; E24-L27 WeakPolarHBondContact O-CB 3.25Å; E24-L27 PolarHBondContact O-N 3.4Å; E24-L27 VanDerWaalsContact O-N 3.07Å; E24-D28 PolarHBondContact O-N 2.68Å; E24-L45 HydrophobicContact CG-CD2 3.77Å; E24-K53 IonicContact OE1-NZ 3.65Å
25E95.1Very high92.7Very high96 Ų9654.1 Ų54.145%0.44929%0.286SS..Hα-helixtrans-64.8-36.7175.1-63.2176.4-155.800112.4L23 L27 D28 I29 T79L23-E25 PolarHBondContact O-N 3.24Å; E25-L27 VanDerWaalsContact C-N 3.27Å; E25-L27 PolarHBondContact O-N 3.02Å; E25-D28 WeakPolarHBondContact O-CB 3.21Å; E25-D28 PolarHBondContact O-N 3.08Å; E25-I29 WeakPolarHBondContact O-CG1 3.12Å; E25-I29 PolarHBondContact O-N 3.15Å; E25-I29 VanDerWaalsContact O-N 3.14Å; E25-T79 HydrophobicContact CB-CG2 3.51Å
26I96.8Very high92.5Very high0 Ų050.8 Ų50.80%027%0.271CS..Hα-helixtrans-60.1-42.9172.1-68.2162.1000109.7I20 N22 L23 E24 I29 L30 F57 F72 A75 L76 T79I20-I26 HydrophobicContact CG2-CD1 3.79Å; N22-I26 WeakPolarHBondContact O-CG1 2.95Å; N22-I26 PolarHBondContact O-N 3.16Å; L23-I26 WeakPolarHBondContact O-CB 3.38Å; L23-I26 PolarHBondContact O-N 3.17Å; E24-I26 PolarHBondContact O-N 3.04Å; I26-I29 PolarHBondContact O-N 3.2Å; I26-L30 HydrophobicContact CG2-CD1 3.7Å; I26-L30 HydrophobicContact CG2-CG 4.2Å; I26-L30 WeakPolarHBondContact O-CB 2.94Å; I26-L30 VanDerWaalsContact O-CG 3.28Å; I26-L30 WeakPolarHBondContact O-CG 3.31Å; I26-L30 PolarHBondContact O-N 2.96Å; I26-F57 HydrophobicContact CG2-CE2 4.41Å; I26-F57 HydrophobicContact CG2-CZ 4.03Å; I26-F72 HydrophobicContact CG2-CD2 4.17Å; I26-F72 HydrophobicContact CG2-CE2 4.25Å; I26-A75 HydrophobicContact CG2-CB 4.08Å; I26-L76 HydrophobicContact CD1-CD2 3.96Å; I26-T79 HydrophobicContact CG1-CG2 4.14Å
27L96.8Very high92Very high0 Ų054.4 Ų54.40%029%0.294CS..Hα-helixtrans-67-36.9179.1-61.7172.5000111.5L23 E24 E25 I29 L30 E31 I36 R41 I44 L45 F57L23-L27 HydrophobicContact CD1-CD1 4.46Å; L23-L27 HydrophobicContact CD1-CD2 4.4Å; L23-L27 HydrophobicContact CD1-CG 4.24Å; L23-L27 HydrophobicContact CG-CD1 4.06Å; L23-L27 HydrophobicContact CG-CG 4.27Å; L23-L27 VanDerWaalsContact O-CG 3.29Å; L23-L27 WeakPolarHBondContact O-CG 3.34Å; L23-L27 PolarHBondContact O-N 3.31Å; E24-L27 WeakPolarHBondContact O-CA 3.35Å; E24-L27 WeakPolarHBondContact O-CB 3.25Å; E24-L27 PolarHBondContact O-N 3.4Å; E24-L27 VanDerWaalsContact O-N 3.07Å; E25-L27 VanDerWaalsContact C-N 3.27Å; E25-L27 PolarHBondContact O-N 3.02Å; L27-I29 PolarHBondContact O-N 3.31Å; L27-L30 PolarHBondContact O-N 3.23Å; L27-E31 WeakPolarHBondContact O-CB 3.39Å; L27-E31 PolarHBondContact O-N 3.39Å; L27-I36 HydrophobicContact CB-CD1 4Å; L27-I36 HydrophobicContact CD2-CD1 3.42Å; L27-I36 VanDerWaalsContact CD2-CD1 3.42Å; L27-I36 HydrophobicContact CG-CD1 4.29Å; L27-R41 HydrophobicContact CB-CG 4.14Å; L27-R41 HydrophobicContact CD1-CG 4.21Å; L27-I44 HydrophobicContact CD1-CB 4.25Å; L27-I44 HydrophobicContact CD1-CG2 3.65Å; L27-I44 HydrophobicContact CD2-CD1 3.79Å; L27-I44 HydrophobicContact CD2-CG2 4.24Å; L27-L45 HydrophobicContact CD1-CD2 3.71Å; L27-L45 HydrophobicContact CD1-CG 3.92Å; L27-F57 HydrophobicContact CD2-CD2 3.63Å; L27-F57 HydrophobicContact CD2-CE2 4Å; L27-F57 HydrophobicContact CD2-CG 4.5Å
28D94.7Very high91.3Very high76 Ų7660.7 Ų60.741%0.40632%0.322SS..Hα-helixtrans-56.2-47.2172.6-76.9-55.4000112.2E24 E25 S32 R41E24-D28 PolarHBondContact O-N 2.68Å; E25-D28 WeakPolarHBondContact O-CB 3.21Å; E25-D28 PolarHBondContact O-N 3.08Å; D28-S32 WeakPolarHBondContact O-CB 3.49Å; D28-S32 PolarHBondContact O-N 3.05Å; D28-S32 PolarHBondContact O-OG 3.36Å; D28-R41 IonicContact OD1-CZ 3.95Å; D28-R41 IonicContact OD1-NH1 2.67Å; D28-R41 PolarHBondContact OD1-NH1 2.73Å; D28-R41 IonicContact OD1-NH2 3.85Å; D28-R41 PolarHBondContact OD1-NH2 3.36Å; D28-R41 IonicContact OD2-NH2 3.44Å; D28-R41 PolarHBondContact OD2-NH2 3.35Å; D28-R41 VanDerWaalsContact OD2-NH2 3.15Å
29I93.6Very high90.7Very high27 Ų2757.2 Ų57.214%0.13831%0.311CS..Hα-helixtrans-68.7-42.1-179.4-63.7160.4000111E25 I26 L27 S32 S33 A75 E78 T79E25-I29 WeakPolarHBondContact O-CG1 3.12Å; E25-I29 PolarHBondContact O-N 3.15Å; E25-I29 VanDerWaalsContact O-N 3.14Å; I26-I29 PolarHBondContact O-N 3.2Å; L27-I29 PolarHBondContact O-N 3.31Å; I29-S32 WeakPolarHBondContact CA-OG 3.3Å; I29-S32 PolarHBondContact O-OG 3.39Å; I29-S33 VanDerWaalsContact O-CB 3.29Å; I29-S33 WeakPolarHBondContact O-CB 3.45Å; I29-S33 PolarHBondContact O-N 3.03Å; I29-S33 PolarHBondContact O-OG 3.06Å; I29-A75 HydrophobicContact CB-CB 4.02Å; I29-A75 HydrophobicContact CD1-CB 4.19Å; I29-A75 HydrophobicContact CG2-CB 3.79Å; I29-E78 HydrophobicContact CD1-CB 3.66Å; I29-E78 WeakPolarHBondContact CG2-OE2 3.5Å; I29-T79 HydrophobicContact CD1-CG2 3.55Å
30L96Very high90.4Very high0 Ų056.8 Ų56.80%031%0.307CS..Hα-helixtrans-71.2-33.4179.9-68.9177.7000112.8I26 L27 L34 I35 I36 F57 I61 R71 A75I26-L30 HydrophobicContact CG2-CD1 3.7Å; I26-L30 HydrophobicContact CG2-CG 4.2Å; I26-L30 WeakPolarHBondContact O-CB 2.94Å; I26-L30 VanDerWaalsContact O-CG 3.28Å; I26-L30 WeakPolarHBondContact O-CG 3.31Å; I26-L30 PolarHBondContact O-N 2.96Å; L27-L30 PolarHBondContact O-N 3.23Å; L30-L34 PolarHBondContact O-N 3.33Å; L30-I35 HydrophobicContact CB-CB 4.41Å; L30-I35 HydrophobicContact CD2-CB 4.22Å; L30-I35 HydrophobicContact CD2-CG1 4.44Å; L30-I35 HydrophobicContact CD2-CG2 4.17Å; L30-I35 WeakPolarHBondContact O-CB 3.29Å; L30-I35 PolarHBondContact O-N 3.04Å; L30-I36 HydrophobicContact CB-CD1 3.95Å; L30-I36 HydrophobicContact CB-CG1 3.87Å; L30-I36 PolarHBondContact O-N 3.34Å; L30-F57 HydrophobicContact CD1-CE2 3.57Å; L30-F57 HydrophobicContact CD1-CZ 3.9Å; L30-I61 HydrophobicContact CD1-CD1 3.79Å; L30-R71 HydrophobicContact CD2-CB 3.94Å; L30-A75 HydrophobicContact CD2-CB 4.41Å; L30-A75 HydrophobicContact CG-CB 4.37Å
31E89.4Confident90.1Very high45 Ų4558.6 Ų58.621%0.2131%0.314CS..Hα-helixtrans-72.5-46.1175.4-177177.2-160.600111.5L27 S33 L34 I36 E38 R41L27-E31 WeakPolarHBondContact O-CB 3.39Å; L27-E31 PolarHBondContact O-N 3.39Å; E31-S33 PolarHBondContact O-N 3.34Å; E31-L34 WeakPolarHBondContact O-CA 3.32Å; E31-L34 PolarHBondContact O-N 2.76Å; E31-I36 HydrophobicContact CB-CD1 4.47Å; E31-I36 HydrophobicContact CB-CG1 4.03Å; E31-E38 WeakPolarHBondContact OE1-CA 3.33Å; E31-E38 WeakPolarHBondContact OE1-CB 3.37Å; E31-E38 PolarHBondContact OE1-N 2.85Å; E31-R41 WeakPolarHBondContact OE2-CD 3.34Å; E31-R41 IonicContact OE2-CZ 3.15Å; E31-R41 IonicContact OE2-NE 2.64Å; E31-R41 IonicContact OE2-NH1 2.7Å; E31-R41 PolarHBondContact OE2-NH1 3.23Å
32S90.1Very high90Very high93 Ų9361.5 Ų61.565%0.6532%0.319SS*.Hα-helixtrans-61-29.3174.758.80000112.7D28 I29 L34D28-S32 WeakPolarHBondContact O-CB 3.49Å; D28-S32 PolarHBondContact O-N 3.05Å; D28-S32 PolarHBondContact O-OG 3.36Å; I29-S32 WeakPolarHBondContact CA-OG 3.3Å; I29-S32 PolarHBondContact O-OG 3.39Å; S32-L34 VanDerWaalsContact C-N 3.29Å
33S89.7Confident89.8Confident45 Ų4560.6 Ų60.632%0.31532%0.318SS..THydrogen-bonded Turntrans-83.93.8172.6-59.60000114.2I29 E31 I35I29-S33 VanDerWaalsContact O-CB 3.29Å; I29-S33 WeakPolarHBondContact O-CB 3.45Å; I29-S33 PolarHBondContact O-N 3.03Å; I29-S33 PolarHBondContact O-OG 3.06Å; E31-S33 PolarHBondContact O-N 3.34Å; S33-I35 PolarHBondContact O-N 3.18Å
34L87.6Confident89.5Confident157 Ų15760.5 Ų60.582%0.82232%0.317SS*.THydrogen-bonded Turntrans57.224.9-178.6-54.7175000114.5L30 E31 S32L30-L34 PolarHBondContact O-N 3.33Å; E31-L34 WeakPolarHBondContact O-CA 3.32Å; E31-L34 PolarHBondContact O-N 2.76Å; S32-L34 VanDerWaalsContact C-N 3.29Å
35I88.7Confident89.4Confident29 Ų2957.5 Ų57.515%0.14930%0.304CS..SBendtrans-80.3-36175.7-64.1-60.6000111.1L30 S33 C64 L67 A68 R71L30-I35 HydrophobicContact CB-CB 4.41Å; L30-I35 HydrophobicContact CD2-CB 4.22Å; L30-I35 HydrophobicContact CD2-CG1 4.44Å; L30-I35 HydrophobicContact CD2-CG2 4.17Å; L30-I35 WeakPolarHBondContact O-CB 3.29Å; L30-I35 PolarHBondContact O-N 3.04Å; S33-I35 PolarHBondContact O-N 3.18Å; I35-C64 HydrophobicContact CG2-CB 4.22Å; I35-C64 PolarHBondContact O-SG 2.82Å; I35-L67 HydrophobicContact CD1-CB 4.17Å; I35-A68 HydrophobicContact CG2-CB 3.69Å; I35-R71 HydrophobicContact CD1-CB 4.3Å; I35-R71 HydrophobicContact CD1-CG 3.97Å; I35-R71 HydrophobicContact CG1-CB 3.82Å; I35-R71 HydrophobicContact CG1-CG 3.86Å
36I87.5Confident89.2Confident2 Ų255.1 Ų55.11%0.0130%0.298CS..SBendtrans-119.8150169.963.8176.1000109.1L27 L30 E31 Q40 R41 V60L27-I36 HydrophobicContact CB-CD1 4Å; L27-I36 HydrophobicContact CD2-CD1 3.42Å; L27-I36 VanDerWaalsContact CD2-CD1 3.42Å; L27-I36 HydrophobicContact CG-CD1 4.29Å; L30-I36 HydrophobicContact CB-CD1 3.95Å; L30-I36 HydrophobicContact CB-CG1 3.87Å; L30-I36 PolarHBondContact O-N 3.34Å; E31-I36 HydrophobicContact CB-CD1 4.47Å; E31-I36 HydrophobicContact CB-CG1 4.03Å; I36-Q40 HydrophobicContact CB-CB 4.31Å; I36-R41 HydrophobicContact CD1-CB 4.29Å; I36-V60 HydrophobicContact CG2-CG1 4.32Å
37T84.1Confident88.7Confident77 Ų7755.3 Ų55.347%0.47230%0.3SS..  trans-87.7158.3173.858.10000110.8N39 Q40 R41T37-N39 PolarHBondContact O-N 2.89Å; T37-Q40 WeakPolarHBondContact O-CA 3.34Å; T37-Q40 WeakPolarHBondContact O-CB 3.47Å; T37-Q40 PolarHBondContact O-N 3.44Å; T37-Q40 WeakPolarHBondContact OG1-CG 3.43Å; T37-Q40 PolarHBondContact OG1-N 2.84Å; T37-Q40 PolarHBondContact OG1-OE1 3.46Å; T37-Q40 VanDerWaalsContact OG1-OE1 3.04Å; T37-R41 PolarHBondContact O-N 2.88Å
38E79.7Confident88.2Confident148 Ų14861.4 Ų61.469%0.69234%0.337SS*.Hα-helixtrans-50.8-41.2172.3-170.1180-17600112.2E31 Q40 R41 H42E31-E38 WeakPolarHBondContact OE1-CA 3.33Å; E31-E38 WeakPolarHBondContact OE1-CB 3.37Å; E31-E38 PolarHBondContact OE1-N 2.85Å; E38-Q40 PolarHBondContact O-N 2.92Å; E38-R41 WeakPolarHBondContact O-CB 3.31Å; E38-R41 PolarHBondContact O-N 3.3Å; E38-H42 WeakPolarHBondContact O-CB 3.43Å; E38-H42 PolarHBondContact O-N 3.42Å
39N78.6Confident88.1Confident93 Ų9361.3 Ų61.350%0.49734%0.339SS..Hα-helixtrans-62.4-43.7175.7-77.9-47.7000112.8T37 H42 S43 N265T37-N39 PolarHBondContact O-N 2.89Å; N39-H42 PolarHBondContact O-N 3.11Å; N39-S43 WeakPolarHBondContact O-CB 3.2Å; N39-S43 PolarHBondContact O-N 3.22Å; N39-N265 PolarHBondContact OD1-ND2 2.87Å; N39-N265 VanDerWaalsContact OD1-ND2 3.13Å
40Q85.3Confident88Confident63 Ų6364.1 Ų64.129%0.29435%0.354SS..Hα-helixtrans-64.3-42.7175.6-76.3167.3-42.400110.9I36 T37 E38 S43 I44 V60I36-Q40 HydrophobicContact CB-CB 4.31Å; T37-Q40 WeakPolarHBondContact O-CA 3.34Å; T37-Q40 WeakPolarHBondContact O-CB 3.47Å; T37-Q40 PolarHBondContact O-N 3.44Å; T37-Q40 WeakPolarHBondContact OG1-CG 3.43Å; T37-Q40 PolarHBondContact OG1-N 2.84Å; T37-Q40 PolarHBondContact OG1-OE1 3.46Å; T37-Q40 VanDerWaalsContact OG1-OE1 3.04Å; E38-Q40 PolarHBondContact O-N 2.92Å; Q40-S43 PolarHBondContact O-N 3.18Å; Q40-I44 WeakPolarHBondContact O-CB 3.35Å; Q40-I44 WeakPolarHBondContact O-CD1 3.49Å; Q40-I44 WeakPolarHBondContact O-CG1 3.3Å; Q40-I44 PolarHBondContact O-N 2.89Å; Q40-V60 HydrophobicContact CB-CG1 4.1Å; Q40-V60 HydrophobicContact CG-CG1 4.02Å
41R87.9Confident87.9Confident41 Ų4165.6 Ų65.616%0.15537%0.366CS..Hα-helixtrans-57.8-50.1174.8175.5177-176.3156.95.9111.6L27 D28 E31 I36 T37 E38 S43 I44 L45L27-R41 HydrophobicContact CB-CG 4.14Å; L27-R41 HydrophobicContact CD1-CG 4.21Å; D28-R41 IonicContact OD1-CZ 3.95Å; D28-R41 IonicContact OD1-NH1 2.67Å; D28-R41 PolarHBondContact OD1-NH1 2.73Å; D28-R41 IonicContact OD1-NH2 3.85Å; D28-R41 PolarHBondContact OD1-NH2 3.36Å; D28-R41 IonicContact OD2-NH2 3.44Å; D28-R41 PolarHBondContact OD2-NH2 3.35Å; D28-R41 VanDerWaalsContact OD2-NH2 3.15Å; E31-R41 WeakPolarHBondContact OE2-CD 3.34Å; E31-R41 IonicContact OE2-CZ 3.15Å; E31-R41 IonicContact OE2-NE 2.64Å; E31-R41 IonicContact OE2-NH1 2.7Å; E31-R41 PolarHBondContact OE2-NH1 3.23Å; I36-R41 HydrophobicContact CD1-CB 4.29Å; T37-R41 PolarHBondContact O-N 2.88Å; E38-R41 WeakPolarHBondContact O-CB 3.31Å; E38-R41 PolarHBondContact O-N 3.3Å; R41-S43 VanDerWaalsContact C-N 3.32Å; R41-S43 PolarHBondContact O-N 3.45Å; R41-I44 WeakPolarHBondContact O-CB 3.3Å; R41-I44 PolarHBondContact O-N 3.5Å; R41-I44 VanDerWaalsContact O-N 3.17Å; R41-L45 HydrophobicContact CG-CD1 3.92Å; R41-L45 HydrophobicContact CG-CG 4.34Å; R41-L45 WeakPolarHBondContact O-CG 3.35Å; R41-L45 PolarHBondContact O-N 2.85Å
42H87Confident88.1Confident132 Ų13266.1 Ų66.161%0.61137%0.369SS*.Hα-helixtrans-62.5-40.3-180-164.5-109.4000111.7E38 N39 I44 L45 S46E38-H42 WeakPolarHBondContact O-CB 3.43Å; E38-H42 PolarHBondContact O-N 3.42Å; N39-H42 PolarHBondContact O-N 3.11Å; H42-I44 VanDerWaalsContact C-N 3.34Å; H42-I44 PolarHBondContact O-N 3.08Å; H42-L45 PolarHBondContact O-N 3.26Å; H42-S46 WeakPolarHBondContact O-CB 3.41Å; H42-S46 PolarHBondContact O-N 3.29Å
43S86.1Confident88.3Confident44 Ų4463.6 Ų63.631%0.30835%0.346SS..Hα-helixtrans-60.9-41.2174.3-174.70000112.6N39 Q40 R41 S46 R56N39-S43 WeakPolarHBondContact O-CB 3.2Å; N39-S43 PolarHBondContact O-N 3.22Å; Q40-S43 PolarHBondContact O-N 3.18Å; R41-S43 VanDerWaalsContact C-N 3.32Å; R41-S43 PolarHBondContact O-N 3.45Å; S43-S46 PolarHBondContact O-OG 2.87Å; S43-R56 PolarHBondContact O-NH1 3.37Å
44I90.4Very high88.6Confident0 Ų061.5 Ų61.50%033%0.331CS..Hα-helixtrans-64.6-50.1175.3-69.6162.6000110.7L23 L27 Q40 R41 H42 S46 G47 K53 R56 F57 V60L23-I44 HydrophobicContact CD2-CG2 4.01Å; L27-I44 HydrophobicContact CD1-CB 4.25Å; L27-I44 HydrophobicContact CD1-CG2 3.65Å; L27-I44 HydrophobicContact CD2-CD1 3.79Å; L27-I44 HydrophobicContact CD2-CG2 4.24Å; Q40-I44 WeakPolarHBondContact O-CB 3.35Å; Q40-I44 WeakPolarHBondContact O-CD1 3.49Å; Q40-I44 WeakPolarHBondContact O-CG1 3.3Å; Q40-I44 PolarHBondContact O-N 2.89Å; R41-I44 WeakPolarHBondContact O-CB 3.3Å; R41-I44 PolarHBondContact O-N 3.5Å; R41-I44 VanDerWaalsContact O-N 3.17Å; H42-I44 VanDerWaalsContact C-N 3.34Å; H42-I44 PolarHBondContact O-N 3.08Å; I44-S46 PolarHBondContact O-N 3.31Å; I44-G47 PolarHBondContact O-N 3Å; I44-K53 WeakPolarHBondContact CG2-O 3.39Å; I44-K53 WeakPolarHBondContact O-CB 3.31Å; I44-K53 WeakPolarHBondContact O-CG 3.46Å; I44-R56 HydrophobicContact CG1-CB 4.4Å; I44-F57 HydrophobicContact CD1-CB 4.17Å; I44-F57 HydrophobicContact CD1-CD2 4.08Å; I44-F57 HydrophobicContact CG1-CB 4.32Å; I44-F57 HydrophobicContact CG2-CB 3.81Å; I44-V60 HydrophobicContact CD1-CB 4.18Å; I44-V60 HydrophobicContact CD1-CG1 4.29Å; I44-V60 HydrophobicContact CD1-CG2 4.22Å; I44-V60 HydrophobicContact CG1-CG2 4.2Å
45L92Very high88.9Confident40 Ų4059.7 Ų59.721%0.20931%0.313CS..Hα-helixtrans-68.6-19.5-178-67.8-179.4000113.7E24 L27 R41 H42 G47 K53E24-L45 HydrophobicContact CG-CD2 3.77Å; L27-L45 HydrophobicContact CD1-CD2 3.71Å; L27-L45 HydrophobicContact CD1-CG 3.92Å; R41-L45 HydrophobicContact CG-CD1 3.92Å; R41-L45 HydrophobicContact CG-CG 4.34Å; R41-L45 WeakPolarHBondContact O-CG 3.35Å; R41-L45 PolarHBondContact O-N 2.85Å; H42-L45 PolarHBondContact O-N 3.26Å; L45-G47 PolarHBondContact O-N 3.37Å; L45-K53 HydrophobicContact CD2-CD 4.42Å; L45-K53 WeakPolarHBondContact O-CE 3.43Å; L45-K53 PolarHBondContact O-NZ 2.85Å
46S90.7Very high89.1Confident46 Ų4661.9 Ų61.932%0.32232%0.32SS..THydrogen-bonded Turntrans-71.9-4.5174.373.50000114.6H42 S43 I44 R56H42-S46 WeakPolarHBondContact O-CB 3.41Å; H42-S46 PolarHBondContact O-N 3.29Å; S43-S46 PolarHBondContact O-OG 2.87Å; I44-S46 PolarHBondContact O-N 3.31Å; S46-R56 PolarHBondContact OG-NH1 3.02Å
47G85.8Confident89.5Confident4 Ų461.8 Ų61.84%0.04132%0.319CS..  trans-63.4141.1169.400000111.4I44 L45 K53I44-G47 PolarHBondContact O-N 3Å; L45-G47 PolarHBondContact O-N 3.37Å; G47-K53 WeakPolarHBondContact O-CE 3.37Å; G47-K53 WeakPolarHBondContact O-CG 3.48Å
48V87.1Confident89.9Confident127 Ų12758.1 Ų58.177%0.7730%0.297SS*.SBendtrans-73.7-43.4-172.9-179.40000111E52V48-E52 PolarHBondContact N-OE2 3.33Å
49T92.9Very high90.4Very high75 Ų7553.9 Ų53.946%0.4628%0.279SS..SBendtrans-106.3151.6179.964.20000110.6A51 E52 K53T49-A51 PolarHBondContact O-N 3.05Å; T49-E52 WeakPolarHBondContact O-CA 3.39Å; T49-E52 WeakPolarHBondContact O-CB 3.37Å; T49-E52 PolarHBondContact O-N 3.24Å; T49-E52 WeakPolarHBondContact OG1-CB 3.41Å; T49-E52 PolarHBondContact OG1-N 2.87Å; T49-K53 WeakPolarHBondContact O-CG 2.82Å; T49-K53 PolarHBondContact O-N 3.02Å
50L91.9Very high90.8Very high85 Ų8550.7 Ų50.745%0.44526%0.263SS..Hα-helixtrans-53-42.4175.3179.860.1000111.7L23 E52 K53 I54L23-L50 HydrophobicContact CB-CD1 4.16Å; L50-E52 VanDerWaalsContact C-N 3.33Å; L50-E52 PolarHBondContact O-N 3.23Å; L50-K53 PolarHBondContact O-N 3.11Å; L50-I54 HydrophobicContact CD1-CD1 4.16Å; L50-I54 HydrophobicContact CD1-CG1 4.3Å; L50-I54 HydrophobicContact CG-CD1 3.88Å; L50-I54 HydrophobicContact CG-CG1 4.48Å; L50-I54 WeakPolarHBondContact O-CD1 3.31Å; L50-I54 VanDerWaalsContact O-CG1 3.25Å; L50-I54 WeakPolarHBondContact O-CG1 3.4Å; L50-I54 PolarHBondContact O-N 3.43Å
51A93.6Very high91Very high31 Ų3147.7 Ų47.726%0.25625%0.249SC..Hα-helixtrans-61.2-3817600000113.1V17 T49 R55V17-A51 HydrophobicContact CG1-CB 3.83Å; T49-A51 PolarHBondContact O-N 3.05Å; A51-R55 WeakPolarHBondContact O-CG 3.41Å; A51-R55 PolarHBondContact O-N 2.97Å; A51-R55 PolarHBondContact O-NH1 2.91Å
52E92.5Very high91Very high56 Ų5647.1 Ų47.126%0.26225%0.25SC..Hα-helixtrans-67.9-45174.4-168.5-172.4169.200111.7V48 T49 L50 I54 R55 R56V48-E52 PolarHBondContact N-OE2 3.33Å; T49-E52 WeakPolarHBondContact O-CA 3.39Å; T49-E52 WeakPolarHBondContact O-CB 3.37Å; T49-E52 PolarHBondContact O-N 3.24Å; T49-E52 WeakPolarHBondContact OG1-CB 3.41Å; T49-E52 PolarHBondContact OG1-N 2.87Å; L50-E52 VanDerWaalsContact C-N 3.33Å; L50-E52 PolarHBondContact O-N 3.23Å; E52-I54 VanDerWaalsContact C-N 3.29Å; E52-I54 PolarHBondContact O-N 2.89Å; E52-R55 PolarHBondContact O-N 3.38Å; E52-R55 VanDerWaalsContact O-N 3.15Å; E52-R56 WeakPolarHBondContact O-CG 3.16Å; E52-R56 PolarHBondContact O-N 3.32Å; E52-R56 IonicContact OE1-CZ 3.76Å; E52-R56 IonicContact OE1-NE 3.99Å; E52-R56 PolarHBondContact OE1-NE 3.37Å; E52-R56 IonicContact OE1-NH2 3.98Å; E52-R56 PolarHBondContact OE1-NH2 3.35Å
53K95.5Very high90.9Very high40 Ų4050.4 Ų50.417%0.17426%0.257CS..Hα-helixtrans-55.6-46.1174.4-60.6-177.4-178.4-168.30110.6L23 E24 I44 L45 G47 T49 L50 R55 R56 F57L23-K53 HydrophobicContact CD2-CB 3.53Å; E24-K53 IonicContact OE1-NZ 3.65Å; I44-K53 WeakPolarHBondContact CG2-O 3.39Å; I44-K53 WeakPolarHBondContact O-CB 3.31Å; I44-K53 WeakPolarHBondContact O-CG 3.46Å; L45-K53 HydrophobicContact CD2-CD 4.42Å; L45-K53 WeakPolarHBondContact O-CE 3.43Å; L45-K53 PolarHBondContact O-NZ 2.85Å; G47-K53 WeakPolarHBondContact O-CE 3.37Å; G47-K53 WeakPolarHBondContact O-CG 3.48Å; T49-K53 WeakPolarHBondContact O-CG 2.82Å; T49-K53 PolarHBondContact O-N 3.02Å; L50-K53 PolarHBondContact O-N 3.11Å; K53-R55 PolarHBondContact O-N 3.33Å; K53-R56 PolarHBondContact O-N 3Å; K53-F57 WeakPolarHBondContact O-CB 3.41Å; K53-F57 PolarHBondContact O-N 3.19Å
54I95.3Very high90.6Very high1 Ų148.9 Ų48.91%0.00525%0.246CC..Hα-helixtrans-64.3-41.3177.6-60.4158.2000111.6V17 I20 L23 L50 E52 R56 F57 L58V17-I54 HydrophobicContact CB-CG2 4.38Å; V17-I54 HydrophobicContact CG2-CB 4.48Å; V17-I54 HydrophobicContact CG2-CG2 3.98Å; V17-I54 WeakPolarHBondContact O-CD1 3.03Å; I20-I54 HydrophobicContact CB-CD1 3.89Å; I20-I54 HydrophobicContact CB-CG1 4.2Å; I20-I54 HydrophobicContact CB-CG2 4.45Å; I20-I54 HydrophobicContact CD1-CG2 3.95Å; I20-I54 HydrophobicContact CG2-CD1 4.23Å; I20-I54 HydrophobicContact CG2-CG1 4.16Å; I20-I54 VanDerWaalsContact O-CD1 3.27Å; I20-I54 WeakPolarHBondContact O-CD1 3.33Å; L23-I54 HydrophobicContact CD2-CG1 3.96Å; L50-I54 HydrophobicContact CD1-CD1 4.16Å; L50-I54 HydrophobicContact CD1-CG1 4.3Å; L50-I54 HydrophobicContact CG-CD1 3.88Å; L50-I54 HydrophobicContact CG-CG1 4.48Å; L50-I54 WeakPolarHBondContact O-CD1 3.31Å; L50-I54 VanDerWaalsContact O-CG1 3.25Å; L50-I54 WeakPolarHBondContact O-CG1 3.4Å; L50-I54 PolarHBondContact O-N 3.43Å; E52-I54 VanDerWaalsContact C-N 3.29Å; E52-I54 PolarHBondContact O-N 2.89Å; I54-R56 VanDerWaalsContact C-N 3.33Å; I54-R56 PolarHBondContact O-N 3.49Å; I54-F57 WeakPolarHBondContact O-CB 3.45Å; I54-F57 PolarHBondContact O-N 3.42Å; I54-L58 HydrophobicContact CG2-CD1 4.13Å; I54-L58 HydrophobicContact CG2-CG 4.2Å; I54-L58 VanDerWaalsContact O-CG 3.31Å; I54-L58 WeakPolarHBondContact O-CG 3.42Å; I54-L58 PolarHBondContact O-N 2.94Å
55R93.8Very high90.1Very high119 Ų11951 Ų5145%0.44927%0.268SS..Hα-helixtrans-59.9-43.5176.9-75.2-179.5-160.4102.2-2.7112.1R13 V17 A51 E52 K53 L58 D59R13-R55 PolarHBondContact NH2-O 2.75Å; R13-R55 VanDerWaalsContact NH2-O 3.13Å; V17-R55 HydrophobicContact CG1-CG 4.19Å; V17-R55 HydrophobicContact CG2-CG 3.66Å; A51-R55 WeakPolarHBondContact O-CG 3.41Å; A51-R55 PolarHBondContact O-N 2.97Å; A51-R55 PolarHBondContact O-NH1 2.91Å; E52-R55 PolarHBondContact O-N 3.38Å; E52-R55 VanDerWaalsContact O-N 3.15Å; K53-R55 PolarHBondContact O-N 3.33Å; R55-L58 PolarHBondContact O-N 3.01Å; R55-D59 PolarHBondContact O-N 2.97Å; R55-D59 VanDerWaalsContact O-N 3.08Å
56R92.9Very high89.7Confident75 Ų7553.2 Ų53.228%0.28328%0.284SS..Hα-helixtrans-63.1-45.5175.8-67.9178-178-154.96.6111.1S43 I44 S46 E52 K53 I54 L58 D59 V60S43-R56 PolarHBondContact O-NH1 3.37Å; I44-R56 HydrophobicContact CG1-CB 4.4Å; S46-R56 PolarHBondContact OG-NH1 3.02Å; E52-R56 WeakPolarHBondContact O-CG 3.16Å; E52-R56 PolarHBondContact O-N 3.32Å; E52-R56 IonicContact OE1-CZ 3.76Å; E52-R56 IonicContact OE1-NE 3.99Å; E52-R56 PolarHBondContact OE1-NE 3.37Å; E52-R56 IonicContact OE1-NH2 3.98Å; E52-R56 PolarHBondContact OE1-NH2 3.35Å; K53-R56 PolarHBondContact O-N 3Å; I54-R56 VanDerWaalsContact C-N 3.33Å; I54-R56 PolarHBondContact O-N 3.49Å; R56-L58 VanDerWaalsContact C-N 3.35Å; R56-L58 PolarHBondContact O-N 3.4Å; R56-D59 PolarHBondContact O-N 3.31Å; R56-D59 VanDerWaalsContact O-N 3.14Å; R56-V60 WeakPolarHBondContact O-CG2 3.22Å; R56-V60 PolarHBondContact O-N 3.23Å
57F96.1Very high89.5Confident0 Ų056.5 Ų56.50%030%0.298CS..Hα-helixtrans-54.6-49.4174.1165.9-113.1000112I20 L23 I26 L27 L30 I44 K53 I54 D59 V60 I61 F72I20-F57 HydrophobicContact CD1-CE1 4.41Å; L23-F57 HydrophobicContact CD1-CB 3.97Å; L23-F57 HydrophobicContact CD1-CD1 3.78Å; L23-F57 HydrophobicContact CD1-CD2 4.24Å; L23-F57 HydrophobicContact CD1-CE1 4.33Å; L23-F57 HydrophobicContact CD1-CG 3.72Å; I26-F57 HydrophobicContact CG2-CE2 4.41Å; I26-F57 HydrophobicContact CG2-CZ 4.03Å; L27-F57 HydrophobicContact CD2-CD2 3.63Å; L27-F57 HydrophobicContact CD2-CE2 4Å; L27-F57 HydrophobicContact CD2-CG 4.5Å; L30-F57 HydrophobicContact CD1-CE2 3.57Å; L30-F57 HydrophobicContact CD1-CZ 3.9Å; I44-F57 HydrophobicContact CD1-CB 4.17Å; I44-F57 HydrophobicContact CD1-CD2 4.08Å; I44-F57 HydrophobicContact CG1-CB 4.32Å; I44-F57 HydrophobicContact CG2-CB 3.81Å; K53-F57 WeakPolarHBondContact O-CB 3.41Å; K53-F57 PolarHBondContact O-N 3.19Å; I54-F57 WeakPolarHBondContact O-CB 3.45Å; I54-F57 PolarHBondContact O-N 3.42Å; F57-D59 VanDerWaalsContact C-N 3.27Å; F57-D59 PolarHBondContact O-N 3.03Å; F57-V60 PolarHBondContact O-N 2.52Å; F57-V60 VanDerWaalsContact O-N 3.14Å; F57-I61 HydrophobicContact CE2-CB 4.21Å; F57-I61 HydrophobicContact CE2-CD1 3.65Å; F57-I61 HydrophobicContact CE2-CG1 4.49Å; F57-I61 HydrophobicContact CZ-CB 4.43Å; F57-I61 HydrophobicContact CZ-CD1 3.5Å; F57-I61 VanDerWaalsContact CZ-CD1 3.5Å; F57-I61 PolarHBondContact O-N 2.81Å; F57-F72 HydrophobicContact CE1-CD2 4.11Å; F57-F72 AromaticContact CE1-CE2 3.53Å; F57-F72 HydrophobicContact CE1-CE2 3.53Å; F57-F72 AromaticContact CE1-CZ 3.89Å; F57-F72 HydrophobicContact CE1-CZ 3.89Å; F57-F72 AromaticContact CZ-CD2 3.62Å; F57-F72 HydrophobicContact CZ-CD2 3.62Å; F57-F72 AromaticContact CZ-CE2 3.53Å; F57-F72 HydrophobicContact CZ-CE2 3.53Å; F57-F72 HydrophobicContact CZ-CG 4.42Å; F57-F72 HydrophobicContact CZ-CZ 4.24Å
58L93.5Very high89.7Confident0 Ų056.3 Ų56.30%030%0.296CS..Hα-helixtrans-64.6-29.8179.1-64.8178.5000112.9I9 R13 L16 V17 I54 R55 R56 V62I9-L58 HydrophobicContact CG2-CD2 4.07Å; R13-L58 HydrophobicContact CG-CD1 3.92Å; L16-L58 HydrophobicContact CB-CD1 3.88Å; L16-L58 HydrophobicContact CB-CD2 4.43Å; L16-L58 HydrophobicContact CD1-CD1 4.25Å; L16-L58 HydrophobicContact CD1-CD2 3.85Å; V17-L58 HydrophobicContact CG2-CD1 3.88Å; I54-L58 HydrophobicContact CG2-CD1 4.13Å; I54-L58 HydrophobicContact CG2-CG 4.2Å; I54-L58 VanDerWaalsContact O-CG 3.31Å; I54-L58 WeakPolarHBondContact O-CG 3.42Å; I54-L58 PolarHBondContact O-N 2.94Å; R55-L58 PolarHBondContact O-N 3.01Å; R56-L58 VanDerWaalsContact C-N 3.35Å; R56-L58 PolarHBondContact O-N 3.4Å; L58-V62 WeakPolarHBondContact O-CG1 3.2Å; L58-V62 WeakPolarHBondContact O-CG2 3.37Å
59D89.1Confident90.1Very high59 Ų5950.3 Ų50.332%0.31626%0.259SS..Hα-helixtrans-74.3-30.9174.6-69.7-30.2000113.1R13 R55 R56 F57 V62 R63R13-D59 IonicContact CZ-OD1 2.94Å; R13-D59 IonicContact NH1-OD1 2.81Å; R13-D59 PolarHBondContact NH1-OD1 3Å; R13-D59 IonicContact NH2-OD1 3.57Å; R13-D59 PolarHBondContact NH2-OD1 2.78Å; R13-D59 IonicContact NH2-OD2 2.72Å; R13-D59 PolarHBondContact NH2-OD2 3.47Å; R55-D59 PolarHBondContact O-N 2.97Å; R55-D59 VanDerWaalsContact O-N 3.08Å; R56-D59 PolarHBondContact O-N 3.31Å; R56-D59 VanDerWaalsContact O-N 3.14Å; F57-D59 VanDerWaalsContact C-N 3.27Å; F57-D59 PolarHBondContact O-N 3.03Å; D59-V62 WeakPolarHBondContact O-CG2 3.43Å; D59-R63 WeakPolarHBondContact O-CD 3.23Å; D59-R63 WeakPolarHBondContact O-CG 3.25Å; D59-R63 PolarHBondContact O-NE 3.25Å
60V87.1Confident90.1Very high26 Ų2650.6 Ų50.616%0.15826%0.258CS..Hα-helixtrans-75.9-51.3176.2170.20000110.4I36 Q40 I44 R56 F57 V62 R63 C64I36-V60 HydrophobicContact CG2-CG1 4.32Å; Q40-V60 HydrophobicContact CB-CG1 4.1Å; Q40-V60 HydrophobicContact CG-CG1 4.02Å; I44-V60 HydrophobicContact CD1-CB 4.18Å; I44-V60 HydrophobicContact CD1-CG1 4.29Å; I44-V60 HydrophobicContact CD1-CG2 4.22Å; I44-V60 HydrophobicContact CG1-CG2 4.2Å; R56-V60 WeakPolarHBondContact O-CG2 3.22Å; R56-V60 PolarHBondContact O-N 3.23Å; F57-V60 PolarHBondContact O-N 2.52Å; F57-V60 VanDerWaalsContact O-N 3.14Å; V60-V62 VanDerWaalsContact C-N 3.3Å; V60-V62 PolarHBondContact O-N 3Å; V60-R63 WeakPolarHBondContact O-CA 3.5Å; V60-R63 WeakPolarHBondContact O-CB 3.24Å; V60-R63 PolarHBondContact O-N 2.89Å; V60-C64 PolarHBondContact O-N 2.98Å; V60-C64 PolarHBondContact O-SG 2.86Å
61I90.2Very high90.2Very high0 Ų051.6 Ų51.60%026%0.256CS..Hα-helixtrans-64.3-33.2-168.8-160.5158.5000113.4M1 I9 L30 F57 R63 C64 A68 F72M1-I61 HydrophobicContact CE-CG1 4.1Å; M1-I61 VanDerWaalsContact CE-O 3.25Å; M1-I61 WeakPolarHBondContact CE-O 3.36Å; I9-I61 HydrophobicContact CD1-CG2 4.08Å; L30-I61 HydrophobicContact CD1-CD1 3.79Å; F57-I61 HydrophobicContact CE2-CB 4.21Å; F57-I61 HydrophobicContact CE2-CD1 3.65Å; F57-I61 HydrophobicContact CE2-CG1 4.49Å; F57-I61 HydrophobicContact CZ-CB 4.43Å; F57-I61 HydrophobicContact CZ-CD1 3.5Å; F57-I61 VanDerWaalsContact CZ-CD1 3.5Å; F57-I61 PolarHBondContact O-N 2.81Å; I61-R63 PolarHBondContact O-N 2.97Å; I61-C64 WeakPolarHBondContact O-CB 3.45Å; I61-C64 PolarHBondContact O-N 3.36Å; I61-C64 VanDerWaalsContact O-N 3.11Å; I61-A68 HydrophobicContact CG1-CB 4.34Å; I61-F72 HydrophobicContact CD1-CB 3.58Å; I61-F72 HydrophobicContact CD1-CD1 4.36Å; I61-F72 HydrophobicContact CD1-CD2 4.03Å; I61-F72 HydrophobicContact CD1-CG 3.72Å
62V88.5Confident90.4Very high30 Ų3050.1 Ų50.118%0.18224%0.244CC..THydrogen-bonded Turntrans-66.6-19.1176.1-64.50000113.4M1 R6 I9 L58 D59 V60M1-V62 HydrophobicContact SD-CG1 4.28Å; R6-V62 HydrophobicContact CG-CB 4.09Å; R6-V62 HydrophobicContact CG-CG1 4.38Å; I9-V62 HydrophobicContact CB-CG1 4.21Å; I9-V62 HydrophobicContact CD1-CG1 3.99Å; I9-V62 HydrophobicContact CG2-CG1 3.88Å; L58-V62 WeakPolarHBondContact O-CG1 3.2Å; L58-V62 WeakPolarHBondContact O-CG2 3.37Å; D59-V62 WeakPolarHBondContact O-CG2 3.43Å; V60-V62 VanDerWaalsContact C-N 3.3Å; V60-V62 PolarHBondContact O-N 3Å
63R83.9Confident90.6Very high201 Ų20148.6 Ų48.676%0.75824%0.236SC*.THydrogen-bonded Turntrans-94.2-13.9176.2-54.7177.5-156.2-1680112.2D59 V60 I61D59-R63 WeakPolarHBondContact O-CD 3.23Å; D59-R63 WeakPolarHBondContact O-CG 3.25Å; D59-R63 PolarHBondContact O-NE 3.25Å; V60-R63 WeakPolarHBondContact O-CA 3.5Å; V60-R63 WeakPolarHBondContact O-CB 3.24Å; V60-R63 PolarHBondContact O-N 2.89Å; I61-R63 PolarHBondContact O-N 2.97Å
64C80.1Confident90.5Very high11 Ų1150.2 Ų50.27%0.07425%0.245CC..SBendtrans-68.9158.9173.4-63.40000110.3M1 I35 V60 I61 A68M1-C64 PolarHBondContact N-O 3.16Å; I35-C64 HydrophobicContact CG2-CB 4.22Å; I35-C64 PolarHBondContact O-SG 2.82Å; V60-C64 PolarHBondContact O-N 2.98Å; V60-C64 PolarHBondContact O-SG 2.86Å; I61-C64 WeakPolarHBondContact O-CB 3.45Å; I61-C64 PolarHBondContact O-N 3.36Å; I61-C64 VanDerWaalsContact O-N 3.11Å; C64-A68 HydrophobicContact CB-CB 3.4Å
65G80.4Confident90.5Very high44 Ų4450.2 Ų50.245%0.45425%0.245SC..  trans-57.1-178.5-171.400000115.8M1 L67 A68M1-G65 WeakPolarHBondContact CA-O 3.46Å; M1-G65 PolarHBondContact N-O 3.42Å; G65-L67 PolarHBondContact O-N 2.83Å; G65-A68 WeakPolarHBondContact O-CB 3.43Å; G65-A68 PolarHBondContact O-N 3.08Å; G65-A68 VanDerWaalsContact O-N 3.17Å
66P83.2Confident90.7Very high87 Ų8744.5 Ų44.557%0.56522%0.223SC*.THydrogen-bonded Turntrans-56-37-176.721.4-31.7000113A68P66-A68 VanDerWaalsContact C-N 3.27Å; P66-A68 PolarHBondContact O-N 3.36Å
67L86.3Confident90.7Very high116 Ų11644.4 Ų44.461%0.60723%0.228SC*.THydrogen-bonded Turntrans-73.5-9.1-178.7-56.1177.6000115.2I35 G65 Y69 R71I35-L67 HydrophobicContact CD1-CB 4.17Å; G65-L67 PolarHBondContact O-N 2.83Å; L67-Y69 VanDerWaalsContact C-N 3.27Å; L67-Y69 PolarHBondContact O-N 3.19Å; L67-R71 WeakPolarHBondContact O-CG 3.5Å; L67-R71 PolarHBondContact O-N 3.46Å
68A89.9Confident90.6Very high0 Ų049.2 Ų49.20%025%0.25CS..Hα-helixtrans-65.6-31.7-171.400000113.2M1 I35 I61 C64 G65 P66 F72M1-A68 HydrophobicContact CE-CB 4.13Å; I35-A68 HydrophobicContact CG2-CB 3.69Å; I61-A68 HydrophobicContact CG1-CB 4.34Å; C64-A68 HydrophobicContact CB-CB 3.4Å; G65-A68 WeakPolarHBondContact O-CB 3.43Å; G65-A68 PolarHBondContact O-N 3.08Å; G65-A68 VanDerWaalsContact O-N 3.17Å; P66-A68 VanDerWaalsContact C-N 3.27Å; P66-A68 PolarHBondContact O-N 3.36Å; A68-F72 WeakPolarHBondContact O-CB 3.45Å; A68-F72 PolarHBondContact O-N 3.33Å; A68-F72 VanDerWaalsContact O-N 3.08Å
69Y94.7Very high90.7Very high0 Ų049.2 Ų49.20%025%0.25CS..Hα-helixtrans-72.1-49-177.4-171.1-114.3000112.3M1 H5 V8 I9 L67 R71 F72 K73 E92M1-Y69 HydrophobicContact CE-CD2 4.11Å; M1-Y69 HydrophobicContact SD-CD2 4.19Å; H5-Y69 HydrophobicContact CB-CD1 3.78Å; H5-Y69 HydrophobicContact CB-CD2 3.81Å; H5-Y69 HydrophobicContact CB-CE1 4.09Å; H5-Y69 HydrophobicContact CB-CE2 4.17Å; H5-Y69 HydrophobicContact CB-CG 3.6Å; H5-Y69 AromaticContact CD2-CD1 3.29Å; H5-Y69 WeakPolarHBondContact CD2-CD1 3.37Å; H5-Y69 AromaticContact CD2-CE1 3.27Å; H5-Y69 WeakPolarHBondContact CD2-CE1 3.37Å; H5-Y69 AromaticContact CE1-CD1 3.83Å; H5-Y69 AromaticContact CG-CD1 3.27Å; H5-Y69 AromaticContact CG-CE1 3.67Å; H5-Y69 AromaticContact CG-CG 3.58Å; H5-Y69 AromaticContact ND1-CD1 3.6Å; H5-Y69 AromaticContact ND1-CG 3.9Å; H5-Y69 AromaticContact NE2-CD1 3.66Å; H5-Y69 AromaticContact NE2-CE1 3.84Å; V8-Y69 WeakPolarHBondContact CG1-OH 3.32Å; I9-Y69 HydrophobicContact CD1-CD2 4Å; I9-Y69 HydrophobicContact CD1-CE2 4.12Å; I9-Y69 HydrophobicContact CG1-CD2 4.37Å; I9-Y69 HydrophobicContact CG1-CE2 3.98Å; L67-Y69 VanDerWaalsContact C-N 3.27Å; L67-Y69 PolarHBondContact O-N 3.19Å; Y69-R71 VanDerWaalsContact C-N 3.32Å; Y69-R71 PolarHBondContact O-N 3.01Å; Y69-F72 WeakPolarHBondContact O-CB 3.32Å; Y69-F72 PolarHBondContact O-N 3.06Å; Y69-F72 VanDerWaalsContact O-N 3.11Å; Y69-K73 HydrophobicContact CE1-CD 4.07Å; Y69-K73 HydrophobicContact CE1-CG 4.5Å; Y69-K73 PolarHBondContact O-N 3.34Å; Y69-E92 WeakPolarHBondContact CE1-OE1 3.45Å; Y69-E92 PolarHBondContact OH-OE1 2.95Å
70D93.1Very high90.9Very high82 Ų8253.3 Ų53.344%0.43927%0.272SS..Hα-helixtrans-63.9-39.8-179.9-58.2-43.8000111.7F72 K73 Q74D70-F72 VanDerWaalsContact C-N 3.32Å; D70-F72 PolarHBondContact O-N 2.78Å; D70-K73 PolarHBondContact O-N 2.94Å; D70-Q74 PolarHBondContact O-N 2.89Å
71R94.8Very high91.2Very high105 Ų10552.5 Ų52.540%0.39627%0.267SS..Hα-helixtrans-65.8-34.7174.6-68.4-59.9-172.5177.75.5112.6L30 I35 L67 Y69 Q74 A75L30-R71 HydrophobicContact CD2-CB 3.94Å; I35-R71 HydrophobicContact CD1-CB 4.3Å; I35-R71 HydrophobicContact CD1-CG 3.97Å; I35-R71 HydrophobicContact CG1-CB 3.82Å; I35-R71 HydrophobicContact CG1-CG 3.86Å; L67-R71 WeakPolarHBondContact O-CG 3.5Å; L67-R71 PolarHBondContact O-N 3.46Å; Y69-R71 VanDerWaalsContact C-N 3.32Å; Y69-R71 PolarHBondContact O-N 3.01Å; R71-Q74 PolarHBondContact O-N 3.43Å; R71-A75 WeakPolarHBondContact O-CB 3.49Å; R71-A75 PolarHBondContact O-N 2.78Å
72F97Very high91.2Very high0 Ų058.5 Ų58.50%029%0.293CS..Hα-helixtrans-62.9-45.4171.5177.7-134.1000111.9I20 I26 F57 I61 A68 Y69 D70 Q74 A75 L76 L88I20-F72 HydrophobicContact CD1-CZ 4.18Å; I26-F72 HydrophobicContact CG2-CD2 4.17Å; I26-F72 HydrophobicContact CG2-CE2 4.25Å; F57-F72 HydrophobicContact CE1-CD2 4.11Å; F57-F72 AromaticContact CE1-CE2 3.53Å; F57-F72 HydrophobicContact CE1-CE2 3.53Å; F57-F72 AromaticContact CE1-CZ 3.89Å; F57-F72 HydrophobicContact CE1-CZ 3.89Å; F57-F72 AromaticContact CZ-CD2 3.62Å; F57-F72 HydrophobicContact CZ-CD2 3.62Å; F57-F72 AromaticContact CZ-CE2 3.53Å; F57-F72 HydrophobicContact CZ-CE2 3.53Å; F57-F72 HydrophobicContact CZ-CG 4.42Å; F57-F72 HydrophobicContact CZ-CZ 4.24Å; I61-F72 HydrophobicContact CD1-CB 3.58Å; I61-F72 HydrophobicContact CD1-CD1 4.36Å; I61-F72 HydrophobicContact CD1-CD2 4.03Å; I61-F72 HydrophobicContact CD1-CG 3.72Å; A68-F72 WeakPolarHBondContact O-CB 3.45Å; A68-F72 PolarHBondContact O-N 3.33Å; A68-F72 VanDerWaalsContact O-N 3.08Å; Y69-F72 WeakPolarHBondContact O-CB 3.32Å; Y69-F72 PolarHBondContact O-N 3.06Å; Y69-F72 VanDerWaalsContact O-N 3.11Å; D70-F72 VanDerWaalsContact C-N 3.32Å; D70-F72 PolarHBondContact O-N 2.78Å; F72-Q74 VanDerWaalsContact C-N 3.32Å; F72-Q74 PolarHBondContact O-N 2.96Å; F72-A75 PolarHBondContact O-N 3.19Å; F72-L76 HydrophobicContact CD2-CD1 4.48Å; F72-L76 HydrophobicContact CD2-CG 4.29Å; F72-L76 HydrophobicContact CE1-CD1 4.07Å; F72-L76 HydrophobicContact CE2-CD1 4.04Å; F72-L76 HydrophobicContact CE2-CD2 3.94Å; F72-L76 HydrophobicContact CE2-CG 3.88Å; F72-L76 HydrophobicContact CZ-CD1 3.82Å; F72-L76 HydrophobicContact CZ-CD2 4.17Å; F72-L76 HydrophobicContact CZ-CG 4.16Å; F72-L76 WeakPolarHBondContact O-CG 3.42Å; F72-L76 PolarHBondContact O-N 3.32Å; F72-L88 HydrophobicContact CE1-CD1 4.08Å
73K96.2Very high91.4Very high24 Ų2461.1 Ų61.110%0.10431%0.312CS..Hα-helixtrans-59.2-44.3175.5-66.6-156.4-64.2-173.70111.5Y69 D70 L76 L77 Y85 L88 N89 E92Y69-K73 HydrophobicContact CE1-CD 4.07Å; Y69-K73 HydrophobicContact CE1-CG 4.5Å; Y69-K73 PolarHBondContact O-N 3.34Å; D70-K73 PolarHBondContact O-N 2.94Å; K73-L76 WeakPolarHBondContact O-CB 3.1Å; K73-L76 PolarHBondContact O-N 3.07Å; K73-L77 PolarHBondContact O-N 2.99Å; K73-Y85 HydrophobicContact CB-CD2 3.89Å; K73-Y85 HydrophobicContact CB-CE2 3.83Å; K73-Y85 VanDerWaalsContact O-CD2 3.31Å; K73-Y85 WeakPolarHBondContact O-CD2 3.34Å; K73-L88 HydrophobicContact CD-CB 4.49Å; K73-L88 HydrophobicContact CG-CD1 4.39Å; K73-N89 PolarHBondContact NZ-OD1 3.24Å; K73-E92 WeakPolarHBondContact CD-OE1 3.4Å; K73-E92 VanDerWaalsContact NZ-CD 3.29Å; K73-E92 IonicContact NZ-OE1 3.09Å; K73-E92 PolarHBondContact NZ-OE1 3.49Å; K73-E92 IonicContact NZ-OE2 3.63Å; K73-E92 PolarHBondContact NZ-OE2 2.93Å
74Q93.8Very high91.9Very high75 Ų7551.6 Ų51.635%0.3528%0.277SS..Hα-helixtrans-61.9-44.5176.1-170.7-177.1-12.100112.2D70 R71 F72 L76 L77 E78D70-Q74 PolarHBondContact O-N 2.89Å; R71-Q74 PolarHBondContact O-N 3.43Å; F72-Q74 VanDerWaalsContact C-N 3.32Å; F72-Q74 PolarHBondContact O-N 2.96Å; Q74-L76 VanDerWaalsContact C-N 3.25Å; Q74-L76 PolarHBondContact O-N 2.89Å; Q74-L77 WeakPolarHBondContact O-CB 3.32Å; Q74-L77 PolarHBondContact O-N 3.46Å; Q74-E78 WeakPolarHBondContact CG-OE1 3.36Å; Q74-E78 PolarHBondContact NE2-OE1 3.22Å; Q74-E78 PolarHBondContact O-N 3.16Å
75A96.1Very high92.6Very high0 Ų053.9 Ų53.90%028%0.284CS..Hα-helixtrans-61.2-32.7176.900000112.6I26 I29 L30 R71 F72 T79I26-A75 HydrophobicContact CG2-CB 4.08Å; I29-A75 HydrophobicContact CB-CB 4.02Å; I29-A75 HydrophobicContact CD1-CB 4.19Å; I29-A75 HydrophobicContact CG2-CB 3.79Å; L30-A75 HydrophobicContact CD2-CB 4.41Å; L30-A75 HydrophobicContact CG-CB 4.37Å; R71-A75 WeakPolarHBondContact O-CB 3.49Å; R71-A75 PolarHBondContact O-N 2.78Å; F72-A75 PolarHBondContact O-N 3.19Å; A75-T79 WeakPolarHBondContact O-CB 3.37Å; A75-T79 VanDerWaalsContact O-CG2 3.31Å; A75-T79 WeakPolarHBondContact O-CG2 3.37Å; A75-T79 PolarHBondContact O-N 2.95Å; A75-T79 VanDerWaalsContact O-N 3.07Å; A75-T79 PolarHBondContact O-OG1 3.47Å
76L96.7Very high93.2Very high0 Ų054.8 Ų54.80%028%0.278CS..Hα-helixtrans-64.8-38.9172.8-69.6169.3000112.3I26 F72 K73 Q74 T79 N80 Q81 I84 L88I26-L76 HydrophobicContact CD1-CD2 3.96Å; F72-L76 HydrophobicContact CD2-CD1 4.48Å; F72-L76 HydrophobicContact CD2-CG 4.29Å; F72-L76 HydrophobicContact CE1-CD1 4.07Å; F72-L76 HydrophobicContact CE2-CD1 4.04Å; F72-L76 HydrophobicContact CE2-CD2 3.94Å; F72-L76 HydrophobicContact CE2-CG 3.88Å; F72-L76 HydrophobicContact CZ-CD1 3.82Å; F72-L76 HydrophobicContact CZ-CD2 4.17Å; F72-L76 HydrophobicContact CZ-CG 4.16Å; F72-L76 WeakPolarHBondContact O-CG 3.42Å; F72-L76 PolarHBondContact O-N 3.32Å; K73-L76 WeakPolarHBondContact O-CB 3.1Å; K73-L76 PolarHBondContact O-N 3.07Å; Q74-L76 VanDerWaalsContact C-N 3.25Å; Q74-L76 PolarHBondContact O-N 2.89Å; L76-T79 PolarHBondContact O-OG1 3.31Å; L76-N80 PolarHBondContact O-N 3.48Å; L76-Q81 HydrophobicContact CB-CB 4.3Å; L76-Q81 HydrophobicContact CD2-CB 3.8Å; L76-Q81 CarbonylContact O-C 3.6Å; L76-Q81 WeakPolarHBondContact O-CA 3.4Å; L76-Q81 WeakPolarHBondContact O-CB 3.48Å; L76-Q81 PolarHBondContact O-N 3.5Å; L76-I84 HydrophobicContact CD1-CB 4.29Å; L76-I84 HydrophobicContact CD1-CG2 3.84Å; L76-I84 HydrophobicContact CD2-CB 4.23Å; L76-I84 HydrophobicContact CD2-CD1 4.36Å; L76-I84 HydrophobicContact CD2-CG2 4.14Å; L76-L88 HydrophobicContact CD1-CD1 3.37Å
77L94.4Very high93.6Very high73 Ų7352.7 Ų52.738%0.38226%0.262SS..Hα-helixtrans-67.8-46.6175.7-71.1175.3000111.8K73 Q74 T79 N80 K82 Y85K73-L77 PolarHBondContact O-N 2.99Å; Q74-L77 WeakPolarHBondContact O-CB 3.32Å; Q74-L77 PolarHBondContact O-N 3.46Å; L77-T79 PolarHBondContact O-N 2.78Å; L77-N80 PolarHBondContact O-N 2.84Å; L77-N80 VanDerWaalsContact O-N 3.09Å; L77-K82 HydrophobicContact CD2-CG 4.49Å; L77-Y85 HydrophobicContact CD1-CD1 4.48Å; L77-Y85 HydrophobicContact CD1-CD2 3.98Å; L77-Y85 HydrophobicContact CD1-CE1 4.14Å; L77-Y85 HydrophobicContact CD1-CE2 3.59Å; L77-Y85 HydrophobicContact CD1-CG 4.4Å; L77-Y85 HydrophobicContact CD2-CD1 3.62Å; L77-Y85 HydrophobicContact CD2-CD2 4.01Å; L77-Y85 HydrophobicContact CD2-CE1 3.98Å; L77-Y85 HydrophobicContact CD2-CE2 4.33Å; L77-Y85 HydrophobicContact CD2-CG 3.64Å; L77-Y85 HydrophobicContact CG-CD1 4.16Å; L77-Y85 HydrophobicContact CG-CD2 3.63Å; L77-Y85 HydrophobicContact CG-CE1 4.32Å; L77-Y85 HydrophobicContact CG-CE2 3.81Å; L77-Y85 HydrophobicContact CG-CG 3.81Å
78E94.4Very high93.9Very high100 Ų10047.2 Ų47.247%0.46723%0.234SC..Hα-helixtrans-63.9-29.1-178.6-72.8177.3-159.700112.6I29 Q74 N80I29-E78 HydrophobicContact CD1-CB 3.66Å; I29-E78 WeakPolarHBondContact CG2-OE2 3.5Å; Q74-E78 WeakPolarHBondContact CG-OE1 3.36Å; Q74-E78 PolarHBondContact NE2-OE1 3.22Å; Q74-E78 PolarHBondContact O-N 3.16Å; E78-N80 VanDerWaalsContact C-N 3.35Å
79T95.1Very high94Very high1 Ų148.7 Ų48.71%0.00624%0.242CC..THydrogen-bonded Turntrans-94.615.9176.459.90000113.8N22 E25 I26 I29 A75 L76 L77 Q81N22-T79 PolarHBondContact ND2-O 3.29Å; E25-T79 HydrophobicContact CB-CG2 3.51Å; I26-T79 HydrophobicContact CG1-CG2 4.14Å; I29-T79 HydrophobicContact CD1-CG2 3.55Å; A75-T79 WeakPolarHBondContact O-CB 3.37Å; A75-T79 VanDerWaalsContact O-CG2 3.31Å; A75-T79 WeakPolarHBondContact O-CG2 3.37Å; A75-T79 PolarHBondContact O-N 2.95Å; A75-T79 VanDerWaalsContact O-N 3.07Å; A75-T79 PolarHBondContact O-OG1 3.47Å; L76-T79 PolarHBondContact O-OG1 3.31Å; L77-T79 PolarHBondContact O-N 2.78Å; T79-Q81 PolarHBondContact O-N 3.04Å; T79-Q81 PolarHBondContact OG1-NE2 3.39Å
80N92.6Very high93.8Very high145 Ų14553.9 Ų53.978%0.77527%0.266SS*.THydrogen-bonded Turntrans59.724.7179.1-60.5-62.2000115.2L76 L77 E78 K82L76-N80 PolarHBondContact O-N 3.48Å; L77-N80 PolarHBondContact O-N 2.84Å; L77-N80 VanDerWaalsContact O-N 3.09Å; E78-N80 VanDerWaalsContact C-N 3.35Å; N80-K82 PolarHBondContact O-N 2.76Å
81Q93.3Very high93.5Very high8 Ų851 Ų514%0.03725%0.251CS..  trans-91.349.3176.1-69.2178.382.900111.8L76 T79 S83 I84 Y85L76-Q81 HydrophobicContact CB-CB 4.3Å; L76-Q81 HydrophobicContact CD2-CB 3.8Å; L76-Q81 CarbonylContact O-C 3.6Å; L76-Q81 WeakPolarHBondContact O-CA 3.4Å; L76-Q81 WeakPolarHBondContact O-CB 3.48Å; L76-Q81 PolarHBondContact O-N 3.5Å; T79-Q81 PolarHBondContact O-N 3.04Å; T79-Q81 PolarHBondContact OG1-NE2 3.39Å; Q81-S83 VanDerWaalsContact C-N 3.34Å; Q81-S83 PolarHBondContact O-N 3.42Å; Q81-I84 HydrophobicContact CB-CD1 4.17Å; Q81-I84 HydrophobicContact CB-CG1 4.46Å; Q81-I84 HydrophobicContact CG-CD1 4.49Å; Q81-I84 PolarHBondContact O-N 2.76Å; Q81-I84 VanDerWaalsContact O-N 3.15Å; Q81-Y85 PolarHBondContact O-N 3.03Å
82K91.4Very high93Very high127 Ų12748.2 Ų48.255%0.55224%0.243SC*.Hα-helixtrans-61.2-37.1-173.5-172.3177.3176.1-179.20113.4L77 N80 I84 Y85 D86L77-K82 HydrophobicContact CD2-CG 4.49Å; N80-K82 PolarHBondContact O-N 2.76Å; K82-I84 PolarHBondContact O-N 2.66Å; K82-Y85 WeakPolarHBondContact O-CB 3.36Å; K82-Y85 PolarHBondContact O-N 3.38Å; K82-Y85 VanDerWaalsContact O-N 3.16Å; K82-D86 WeakPolarHBondContact CE-OD2 3.21Å; K82-D86 WeakPolarHBondContact CG-OD2 3.29Å; K82-D86 WeakPolarHBondContact O-CB 3.49Å; K82-D86 VanDerWaalsContact O-CG 3.27Å; K82-D86 PolarHBondContact O-N 2.69Å
83S91.9Very high92.2Very high84 Ų8454 Ų5459%0.58727%0.27SS*.Hα-helixtrans-60.2-33.6177.757.80000113.2Q81 L87Q81-S83 VanDerWaalsContact C-N 3.34Å; Q81-S83 PolarHBondContact O-N 3.42Å; S83-L87 WeakPolarHBondContact O-CB 3.25Å; S83-L87 PolarHBondContact O-N 3.41Å
84I95Very high90.8Very high2 Ų258 Ų581%0.0129%0.291CS..Hα-helixtrans-76.4-41.4177.4-52.3-178.6000110.1F15 L16 N19 I20 L76 Q81 K82 L87 L88F15-I84 HydrophobicContact CE1-CG1 4.49Å; L16-I84 HydrophobicContact CD2-CG2 3.39Å; N19-I84 HydrophobicContact CB-CD1 4.19Å; N19-I84 HydrophobicContact CB-CG1 4.39Å; I20-I84 HydrophobicContact CB-CD1 4.37Å; I20-I84 HydrophobicContact CG1-CD1 3.64Å; L76-I84 HydrophobicContact CD1-CB 4.29Å; L76-I84 HydrophobicContact CD1-CG2 3.84Å; L76-I84 HydrophobicContact CD2-CB 4.23Å; L76-I84 HydrophobicContact CD2-CD1 4.36Å; L76-I84 HydrophobicContact CD2-CG2 4.14Å; Q81-I84 HydrophobicContact CB-CD1 4.17Å; Q81-I84 HydrophobicContact CB-CG1 4.46Å; Q81-I84 HydrophobicContact CG-CD1 4.49Å; Q81-I84 PolarHBondContact O-N 2.76Å; Q81-I84 VanDerWaalsContact O-N 3.15Å; K82-I84 PolarHBondContact O-N 2.66Å; I84-L87 PolarHBondContact O-N 2.98Å; I84-L88 HydrophobicContact CG2-CD1 4.28Å; I84-L88 WeakPolarHBondContact O-CG 3.43Å; I84-L88 PolarHBondContact O-N 3.33Å
85Y94.9Very high89Confident58 Ų5858.2 Ų58.223%0.22729%0.291CS..Hα-helixtrans-59.5-49175.1174.7-90.9000111.9K73 L77 Q81 K82 L87 L88 N89K73-Y85 HydrophobicContact CB-CD2 3.89Å; K73-Y85 HydrophobicContact CB-CE2 3.83Å; K73-Y85 VanDerWaalsContact O-CD2 3.31Å; K73-Y85 WeakPolarHBondContact O-CD2 3.34Å; L77-Y85 HydrophobicContact CD1-CD1 4.48Å; L77-Y85 HydrophobicContact CD1-CD2 3.98Å; L77-Y85 HydrophobicContact CD1-CE1 4.14Å; L77-Y85 HydrophobicContact CD1-CE2 3.59Å; L77-Y85 HydrophobicContact CD1-CG 4.4Å; L77-Y85 HydrophobicContact CD2-CD1 3.62Å; L77-Y85 HydrophobicContact CD2-CD2 4.01Å; L77-Y85 HydrophobicContact CD2-CE1 3.98Å; L77-Y85 HydrophobicContact CD2-CE2 4.33Å; L77-Y85 HydrophobicContact CD2-CG 3.64Å; L77-Y85 HydrophobicContact CG-CD1 4.16Å; L77-Y85 HydrophobicContact CG-CD2 3.63Å; L77-Y85 HydrophobicContact CG-CE1 4.32Å; L77-Y85 HydrophobicContact CG-CE2 3.81Å; L77-Y85 HydrophobicContact CG-CG 3.81Å; Q81-Y85 PolarHBondContact O-N 3.03Å; K82-Y85 WeakPolarHBondContact O-CB 3.36Å; K82-Y85 PolarHBondContact O-N 3.38Å; K82-Y85 VanDerWaalsContact O-N 3.16Å; Y85-L87 PolarHBondContact O-N 3.32Å; Y85-L88 PolarHBondContact O-N 3.45Å; Y85-N89 WeakPolarHBondContact CD1-ND2 3.46Å; Y85-N89 WeakPolarHBondContact CE1-ND2 3.47Å; Y85-N89 PolarHBondContact O-N 3.31Å; Y85-N89 VanDerWaalsContact O-N 3.11Å; Y85-N89 PolarHBondContact O-ND2 2.84Å; Y85-N89 PolarHBondContact OH-ND2 2.93Å
86D92.4Very high87Confident63 Ų6363.8 Ų63.834%0.33733%0.325SS..Hα-helixtrans-60.7-45.2179.3-66.8-19.9000110.2K82 L88 N89 E90K82-D86 WeakPolarHBondContact CE-OD2 3.21Å; K82-D86 WeakPolarHBondContact CG-OD2 3.29Å; K82-D86 WeakPolarHBondContact O-CB 3.49Å; K82-D86 VanDerWaalsContact O-CG 3.27Å; K82-D86 PolarHBondContact O-N 2.69Å; D86-L88 VanDerWaalsContact C-N 3.35Å; D86-L88 PolarHBondContact O-N 3.45Å; D86-N89 PolarHBondContact O-N 2.95Å; D86-E90 WeakPolarHBondContact O-CG 3.46Å; D86-E90 PolarHBondContact O-N 3.47Å
87L92.5Very high84.6Confident44 Ų4468.8 Ų68.823%0.2336%0.355CS..Hα-helixtrans-65-34.9177.7-174.167.2000113.4L12 F15 S83 I84 Y85 T91L12-L87 HydrophobicContact CD1-CG 4.49Å; L12-L87 HydrophobicContact CD2-CD2 4.17Å; L12-L87 HydrophobicContact CD2-CG 4.41Å; F15-L87 HydrophobicContact CD1-CD2 3.5Å; F15-L87 HydrophobicContact CD2-CD2 4.05Å; F15-L87 HydrophobicContact CE1-CD2 3.3Å; F15-L87 HydrophobicContact CE2-CD2 3.86Å; F15-L87 HydrophobicContact CG-CD2 3.89Å; F15-L87 HydrophobicContact CZ-CD2 3.49Å; F15-L87 VanDerWaalsContact CZ-CD2 3.49Å; S83-L87 WeakPolarHBondContact O-CB 3.25Å; S83-L87 PolarHBondContact O-N 3.41Å; I84-L87 PolarHBondContact O-N 2.98Å; Y85-L87 PolarHBondContact O-N 3.32Å; L87-T91 WeakPolarHBondContact O-CB 3.26Å; L87-T91 PolarHBondContact O-N 3.09Å; L87-T91 PolarHBondContact O-OG1 2.8Å
88L92.5Very high82.2Confident1 Ų170.3 Ų70.31%0.00537%0.368CS..Hα-helixtrans-61.9-47.3174.2-77.5165.2000110.4V8 L12 F72 K73 L76 I84 Y85 D86 T91 E92V8-L88 HydrophobicContact CG1-CD2 3.82Å; L12-L88 HydrophobicContact CD1-CD2 3.7Å; L12-L88 HydrophobicContact CD1-CG 4.34Å; F72-L88 HydrophobicContact CE1-CD1 4.08Å; K73-L88 HydrophobicContact CD-CB 4.49Å; K73-L88 HydrophobicContact CG-CD1 4.39Å; L76-L88 HydrophobicContact CD1-CD1 3.37Å; I84-L88 HydrophobicContact CG2-CD1 4.28Å; I84-L88 WeakPolarHBondContact O-CG 3.43Å; I84-L88 PolarHBondContact O-N 3.33Å; Y85-L88 PolarHBondContact O-N 3.45Å; D86-L88 VanDerWaalsContact C-N 3.35Å; D86-L88 PolarHBondContact O-N 3.45Å; L88-T91 PolarHBondContact O-N 3.39Å; L88-E92 WeakPolarHBondContact O-CG 3.39Å; L88-E92 PolarHBondContact O-N 3.08Å
89N92Very high79.5Confident31 Ų3168.3 Ų68.317%0.16637%0.374CS..Hα-helixtrans-66.8-41.4177.9-65.5-33.2000112.1K73 Y85 D86 T91 E92 E93K73-N89 PolarHBondContact NZ-OD1 3.24Å; Y85-N89 WeakPolarHBondContact CD1-ND2 3.46Å; Y85-N89 WeakPolarHBondContact CE1-ND2 3.47Å; Y85-N89 PolarHBondContact O-N 3.31Å; Y85-N89 VanDerWaalsContact O-N 3.11Å; Y85-N89 PolarHBondContact O-ND2 2.84Å; Y85-N89 PolarHBondContact OH-ND2 2.93Å; D86-N89 PolarHBondContact O-N 2.95Å; N89-T91 PolarHBondContact O-N 3.04Å; N89-E92 WeakPolarHBondContact O-CB 3.34Å; N89-E92 PolarHBondContact O-N 3.21Å; N89-E92 VanDerWaalsContact O-N 3.11Å; N89-E93 WeakPolarHBondContact O-CG 3.38Å; N89-E93 PolarHBondContact O-N 3.39Å
90E89.9Confident76.4Confident109 Ų10976.6 Ų76.651%0.50941%0.412SS..Hα-helixtrans-59.3-38.4173.7-74.7177.1-17300111.3D86 E92 E93 L94D86-E90 WeakPolarHBondContact O-CG 3.46Å; D86-E90 PolarHBondContact O-N 3.47Å; E90-E92 VanDerWaalsContact C-N 3.33Å; E90-E93 PolarHBondContact O-N 2.83Å; E90-L94 VanDerWaalsContact O-CB 3.32Å; E90-L94 WeakPolarHBondContact O-CB 3.4Å; E90-L94 WeakPolarHBondContact O-CG 3.36Å; E90-L94 PolarHBondContact O-N 3.41Å
91T87.7Confident73.3Confident21 Ų2173.3 Ų73.313%0.12941%0.413CS..Hα-helixtrans-72.1-28.1178.2-54.70000112.4V8 L12 L87 L88 N89V8-T91 HydrophobicContact CG1-CG2 3.99Å; V8-T91 HydrophobicContact CG2-CG2 4.45Å; L12-T91 HydrophobicContact CD1-CG2 4.26Å; L12-T91 HydrophobicContact CG-CG2 4.34Å; L87-T91 WeakPolarHBondContact O-CB 3.26Å; L87-T91 PolarHBondContact O-N 3.09Å; L87-T91 PolarHBondContact O-OG1 2.8Å; L88-T91 PolarHBondContact O-N 3.39Å; N89-T91 PolarHBondContact O-N 3.04Å
92E83.8Confident70.2Confident47 Ų4781.9 Ų81.922%0.2246%0.455CS..Hα-helixtrans-69.9-49.8168.9-69.7168.5-143.400110.5V8 Y69 K73 L88 N89 E90 L94 K95V8-E92 HydrophobicContact CG2-CG 4.33Å; Y69-E92 WeakPolarHBondContact CE1-OE1 3.45Å; Y69-E92 PolarHBondContact OH-OE1 2.95Å; K73-E92 WeakPolarHBondContact CD-OE1 3.4Å; K73-E92 VanDerWaalsContact NZ-CD 3.29Å; K73-E92 IonicContact NZ-OE1 3.09Å; K73-E92 PolarHBondContact NZ-OE1 3.49Å; K73-E92 IonicContact NZ-OE2 3.63Å; K73-E92 PolarHBondContact NZ-OE2 2.93Å; L88-E92 WeakPolarHBondContact O-CG 3.39Å; L88-E92 PolarHBondContact O-N 3.08Å; N89-E92 WeakPolarHBondContact O-CB 3.34Å; N89-E92 PolarHBondContact O-N 3.21Å; N89-E92 VanDerWaalsContact O-N 3.11Å; E90-E92 VanDerWaalsContact C-N 3.33Å; E92-L94 PolarHBondContact O-N 2.76Å; E92-K95 WeakPolarHBondContact O-CB 3.49Å; E92-K95 PolarHBondContact O-N 3.41Å; E92-K95 VanDerWaalsContact O-N 3.11Å
93E78.8Confident67.1Low122 Ų12281.3 Ų81.357%0.5747%0.467SS*.Hα-helixtrans-66.3-35-178.9-73.4-178.4-170.400113N89 E90 K95 V96 V97N89-E93 WeakPolarHBondContact O-CG 3.38Å; N89-E93 PolarHBondContact O-N 3.39Å; E90-E93 PolarHBondContact O-N 2.83Å; E93-K95 PolarHBondContact O-N 3.45Å; E93-V96 CarbonylContact O-C 3.59Å; E93-V96 WeakPolarHBondContact O-CA 3.36Å; E93-V96 WeakPolarHBondContact O-CB 3.28Å; E93-V96 PolarHBondContact O-N 2.58Å; E93-V97 PolarHBondContact O-N 2.85Å
94L67.6Low64.4Low106 Ų10682.3 Ų82.356%0.55547%0.474SS*.Hα-helixtrans-60-27.8174.1-79.1167.2000111.7E90 E92 T98E90-L94 VanDerWaalsContact O-CB 3.32Å; E90-L94 WeakPolarHBondContact O-CB 3.4Å; E90-L94 WeakPolarHBondContact O-CG 3.36Å; E90-L94 PolarHBondContact O-N 3.41Å; E92-L94 PolarHBondContact O-N 2.76Å; L94-T98 VanDerWaalsContact O-CB 3.32Å; L94-T98 WeakPolarHBondContact O-CB 3.44Å; L94-T98 VanDerWaalsContact O-CG2 3.3Å; L94-T98 WeakPolarHBondContact O-CG2 3.05Å; L94-T98 PolarHBondContact O-N 3.29Å; L94-T98 VanDerWaalsContact O-N 3.12Å; L94-T98 PolarHBondContact O-OG1 3.13Å
95K56.9Low61.2Low81 Ų8191.1 Ų91.135%0.35252%0.515SS..Hα-helixtrans-74-27170.4-68.5-177.9176.4177.50112.8E4 E92 E93E4-K95 PolarHBondContact O-NZ 2.9Å; E92-K95 WeakPolarHBondContact O-CB 3.49Å; E92-K95 PolarHBondContact O-N 3.41Å; E92-K95 VanDerWaalsContact O-N 3.11Å; E93-K95 PolarHBondContact O-N 3.45Å
96V52.8Low58.1Low117 Ų11794 Ų9471%0.70954%0.543SS*.Hα-helixtrans-81.5-39.6178.4-175.30000111.2E93E93-V96 CarbonylContact O-C 3.59Å; E93-V96 WeakPolarHBondContact O-CA 3.36Å; E93-V96 WeakPolarHBondContact O-CB 3.28Å; E93-V96 PolarHBondContact O-N 2.58Å
97V47.8Very low55.2Low105 Ų10599 Ų9964%0.63657%0.568SS**Hα-helixtrans-84.1-30.6-177-178.10000112.8E93 G99 H100E93-V97 PolarHBondContact O-N 2.85Å; V97-G99 PolarHBondContact O-N 2.81Å; V97-H100 PolarHBondContact O-N 2.84Å; V97-H100 VanDerWaalsContact O-N 3.17Å
98T42.8Very low52.3Low105 Ų105102.1 Ų102.164%0.64459%0.594SS**THydrogen-bonded Turntrans-74.312.3171.859.60000113.8L94 H100L94-T98 VanDerWaalsContact O-CB 3.32Å; L94-T98 WeakPolarHBondContact O-CB 3.44Å; L94-T98 VanDerWaalsContact O-CG2 3.3Å; L94-T98 WeakPolarHBondContact O-CG2 3.05Å; L94-T98 PolarHBondContact O-N 3.29Å; L94-T98 VanDerWaalsContact O-N 3.12Å; L94-T98 PolarHBondContact O-OG1 3.13Å; T98-H100 PolarHBondContact O-N 2.86Å
99G37.2Very low49.5Very low58 Ų58108.5 Ų108.560%0.59863%0.628SS**THydrogen-bonded Turntrans-65.9-7.7156.300000114.2V97V97-G99 PolarHBondContact O-N 2.81Å
100H30.9Very low46.8Very low174 Ų174112.3 Ų112.381%0.80666%0.664SS**SBendtrans-125.8109.2172.2-82.424.9000112.5V97 T98V97-H100 PolarHBondContact O-N 2.84Å; V97-H100 VanDerWaalsContact O-N 3.17Å; T98-H100 PolarHBondContact O-N 2.86Å
101G28.5Very low44.6Very low76 Ų76115.4 Ų115.478%0.78468%0.675SS**  trans55.786.714400000117.5
102M26.4Very low42.4Very low189 Ų189121.4 Ų121.493%0.93171%0.707SS**  trans-111.990.3141.6-145.8140.164.600107.7S104M102-S104 PolarHBondContact O-N 3.44Å
103S27.4Very low40.6Very low114 Ų114127.2 Ų127.280%0.79773%0.734SS**  trans-57.798.3165.448.50000108.8
104S35.3Very low39.3Very low106 Ų106125.3 Ų125.374%0.74173%0.734SS**  trans-101.3105.4149.7-177.60000105.3M102 C106M102-S104 PolarHBondContact O-N 3.44Å; S104-C106 PolarHBondContact O-N 3.38Å
105E28.4Very low38.9Very low186 Ų186126.6 Ų126.687%0.86974%0.74SS**  trans-51.4109.7175-68.2172.7147.600109.9
106C28Very low39.1Very low119 Ų119131.2 Ų131.280%0.80477%0.765SS**  trans-140.895.4156-84.20000106.6S104S104-C106 PolarHBondContact O-N 3.38Å
107L32.2Very low39.7Very low168 Ų168132 Ų13288%0.8876%0.764SS**  trans17.3115157.8-67.9158000117D109L107-D109 PolarHBondContact O-N 3.3Å
108S31.6Very low40.3Very low109 Ų109132.6 Ų132.676%0.76277%0.77SS**  trans-45.6112.7163.253.20000112.5
109D34.7Very low41.2Very low136 Ų136134.4 Ų134.473%0.72778%0.776SS**  trans-128.1103.9140.9-91.5-28.2000106.3L107 K111L107-D109 PolarHBondContact O-N 3.3Å; D109-K111 PolarHBondContact O-N 3.13Å
110A35.3Very low42.2Very low111 Ų111143.7 Ų143.792%0.91779%0.793SS**  trans-63.685.8169.100000108.4
111K42Very low43.4Very low173 Ų173139.9 Ų139.975%0.75278%0.781SS**  trans-99.495.7166.5-75.8-174-179.5175.10107.7D109 E113D109-K111 PolarHBondContact O-N 3.13Å; K111-E113 PolarHBondContact O-N 2.92Å
112D42.6Very low44.8Very low147 Ų147142.5 Ų142.579%0.78679%0.787SS**  trans-3.395.8153.8-157.37.2000113.2S114D112-S114 PolarHBondContact O-N 2.98Å
113E46.1Very low46.6Very low170 Ų170137.2 Ų137.279%0.79477%0.769SS**  trans-71.366.4170.4-73.8-171.716200108.7K111 I115K111-E113 PolarHBondContact O-N 2.92Å; E113-I115 PolarHBondContact O-N 3.29Å
114S50.9Low48.6Very low81 Ų81136.6 Ų136.657%0.56675%0.754SS**  trans-65.782.2149.558.40000106.6D112 M116D112-S114 PolarHBondContact O-N 2.98Å; S114-M116 PolarHBondContact O-N 2.97Å
115I58.9Low50.6Low134 Ų134136.6 Ų136.669%0.68775%0.751SS**  trans-50.4110.6162.4-63.9170.5000104.4E113 I117E113-I115 PolarHBondContact O-N 3.29Å; I115-I117 PolarHBondContact O-N 3.44Å
116M61.5Low53.5Low177 Ų177133.3 Ų133.387%0.87274%0.739SS**  trans-62.180.5179.4-72.5-83.1-160.900108.7S114S114-M116 PolarHBondContact O-N 2.97Å
117I64.8Low56.6Low135 Ų135134.1 Ų134.169%0.69273%0.734SS**  trans-61.8125.6161.4-61.1175.5000104.2I115 D119I115-I117 PolarHBondContact O-N 3.44Å; I117-D119 PolarHBondContact O-N 2.76Å
118P61.8Low59.6Low117 Ų117128.4 Ų128.476%0.7671%0.706SS**  trans-55.6115.8176.3-22.632000108.8R120P118-R120 PolarHBondContact O-N 2.6Å
119D61.2Low62.7Low142 Ų142123.6 Ų123.676%0.75967%0.672SS**  trans-55137.8170.5-81.6-30.9000108.2I117 V121I117-D119 PolarHBondContact O-N 2.76Å; D119-V121 HydrophobicContact CB-CG2 4.27Å; D119-V121 WeakPolarHBondContact O-CG2 3.34Å; D119-V121 PolarHBondContact O-N 3.12Å
120R57.8Low65.7Low254 Ų254121.4 Ų121.496%0.95866%0.663SS**  trans-68.480.5164.8-74.6-173.7179.3-170.90.7107.3P118 S122P118-R120 PolarHBondContact O-N 2.6Å; R120-S122 PolarHBondContact O-N 2.81Å
121V55.2Low68.6Low94 Ų94116.1 Ų116.157%0.5762%0.62SS**  trans-64.6124.2-179.3-161.40000108.1D119 S123D119-V121 HydrophobicContact CB-CG2 4.27Å; D119-V121 WeakPolarHBondContact O-CG2 3.34Å; D119-V121 PolarHBondContact O-N 3.12Å; V121-S123 WeakPolarHBondContact CG1-O 3.45Å; V121-S123 PolarHBondContact O-N 3.17Å
122S58.6Low71.2Confident130 Ų130108.7 Ų108.791%0.90959%0.589SS**SBendtrans-69.2-20.2178.755.70000113.1R120R120-S122 PolarHBondContact O-N 2.81Å
123S64.7Low73.8Confident78 Ų78102.3 Ų102.355%0.54556%0.556SS.*SBendtrans-130.7125.6177.858.40000110.8V121V121-S123 WeakPolarHBondContact CG1-O 3.45Å; V121-S123 PolarHBondContact O-N 3.17Å
124H68.2Low76.1Confident102 Ų102102.3 Ų102.347%0.47255%0.553SS.*  trans-59.9130.9173.4-92.8-46.2000110.9L126 E340 Y373H124-L126 PolarHBondContact O-N 2.84Å; H124-E340 IonicContact NE2-OE1 3.05Å; H124-E340 IonicContact NE2-OE2 3.44Å; H124-Y373 PolarHBondContact CD2-OH 3.34Å
125P78.4Confident78.4Confident106 Ų10699.9 Ų99.969%0.68854%0.536SS*.SBendtrans-74.8-13.8-176.429.6-35.4000113.3
126L89.7Confident80.2Confident116 Ų11695.5 Ų95.561%0.60751%0.511SS*.SBendtrans-92.9135.4-174.5-59.9179.7000111.4H124 P128 P371H124-L126 PolarHBondContact O-N 2.84Å; L126-P128 WeakPolarHBondContact O-CD 3.18Å; L126-P371 HydrophobicContact CB-CG 3.62Å; L126-P371 HydrophobicContact CD1-CG 4.09Å
127I92.7Very high82Confident137 Ų13787.1 Ų87.170%0.70347%0.469SS*.PPolyproline II helixtrans-77.3120175.9-58.6173.6000109.2K370I127-K370 WeakPolarHBondContact O-CB 3.27Å
128P95.2Very high83.6Confident47 Ų4782.3 Ų82.331%0.30544%0.443SS..PPolyproline II helixtrans-73.1169.8-179.930.6-35.3000113.1L126 P371 Y373 T376L126-P128 WeakPolarHBondContact O-CD 3.18Å; P128-P371 VanDerWaalsContact CA-O 3.24Å; P128-P371 WeakPolarHBondContact CA-O 3.48Å; P128-P371 HydrophobicContact CB-CB 4.27Å; P128-P371 WeakPolarHBondContact CB-O 3.22Å; P128-Y373 HydrophobicContact CB-CD2 3.66Å; P128-Y373 HydrophobicContact CB-CE2 3.78Å; P128-Y373 HydrophobicContact CG-CD2 4.44Å; P128-Y373 HydrophobicContact CG-CE2 4.43Å; P128-T376 HydrophobicContact CG-CG2 4.45Å
129Y97.2Very high85.3Confident9 Ų976.8 Ų76.84%0.03541%0.407CS..PPolyproline II helixtrans-62.9142.5163-65.9-82.5000110.7V131 P249 D298 L368 T369 K370 P371 T376Y129-V131 PolarHBondContact O-N 2.79Å; Y129-P249 HydrophobicContact CD1-CG 4.38Å; Y129-P249 HydrophobicContact CD2-CB 4.02Å; Y129-P249 HydrophobicContact CD2-CG 4.18Å; Y129-P249 HydrophobicContact CE2-CB 4.26Å; Y129-P249 HydrophobicContact CG-CB 4.22Å; Y129-P249 HydrophobicContact CG-CG 3.93Å; Y129-D298 HydrophobicContact CE1-CB 4.07Å; Y129-D298 WeakPolarHBondContact CE1-OD1 3.11Å; Y129-D298 WeakPolarHBondContact OH-CB 3.42Å; Y129-D298 PolarHBondContact OH-OD1 3.38Å; Y129-L368 HydrophobicContact CE2-CD2 3.86Å; Y129-T369 PolarHBondContact OH-N 2.9Å; Y129-T369 PolarHBondContact OH-OG1 2.88Å; Y129-K370 HydrophobicContact CD1-CB 4.35Å; Y129-K370 HydrophobicContact CD1-CD 4.16Å; Y129-K370 HydrophobicContact CD2-CB 3.73Å; Y129-K370 HydrophobicContact CE1-CB 4.23Å; Y129-K370 HydrophobicContact CE1-CD 4.28Å; Y129-K370 HydrophobicContact CE1-CG 4.4Å; Y129-K370 HydrophobicContact CE2-CB 3.6Å; Y129-K370 WeakPolarHBondContact CE2-O 3.48Å; Y129-K370 HydrophobicContact CG-CB 4.11Å; Y129-K370 HydrophobicContact CG-CD 4.48Å; Y129-K370 PolarHBondContact OH-N 2.77Å; Y129-P371 WeakPolarHBondContact CD2-O 3.25Å; Y129-P371 PolarHBondContact N-O 3.44Å; Y129-T376 VanDerWaalsContact O-CG2 3.3Å; Y129-T376 WeakPolarHBondContact O-CG2 3.48Å
130T96.4Very high87.1Confident90 Ų9070.3 Ų70.355%0.55237%0.372SS*.PPolyproline II helixtrans-71.2118.1169.8-55.60000109.4T132 H205T130-T132 HydrophobicContact CG2-CG2 3.97Å; T130-T132 WeakPolarHBondContact CG2-OG1 3.5Å; T130-H205 WeakPolarHBondContact O-CB 3.47Å; T130-H205 VanDerWaalsContact O-CG 3.3Å; T130-H205 PolarHBondContact O-ND1 3.07Å
131V97Very high89.1Confident0 Ų058.2 Ų58.20%033%0.326CS..  trans-130.765.3177.2-168.30000109Y129 R136 A206 P249 Y372 Y373 L374 T376Y129-V131 PolarHBondContact O-N 2.79Å; V131-R136 HydrophobicContact CG1-CB 3.97Å; V131-R136 HydrophobicContact CG1-CG 4.42Å; V131-R136 VanDerWaalsContact O-CD 3.22Å; V131-R136 WeakPolarHBondContact O-CD 3.17Å; V131-R136 PolarHBondContact O-NE 3.12Å; V131-A206 HydrophobicContact CG1-CB 4.38Å; V131-P249 HydrophobicContact CG2-CG 4.17Å; V131-Y372 HydrophobicContact CG2-CD2 4.19Å; V131-Y372 HydrophobicContact CG2-CE2 4.08Å; V131-Y373 WeakPolarHBondContact CG2-O 3.48Å; V131-L374 WeakPolarHBondContact CG1-O 3.44Å; V131-T376 HydrophobicContact CB-CG2 4.39Å; V131-T376 PolarHBondContact N-OG1 3.47Å; V131-T376 PolarHBondContact O-N 3.23Å
132T96.6Very high91.2Very high17 Ų1753.7 Ų53.710%0.10430%0.299CS..  trans-120.42.2-173.461.70000116.1T130 R136 H205 T376 L377 K378T130-T132 HydrophobicContact CG2-CG2 3.97Å; T130-T132 WeakPolarHBondContact CG2-OG1 3.5Å; T132-R136 PolarHBondContact O-NH1 3Å; T132-H205 PolarHBondContact N-ND1 2.82Å; T132-H205 PolarHBondContact OG1-CE1 2.86Å; T132-H205 VanDerWaalsContact OG1-CE1 3.3Å; T132-T376 WeakPolarHBondContact CG2-OG1 3.49Å; T132-L377 WeakPolarHBondContact CG2-O 3.47Å; T132-K378 HydrophobicContact CG2-CG 3.9Å; T132-K378 WeakPolarHBondContact O-CE 3.37Å
133S96.9Very high93.1Very high13 Ų1347.5 Ų47.59%0.09126%0.256CS..SBendtrans-69.2164.3178.639.90000110.8P135 R136 H205S133-P135 VanDerWaalsContact C-C 3.44Å; S133-P135 CarbonylContact C-O 3.52Å; S133-P135 WeakPolarHBondContact CB-O 3.31Å; S133-P135 CarbonylContact O-C 3.25Å; S133-P135 VanDerWaalsContact O-C 3.25Å; S133-P135 PolarHBondContact OG-O 2.8Å; S133-R136 WeakPolarHBondContact O-CA 3.08Å; S133-R136 VanDerWaalsContact O-CD 3.31Å; S133-R136 WeakPolarHBondContact O-CD 3.37Å; S133-R136 PolarHBondContact O-N 3.5Å; S133-R136 PolarHBondContact O-NH1 3.23Å; S133-R136 PolarHBondContact OG-O 2.93Å; S133-R136 VanDerWaalsContact OG-O 3.12Å; S133-H205 PolarHBondContact N-CE1 3.25Å; S133-H205 VanDerWaalsContact N-CE1 3.34Å; S133-H205 PolarHBondContact N-ND1 2.8Å; S133-H205 WeakPolarHBondContact OG-CB 3.3Å; S133-H205 PolarHBondContact OG-N 2.84Å; S133-H205 PolarHBondContact OG-ND1 3.25Å; S133-H205 VanDerWaalsContact OG-ND1 3.1Å
134F95.6Very high94.7Very high169 Ų16943.8 Ų43.874%0.74123%0.23SC*.SBendtrans-130.4106.2175.8-166.2-92.2000109.5M174F134-M174 HydrophobicContact CD2-CB 4.35Å; F134-M174 HydrophobicContact CE2-CB 4.08Å; F134-M174 HydrophobicContact CE2-CG 4.22Å; F134-M174 HydrophobicContact CE2-SD 3.84Å
135P97.6Very high96.1Very high30 Ų3039.9 Ų39.920%0.19521%0.212CC..SBendcis-67162.80.231.5-36.6000112.6S133 G137 Y138 M174 V204S133-P135 VanDerWaalsContact C-C 3.44Å; S133-P135 CarbonylContact C-O 3.52Å; S133-P135 WeakPolarHBondContact CB-O 3.31Å; S133-P135 CarbonylContact O-C 3.25Å; S133-P135 VanDerWaalsContact O-C 3.25Å; S133-P135 PolarHBondContact OG-O 2.8Å; P135-G137 PolarHBondContact O-N 3.01Å; P135-Y138 HydrophobicContact CG-CE1 4.33Å; P135-M174 CarbonylContact C-O 3.11Å; P135-M174 VanDerWaalsContact CA-O 3.29Å; P135-M174 WeakPolarHBondContact CA-O 3.47Å; P135-M174 WeakPolarHBondContact CB-O 3.33Å; P135-V204 HydrophobicContact CG-CG1 4.01Å; P135-V204 WeakPolarHBondContact O-CG1 3.4Å
136R97.4Very high97Very high43 Ų4338.7 Ų38.716%0.16220%0.2CC..SBendtrans-59.4-34.9176-61.2-59.2-179.9-139.110112.4V131 T132 S133 F173 M174 Y175 H205 A206 S375V131-R136 HydrophobicContact CG1-CB 3.97Å; V131-R136 HydrophobicContact CG1-CG 4.42Å; V131-R136 VanDerWaalsContact O-CD 3.22Å; V131-R136 WeakPolarHBondContact O-CD 3.17Å; V131-R136 PolarHBondContact O-NE 3.12Å; T132-R136 PolarHBondContact O-NH1 3Å; S133-R136 WeakPolarHBondContact O-CA 3.08Å; S133-R136 VanDerWaalsContact O-CD 3.31Å; S133-R136 WeakPolarHBondContact O-CD 3.37Å; S133-R136 PolarHBondContact O-N 3.5Å; S133-R136 PolarHBondContact O-NH1 3.23Å; S133-R136 PolarHBondContact OG-O 2.93Å; S133-R136 VanDerWaalsContact OG-O 3.12Å; R136-F173 WeakPolarHBondContact CG-O 3.29Å; R136-M174 HydrophobicContact CG-CB 4.11Å; R136-M174 PolarHBondContact N-O 3.4Å; R136-Y175 HydrophobicContact CB-CD1 4.25Å; R136-Y175 HydrophobicContact CB-CD2 3.8Å; R136-Y175 HydrophobicContact CB-CE1 4.07Å; R136-Y175 HydrophobicContact CB-CE2 3.57Å; R136-Y175 HydrophobicContact CB-CG 4.13Å; R136-Y175 HydrophobicContact CG-CD2 4.23Å; R136-Y175 HydrophobicContact CG-CE2 4.06Å; R136-H205 PolarHBondContact O-N 2.83Å; R136-A206 PolarHBondContact O-N 2.86Å; R136-A206 VanDerWaalsContact O-N 3.11Å; R136-S375 PolarHBondContact NE-OG 3.15Å; R136-S375 PolarHBondContact NH2-OG 2.95Å
137G98.4Very high97.4Very high0 Ų034.1 Ų34.10%017%0.174CC..EExtended strand (participates in β ladder)trans-176.4175.6-174.600000110.9P135 Y175 S176 A206P135-G137 PolarHBondContact O-N 3.01Å; G137-Y175 WeakPolarHBondContact O-CD1 3.48Å; G137-S176 PolarHBondContact O-N 3.15Å; G137-A206 WeakPolarHBondContact CA-O 3.43Å
138Y98.7Very high97.6Very high35 Ų3529.4 Ų29.414%0.13715%0.153CC..EExtended strand (participates in β ladder)trans-100.6140.7168.8-63.4-76.5000110.4P135 S176 K198 E200 H201 V204 A206 A207 V208P135-Y138 HydrophobicContact CG-CE1 4.33Å; Y138-S176 WeakPolarHBondContact CA-O 3.49Å; Y138-K198 HydrophobicContact CD2-CD 4.34Å; Y138-K198 VanDerWaalsContact CE1-NZ 3.33Å; Y138-K198 HydrophobicContact CG-CD 4.46Å; Y138-E200 HydrophobicContact CE2-CB 3.58Å; Y138-E200 WeakPolarHBondContact OH-CB 3.35Å; Y138-H201 AromaticContact CD2-CE1 3.97Å; Y138-H201 AromaticContact CD2-ND1 3.73Å; Y138-V204 HydrophobicContact CD2-CG1 4.31Å; Y138-V204 HydrophobicContact CD2-CG2 3.84Å; Y138-V204 HydrophobicContact CE2-CG1 3.75Å; Y138-V204 HydrophobicContact CE2-CG2 3.91Å; Y138-A206 PolarHBondContact N-O 3.06Å; Y138-A207 WeakPolarHBondContact O-CA 3.43Å; Y138-V208 PolarHBondContact O-N 2.86Å
139V98.8Very high97.6Very high1 Ų138.4 Ų38.41%0.00618%0.181CC..EExtended strand (participates in β ladder)trans-118124.51751800000107.6I141 F170 Y175 S176 V177 A178 V208 I210V139-I141 HydrophobicContact CG1-CD1 4.4Å; V139-I141 HydrophobicContact CG1-CG1 3.88Å; V139-F170 HydrophobicContact CG1-CD2 4.22Å; V139-F170 HydrophobicContact CG1-CG 4.28Å; V139-F170 HydrophobicContact CG2-CB 3.85Å; V139-F170 HydrophobicContact CG2-CD1 3.74Å; V139-F170 HydrophobicContact CG2-CD2 4.48Å; V139-F170 HydrophobicContact CG2-CE1 4.45Å; V139-F170 HydrophobicContact CG2-CG 3.76Å; V139-Y175 HydrophobicContact CG2-CD1 3.61Å; V139-Y175 HydrophobicContact CG2-CG 3.81Å; V139-S176 PolarHBondContact N-O 2.94Å; V139-V177 HydrophobicContact CB-CB 4.33Å; V139-V177 HydrophobicContact CB-CG1 4.13Å; V139-V177 HydrophobicContact CB-CG2 4Å; V139-V177 HydrophobicContact CG1-CG1 4.11Å; V139-V177 HydrophobicContact CG2-CG2 4.23Å; V139-V177 WeakPolarHBondContact O-CA 3.24Å; V139-A178 PolarHBondContact O-N 2.84Å; V139-V208 CarbonylContact C-O 3.55Å; V139-V208 VanDerWaalsContact CA-O 3.3Å; V139-V208 WeakPolarHBondContact CA-O 3.32Å; V139-V208 HydrophobicContact CB-CB 4.22Å; V139-V208 HydrophobicContact CG1-CB 4.04Å; V139-V208 HydrophobicContact CG1-CG1 4.19Å; V139-V208 HydrophobicContact CG2-CB 3.83Å; V139-V208 HydrophobicContact CG2-CG2 4.01Å; V139-I210 HydrophobicContact CG1-CD1 4.32Å
140L98.9Very high97.4Very high5 Ų545.5 Ų45.53%0.02622%0.215CC..EExtended strand (participates in β ladder)trans-107116170173.561.9000108.9I142 I180 V191 F195 V208 L209 I210L140-I142 HydrophobicContact CD1-CG1 4.3Å; L140-I142 HydrophobicContact CD2-CD1 4.11Å; L140-I142 HydrophobicContact CD2-CG1 4.24Å; L140-I142 HydrophobicContact CG-CD1 4.41Å; L140-I142 HydrophobicContact CG-CG1 4Å; L140-I180 HydrophobicContact CD1-CD1 3.78Å; L140-I180 HydrophobicContact CD1-CG1 4.04Å; L140-V191 HydrophobicContact CD1-CG1 4.46Å; L140-V191 HydrophobicContact CD2-CG1 3.91Å; L140-F195 HydrophobicContact CB-CD1 4.02Å; L140-F195 HydrophobicContact CB-CD2 3.64Å; L140-F195 HydrophobicContact CB-CE1 4Å; L140-F195 HydrophobicContact CB-CE2 3.62Å; L140-F195 HydrophobicContact CB-CG 3.83Å; L140-F195 HydrophobicContact CB-CZ 3.8Å; L140-F195 HydrophobicContact CD2-CB 3.57Å; L140-F195 HydrophobicContact CD2-CD1 4.06Å; L140-F195 HydrophobicContact CD2-CD2 4.15Å; L140-F195 HydrophobicContact CD2-CG 3.67Å; L140-F195 HydrophobicContact CG-CD2 4.46Å; L140-F195 HydrophobicContact CG-CG 4.38Å; L140-V208 PolarHBondContact N-O 3.15Å; L140-L209 HydrophobicContact CB-CD1 4.28Å; L140-L209 HydrophobicContact CD2-CD1 3.99Å; L140-L209 HydrophobicContact CG-CD1 4.1Å; L140-L209 WeakPolarHBondContact O-CA 3.5Å; L140-I210 PolarHBondContact O-N 3.18Å
141I98.9Very high97.3Very high0 Ų042.1 Ų42.10%020%0.195CC..EExtended strand (participates in β ladder)trans-103.1119.1172.9-52.6-176.7000108.2V139 A163 L166 Q167 V177 A178 V179 I180 I210 L212V139-I141 HydrophobicContact CG1-CD1 4.4Å; V139-I141 HydrophobicContact CG1-CG1 3.88Å; I141-A163 HydrophobicContact CG2-CB 4.31Å; I141-L166 HydrophobicContact CD1-CB 3.84Å; I141-Q167 HydrophobicContact CD1-CB 4.23Å; I141-V177 HydrophobicContact CD1-CG1 3.73Å; I141-V177 HydrophobicContact CG1-CG1 4.01Å; I141-A178 PolarHBondContact N-O 3.38Å; I141-V179 HydrophobicContact CB-CG1 4.37Å; I141-V179 HydrophobicContact CB-CG2 4.19Å; I141-V179 HydrophobicContact CD1-CG2 4.28Å; I141-V179 HydrophobicContact CG2-CG1 4.4Å; I141-V179 CarbonylContact O-C 3.53Å; I141-V179 WeakPolarHBondContact O-CA 3.37Å; I141-I180 PolarHBondContact O-N 2.84Å; I141-I210 CarbonylContact C-O 3.58Å; I141-I210 WeakPolarHBondContact CA-O 3.41Å; I141-I210 HydrophobicContact CD1-CD1 4.46Å; I141-I210 HydrophobicContact CG1-CB 4.33Å; I141-I210 HydrophobicContact CG1-CD1 4.23Å; I141-I210 HydrophobicContact CG2-CB 4.46Å; I141-L212 HydrophobicContact CG2-CD1 4.37Å
142I98.9Very high97.1Very high0 Ų045.4 Ų45.40%023%0.229CC..EExtended strand (participates in β ladder)trans-105.4110.9173.3-56.9-178.7000107.5L140 I144 I180 L183 L188 V192 L209 I210 I211 L212L140-I142 HydrophobicContact CD1-CG1 4.3Å; L140-I142 HydrophobicContact CD2-CD1 4.11Å; L140-I142 HydrophobicContact CD2-CG1 4.24Å; L140-I142 HydrophobicContact CG-CD1 4.41Å; L140-I142 HydrophobicContact CG-CG1 4Å; I142-I144 HydrophobicContact CG2-CD1 4.47Å; I142-I144 HydrophobicContact CG2-CG1 4.1Å; I142-I180 WeakPolarHBondContact CA-O 3.39Å; I142-L183 HydrophobicContact CD1-CD1 4.3Å; I142-L183 HydrophobicContact CG2-CD1 4.05Å; I142-L188 HydrophobicContact CD1-CD1 3.44Å; I142-L188 VanDerWaalsContact CD1-CD1 3.44Å; I142-L188 HydrophobicContact CG2-CD1 3.96Å; I142-V192 HydrophobicContact CD1-CG2 3.55Å; I142-L209 HydrophobicContact CD1-CD1 4.14Å; I142-L209 HydrophobicContact CG1-CD1 4.45Å; I142-I210 PolarHBondContact N-O 3.21Å; I142-I211 HydrophobicContact CB-CG1 4.46Å; I142-L212 PolarHBondContact O-N 3.33Å
143N98.7Very high96.9Very high0 Ų046.4 Ų46.40%024%0.235CC..EExtended strand (participates in β ladder)trans-110.4108.9178.6-179.138.6000110.1E145 S159 A163 I180 K181 N182 L212N143-E145 PolarHBondContact ND2-OE2 3.25Å; N143-E145 VanDerWaalsContact ND2-OE2 3.16Å; N143-S159 VanDerWaalsContact OD1-CB 3.31Å; N143-S159 WeakPolarHBondContact OD1-CB 3.49Å; N143-S159 PolarHBondContact OD1-OG 3.22Å; N143-A163 HydrophobicContact CB-CB 4.11Å; N143-I180 PolarHBondContact N-O 3.23Å; N143-K181 CarbonylContact O-C 3.55Å; N143-K181 VanDerWaalsContact O-CA 3.25Å; N143-K181 WeakPolarHBondContact O-CA 3.37Å; N143-N182 PolarHBondContact O-N 3.01Å; N143-L212 HydrophobicContact CB-CD1 4.4Å
144I98.2Very high96.7Very high0 Ų050.3 Ų50.30%026%0.26CS..  trans-99.699.5175.4-45.2-171.7000107.1I142 Y147 R156 L188 L212 A213 I220I142-I144 HydrophobicContact CG2-CD1 4.47Å; I142-I144 HydrophobicContact CG2-CG1 4.1Å; I144-Y147 HydrophobicContact CB-CE2 4.43Å; I144-Y147 HydrophobicContact CG2-CD1 4.34Å; I144-Y147 HydrophobicContact CG2-CD2 4.44Å; I144-Y147 HydrophobicContact CG2-CE1 3.68Å; I144-Y147 HydrophobicContact CG2-CE2 3.78Å; I144-Y147 WeakPolarHBondContact CG2-OH 3.41Å; I144-R156 WeakPolarHBondContact O-CD 3.19Å; I144-R156 PolarHBondContact O-NH1 3.47Å; I144-L188 HydrophobicContact CD1-CD2 4.37Å; I144-L212 PolarHBondContact N-O 2.95Å; I144-A213 HydrophobicContact CB-CB 4.07Å; I144-A213 HydrophobicContact CD1-CB 4.07Å; I144-A213 HydrophobicContact CG1-CB 4.14Å; I144-I220 HydrophobicContact CD1-CG2 4.32Å
145E97.7Very high96.7Very high20 Ų2044.7 Ų44.79%0.09324%0.238CC..  trans-110.1-47.5-175.4-178.4160.7-160.300111.4N143 N155 R156 G158 S159 S160 N182N143-E145 PolarHBondContact ND2-OE2 3.25Å; N143-E145 VanDerWaalsContact ND2-OE2 3.16Å; E145-N155 CarbonylContact O-C 3.48Å; E145-N155 VanDerWaalsContact O-CA 3.31Å; E145-N155 WeakPolarHBondContact O-CA 3.31Å; E145-N155 WeakPolarHBondContact O-CB 3.38Å; E145-R156 PolarHBondContact O-N 3.41Å; E145-G158 PolarHBondContact OE1-N 2.81Å; E145-S159 PolarHBondContact OE1-N 3.39Å; E145-S160 PolarHBondContact OE1-N 2.96Å; E145-S160 PolarHBondContact OE1-OG 3.22Å; E145-S160 WeakPolarHBondContact OE2-CA 3.46Å; E145-S160 WeakPolarHBondContact OE2-CB 3.48Å; E145-S160 PolarHBondContact OE2-N 2.98Å; E145-S160 PolarHBondContact OE2-OG 2.9Å; E145-N182 PolarHBondContact N-OD1 3.41Å
146D97.9Very high96.6Very high81 Ų8143.6 Ų43.643%0.43323%0.23SC..  trans-95.8127.9176.7-51.2-55.6000110.1N182 S223D146-N182 WeakPolarHBondContact CB-ND2 3.36Å; D146-N182 PolarHBondContact N-OD1 2.82Å; D146-N182 PolarHBondContact OD2-ND2 3.45Å; D146-S223 WeakPolarHBondContact O-CB 3.27Å
147Y97.9Very high96.3Very high20 Ų2046.3 Ų46.38%0.07824%0.244CC..  trans-114.2145.8180-74.5-95.1000110.3I144 S151 V153 N155 R156 H214 I221 A222 S223I144-Y147 HydrophobicContact CB-CE2 4.43Å; I144-Y147 HydrophobicContact CG2-CD1 4.34Å; I144-Y147 HydrophobicContact CG2-CD2 4.44Å; I144-Y147 HydrophobicContact CG2-CE1 3.68Å; I144-Y147 HydrophobicContact CG2-CE2 3.78Å; I144-Y147 WeakPolarHBondContact CG2-OH 3.41Å; Y147-S151 WeakPolarHBondContact CB-OG 3.39Å; Y147-V153 HydrophobicContact CD1-CG2 3.37Å; Y147-V153 HydrophobicContact CD2-CG2 4.4Å; Y147-V153 HydrophobicContact CE1-CG2 3.78Å; Y147-V153 HydrophobicContact CG-CG2 3.72Å; Y147-N155 PolarHBondContact N-OD1 2.96Å; Y147-R156 HydrophobicContact CE2-CG 3.9Å; Y147-H214 AromaticContact CE2-CD2 3.61Å; Y147-H214 AromaticContact CZ-CD2 3.63Å; Y147-H214 PolarHBondContact OH-N 3.37Å; Y147-I221 HydrophobicContact CE1-CB 4.43Å; Y147-I221 HydrophobicContact CE1-CG2 4.06Å; Y147-I221 WeakPolarHBondContact CE1-O 3.49Å; Y147-I221 PolarHBondContact OH-O 3.37Å; Y147-I221 VanDerWaalsContact OH-O 3.1Å; Y147-A222 WeakPolarHBondContact CD1-O 3.29Å; Y147-A222 VanDerWaalsContact CE1-O 3.24Å; Y147-A222 WeakPolarHBondContact CE1-O 3.31Å; Y147-S223 CarbonylContact C-O 3.58Å; Y147-S223 WeakPolarHBondContact CA-O 3.32Å
148S97Very high95.9Very high37 Ų3746.6 Ų46.626%0.25925%0.247SC..  trans-64.4154.217374.50000109.9E150 S151 S223S148-E150 WeakPolarHBondContact CB-OE2 3.2Å; S148-E150 PolarHBondContact O-N 3.03Å; S148-S151 VanDerWaalsContact O-CB 3.3Å; S148-S151 WeakPolarHBondContact O-CB 3.48Å; S148-S151 PolarHBondContact O-N 3.42Å; S148-S151 VanDerWaalsContact O-N 3.14Å; S148-S151 PolarHBondContact O-OG 2.8Å; S148-S151 PolarHBondContact OG-N 2.74Å; S148-S223 PolarHBondContact N-O 2.74Å; S148-S223 PolarHBondContact OG-O 2.76Å
149R95.4Very high95.8Very high237 Ų23744.9 Ų44.989%0.89424%0.24SC*.G310 helixtrans-61.9-34.1177.4-174.3179.2-179.3-174.2-0111.3S151R149-S151 PolarHBondContact O-N 3.2Å
150E93.1Very high95.6Very high158 Ų15846.6 Ų46.674%0.73825%0.252SS*.G310 helixtrans-70-20.7-179.2-59.169.9-148.400112.3S148 G152S148-E150 WeakPolarHBondContact CB-OE2 3.2Å; S148-E150 PolarHBondContact O-N 3.03Å; E150-G152 PolarHBondContact O-N 3.29Å
151S94Very high95.5Very high18 Ų1850.6 Ų50.613%0.12627%0.27CS..G310 helixtrans-65.1-22.5178.673.60000113.9Y147 S148 R149 V153 G225Y147-S151 WeakPolarHBondContact CB-OG 3.39Å; S148-S151 VanDerWaalsContact O-CB 3.3Å; S148-S151 WeakPolarHBondContact O-CB 3.48Å; S148-S151 PolarHBondContact O-N 3.42Å; S148-S151 VanDerWaalsContact O-N 3.14Å; S148-S151 PolarHBondContact O-OG 2.8Å; S148-S151 PolarHBondContact OG-N 2.74Å; R149-S151 PolarHBondContact O-N 3.2Å; S151-V153 PolarHBondContact O-N 3.2Å; S151-V153 WeakPolarHBondContact OG-CG2 3.47Å; S151-V153 PolarHBondContact OG-N 3.07Å; S151-G225 VanDerWaalsContact CB-CA 3.5Å
152G92.2Very high95.4Very high70 Ų7050.6 Ų50.672%0.72227%0.27SS*.  trans71.25.7-179.100000115.5E150E150-G152 PolarHBondContact O-N 3.29Å
153V91.7Very high95.4Very high38 Ų3850.8 Ų50.823%0.2327%0.272CS..SBendtrans-116.7148.9178.9-63.50000111.8Y147 S151 I221Y147-V153 HydrophobicContact CD1-CG2 3.37Å; Y147-V153 HydrophobicContact CD2-CG2 4.4Å; Y147-V153 HydrophobicContact CE1-CG2 3.78Å; Y147-V153 HydrophobicContact CG-CG2 3.72Å; S151-V153 PolarHBondContact O-N 3.2Å; S151-V153 WeakPolarHBondContact OG-CG2 3.47Å; S151-V153 PolarHBondContact OG-N 3.07Å; V153-I221 HydrophobicContact CG1-CD1 4.13Å; V153-I221 HydrophobicContact CG2-CG2 4.24Å
154P93.5Very high95.4Very high95 Ų9553.6 Ų53.662%0.61729%0.291SS*.  trans-74.8153.6-179.930.7-35.6000112.3H214P154-H214 PolarHBondContact O-NE2 3.42Å
155N95.8Very high95.4Very high51 Ų5156.3 Ų56.327%0.27330%0.303SS..  trans-58.7148.4172.2-69.2-11.7000112.1E145 Y147 H157E145-N155 CarbonylContact O-C 3.48Å; E145-N155 VanDerWaalsContact O-CA 3.31Å; E145-N155 WeakPolarHBondContact O-CA 3.31Å; E145-N155 WeakPolarHBondContact O-CB 3.38Å; Y147-N155 PolarHBondContact N-OD1 2.96Å; N155-H157 PolarHBondContact O-N 3.04Å
156R95Very high95.4Very high7 Ų755.4 Ų55.43%0.02630%0.299CS..  trans-97.451.9-178.2-63.1177.557.2-95.1-8.9112.3I144 E145 Y147 G158 S159 L212 A213 H214I144-R156 WeakPolarHBondContact O-CD 3.19Å; I144-R156 PolarHBondContact O-NH1 3.47Å; E145-R156 PolarHBondContact O-N 3.41Å; Y147-R156 HydrophobicContact CE2-CG 3.9Å; R156-G158 PolarHBondContact O-N 3.28Å; R156-S159 VanDerWaalsContact NH1-CB 3.3Å; R156-S159 PolarHBondContact NH1-OG 2.99Å; R156-S159 PolarHBondContact NH2-OG 3.48Å; R156-S159 VanDerWaalsContact NH2-OG 3.12Å; R156-S159 WeakPolarHBondContact O-CB 3.48Å; R156-S159 PolarHBondContact O-N 3.44Å; R156-L212 PolarHBondContact NH1-O 2.96Å; R156-A213 VanDerWaalsContact NE-C 3.31Å; R156-A213 PolarHBondContact NE-O 3.49Å; R156-H214 VanDerWaalsContact CD-N 3.33Å; R156-H214 WeakPolarHBondContact CG-NE2 3.45Å
157H92Very high95.5Very high99 Ų9954.5 Ų54.546%0.45829%0.292SS..THydrogen-bonded Turntrans-43.1127.2-179-62.7108.1000112.4N155 R313 E315N155-H157 PolarHBondContact O-N 3.04Å; H157-R313 PolarHBondContact O-NH1 3.4Å; H157-E315 HydrophobicContact CB-CG 4.49Å; H157-E315 WeakPolarHBondContact O-CA 3.41Å
158G90.3Very high95.5Very high6 Ų657.2 Ų57.26%0.06231%0.307CS..THydrogen-bonded Turntrans91.4-5.4179.900000114.2E145 R156 S160 H161 E315E145-G158 PolarHBondContact OE1-N 2.81Å; R156-G158 PolarHBondContact O-N 3.28Å; G158-S160 PolarHBondContact O-N 3.43Å; G158-H161 WeakPolarHBondContact CA-ND1 3.31Å; G158-H161 VanDerWaalsContact O-CB 3.32Å; G158-H161 WeakPolarHBondContact O-CB 3.39Å; G158-H161 PolarHBondContact O-N 3.01Å; G158-H161 PolarHBondContact O-ND1 3.49Å; G158-E315 WeakPolarHBondContact CA-O 3.39Å
159S95Very high95.5Very high0 Ų055.4 Ų55.40%030%0.295CS..Hα-helixtrans-63.8-22.8168.7-168.70000112.4N143 E145 R156 H161 D162 A163N143-S159 VanDerWaalsContact OD1-CB 3.31Å; N143-S159 WeakPolarHBondContact OD1-CB 3.49Å; N143-S159 PolarHBondContact OD1-OG 3.22Å; E145-S159 PolarHBondContact OE1-N 3.39Å; R156-S159 VanDerWaalsContact NH1-CB 3.3Å; R156-S159 PolarHBondContact NH1-OG 2.99Å; R156-S159 PolarHBondContact NH2-OG 3.48Å; R156-S159 VanDerWaalsContact NH2-OG 3.12Å; R156-S159 WeakPolarHBondContact O-CB 3.48Å; R156-S159 PolarHBondContact O-N 3.44Å; S159-H161 VanDerWaalsContact C-N 3.26Å; S159-H161 PolarHBondContact O-N 3.23Å; S159-D162 WeakPolarHBondContact O-CB 3.19Å; S159-D162 PolarHBondContact O-N 3.18Å; S159-A163 PolarHBondContact O-N 2.66Å
160S96.5Very high95.7Very high36 Ų3644.1 Ų44.125%0.25225%0.252SS..Hα-helixtrans-59.8-32.5168.1390000113.4E145 G158 S164E145-S160 PolarHBondContact OE1-N 2.96Å; E145-S160 PolarHBondContact OE1-OG 3.22Å; E145-S160 WeakPolarHBondContact OE2-CA 3.46Å; E145-S160 WeakPolarHBondContact OE2-CB 3.48Å; E145-S160 PolarHBondContact OE2-N 2.98Å; E145-S160 PolarHBondContact OE2-OG 2.9Å; G158-S160 PolarHBondContact O-N 3.43Å; S160-S164 WeakPolarHBondContact O-CB 3.17Å; S160-S164 PolarHBondContact O-N 3.45Å; S160-S164 PolarHBondContact O-OG 3.25Å
161H95.4Very high95.9Very high90 Ų9040.4 Ų40.442%0.41724%0.235SC..Hα-helixtrans-66.4-41.3173.1-61104.5000111.2G158 S159 S164 K165G158-H161 WeakPolarHBondContact CA-ND1 3.31Å; G158-H161 VanDerWaalsContact O-CB 3.32Å; G158-H161 WeakPolarHBondContact O-CB 3.39Å; G158-H161 PolarHBondContact O-N 3.01Å; G158-H161 PolarHBondContact O-ND1 3.49Å; S159-H161 VanDerWaalsContact C-N 3.26Å; S159-H161 PolarHBondContact O-N 3.23Å; H161-S164 PolarHBondContact O-N 3.26Å; H161-K165 WeakPolarHBondContact O-CB 3.43Å; H161-K165 VanDerWaalsContact O-CG 3.25Å; H161-K165 WeakPolarHBondContact O-CG 3.4Å; H161-K165 PolarHBondContact O-N 2.84Å
162D97.4Very high96Very high0 Ų043.9 Ų43.90%025%0.252CS..Hα-helixtrans-60.1-50174.8-72.4-21.5000111.1S159 S164 K165 L166 L212 G318 S319 V322S159-D162 WeakPolarHBondContact O-CB 3.19Å; S159-D162 PolarHBondContact O-N 3.18Å; D162-S164 VanDerWaalsContact C-N 3.29Å; D162-S164 PolarHBondContact O-N 2.81Å; D162-K165 PolarHBondContact O-N 2.74Å; D162-L166 WeakPolarHBondContact O-CB 3.3Å; D162-L166 WeakPolarHBondContact O-CD1 3.47Å; D162-L166 WeakPolarHBondContact O-CG 3.07Å; D162-L166 PolarHBondContact O-N 2.98Å; D162-L212 HydrophobicContact CB-CD1 3.81Å; D162-G318 VanDerWaalsContact OD1-CA 3.31Å; D162-G318 WeakPolarHBondContact OD1-CA 3.2Å; D162-S319 VanDerWaalsContact CG-N 3.25Å; D162-S319 PolarHBondContact OD1-N 3.33Å; D162-S319 WeakPolarHBondContact OD2-CB 3.29Å; D162-S319 PolarHBondContact OD2-N 3.35Å; D162-S319 PolarHBondContact OD2-OG 2.61Å; D162-V322 HydrophobicContact CB-CB 4.2Å; D162-V322 HydrophobicContact CB-CG1 3.81Å; D162-V322 HydrophobicContact CB-CG2 4.2Å
163A98.4Very high96.2Very high4 Ų442 Ų423%0.03322%0.224CC..Hα-helixtrans-58-42.5178.800000111.8I141 N143 S159 Q167 V179 L212I141-A163 HydrophobicContact CG2-CB 4.31Å; N143-A163 HydrophobicContact CB-CB 4.11Å; S159-A163 PolarHBondContact O-N 2.66Å; A163-Q167 VanDerWaalsContact O-CB 3.31Å; A163-Q167 WeakPolarHBondContact O-CB 3.49Å; A163-Q167 PolarHBondContact O-N 3.02Å; A163-V179 HydrophobicContact CB-CG1 4.37Å; A163-L212 HydrophobicContact CB-CD1 4.06Å
164S98.2Very high96.5Very high58 Ų5844.2 Ų44.241%0.40623%0.233SC..Hα-helixtrans-67.2-45.3179.2-54.90000112S160 H161 D162 L166 Q167 I168S160-S164 WeakPolarHBondContact O-CB 3.17Å; S160-S164 PolarHBondContact O-N 3.45Å; S160-S164 PolarHBondContact O-OG 3.25Å; H161-S164 PolarHBondContact O-N 3.26Å; D162-S164 VanDerWaalsContact C-N 3.29Å; D162-S164 PolarHBondContact O-N 2.81Å; S164-L166 VanDerWaalsContact C-N 3.33Å; S164-L166 PolarHBondContact O-N 3.49Å; S164-Q167 PolarHBondContact O-N 2.81Å; S164-I168 VanDerWaalsContact O-CG1 3.29Å; S164-I168 WeakPolarHBondContact O-CG1 3.19Å; S164-I168 PolarHBondContact O-N 2.81Å
165K98.3Very high96.7Very high58 Ų5840.1 Ų40.125%0.25221%0.205SC..Hα-helixtrans-60.3-43.1177.1-72.2169.9-176.21780111.4H161 D162 L169 E317 V326H161-K165 WeakPolarHBondContact O-CB 3.43Å; H161-K165 VanDerWaalsContact O-CG 3.25Å; H161-K165 WeakPolarHBondContact O-CG 3.4Å; H161-K165 PolarHBondContact O-N 2.84Å; D162-K165 PolarHBondContact O-N 2.74Å; K165-L169 WeakPolarHBondContact O-CB 3.21Å; K165-L169 PolarHBondContact O-N 2.78Å; K165-E317 PolarHBondContact NZ-O 3.47Å; K165-E317 IonicContact NZ-OE2 3.45Å; K165-V326 HydrophobicContact CB-CG1 4.48Å; K165-V326 HydrophobicContact CB-CG2 4.1Å
166L98.7Very high96.9Very high0 Ų040.2 Ų40.20%021%0.21CC..Hα-helixtrans-69.2-40.6177.9-72.2165.2000112.4I141 D162 S164 L169 F170 I210 L212 L253 V322 F325 V326I141-L166 HydrophobicContact CD1-CB 3.84Å; D162-L166 WeakPolarHBondContact O-CB 3.3Å; D162-L166 WeakPolarHBondContact O-CD1 3.47Å; D162-L166 WeakPolarHBondContact O-CG 3.07Å; D162-L166 PolarHBondContact O-N 2.98Å; S164-L166 VanDerWaalsContact C-N 3.33Å; S164-L166 PolarHBondContact O-N 3.49Å; L166-L169 PolarHBondContact O-N 3.36Å; L166-F170 WeakPolarHBondContact O-CD2 3.38Å; L166-F170 PolarHBondContact O-N 3.04Å; L166-I210 HydrophobicContact CB-CD1 4.36Å; L166-I210 HydrophobicContact CD1-CD1 4.21Å; L166-I210 HydrophobicContact CD1-CG2 3.94Å; L166-I210 HydrophobicContact CD2-CD1 4.11Å; L166-I210 HydrophobicContact CG-CD1 4.47Å; L166-L212 HydrophobicContact CD1-CD1 4.23Å; L166-L212 HydrophobicContact CD1-CD2 4.01Å; L166-L253 HydrophobicContact CD2-CD2 4.41Å; L166-V322 HydrophobicContact CD1-CG1 3.82Å; L166-V322 HydrophobicContact CD1-CG2 4.31Å; L166-V322 HydrophobicContact CD2-CG1 4.15Å; L166-V322 HydrophobicContact CG-CG1 3.75Å; L166-F325 HydrophobicContact CD2-CD1 3.93Å; L166-F325 HydrophobicContact CD2-CE1 4.08Å; L166-V326 HydrophobicContact CD2-CG2 3.97Å; L166-V326 HydrophobicContact CG-CG2 4.36Å
167Q98.8Very high97.1Very high63 Ų6341 Ų4129%0.29422%0.216SC..Hα-helixtrans-57.8-54.8175.6176.1177.25.900110.7I141 A163 S164 L169 F170 E171 V177 V179I141-Q167 HydrophobicContact CD1-CB 4.23Å; A163-Q167 VanDerWaalsContact O-CB 3.31Å; A163-Q167 WeakPolarHBondContact O-CB 3.49Å; A163-Q167 PolarHBondContact O-N 3.02Å; S164-Q167 PolarHBondContact O-N 2.81Å; Q167-L169 VanDerWaalsContact C-N 3.3Å; Q167-L169 PolarHBondContact O-N 3.46Å; Q167-F170 PolarHBondContact O-N 3.5Å; Q167-E171 HydrophobicContact CG-CG 4.36Å; Q167-E171 VanDerWaalsContact CG-OE1 3.25Å; Q167-E171 WeakPolarHBondContact CG-OE1 3.37Å; Q167-E171 PolarHBondContact NE2-OE1 2.97Å; Q167-E171 WeakPolarHBondContact O-CB 3.38Å; Q167-E171 WeakPolarHBondContact O-CG 3.47Å; Q167-E171 PolarHBondContact O-N 2.88Å; Q167-V177 HydrophobicContact CB-CG1 4.25Å; Q167-V177 HydrophobicContact CG-CB 4.23Å; Q167-V177 HydrophobicContact CG-CG1 4Å; Q167-V179 HydrophobicContact CB-CG2 4.27Å; Q167-V179 HydrophobicContact CG-CG2 4.37Å
168I98.5Very high97.4Very high76 Ų7638.8 Ų38.839%0.3921%0.214SC..Hα-helixtrans-58.8-44.6180-62164.2000110.2S164 F170 E171 D172 R330S164-I168 VanDerWaalsContact O-CG1 3.29Å; S164-I168 WeakPolarHBondContact O-CG1 3.19Å; S164-I168 PolarHBondContact O-N 2.81Å; I168-F170 PolarHBondContact O-N 2.94Å; I168-E171 PolarHBondContact O-N 2.84Å; I168-D172 WeakPolarHBondContact O-CB 3.49Å; I168-D172 PolarHBondContact O-N 3.05Å; I168-R330 VanDerWaalsContact CG2-NH2 3.26Å
169L98.4Very high97.8Very high0 Ų040.8 Ų40.80%023%0.225CC..Hα-helixtrans-54.1-51.3177.6175.372000112.1K165 L166 Q167 D172 F173 F325 V326 T329 R330K165-L169 WeakPolarHBondContact O-CB 3.21Å; K165-L169 PolarHBondContact O-N 2.78Å; L166-L169 PolarHBondContact O-N 3.36Å; Q167-L169 VanDerWaalsContact C-N 3.3Å; Q167-L169 PolarHBondContact O-N 3.46Å; L169-D172 WeakPolarHBondContact O-CB 3.49Å; L169-D172 PolarHBondContact O-N 3.21Å; L169-F173 HydrophobicContact CD1-CD2 4.27Å; L169-F173 HydrophobicContact CD1-CE2 4.02Å; L169-F173 WeakPolarHBondContact O-CD2 3.39Å; L169-F173 PolarHBondContact O-N 3.4Å; L169-F325 HydrophobicContact CD2-CD1 4.25Å; L169-F325 HydrophobicContact CD2-CE1 3.87Å; L169-V326 HydrophobicContact CD2-CG2 4.08Å; L169-T329 HydrophobicContact CD1-CG2 3.91Å; L169-T329 HydrophobicContact CD2-CG2 4.05Å; L169-T329 HydrophobicContact CG-CG2 4.35Å; L169-R330 HydrophobicContact CD1-CG 3.66Å
170F98.3Very high98Very high0 Ų043.5 Ų43.50%024%0.239CC..Hα-helixtrans-74.8-31.2-176.2-82.9-75.9000112.9V139 L166 Q167 I168 D172 F173 M174 Y175 V177 V208 I210 L251 F325 L374V139-F170 HydrophobicContact CG1-CD2 4.22Å; V139-F170 HydrophobicContact CG1-CG 4.28Å; V139-F170 HydrophobicContact CG2-CB 3.85Å; V139-F170 HydrophobicContact CG2-CD1 3.74Å; V139-F170 HydrophobicContact CG2-CD2 4.48Å; V139-F170 HydrophobicContact CG2-CE1 4.45Å; V139-F170 HydrophobicContact CG2-CG 3.76Å; L166-F170 WeakPolarHBondContact O-CD2 3.38Å; L166-F170 PolarHBondContact O-N 3.04Å; Q167-F170 PolarHBondContact O-N 3.5Å; I168-F170 PolarHBondContact O-N 2.94Å; F170-D172 VanDerWaalsContact C-N 3.34Å; F170-F173 CarbonylContact O-C 3.52Å; F170-F173 PolarHBondContact O-N 2.84Å; F170-M174 PolarHBondContact O-N 2.77Å; F170-Y175 HydrophobicContact CD1-CD2 4.05Å; F170-Y175 HydrophobicContact CD1-CE2 4.38Å; F170-Y175 HydrophobicContact CD1-CG 4.17Å; F170-Y175 WeakPolarHBondContact O-CB 3.43Å; F170-Y175 PolarHBondContact O-N 2.63Å; F170-V177 HydrophobicContact CB-CG2 3.71Å; F170-V208 HydrophobicContact CD1-CG2 4.42Å; F170-V208 HydrophobicContact CE1-CB 4.48Å; F170-V208 HydrophobicContact CE1-CG1 4.22Å; F170-V208 HydrophobicContact CE1-CG2 3.85Å; F170-V208 HydrophobicContact CE2-CG1 4.37Å; F170-V208 HydrophobicContact CZ-CG1 3.88Å; F170-V208 HydrophobicContact CZ-CG2 4.34Å; F170-I210 HydrophobicContact CD2-CD1 4.13Å; F170-I210 HydrophobicContact CE2-CD1 3.59Å; F170-I210 HydrophobicContact CZ-CD1 4.43Å; F170-L251 HydrophobicContact CZ-CD2 4.18Å; F170-F325 HydrophobicContact CE2-CE1 4.44Å; F170-L374 HydrophobicContact CE1-CD2 4.16Å
171E98.2Very high98.1Very high80 Ų8048 Ų4837%0.37425%0.254SS..Hα-helixtrans-62-40.9169.5-72.5172.2175.200111.2Q167 I168 F173 M174 V177Q167-E171 HydrophobicContact CG-CG 4.36Å; Q167-E171 VanDerWaalsContact CG-OE1 3.25Å; Q167-E171 WeakPolarHBondContact CG-OE1 3.37Å; Q167-E171 PolarHBondContact NE2-OE1 2.97Å; Q167-E171 WeakPolarHBondContact O-CB 3.38Å; Q167-E171 WeakPolarHBondContact O-CG 3.47Å; Q167-E171 PolarHBondContact O-N 2.88Å; I168-E171 PolarHBondContact O-N 2.84Å; E171-F173 PolarHBondContact O-N 2.8Å; E171-M174 WeakPolarHBondContact O-CA 3.34Å; E171-M174 PolarHBondContact O-N 3.1Å; E171-V177 HydrophobicContact CG-CB 4.27Å; E171-V177 HydrophobicContact CG-CG2 3.74Å
172D96.7Very high98.2Very high91 Ų9146 Ų4649%0.48725%0.246SC..Hα-helixtrans-59.7-32.4173.8-67.7-28.5000111.6I168 L169 F170 M174 R330I168-D172 WeakPolarHBondContact O-CB 3.49Å; I168-D172 PolarHBondContact O-N 3.05Å; L169-D172 WeakPolarHBondContact O-CB 3.49Å; L169-D172 PolarHBondContact O-N 3.21Å; F170-D172 VanDerWaalsContact C-N 3.34Å; D172-M174 VanDerWaalsContact C-N 3.27Å; D172-M174 WeakPolarHBondContact O-CE 3.35Å; D172-M174 PolarHBondContact O-N 3.45Å; D172-R330 IonicContact OD2-CZ 3.99Å; D172-R330 IonicContact OD2-NE 3.92Å; D172-R330 IonicContact OD2-NH2 3.23Å; D172-R330 PolarHBondContact OD2-NH2 2.93Å
173F96.2Very high98.3Very high29 Ų2946.7 Ų46.713%0.12725%0.25CC..THydrogen-bonded Turntrans-8613.3172.8-80.6-83.9000113.9R136 L169 F170 E171 Y175 T329 G333 L374R136-F173 WeakPolarHBondContact CG-O 3.29Å; L169-F173 HydrophobicContact CD1-CD2 4.27Å; L169-F173 HydrophobicContact CD1-CE2 4.02Å; L169-F173 WeakPolarHBondContact O-CD2 3.39Å; L169-F173 PolarHBondContact O-N 3.4Å; F170-F173 CarbonylContact O-C 3.52Å; F170-F173 PolarHBondContact O-N 2.84Å; E171-F173 PolarHBondContact O-N 2.8Å; F173-Y175 VanDerWaalsContact C-N 3.33Å; F173-Y175 HydrophobicContact CB-CD2 3.95Å; F173-Y175 HydrophobicContact CB-CE2 4.14Å; F173-Y175 WeakPolarHBondContact O-CD2 3.38Å; F173-Y175 PolarHBondContact O-N 2.72Å; F173-T329 HydrophobicContact CE2-CG2 3.91Å; F173-T329 HydrophobicContact CZ-CG2 4.32Å; F173-G333 WeakPolarHBondContact CE1-O 3.38Å; F173-L374 HydrophobicContact CD1-CB 3.67Å; F173-L374 HydrophobicContact CD1-CD1 4.37Å; F173-L374 HydrophobicContact CD2-CD1 4.12Å; F173-L374 HydrophobicContact CE1-CB 4.03Å; F173-L374 HydrophobicContact CE1-CD1 4.39Å; F173-L374 HydrophobicContact CE2-CD1 4.17Å; F173-L374 HydrophobicContact CG-CB 4.08Å; F173-L374 HydrophobicContact CG-CD1 4.24Å; F173-L374 HydrophobicContact CZ-CD1 4.31Å
174M97.5Very high98.3Very high85 Ų8550.4 Ų50.442%0.41927%0.266SS..THydrogen-bonded Turntrans63.131.1177-51.5-68.3121.100114.3F134 P135 R136 F170 E171 D172F134-M174 HydrophobicContact CD2-CB 4.35Å; F134-M174 HydrophobicContact CE2-CB 4.08Å; F134-M174 HydrophobicContact CE2-CG 4.22Å; F134-M174 HydrophobicContact CE2-SD 3.84Å; P135-M174 CarbonylContact C-O 3.11Å; P135-M174 VanDerWaalsContact CA-O 3.29Å; P135-M174 WeakPolarHBondContact CA-O 3.47Å; P135-M174 WeakPolarHBondContact CB-O 3.33Å; R136-M174 HydrophobicContact CG-CB 4.11Å; R136-M174 PolarHBondContact N-O 3.4Å; F170-M174 PolarHBondContact O-N 2.77Å; E171-M174 WeakPolarHBondContact O-CA 3.34Å; E171-M174 PolarHBondContact O-N 3.1Å; D172-M174 VanDerWaalsContact C-N 3.27Å; D172-M174 WeakPolarHBondContact O-CE 3.35Å; D172-M174 PolarHBondContact O-N 3.45Å
175Y98.4Very high98.3Very high9 Ų947.6 Ų47.64%0.03525%0.247CC..  trans-87154.5166.8-74.2-107.5000111R136 G137 V139 F170 F173 A206 V208 Y372 L374R136-Y175 HydrophobicContact CB-CD1 4.25Å; R136-Y175 HydrophobicContact CB-CD2 3.8Å; R136-Y175 HydrophobicContact CB-CE1 4.07Å; R136-Y175 HydrophobicContact CB-CE2 3.57Å; R136-Y175 HydrophobicContact CB-CG 4.13Å; R136-Y175 HydrophobicContact CG-CD2 4.23Å; R136-Y175 HydrophobicContact CG-CE2 4.06Å; G137-Y175 WeakPolarHBondContact O-CD1 3.48Å; V139-Y175 HydrophobicContact CG2-CD1 3.61Å; V139-Y175 HydrophobicContact CG2-CG 3.81Å; F170-Y175 HydrophobicContact CD1-CD2 4.05Å; F170-Y175 HydrophobicContact CD1-CE2 4.38Å; F170-Y175 HydrophobicContact CD1-CG 4.17Å; F170-Y175 WeakPolarHBondContact O-CB 3.43Å; F170-Y175 PolarHBondContact O-N 2.63Å; F173-Y175 VanDerWaalsContact C-N 3.33Å; F173-Y175 HydrophobicContact CB-CD2 3.95Å; F173-Y175 HydrophobicContact CB-CE2 4.14Å; F173-Y175 WeakPolarHBondContact O-CD2 3.38Å; F173-Y175 PolarHBondContact O-N 2.72Å; Y175-A206 HydrophobicContact CE1-CB 3.86Å; Y175-V208 HydrophobicContact CD1-CG2 4.45Å; Y175-V208 HydrophobicContact CE1-CG2 4.06Å; Y175-Y372 PolarHBondContact OH-OH 2.93Å; Y175-L374 HydrophobicContact CE2-CB 4.47Å; Y175-L374 WeakPolarHBondContact CE2-O 3.5Å; Y175-L374 PolarHBondContact OH-O 3.26Å; Y175-L374 VanDerWaalsContact OH-O 3.06Å
176S98.6Very high98.3Very high54 Ų5450.4 Ų50.438%0.37826%0.261SS..EExtended strand (participates in β ladder)trans-91.7114.4168.4175.20000109G137 Y138 V139G137-S176 PolarHBondContact O-N 3.15Å; Y138-S176 WeakPolarHBondContact CA-O 3.49Å; V139-S176 PolarHBondContact N-O 2.94Å
177V98.8Very high98.3Very high24 Ų2455.1 Ų55.115%0.14528%0.282CS..EExtended strand (participates in β ladder)trans-103.6133.7-173.4-171.10000110.9V139 I141 Q167 F170 E171 V179V139-V177 HydrophobicContact CB-CB 4.33Å; V139-V177 HydrophobicContact CB-CG1 4.13Å; V139-V177 HydrophobicContact CB-CG2 4Å; V139-V177 HydrophobicContact CG1-CG1 4.11Å; V139-V177 HydrophobicContact CG2-CG2 4.23Å; V139-V177 WeakPolarHBondContact O-CA 3.24Å; I141-V177 HydrophobicContact CD1-CG1 3.73Å; I141-V177 HydrophobicContact CG1-CG1 4.01Å; Q167-V177 HydrophobicContact CB-CG1 4.25Å; Q167-V177 HydrophobicContact CG-CB 4.23Å; Q167-V177 HydrophobicContact CG-CG1 4Å; F170-V177 HydrophobicContact CB-CG2 3.71Å; E171-V177 HydrophobicContact CG-CB 4.27Å; E171-V177 HydrophobicContact CG-CG2 3.74Å; V177-V179 HydrophobicContact CG1-CG2 4.28Å
178A98.7Very high98.3Very high51 Ų5152.1 Ų52.142%0.42127%0.268SS..EExtended strand (participates in β ladder)trans-118.5131.416800000109.4V139 I141V139-A178 PolarHBondContact O-N 2.84Å; I141-A178 PolarHBondContact N-O 3.38Å
179V98.8Very high98.2Very high48 Ų4850.2 Ų50.229%0.29126%0.256SS..EExtended strand (participates in β ladder)trans-113.2123.2176.8-172.50000108.9I141 A163 Q167 V177I141-V179 HydrophobicContact CB-CG1 4.37Å; I141-V179 HydrophobicContact CB-CG2 4.19Å; I141-V179 HydrophobicContact CD1-CG2 4.28Å; I141-V179 HydrophobicContact CG2-CG1 4.4Å; I141-V179 CarbonylContact O-C 3.53Å; I141-V179 WeakPolarHBondContact O-CA 3.37Å; A163-V179 HydrophobicContact CB-CG1 4.37Å; Q167-V179 HydrophobicContact CB-CG2 4.27Å; Q167-V179 HydrophobicContact CG-CG2 4.37Å; V177-V179 HydrophobicContact CG1-CG2 4.28Å
180I98.7Very high98.2Very high58 Ų5855.8 Ų55.830%0.29728%0.281SS..EExtended strand (participates in β ladder)trans-120.1132.3177.1-54.4-179.8000108.5L140 I141 I142 N143 L183 V191L140-I180 HydrophobicContact CD1-CD1 3.78Å; L140-I180 HydrophobicContact CD1-CG1 4.04Å; I141-I180 PolarHBondContact O-N 2.84Å; I142-I180 WeakPolarHBondContact CA-O 3.39Å; N143-I180 PolarHBondContact N-O 3.23Å; I180-L183 HydrophobicContact CB-CD1 4.45Å; I180-L183 HydrophobicContact CG2-CD1 3.83Å; I180-L183 HydrophobicContact CG2-CD2 3.63Å; I180-L183 HydrophobicContact CG2-CG 3.72Å; I180-V191 HydrophobicContact CD1-CG1 3.64Å
181K98.5Very high98.3Very high130 Ų13056.9 Ų56.957%0.56529%0.287SS*.EExtended strand (participates in β ladder)trans-107146-173.5-61.2-176.5-178.5-176.50111.6N143 L183N143-K181 CarbonylContact O-C 3.55Å; N143-K181 VanDerWaalsContact O-CA 3.25Å; N143-K181 WeakPolarHBondContact O-CA 3.37Å; K181-L183 PolarHBondContact O-N 2.95Å
182N98.3Very high98.3Very high47 Ų4753.1 Ų53.125%0.25127%0.27SS..SBendtrans49.555.2163.1-50.6-27.9000113.5N143 E145 D146 S223N143-N182 PolarHBondContact O-N 3.01Å; E145-N182 PolarHBondContact N-OD1 3.41Å; D146-N182 WeakPolarHBondContact CB-ND2 3.36Å; D146-N182 PolarHBondContact N-OD1 2.82Å; D146-N182 PolarHBondContact OD2-ND2 3.45Å; N182-S223 PolarHBondContact O-OG 3.21Å
183L98.6Very high98.3Very high16 Ų1654.1 Ų54.18%0.08427%0.267CS..  trans-79.3131.5177.3-70.2177.6000111.5I142 I180 K181 K187 L188 V191 A222 S223I142-L183 HydrophobicContact CD1-CD1 4.3Å; I142-L183 HydrophobicContact CG2-CD1 4.05Å; I180-L183 HydrophobicContact CB-CD1 4.45Å; I180-L183 HydrophobicContact CG2-CD1 3.83Å; I180-L183 HydrophobicContact CG2-CD2 3.63Å; I180-L183 HydrophobicContact CG2-CG 3.72Å; K181-L183 PolarHBondContact O-N 2.95Å; L183-K187 HydrophobicContact CD2-CB 4.07Å; L183-L188 HydrophobicContact CB-CB 4.16Å; L183-L188 HydrophobicContact CD1-CD1 4.36Å; L183-V191 HydrophobicContact CD1-CB 4.01Å; L183-V191 HydrophobicContact CD1-CG1 4.04Å; L183-V191 HydrophobicContact CD1-CG2 4.04Å; L183-V191 HydrophobicContact CD2-CG2 4.4Å; L183-A222 WeakPolarHBondContact O-CB 3.31Å; L183-S223 PolarHBondContact O-N 2.96Å; L183-S223 PolarHBondContact O-OG 3.38Å
184E98.4Very high98.4Very high81 Ų8157.9 Ų57.938%0.37929%0.285SS..  trans-64.5156.8164.4-69.8164.4-153.200111.2E186 K187 L188 S223 D224E184-E186 PolarHBondContact O-N 3.3Å; E184-K187 HydrophobicContact CB-CD 4.27Å; E184-K187 HydrophobicContact CB-CG 4.49Å; E184-K187 CarbonylContact O-C 3.16Å; E184-K187 PolarHBondContact O-N 3.24Å; E184-K187 VanDerWaalsContact O-N 3.07Å; E184-K187 IonicContact OE1-NZ 3.79Å; E184-K187 PolarHBondContact OE1-NZ 3.14Å; E184-K187 WeakPolarHBondContact OE2-CE 3.45Å; E184-K187 IonicContact OE2-NZ 3.85Å; E184-K187 PolarHBondContact OE2-NZ 3.08Å; E184-L188 WeakPolarHBondContact O-CB 3.47Å; E184-L188 PolarHBondContact O-N 3.28Å; E184-S223 PolarHBondContact N-OG 2.62Å; E184-S223 VanDerWaalsContact N-OG 3.15Å; E184-D224 HydrophobicContact CB-CB 4.45Å; E184-D224 VanDerWaalsContact CB-OD2 3.31Å; E184-D224 WeakPolarHBondContact CB-OD2 2.97Å; E184-D224 HydrophobicContact CG-CB 4.09Å
185G98.3Very high98.5Very high0 Ų054.8 Ų54.80%027%0.269CS..Hα-helixtrans-56.6-45.6-170.400000114.9L188 K189 A222 D224G185-L188 WeakPolarHBondContact O-CB 3.28Å; G185-L188 PolarHBondContact O-N 2.66Å; G185-K189 PolarHBondContact O-N 2.8Å; G185-A222 VanDerWaalsContact CA-CB 3.49Å; G185-A222 VanDerWaalsContact N-CB 3.35Å; G185-D224 PolarHBondContact N-OD1 3.2Å; G185-D224 PolarHBondContact N-OD2 3.21Å
186E98.2Very high98.4Very high116 Ų11654.5 Ų54.554%0.54227%0.268SS..Hα-helixtrans-67.5-38.3177.6-69-53.3137.500112.4E184 K189 K190E184-E186 PolarHBondContact O-N 3.3Å; E186-K189 VanDerWaalsContact CD-CE 3.45Å; E186-K189 VanDerWaalsContact OE1-CE 3.29Å; E186-K189 WeakPolarHBondContact OE1-CE 3.3Å; E186-K189 IonicContact OE1-NZ 3.98Å; E186-K189 PolarHBondContact OE1-NZ 3.42Å; E186-K189 WeakPolarHBondContact OE2-CE 3.48Å; E186-K189 IonicContact OE2-NZ 3.55Å; E186-K189 PolarHBondContact OE2-NZ 3.48Å; E186-K189 VanDerWaalsContact OE2-NZ 3.08Å; E186-K190 WeakPolarHBondContact O-CB 3.26Å; E186-K190 PolarHBondContact O-N 3.23Å
187K98.6Very high98.3Very high100 Ų10055.3 Ų55.344%0.43527%0.273SS..Hα-helixtrans-68.5-38.2177.3-66.8175.2-178.31440111L183 E184 K190 V191L183-K187 HydrophobicContact CD2-CB 4.07Å; E184-K187 HydrophobicContact CB-CD 4.27Å; E184-K187 HydrophobicContact CB-CG 4.49Å; E184-K187 CarbonylContact O-C 3.16Å; E184-K187 PolarHBondContact O-N 3.24Å; E184-K187 VanDerWaalsContact O-N 3.07Å; E184-K187 IonicContact OE1-NZ 3.79Å; E184-K187 PolarHBondContact OE1-NZ 3.14Å; E184-K187 WeakPolarHBondContact OE2-CE 3.45Å; E184-K187 IonicContact OE2-NZ 3.85Å; E184-K187 PolarHBondContact OE2-NZ 3.08Å; K187-K190 PolarHBondContact O-N 3.27Å; K187-V191 WeakPolarHBondContact O-CB 3.41Å; K187-V191 VanDerWaalsContact O-CG2 3.26Å; K187-V191 WeakPolarHBondContact O-CG2 3.48Å; K187-V191 PolarHBondContact O-N 2.67Å
188L98.7Very high98.1Very high0 Ų056.9 Ų56.90%028%0.278CS..Hα-helixtrans-56.3-53.4174.5174.455.7000111.1I142 I144 L183 E184 G185 K190 V191 V192 I220 A222 V228 L233I142-L188 HydrophobicContact CD1-CD1 3.44Å; I142-L188 VanDerWaalsContact CD1-CD1 3.44Å; I142-L188 HydrophobicContact CG2-CD1 3.96Å; I144-L188 HydrophobicContact CD1-CD2 4.37Å; L183-L188 HydrophobicContact CB-CB 4.16Å; L183-L188 HydrophobicContact CD1-CD1 4.36Å; E184-L188 WeakPolarHBondContact O-CB 3.47Å; E184-L188 PolarHBondContact O-N 3.28Å; G185-L188 WeakPolarHBondContact O-CB 3.28Å; G185-L188 PolarHBondContact O-N 2.66Å; L188-K190 VanDerWaalsContact C-N 3.32Å; L188-K190 PolarHBondContact O-N 2.92Å; L188-V191 PolarHBondContact O-N 3.5Å; L188-V192 HydrophobicContact CD1-CG2 4.15Å; L188-V192 WeakPolarHBondContact O-CG2 3.35Å; L188-V192 PolarHBondContact O-N 3.26Å; L188-I220 HydrophobicContact CD2-CG2 4.08Å; L188-A222 HydrophobicContact CD2-CB 4.42Å; L188-V228 HydrophobicContact CD2-CB 4.07Å; L188-V228 HydrophobicContact CD2-CG1 4.33Å; L188-V228 HydrophobicContact CD2-CG2 4Å; L188-L233 HydrophobicContact CD2-CD1 4.36Å; L188-L233 HydrophobicContact CG-CD1 4.44Å; L188-L233 HydrophobicContact CG-CD2 4.33Å
189K98.3Very high98.1Very high35 Ų3558.8 Ų58.815%0.15229%0.286CS..Hα-helixtrans-58.5-43.8177-68.6-179.1-68.81800112G185 E186 R193 V228 E232 L233G185-K189 PolarHBondContact O-N 2.8Å; E186-K189 VanDerWaalsContact CD-CE 3.45Å; E186-K189 VanDerWaalsContact OE1-CE 3.29Å; E186-K189 WeakPolarHBondContact OE1-CE 3.3Å; E186-K189 IonicContact OE1-NZ 3.98Å; E186-K189 PolarHBondContact OE1-NZ 3.42Å; E186-K189 WeakPolarHBondContact OE2-CE 3.48Å; E186-K189 IonicContact OE2-NZ 3.55Å; E186-K189 PolarHBondContact OE2-NZ 3.48Å; E186-K189 VanDerWaalsContact OE2-NZ 3.08Å; K189-R193 WeakPolarHBondContact O-CB 3.27Å; K189-R193 PolarHBondContact O-N 3.45Å; K189-R193 VanDerWaalsContact O-N 3.16Å; K189-V228 HydrophobicContact CD-CG1 4.11Å; K189-V228 HydrophobicContact CG-CG1 3.56Å; K189-V228 HydrophobicContact CG-CG2 4.38Å; K189-E232 WeakPolarHBondContact CD-OE1 3.46Å; K189-E232 VanDerWaalsContact CD-OE2 3.26Å; K189-E232 WeakPolarHBondContact CD-OE2 3.43Å; K189-L233 HydrophobicContact CG-CD2 4.41Å
190K98.4Very high98Very high117 Ų11760 Ų6051%0.50929%0.289SS..Hα-helixtrans-62.8-51179.2-179178.5170.9-178.70112E186 K187 L188 V192 R193 E194E186-K190 WeakPolarHBondContact O-CB 3.26Å; E186-K190 PolarHBondContact O-N 3.23Å; K187-K190 PolarHBondContact O-N 3.27Å; L188-K190 VanDerWaalsContact C-N 3.32Å; L188-K190 PolarHBondContact O-N 2.92Å; K190-V192 PolarHBondContact O-N 3.4Å; K190-R193 WeakPolarHBondContact O-CB 3.33Å; K190-R193 PolarHBondContact O-N 3.05Å; K190-E194 WeakPolarHBondContact CE-OE1 3.3Å; K190-E194 HydrophobicContact CG-CG 4.45Å; K190-E194 IonicContact NZ-OE1 3.08Å; K190-E194 WeakPolarHBondContact O-CG 3.08Å; K190-E194 PolarHBondContact O-N 2.89Å
191V98.7Very high98Very high24 Ų2457.3 Ų57.315%0.14528%0.275CS..Hα-helixtrans-62.2-43.2-177.8164.70000111.6L140 I180 L183 K187 L188 R193 E194 F195L140-V191 HydrophobicContact CD1-CG1 4.46Å; L140-V191 HydrophobicContact CD2-CG1 3.91Å; I180-V191 HydrophobicContact CD1-CG1 3.64Å; L183-V191 HydrophobicContact CD1-CB 4.01Å; L183-V191 HydrophobicContact CD1-CG1 4.04Å; L183-V191 HydrophobicContact CD1-CG2 4.04Å; L183-V191 HydrophobicContact CD2-CG2 4.4Å; K187-V191 WeakPolarHBondContact O-CB 3.41Å; K187-V191 VanDerWaalsContact O-CG2 3.26Å; K187-V191 WeakPolarHBondContact O-CG2 3.48Å; K187-V191 PolarHBondContact O-N 2.67Å; L188-V191 PolarHBondContact O-N 3.5Å; V191-R193 VanDerWaalsContact C-N 3.33Å; V191-R193 PolarHBondContact O-N 3.48Å; V191-E194 PolarHBondContact O-N 2.89Å; V191-F195 WeakPolarHBondContact O-CB 3.37Å; V191-F195 PolarHBondContact O-N 3.45Å
192V98.5Very high98Very high0 Ų054 Ų540%027%0.268CS..Hα-helixtrans-64-40.1177.3171.40000111.3I142 L188 K190 F195 A196 L209 L233 C236 F237I142-V192 HydrophobicContact CD1-CG2 3.55Å; L188-V192 HydrophobicContact CD1-CG2 4.15Å; L188-V192 WeakPolarHBondContact O-CG2 3.35Å; L188-V192 PolarHBondContact O-N 3.26Å; K190-V192 PolarHBondContact O-N 3.4Å; V192-F195 PolarHBondContact O-N 3.17Å; V192-A196 WeakPolarHBondContact O-CB 3.48Å; V192-A196 PolarHBondContact O-N 2.93Å; V192-L209 HydrophobicContact CG1-CD2 4.05Å; V192-L209 HydrophobicContact CG2-CD1 4.31Å; V192-L209 HydrophobicContact CG2-CD2 4.39Å; V192-L233 HydrophobicContact CB-CD2 4.04Å; V192-L233 HydrophobicContact CG1-CB 4.34Å; V192-L233 HydrophobicContact CG1-CD2 4.21Å; V192-L233 HydrophobicContact CG2-CD2 4.02Å; V192-C236 HydrophobicContact CG1-CB 4.3Å; V192-F237 HydrophobicContact CG1-CE2 3.89Å; V192-F237 HydrophobicContact CG1-CZ 4.47Å
193R97.8Very high97.9Very high113 Ų11357.7 Ų57.743%0.42629%0.288SS..Hα-helixtrans-64.1-45.3175.1-172-175.6-59.1108.22.1112.1K189 K190 V191 F195 A196 C197 E232K189-R193 WeakPolarHBondContact O-CB 3.27Å; K189-R193 PolarHBondContact O-N 3.45Å; K189-R193 VanDerWaalsContact O-N 3.16Å; K190-R193 WeakPolarHBondContact O-CB 3.33Å; K190-R193 PolarHBondContact O-N 3.05Å; V191-R193 VanDerWaalsContact C-N 3.33Å; V191-R193 PolarHBondContact O-N 3.48Å; R193-F195 VanDerWaalsContact C-N 3.33Å; R193-F195 PolarHBondContact O-N 3.06Å; R193-A196 PolarHBondContact O-N 3.33Å; R193-C197 WeakPolarHBondContact O-CB 3.3Å; R193-C197 PolarHBondContact O-N 2.86Å; R193-C197 PolarHBondContact O-SG 3.21Å; R193-E232 IonicContact NH2-OE1 2.66Å
194E98.3Very high97.9Very high108 Ų10857 Ų5751%0.50528%0.284SS..Hα-helixtrans-62.2-41.8177.2-74.9173.917200111.4K190 V191 C197 K198K190-E194 WeakPolarHBondContact CE-OE1 3.3Å; K190-E194 HydrophobicContact CG-CG 4.45Å; K190-E194 IonicContact NZ-OE1 3.08Å; K190-E194 WeakPolarHBondContact O-CG 3.08Å; K190-E194 PolarHBondContact O-N 2.89Å; V191-E194 PolarHBondContact O-N 2.89Å; E194-C197 CarbonylContact O-C 3.56Å; E194-C197 PolarHBondContact O-N 3.3Å; E194-K198 PolarHBondContact O-N 2.98Å; E194-K198 VanDerWaalsContact O-N 3.08Å
195F98.6Very high97.9Very high20 Ų2055.6 Ų55.69%0.08828%0.278CS..Hα-helixtrans-63.3-44174.8175.5-103.3000112.3L140 V191 V192 R193 C197 K198 H201 A207 V208 F237L140-F195 HydrophobicContact CB-CD1 4.02Å; L140-F195 HydrophobicContact CB-CD2 3.64Å; L140-F195 HydrophobicContact CB-CE1 4Å; L140-F195 HydrophobicContact CB-CE2 3.62Å; L140-F195 HydrophobicContact CB-CG 3.83Å; L140-F195 HydrophobicContact CB-CZ 3.8Å; L140-F195 HydrophobicContact CD2-CB 3.57Å; L140-F195 HydrophobicContact CD2-CD1 4.06Å; L140-F195 HydrophobicContact CD2-CD2 4.15Å; L140-F195 HydrophobicContact CD2-CG 3.67Å; L140-F195 HydrophobicContact CG-CD2 4.46Å; L140-F195 HydrophobicContact CG-CG 4.38Å; V191-F195 WeakPolarHBondContact O-CB 3.37Å; V191-F195 PolarHBondContact O-N 3.45Å; V192-F195 PolarHBondContact O-N 3.17Å; R193-F195 VanDerWaalsContact C-N 3.33Å; R193-F195 PolarHBondContact O-N 3.06Å; F195-C197 VanDerWaalsContact C-N 3.29Å; F195-C197 PolarHBondContact O-N 2.82Å; F195-K198 VanDerWaalsContact O-CB 3.31Å; F195-K198 WeakPolarHBondContact O-CB 3.47Å; F195-K198 PolarHBondContact O-N 3.49Å; F195-H201 PolarHBondContact O-CD2 3.25Å; F195-H201 PolarHBondContact O-NE2 3.31Å; F195-A207 HydrophobicContact CE1-CB 4.49Å; F195-A207 HydrophobicContact CZ-CB 4.35Å; F195-V208 WeakPolarHBondContact CZ-O 3.43Å; F195-F237 HydrophobicContact CD1-CE1 4.01Å; F195-F237 AromaticContact CD1-CZ 3.78Å; F195-F237 HydrophobicContact CD1-CZ 3.78Å; F195-F237 AromaticContact CE1-CE1 3.92Å; F195-F237 HydrophobicContact CE1-CE1 3.92Å; F195-F237 AromaticContact CE1-CZ 3.98Å; F195-F237 HydrophobicContact CE1-CZ 3.98Å
196A96.9Very high97.9Very high2 Ų255.6 Ų55.62%0.01728%0.278CS..Hα-helixtrans-62.8-36.3176.400000112.2V192 R193 K198 C236 F237 C242V192-A196 WeakPolarHBondContact O-CB 3.48Å; V192-A196 PolarHBondContact O-N 2.93Å; R193-A196 PolarHBondContact O-N 3.33Å; A196-K198 VanDerWaalsContact C-N 3.35Å; A196-C236 HydrophobicContact CB-CB 3.87Å; A196-F237 HydrophobicContact CB-CD1 4.38Å; A196-F237 HydrophobicContact CB-CE1 4.2Å; A196-F237 HydrophobicContact CB-CZ 4.32Å; A196-C242 PolarHBondContact O-SG 3.49Å
197C95.5Very high97.9Very high72 Ų7250.1 Ų50.149%0.48625%0.252SS..THydrogen-bonded Turntrans-89.66.9-178.8-660000114.5R193 E194 F195R193-C197 WeakPolarHBondContact O-CB 3.3Å; R193-C197 PolarHBondContact O-N 2.86Å; R193-C197 PolarHBondContact O-SG 3.21Å; E194-C197 CarbonylContact O-C 3.56Å; E194-C197 PolarHBondContact O-N 3.3Å; F195-C197 VanDerWaalsContact C-N 3.29Å; F195-C197 PolarHBondContact O-N 2.82Å
198K95.5Very high97.9Very high57 Ų5745.4 Ų45.425%0.24823%0.231CC..  trans-58.1120.7-175.3-174.9173.7-174.9-173.60111.3Y138 E194 F195 A196 E200 H201Y138-K198 HydrophobicContact CD2-CD 4.34Å; Y138-K198 VanDerWaalsContact CE1-NZ 3.33Å; Y138-K198 HydrophobicContact CG-CD 4.46Å; E194-K198 PolarHBondContact O-N 2.98Å; E194-K198 VanDerWaalsContact O-N 3.08Å; F195-K198 VanDerWaalsContact O-CB 3.31Å; F195-K198 WeakPolarHBondContact O-CB 3.47Å; F195-K198 PolarHBondContact O-N 3.49Å; A196-K198 VanDerWaalsContact C-N 3.35Å; K198-E200 WeakPolarHBondContact CE-OE1 3.34Å; K198-E200 WeakPolarHBondContact CE-OE2 3.24Å; K198-E200 HydrophobicContact CG-CB 4.25Å; K198-E200 WeakPolarHBondContact CG-OE2 3.42Å; K198-E200 IonicContact NZ-OE1 3.95Å; K198-E200 PolarHBondContact O-N 3.06Å; K198-H201 VanDerWaalsContact O-CB 3.31Å; K198-H201 WeakPolarHBondContact O-CB 3.29Å; K198-H201 PolarHBondContact O-CD2 2.96Å; K198-H201 VanDerWaalsContact O-CD2 3.31Å; K198-H201 PolarHBondContact O-N 3.15Å; K198-H201 VanDerWaalsContact O-N 3.08Å
199P97.7Very high97.9Very high90 Ų9045.5 Ų45.558%0.58423%0.232SC*.G310 helixtrans-62.6-27.8-175.121.5-30.5000113.3H201 S202P199-H201 PolarHBondContact O-N 2.73Å; P199-H201 VanDerWaalsContact O-N 3.16Å; P199-S202 WeakPolarHBondContact O-CB 3.47Å; P199-S202 PolarHBondContact O-N 3.22Å; P199-S202 VanDerWaalsContact O-N 3.15Å; P199-S202 PolarHBondContact O-OG 3.27Å
200E97.9Very high97.9Very high75 Ų7543.8 Ų43.835%0.3523%0.225SC..G310 helixtrans-66-14.4178-58.694127.100113.2Y138 K198 S202 N203Y138-E200 HydrophobicContact CE2-CB 3.58Å; Y138-E200 WeakPolarHBondContact OH-CB 3.35Å; K198-E200 WeakPolarHBondContact CE-OE1 3.34Å; K198-E200 WeakPolarHBondContact CE-OE2 3.24Å; K198-E200 HydrophobicContact CG-CB 4.25Å; K198-E200 WeakPolarHBondContact CG-OE2 3.42Å; K198-E200 IonicContact NZ-OE1 3.95Å; K198-E200 PolarHBondContact O-N 3.06Å; E200-S202 PolarHBondContact O-N 3.02Å; E200-S202 VanDerWaalsContact O-N 3.17Å; E200-N203 PolarHBondContact O-N 3.4Å
201H98.3Very high98Very high0 Ų038.4 Ų38.40%020%0.201CC..G310 helixtrans-57.6-25.9170.8-77.1-41.8000112.7Y138 F195 K198 P199 N203 V204 L244 L245 K248Y138-H201 AromaticContact CD2-CE1 3.97Å; Y138-H201 AromaticContact CD2-ND1 3.73Å; F195-H201 PolarHBondContact O-CD2 3.25Å; F195-H201 PolarHBondContact O-NE2 3.31Å; K198-H201 VanDerWaalsContact O-CB 3.31Å; K198-H201 WeakPolarHBondContact O-CB 3.29Å; K198-H201 PolarHBondContact O-CD2 2.96Å; K198-H201 VanDerWaalsContact O-CD2 3.31Å; K198-H201 PolarHBondContact O-N 3.15Å; K198-H201 VanDerWaalsContact O-N 3.08Å; P199-H201 PolarHBondContact O-N 2.73Å; P199-H201 VanDerWaalsContact O-N 3.16Å; H201-N203 PolarHBondContact O-N 3.35Å; H201-V204 PolarHBondContact O-N 2.79Å; H201-L244 HydrophobicContact CB-CB 3.83Å; H201-L245 HydrophobicContact CB-CD2 3.77Å; H201-L245 HydrophobicContact CB-CG 3.98Å; H201-K248 PolarHBondContact O-NZ 3.04Å
202S97.6Very high97.9Very high60 Ų6037.2 Ų37.242%0.4219%0.194SC..G310 helixtrans-54.6-35.1172.855.10000113P199 E200 K248P199-S202 WeakPolarHBondContact O-CB 3.47Å; P199-S202 PolarHBondContact O-N 3.22Å; P199-S202 VanDerWaalsContact O-N 3.15Å; P199-S202 PolarHBondContact O-OG 3.27Å; E200-S202 PolarHBondContact O-N 3.02Å; E200-S202 VanDerWaalsContact O-N 3.17Å; S202-K248 PolarHBondContact O-NZ 3.27Å
203N97.9Very high97.9Very high125 Ų12537.4 Ų37.467%0.66820%0.195SC*.G310 helixtrans-96.6-2.1-171.3-60.7-40.8000114.4E200 H201E200-N203 PolarHBondContact O-N 3.4Å; H201-N203 PolarHBondContact O-N 3.35Å
204V98.2Very high97.8Very high2 Ų233.9 Ų33.91%0.01218%0.184CC..  trans-122.6170.3-178.6-580000111.3P135 Y138 H201 K248P135-V204 HydrophobicContact CG-CG1 4.01Å; P135-V204 WeakPolarHBondContact O-CG1 3.4Å; Y138-V204 HydrophobicContact CD2-CG1 4.31Å; Y138-V204 HydrophobicContact CD2-CG2 3.84Å; Y138-V204 HydrophobicContact CE2-CG1 3.75Å; Y138-V204 HydrophobicContact CE2-CG2 3.91Å; H201-V204 PolarHBondContact O-N 2.79Å; V204-K248 WeakPolarHBondContact O-CD 3.26Å; V204-K248 VanDerWaalsContact O-CE 3.25Å; V204-K248 WeakPolarHBondContact O-CE 3.39Å; V204-K248 PolarHBondContact O-NZ 3.14Å
205H98Very high97.6Very high52 Ų5229.1 Ų29.124%0.24116%0.164CC..SBendtrans-108.6-16.1-171.3-68.2151000114.9T130 T132 S133 R136 K248 P249T130-H205 WeakPolarHBondContact O-CB 3.47Å; T130-H205 VanDerWaalsContact O-CG 3.3Å; T130-H205 PolarHBondContact O-ND1 3.07Å; T132-H205 PolarHBondContact N-ND1 2.82Å; T132-H205 PolarHBondContact OG1-CE1 2.86Å; T132-H205 VanDerWaalsContact OG1-CE1 3.3Å; S133-H205 PolarHBondContact N-CE1 3.25Å; S133-H205 VanDerWaalsContact N-CE1 3.34Å; S133-H205 PolarHBondContact N-ND1 2.8Å; S133-H205 WeakPolarHBondContact OG-CB 3.3Å; S133-H205 PolarHBondContact OG-N 2.84Å; S133-H205 PolarHBondContact OG-ND1 3.25Å; S133-H205 VanDerWaalsContact OG-ND1 3.1Å; R136-H205 PolarHBondContact O-N 2.83Å; H205-K248 VanDerWaalsContact O-CB 3.31Å; H205-K248 WeakPolarHBondContact O-CB 3.47Å; H205-P249 VanDerWaalsContact O-CD 3.3Å; H205-P249 WeakPolarHBondContact O-CD 3.5Å
206A98.2Very high97.3Very high0 Ų031.3 Ų31.30%018%0.176CC..EExtended strand (participates in β ladder)trans-143163.9-178.300000111.2V131 R136 G137 Y138 Y175 P249 Y372V131-A206 HydrophobicContact CG1-CB 4.38Å; R136-A206 PolarHBondContact O-N 2.86Å; R136-A206 VanDerWaalsContact O-N 3.11Å; G137-A206 WeakPolarHBondContact CA-O 3.43Å; Y138-A206 PolarHBondContact N-O 3.06Å; Y175-A206 HydrophobicContact CE1-CB 3.86Å; A206-P249 WeakPolarHBondContact CA-O 3.44Å; A206-P249 HydrophobicContact CB-CG 4.12Å; A206-Y372 HydrophobicContact CB-CE2 4.31Å
207A98.5Very high96.8Very high1 Ų134.6 Ų34.61%0.00819%0.191CC..EExtended strand (participates in β ladder)trans-139.7147.6167.600000110.8Y138 F195 L245 P249 K250 L251Y138-A207 WeakPolarHBondContact O-CA 3.43Å; F195-A207 HydrophobicContact CE1-CB 4.49Å; F195-A207 HydrophobicContact CZ-CB 4.35Å; A207-L245 HydrophobicContact CB-CD1 3.36Å; A207-L245 HydrophobicContact CB-CD2 4.04Å; A207-L245 HydrophobicContact CB-CG 4.38Å; A207-P249 PolarHBondContact N-O 2.73Å; A207-K250 WeakPolarHBondContact O-CA 3.39Å; A207-L251 PolarHBondContact O-N 3.37Å
208V98.8Very high96.5Very high0 Ų034.5 Ų34.50%018%0.183CC..EExtended strand (participates in β ladder)trans-131.6131.3178.4-173.30000109.6Y138 V139 L140 F170 Y175 F195 I210 L251Y138-V208 PolarHBondContact O-N 2.86Å; V139-V208 CarbonylContact C-O 3.55Å; V139-V208 VanDerWaalsContact CA-O 3.3Å; V139-V208 WeakPolarHBondContact CA-O 3.32Å; V139-V208 HydrophobicContact CB-CB 4.22Å; V139-V208 HydrophobicContact CG1-CB 4.04Å; V139-V208 HydrophobicContact CG1-CG1 4.19Å; V139-V208 HydrophobicContact CG2-CB 3.83Å; V139-V208 HydrophobicContact CG2-CG2 4.01Å; L140-V208 PolarHBondContact N-O 3.15Å; F170-V208 HydrophobicContact CD1-CG2 4.42Å; F170-V208 HydrophobicContact CE1-CB 4.48Å; F170-V208 HydrophobicContact CE1-CG1 4.22Å; F170-V208 HydrophobicContact CE1-CG2 3.85Å; F170-V208 HydrophobicContact CE2-CG1 4.37Å; F170-V208 HydrophobicContact CZ-CG1 3.88Å; F170-V208 HydrophobicContact CZ-CG2 4.34Å; Y175-V208 HydrophobicContact CD1-CG2 4.45Å; Y175-V208 HydrophobicContact CE1-CG2 4.06Å; F195-V208 WeakPolarHBondContact CZ-O 3.43Å; V208-I210 HydrophobicContact CG1-CD1 4.2Å; V208-I210 HydrophobicContact CG1-CG1 3.86Å; V208-L251 CarbonylContact C-O 3.44Å; V208-L251 WeakPolarHBondContact CA-O 3.27Å; V208-L251 HydrophobicContact CG1-CB 4.13Å; V208-L251 HydrophobicContact CG1-CD2 4.12Å; V208-L251 HydrophobicContact CG1-CG 4.15Å; V208-L251 HydrophobicContact CG2-CB 4.2Å
209L98.8Very high96.5Very high2 Ų235 Ų351%0.0119%0.186CC..EExtended strand (participates in β ladder)trans-114.4130.4168.717263.1000108.1L140 I142 V192 I211 F237 L251 I252 L253L140-L209 HydrophobicContact CB-CD1 4.28Å; L140-L209 HydrophobicContact CD2-CD1 3.99Å; L140-L209 HydrophobicContact CG-CD1 4.1Å; L140-L209 WeakPolarHBondContact O-CA 3.5Å; I142-L209 HydrophobicContact CD1-CD1 4.14Å; I142-L209 HydrophobicContact CG1-CD1 4.45Å; V192-L209 HydrophobicContact CG1-CD2 4.05Å; V192-L209 HydrophobicContact CG2-CD1 4.31Å; V192-L209 HydrophobicContact CG2-CD2 4.39Å; L209-I211 HydrophobicContact CD1-CG1 4.14Å; L209-I211 HydrophobicContact CD2-CD1 4.21Å; L209-I211 HydrophobicContact CD2-CG1 4.49Å; L209-I211 HydrophobicContact CG-CD1 4.44Å; L209-I211 HydrophobicContact CG-CG1 4.18Å; L209-F237 HydrophobicContact CB-CE2 4.48Å; L209-F237 HydrophobicContact CB-CZ 4.03Å; L209-F237 HydrophobicContact CD2-CE2 3.6Å; L209-F237 HydrophobicContact CD2-CZ 3.88Å; L209-L251 PolarHBondContact N-O 3.17Å; L209-I252 HydrophobicContact CB-CG1 4.34Å; L209-I252 HydrophobicContact CB-CG2 4.39Å; L209-I252 HydrophobicContact CD2-CG2 4.16Å; L209-I252 HydrophobicContact CG-CG2 4.37Å; L209-I252 CarbonylContact O-C 3.56Å; L209-I252 VanDerWaalsContact O-CA 3.29Å; L209-I252 WeakPolarHBondContact O-CA 3.29Å; L209-L253 PolarHBondContact O-N 3.02Å
210I98.9Very high96.5Very high0 Ų030.8 Ų30.80%016%0.159CC..EExtended strand (participates in β ladder)trans-126.2127.5174.6-51.3-177.5000108.6V139 L140 I141 I142 L166 F170 V208 L212 L253V139-I210 HydrophobicContact CG1-CD1 4.32Å; L140-I210 PolarHBondContact O-N 3.18Å; I141-I210 CarbonylContact C-O 3.58Å; I141-I210 WeakPolarHBondContact CA-O 3.41Å; I141-I210 HydrophobicContact CD1-CD1 4.46Å; I141-I210 HydrophobicContact CG1-CB 4.33Å; I141-I210 HydrophobicContact CG1-CD1 4.23Å; I141-I210 HydrophobicContact CG2-CB 4.46Å; I142-I210 PolarHBondContact N-O 3.21Å; L166-I210 HydrophobicContact CB-CD1 4.36Å; L166-I210 HydrophobicContact CD1-CD1 4.21Å; L166-I210 HydrophobicContact CD1-CG2 3.94Å; L166-I210 HydrophobicContact CD2-CD1 4.11Å; L166-I210 HydrophobicContact CG-CD1 4.47Å; F170-I210 HydrophobicContact CD2-CD1 4.13Å; F170-I210 HydrophobicContact CE2-CD1 3.59Å; F170-I210 HydrophobicContact CZ-CD1 4.43Å; V208-I210 HydrophobicContact CG1-CD1 4.2Å; V208-I210 HydrophobicContact CG1-CG1 3.86Å; I210-L212 HydrophobicContact CG2-CD2 3.69Å; I210-L212 HydrophobicContact CG2-CG 4.24Å; I210-L253 WeakPolarHBondContact CA-O 3.3Å; I210-L253 HydrophobicContact CB-CB 4.37Å; I210-L253 HydrophobicContact CD1-CD2 4.33Å; I210-L253 HydrophobicContact CG1-CB 4.05Å; I210-L253 HydrophobicContact CG1-CD2 4.43Å; I210-L253 HydrophobicContact CG2-CB 4.09Å; I210-L253 HydrophobicContact CG2-CD2 3.91Å; I210-L253 HydrophobicContact CG2-CG 4.35Å
211I98.7Very high96.5Very high3 Ų327.7 Ų27.72%0.01515%0.145CC..EExtended strand (participates in β ladder)trans-119.5120.9176.4-57.4177.8000108.3I142 L209 A213 I220 L233 L253 Q255I142-I211 HydrophobicContact CB-CG1 4.46Å; L209-I211 HydrophobicContact CD1-CG1 4.14Å; L209-I211 HydrophobicContact CD2-CD1 4.21Å; L209-I211 HydrophobicContact CD2-CG1 4.49Å; L209-I211 HydrophobicContact CG-CD1 4.44Å; L209-I211 HydrophobicContact CG-CG1 4.18Å; I211-A213 HydrophobicContact CG2-CB 4.2Å; I211-I220 HydrophobicContact CG2-CD1 4.11Å; I211-I220 HydrophobicContact CG2-CG1 4.23Å; I211-I220 HydrophobicContact CG2-CG2 4.07Å; I211-L233 HydrophobicContact CD1-CD1 3.68Å; I211-L253 PolarHBondContact N-O 3.12Å; I211-Q255 PolarHBondContact O-N 2.64Å
212L98.6Very high96.5Very high0 Ų027.7 Ų27.70%015%0.145CC..EExtended strand (participates in β ladder)trans-113.5106.2175.2-44.3177.9000107.9I141 I142 N143 I144 R156 D162 A163 L166 I210 Q255 V322I141-L212 HydrophobicContact CG2-CD1 4.37Å; I142-L212 PolarHBondContact O-N 3.33Å; N143-L212 HydrophobicContact CB-CD1 4.4Å; I144-L212 PolarHBondContact N-O 2.95Å; R156-L212 PolarHBondContact NH1-O 2.96Å; D162-L212 HydrophobicContact CB-CD1 3.81Å; A163-L212 HydrophobicContact CB-CD1 4.06Å; L166-L212 HydrophobicContact CD1-CD1 4.23Å; L166-L212 HydrophobicContact CD1-CD2 4.01Å; I210-L212 HydrophobicContact CG2-CD2 3.69Å; I210-L212 HydrophobicContact CG2-CG 4.24Å; L212-Q255 HydrophobicContact CD2-CB 3.56Å; L212-Q255 HydrophobicContact CD2-CG 4.05Å; L212-V322 HydrophobicContact CD2-CG2 4.27Å
213A97.8Very high96.5Very high3 Ų325.5 Ų25.53%0.02513%0.129CC..SBendtrans-157.7173.2-17400000111.8I144 R156 I211 I220 Q255 A256I144-A213 HydrophobicContact CB-CB 4.07Å; I144-A213 HydrophobicContact CD1-CB 4.07Å; I144-A213 HydrophobicContact CG1-CB 4.14Å; R156-A213 VanDerWaalsContact NE-C 3.31Å; R156-A213 PolarHBondContact NE-O 3.49Å; I211-A213 HydrophobicContact CG2-CB 4.2Å; A213-I220 HydrophobicContact CB-CG2 3.63Å; A213-Q255 PolarHBondContact N-O 3.46Å; A213-Q255 VanDerWaalsContact O-O 3.1Å; A213-A256 WeakPolarHBondContact O-CA 3.32Å; A213-A256 WeakPolarHBondContact O-CB 3.41Å
214H95.6Very high96.5Very high40 Ų4021.7 Ų21.719%0.18511%0.109CC..EExtended strand (participates in β ladder)trans-68.8158.2156-73.8-57000109.9Y147 P154 R156 I221Y147-H214 AromaticContact CE2-CD2 3.61Å; Y147-H214 AromaticContact CZ-CD2 3.63Å; Y147-H214 PolarHBondContact OH-N 3.37Å; P154-H214 PolarHBondContact O-NE2 3.42Å; R156-H214 VanDerWaalsContact CD-N 3.33Å; R156-H214 WeakPolarHBondContact CG-NE2 3.45Å; H214-I221 HydrophobicContact CB-CB 4.11Å; H214-I221 HydrophobicContact CB-CD1 4.08Å; H214-I221 HydrophobicContact CB-CG1 4.34Å; H214-I221 PolarHBondContact O-N 3.38Å
215G93.9Very high96.4Very high8 Ų822.5 Ų22.58%0.08212%0.117CC..EExtended strand (participates in β ladder)trans-157.6163.2179.500000113.7H219 C257G215-H219 CarbonylContact C-O 3.52Å; G215-H219 WeakPolarHBondContact CA-O 3.43Å; G215-C257 CarbonylContact C-O 3.53Å; G215-C257 WeakPolarHBondContact CA-O 3.39Å; G215-C257 WeakPolarHBondContact O-CB 3.45Å
216L91.6Very high96.4Very high65 Ų6523.2 Ų23.234%0.3412%0.122SC..EExtended strand (participates in β ladder)trans-114.4177167.2-56174.9000107.7H218 H219 I221 H227L216-H218 PolarHBondContact O-N 2.96Å; L216-H219 HydrophobicContact CB-CB 4.35Å; L216-H219 PolarHBondContact N-O 3.11Å; L216-H219 PolarHBondContact O-N 3.3Å; L216-I221 HydrophobicContact CG-CD1 4.34Å; L216-H227 VanDerWaalsContact CD1-CE1 3.42Å; L216-H227 WeakPolarHBondContact CD1-CE1 3.38Å
217E86Confident96.4Very high71 Ų7128 Ų2833%0.33215%0.145SC..THydrogen-bonded Turntrans-49.1-38-172.8-166.5166.6-178.900115R258 P307E217-R258 VanDerWaalsContact CA-C 3.41Å; E217-R258 VanDerWaalsContact CA-O 3.28Å; E217-R258 WeakPolarHBondContact CA-O 3.25Å; E217-R258 WeakPolarHBondContact CB-O 3.37Å; E217-R258 PolarHBondContact O-NE 3.33Å; E217-P307 HydrophobicContact CG-CB 4.29Å; E217-P307 WeakPolarHBondContact OE1-CB 3.42Å
218H90.7Very high96.3Very high71 Ų7128.1 Ų28.133%0.32915%0.145SC..THydrogen-bonded Turntrans-126.55.6-177.6-56.6-64.1000114.5L216 I230L216-H218 PolarHBondContact O-N 2.96Å; H218-I230 PolarHBondContact O-N 2.8Å
219H95.1Very high96.1Very high67 Ų6729.8 Ų29.831%0.3116%0.157SC..EExtended strand (participates in β ladder)trans-133.7145.5-171-62.985.9000112.4G215 L216 H227 V228G215-H219 CarbonylContact C-O 3.52Å; G215-H219 WeakPolarHBondContact CA-O 3.43Å; L216-H219 HydrophobicContact CB-CB 4.35Å; L216-H219 PolarHBondContact N-O 3.11Å; L216-H219 PolarHBondContact O-N 3.3Å; H219-H227 HydrophobicContact CB-CB 4.1Å; H219-V228 CarbonylContact C-O 3.59Å; H219-V228 VanDerWaalsContact CA-O 3.31Å; H219-V228 WeakPolarHBondContact CA-O 3.28Å
220I97.4Very high95.9Very high1 Ų130 Ų301%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-93136.2165.4-59.4-57.9000108.5I144 L188 I211 A213 H227 V228 I230 L233 I254 A256I144-I220 HydrophobicContact CD1-CG2 4.32Å; L188-I220 HydrophobicContact CD2-CG2 4.08Å; I211-I220 HydrophobicContact CG2-CD1 4.11Å; I211-I220 HydrophobicContact CG2-CG1 4.23Å; I211-I220 HydrophobicContact CG2-CG2 4.07Å; A213-I220 HydrophobicContact CB-CG2 3.63Å; I220-H227 WeakPolarHBondContact O-CA 3.46Å; I220-V228 PolarHBondContact N-O 3.02Å; I220-V228 PolarHBondContact O-N 3.02Å; I220-I230 HydrophobicContact CD1-CD1 4.17Å; I220-I230 HydrophobicContact CD1-CG1 4.06Å; I220-I230 HydrophobicContact CG1-CG1 3.89Å; I220-L233 HydrophobicContact CG1-CD1 4.23Å; I220-I254 HydrophobicContact CD1-CG2 3.87Å; I220-A256 HydrophobicContact CD1-CB 3.92Å
221I97.3Very high95.6Very high11 Ų1132.7 Ų32.76%0.05617%0.172CC..EExtended strand (participates in β ladder)trans-91113.1172.2-51.3-178.3000107.9Y147 V153 H214 L216Y147-I221 HydrophobicContact CE1-CB 4.43Å; Y147-I221 HydrophobicContact CE1-CG2 4.06Å; Y147-I221 WeakPolarHBondContact CE1-O 3.49Å; Y147-I221 PolarHBondContact OH-O 3.37Å; Y147-I221 VanDerWaalsContact OH-O 3.1Å; V153-I221 HydrophobicContact CG1-CD1 4.13Å; V153-I221 HydrophobicContact CG2-CG2 4.24Å; H214-I221 HydrophobicContact CB-CB 4.11Å; H214-I221 HydrophobicContact CB-CD1 4.08Å; H214-I221 HydrophobicContact CB-CG1 4.34Å; H214-I221 PolarHBondContact O-N 3.38Å; L216-I221 HydrophobicContact CG-CD1 4.34Å
222A98.3Very high95.4Very high0 Ų036 Ų360%019%0.188CC..  trans-73.6170176.800000112.1Y147 L183 G185 L188 D224 G225 I226 V228Y147-A222 WeakPolarHBondContact CD1-O 3.29Å; Y147-A222 VanDerWaalsContact CE1-O 3.24Å; Y147-A222 WeakPolarHBondContact CE1-O 3.31Å; L183-A222 WeakPolarHBondContact O-CB 3.31Å; G185-A222 VanDerWaalsContact CA-CB 3.49Å; G185-A222 VanDerWaalsContact N-CB 3.35Å; L188-A222 HydrophobicContact CD2-CB 4.42Å; A222-D224 WeakPolarHBondContact CB-OD1 3.21Å; A222-D224 PolarHBondContact O-N 3.26Å; A222-D224 VanDerWaalsContact O-N 3.15Å; A222-G225 PolarHBondContact O-N 3.45Å; A222-I226 WeakPolarHBondContact CB-O 3.31Å; A222-I226 PolarHBondContact N-O 2.93Å; A222-V228 HydrophobicContact CB-CG2 4.5Å
223S98.2Very high95.2Very high13 Ų1336.2 Ų36.29%0.09119%0.189CC..THydrogen-bonded Turntrans-62.6-24.4-173.761.80000113.9D146 Y147 S148 N182 L183 E184D146-S223 WeakPolarHBondContact O-CB 3.27Å; Y147-S223 CarbonylContact C-O 3.58Å; Y147-S223 WeakPolarHBondContact CA-O 3.32Å; S148-S223 PolarHBondContact N-O 2.74Å; S148-S223 PolarHBondContact OG-O 2.76Å; N182-S223 PolarHBondContact O-OG 3.21Å; L183-S223 PolarHBondContact O-N 2.96Å; L183-S223 PolarHBondContact O-OG 3.38Å; E184-S223 PolarHBondContact N-OG 2.62Å; E184-S223 VanDerWaalsContact N-OG 3.15Å
224D97.9Very high95.1Very high46 Ų4636.1 Ų36.125%0.24619%0.188CC..THydrogen-bonded Turntrans-89.93175.654.3-4.1000113.7E184 G185 A222 I226E184-D224 HydrophobicContact CB-CB 4.45Å; E184-D224 VanDerWaalsContact CB-OD2 3.31Å; E184-D224 WeakPolarHBondContact CB-OD2 2.97Å; E184-D224 HydrophobicContact CG-CB 4.09Å; G185-D224 PolarHBondContact N-OD1 3.2Å; G185-D224 PolarHBondContact N-OD2 3.21Å; A222-D224 WeakPolarHBondContact CB-OD1 3.21Å; A222-D224 PolarHBondContact O-N 3.26Å; A222-D224 VanDerWaalsContact O-N 3.15Å; D224-I226 VanDerWaalsContact C-N 3.31Å; D224-I226 WeakPolarHBondContact OD1-CB 3.29Å; D224-I226 PolarHBondContact OD1-N 2.91Å; D224-I226 WeakPolarHBondContact OD2-CD1 3.37Å
225G96.8Very high94.9Very high18 Ų1834.5 Ų34.519%0.18618%0.182CC..SBendtrans84.3-1.8-176.100000114.5S151 A222 H227S151-G225 VanDerWaalsContact CB-CA 3.5Å; A222-G225 PolarHBondContact O-N 3.45Å; G225-H227 PolarHBondContact O-CD2 2.85Å; G225-H227 VanDerWaalsContact O-CD2 3.31Å; G225-H227 PolarHBondContact O-N 3.16Å
226I97.9Very high94.9Very high67 Ų6734.6 Ų34.634%0.34418%0.181SC..  trans-66.5129.5176.6-65.4-178.6000109.7A222 D224 V228A222-I226 WeakPolarHBondContact CB-O 3.31Å; A222-I226 PolarHBondContact N-O 2.93Å; D224-I226 VanDerWaalsContact C-N 3.31Å; D224-I226 WeakPolarHBondContact OD1-CB 3.29Å; D224-I226 PolarHBondContact OD1-N 2.91Å; D224-I226 WeakPolarHBondContact OD2-CD1 3.37Å; I226-V228 HydrophobicContact CG2-CG2 4.27Å
227H96.8Very high95Very high102 Ų10231.6 Ų31.647%0.47217%0.166SC..EExtended strand (participates in β ladder)trans-81.4118.8173.8-61.9171.2000110L216 H219 I220 G225L216-H227 VanDerWaalsContact CD1-CE1 3.42Å; L216-H227 WeakPolarHBondContact CD1-CE1 3.38Å; H219-H227 HydrophobicContact CB-CB 4.1Å; I220-H227 WeakPolarHBondContact O-CA 3.46Å; G225-H227 PolarHBondContact O-CD2 2.85Å; G225-H227 VanDerWaalsContact O-CD2 3.31Å; G225-H227 PolarHBondContact O-N 3.16Å
228V97.3Very high95.3Very high3 Ų329.2 Ų29.22%0.01816%0.156CC..EExtended strand (participates in β ladder)trans-108.3126.6178.2-179.10000109.5L188 K189 H219 I220 A222 I226 I230 L233L188-V228 HydrophobicContact CD2-CB 4.07Å; L188-V228 HydrophobicContact CD2-CG1 4.33Å; L188-V228 HydrophobicContact CD2-CG2 4Å; K189-V228 HydrophobicContact CD-CG1 4.11Å; K189-V228 HydrophobicContact CG-CG1 3.56Å; K189-V228 HydrophobicContact CG-CG2 4.38Å; H219-V228 CarbonylContact C-O 3.59Å; H219-V228 VanDerWaalsContact CA-O 3.31Å; H219-V228 WeakPolarHBondContact CA-O 3.28Å; I220-V228 PolarHBondContact N-O 3.02Å; I220-V228 PolarHBondContact O-N 3.02Å; A222-V228 HydrophobicContact CB-CG2 4.5Å; I226-V228 HydrophobicContact CG2-CG2 4.27Å; V228-I230 PolarHBondContact O-N 2.93Å; V228-L233 HydrophobicContact CG1-CD1 3.98Å; V228-L233 HydrophobicContact CG1-CD2 3.78Å; V228-L233 HydrophobicContact CG1-CG 3.84Å
229S95.4Very high95.3Very high35 Ų3527.9 Ų27.925%0.24515%0.151CC..EExtended strand (participates in β ladder)trans-62.5128.2-179.5170.60000111.2D231 E232 L233S229-D231 PolarHBondContact O-N 2.92Å; S229-D231 PolarHBondContact OG-N 2.62Å; S229-E232 WeakPolarHBondContact O-CB 3.48Å; S229-E232 PolarHBondContact O-N 2.93Å; S229-E232 PolarHBondContact OG-N 2.89Å; S229-L233 WeakPolarHBondContact O-CG 3.32Å; S229-L233 PolarHBondContact O-N 3.27Å
230I94.6Very high95.1Very high6 Ų633.4 Ų33.43%0.03117%0.174CC..Hα-helixtrans-61.2-38.7173.4-68.6170.8000110.2H218 I220 V228 E232 L233 V234 I254 Y303H218-I230 PolarHBondContact O-N 2.8Å; I220-I230 HydrophobicContact CD1-CD1 4.17Å; I220-I230 HydrophobicContact CD1-CG1 4.06Å; I220-I230 HydrophobicContact CG1-CG1 3.89Å; V228-I230 PolarHBondContact O-N 2.93Å; I230-E232 VanDerWaalsContact C-N 3.28Å; I230-E232 PolarHBondContact O-N 2.93Å; I230-L233 PolarHBondContact O-N 3.03Å; I230-V234 HydrophobicContact CG2-CG2 3.9Å; I230-V234 WeakPolarHBondContact O-CB 3.42Å; I230-V234 WeakPolarHBondContact O-CG2 3.22Å; I230-V234 PolarHBondContact O-N 2.84Å; I230-I254 HydrophobicContact CD1-CD1 4.45Å; I230-I254 HydrophobicContact CD1-CG2 4.41Å; I230-I254 HydrophobicContact CG1-CD1 4.49Å; I230-I254 HydrophobicContact CG2-CD1 3.49Å; I230-I254 VanDerWaalsContact CG2-CD1 3.49Å; I230-Y303 HydrophobicContact CD1-CE1 4.26Å; I230-Y303 HydrophobicContact CG2-CE1 4.14Å
231D92.1Very high94.8Very high57 Ų5739.5 Ų39.531%0.30520%0.197SC..Hα-helixtrans-64.1-34.1178.3-76.2-1.7000111.8S229 G235 S289S229-D231 PolarHBondContact O-N 2.92Å; S229-D231 PolarHBondContact OG-N 2.62Å; D231-G235 VanDerWaalsContact O-CA 3.28Å; D231-G235 WeakPolarHBondContact O-CA 3.48Å; D231-G235 PolarHBondContact O-N 2.92Å; D231-S289 PolarHBondContact OD2-OG 2.86Å
232E93.2Very high94.5Very high72 Ų7239 Ų3934%0.33620%0.195SC..Hα-helixtrans-64.6-46.8173.7-172.9-178.6178.700111.1K189 R193 S229 I230 G235 C236K189-E232 WeakPolarHBondContact CD-OE1 3.46Å; K189-E232 VanDerWaalsContact CD-OE2 3.26Å; K189-E232 WeakPolarHBondContact CD-OE2 3.43Å; R193-E232 IonicContact NH2-OE1 2.66Å; S229-E232 WeakPolarHBondContact O-CB 3.48Å; S229-E232 PolarHBondContact O-N 2.93Å; S229-E232 PolarHBondContact OG-N 2.89Å; I230-E232 VanDerWaalsContact C-N 3.28Å; I230-E232 PolarHBondContact O-N 2.93Å; E232-G235 PolarHBondContact O-N 3.24Å; E232-C236 PolarHBondContact O-N 3.14Å
233L95.8Very high94.3Very high4 Ų443.2 Ų43.22%0.02122%0.222CC..Hα-helixtrans-66.6-50.7-179.3-61.4179.2000112.1L188 K189 V192 I211 I220 V228 S229 I230 G235 C236L188-L233 HydrophobicContact CD2-CD1 4.36Å; L188-L233 HydrophobicContact CG-CD1 4.44Å; L188-L233 HydrophobicContact CG-CD2 4.33Å; K189-L233 HydrophobicContact CG-CD2 4.41Å; V192-L233 HydrophobicContact CB-CD2 4.04Å; V192-L233 HydrophobicContact CG1-CB 4.34Å; V192-L233 HydrophobicContact CG1-CD2 4.21Å; V192-L233 HydrophobicContact CG2-CD2 4.02Å; I211-L233 HydrophobicContact CD1-CD1 3.68Å; I220-L233 HydrophobicContact CG1-CD1 4.23Å; V228-L233 HydrophobicContact CG1-CD1 3.98Å; V228-L233 HydrophobicContact CG1-CD2 3.78Å; V228-L233 HydrophobicContact CG1-CG 3.84Å; S229-L233 WeakPolarHBondContact O-CG 3.32Å; S229-L233 PolarHBondContact O-N 3.27Å; I230-L233 PolarHBondContact O-N 3.03Å; L233-G235 PolarHBondContact O-N 3.44Å; L233-C236 WeakPolarHBondContact O-CB 3.46Å; L233-C236 PolarHBondContact O-N 3.24Å
234V94.2Very high94.2Very high1 Ų145.9 Ų45.91%0.00624%0.235CC..Hα-helixtrans-59.9-391751670000110I230 C236 F237 I252 M296 I301I230-V234 HydrophobicContact CG2-CG2 3.9Å; I230-V234 WeakPolarHBondContact O-CB 3.42Å; I230-V234 WeakPolarHBondContact O-CG2 3.22Å; I230-V234 PolarHBondContact O-N 2.84Å; V234-C236 PolarHBondContact O-N 3.04Å; V234-C236 VanDerWaalsContact O-N 3.12Å; V234-F237 WeakPolarHBondContact O-CB 3.5Å; V234-F237 PolarHBondContact O-N 3.17Å; V234-I252 HydrophobicContact CG1-CD1 4.42Å; V234-I252 HydrophobicContact CG2-CD1 4.22Å; V234-I252 HydrophobicContact CG2-CG2 4.42Å; V234-M296 HydrophobicContact CG1-CE 3.93Å; V234-M296 WeakPolarHBondContact O-CE 3.36Å; V234-I301 HydrophobicContact CB-CD1 4.25Å; V234-I301 HydrophobicContact CG1-CD1 3.31Å; V234-I301 HydrophobicContact CG2-CD1 3.86Å
235G92.8Very high94.2Very high6 Ų643.7 Ų43.76%0.06222%0.223CC..Hα-helixtrans-53.5-34.1179.200000113.5D231 E232 L233 F237 T238 R241D231-G235 VanDerWaalsContact O-CA 3.28Å; D231-G235 WeakPolarHBondContact O-CA 3.48Å; D231-G235 PolarHBondContact O-N 2.92Å; E232-G235 PolarHBondContact O-N 3.24Å; L233-G235 PolarHBondContact O-N 3.44Å; G235-F237 PolarHBondContact O-N 3.42Å; G235-T238 WeakPolarHBondContact O-CG2 3.38Å; G235-T238 PolarHBondContact O-N 3.46Å; G235-T238 PolarHBondContact O-OG1 3.03Å; G235-R241 PolarHBondContact O-NE 3.07Å; G235-R241 PolarHBondContact O-NH2 2.69Å
236C93.9Very high94Very high11 Ų1145 Ų457%0.07423%0.232CC..THydrogen-bonded Turntrans-55.2-22.8177.6-67.80000113.7V192 A196 E232 L233 V234V192-C236 HydrophobicContact CG1-CB 4.3Å; A196-C236 HydrophobicContact CB-CB 3.87Å; E232-C236 PolarHBondContact O-N 3.14Å; L233-C236 WeakPolarHBondContact O-CB 3.46Å; L233-C236 PolarHBondContact O-N 3.24Å; V234-C236 PolarHBondContact O-N 3.04Å; V234-C236 VanDerWaalsContact O-N 3.12Å
237F94Very high93.9Very high2 Ų244.1 Ų44.11%0.00924%0.24CC..THydrogen-bonded Turntrans-94.77.7-174.3-65.9-89.1000115V192 F195 A196 L209 V234 G235 K250 I252 M296V192-F237 HydrophobicContact CG1-CE2 3.89Å; V192-F237 HydrophobicContact CG1-CZ 4.47Å; F195-F237 HydrophobicContact CD1-CE1 4.01Å; F195-F237 AromaticContact CD1-CZ 3.78Å; F195-F237 HydrophobicContact CD1-CZ 3.78Å; F195-F237 AromaticContact CE1-CE1 3.92Å; F195-F237 HydrophobicContact CE1-CE1 3.92Å; F195-F237 AromaticContact CE1-CZ 3.98Å; F195-F237 HydrophobicContact CE1-CZ 3.98Å; A196-F237 HydrophobicContact CB-CD1 4.38Å; A196-F237 HydrophobicContact CB-CE1 4.2Å; A196-F237 HydrophobicContact CB-CZ 4.32Å; L209-F237 HydrophobicContact CB-CE2 4.48Å; L209-F237 HydrophobicContact CB-CZ 4.03Å; L209-F237 HydrophobicContact CD2-CE2 3.6Å; L209-F237 HydrophobicContact CD2-CZ 3.88Å; V234-F237 WeakPolarHBondContact O-CB 3.5Å; V234-F237 PolarHBondContact O-N 3.17Å; G235-F237 PolarHBondContact O-N 3.42Å; F237-K250 HydrophobicContact CB-CD 4.11Å; F237-K250 HydrophobicContact CD1-CD 4.1Å; F237-K250 WeakPolarHBondContact O-CE 3.43Å; F237-I252 HydrophobicContact CB-CD1 4.38Å; F237-I252 HydrophobicContact CD2-CD1 3.76Å; F237-I252 HydrophobicContact CE2-CD1 4.23Å; F237-I252 HydrophobicContact CG-CD1 4.06Å; F237-M296 HydrophobicContact CB-CE 4.14Å; F237-M296 HydrophobicContact CB-SD 4.15Å
238T92.1Very high93.9Very high20 Ų2041.1 Ų41.112%0.12323%0.225CC..SBendtrans-63.8150.9174.560.70000111.2G235 K240 R241 C242 H295 M296G235-T238 WeakPolarHBondContact O-CG2 3.38Å; G235-T238 PolarHBondContact O-N 3.46Å; G235-T238 PolarHBondContact O-OG1 3.03Å; T238-K240 PolarHBondContact O-N 3.41Å; T238-R241 PolarHBondContact O-N 3.36Å; T238-R241 PolarHBondContact OG1-N 3.4Å; T238-C242 WeakPolarHBondContact O-CB 3.49Å; T238-C242 PolarHBondContact O-N 3.24Å; T238-H295 HydrophobicContact CG2-CB 4.39Å; T238-M296 HydrophobicContact CG2-CE 3.61Å; T238-M296 HydrophobicContact CG2-SD 4.42Å
239N91.2Very high93.9Very high44 Ų4441 Ų4124%0.23523%0.225CC..THydrogen-bonded Turntrans-56.4-31.2-178.6-68.7-21000112.9P243 A246 H295 S297N239-P243 WeakPolarHBondContact O-CA 3.4Å; N239-A246 HydrophobicContact CB-CB 4.41Å; N239-H295 PolarHBondContact N-O 3.14Å; N239-S297 PolarHBondContact ND2-OG 3.08Å; N239-S297 PolarHBondContact OD1-OG 2.89Å
240K90.2Very high94Very high182 Ų18239.5 Ų39.579%0.79121%0.214SC*.THydrogen-bonded Turntrans-71-39.9175.8-176.5179.5178.4-179.20112.9T238T238-K240 PolarHBondContact O-N 3.41Å
241R90.7Very high94.2Very high130 Ų13039.2 Ų39.249%0.49121%0.212SC..THydrogen-bonded Turntrans-88.1-22.9-177.7-71.2-165.9-78.8-153.4-11.9112.9G235 T238 P243G235-R241 PolarHBondContact O-NE 3.07Å; G235-R241 PolarHBondContact O-NH2 2.69Å; T238-R241 PolarHBondContact O-N 3.36Å; T238-R241 PolarHBondContact OG1-N 3.4Å; R241-P243 VanDerWaalsContact C-CD 3.43Å
242C92.1Very high94.5Very high1 Ų136.6 Ų36.61%0.00720%0.198CC..  trans-129.260.8-176.6-166.30000111.3A196 T238 L244 L245 A246A196-C242 PolarHBondContact O-SG 3.49Å; T238-C242 WeakPolarHBondContact O-CB 3.49Å; T238-C242 PolarHBondContact O-N 3.24Å; C242-L244 PolarHBondContact O-N 3.11Å; C242-L245 PolarHBondContact O-N 3.23Å; C242-L245 VanDerWaalsContact O-N 3.11Å; C242-L245 VanDerWaalsContact SG-CB 3.59Å; C242-L245 VanDerWaalsContact SG-CD1 3.5Å; C242-A246 PolarHBondContact O-N 3.29Å
243P93.1Very high94.8Very high88 Ų8833.2 Ų33.257%0.57118%0.183SC*.G310 helixtrans-63.6-28-173.525.4-35.1000113.4N239 R241 L245 A246N239-P243 WeakPolarHBondContact O-CA 3.4Å; R241-P243 VanDerWaalsContact C-CD 3.43Å; P243-L245 PolarHBondContact O-N 2.94Å; P243-A246 WeakPolarHBondContact O-CB 3.44Å; P243-A246 PolarHBondContact O-N 3.3Å
244L97.1Very high94.9Very high68 Ų6833.3 Ų33.336%0.35618%0.183SC..G310 helixtrans-70.5-15.4178.8-60179.8000113.7H201 C242 K248H201-L244 HydrophobicContact CB-CB 3.83Å; C242-L244 PolarHBondContact O-N 3.11Å; L244-K248 WeakPolarHBondContact O-CE 3.36Å; L244-K248 PolarHBondContact O-NZ 3.01Å
245L96Very high95Very high0 Ų033.4 Ų33.40%018%0.183CC..G310 helixtrans-109.79.9173.1-63.5-179.9000113.4H201 A207 C242 P243 G247 K248 K250H201-L245 HydrophobicContact CB-CD2 3.77Å; H201-L245 HydrophobicContact CB-CG 3.98Å; A207-L245 HydrophobicContact CB-CD1 3.36Å; A207-L245 HydrophobicContact CB-CD2 4.04Å; A207-L245 HydrophobicContact CB-CG 4.38Å; C242-L245 PolarHBondContact O-N 3.23Å; C242-L245 VanDerWaalsContact O-N 3.11Å; C242-L245 VanDerWaalsContact SG-CB 3.59Å; C242-L245 VanDerWaalsContact SG-CD1 3.5Å; P243-L245 PolarHBondContact O-N 2.94Å; L245-G247 PolarHBondContact O-N 3.23Å; L245-K248 HydrophobicContact CD2-CB 4.37Å; L245-K248 HydrophobicContact CD2-CD 4.04Å; L245-K248 WeakPolarHBondContact O-CB 3.43Å; L245-K248 PolarHBondContact O-N 2.91Å; L245-K250 HydrophobicContact CB-CD 4.12Å; L245-K250 HydrophobicContact CB-CG 4.46Å; L245-K250 HydrophobicContact CD1-CD 4.26Å; L245-K250 HydrophobicContact CD1-CG 4.3Å; L245-K250 PolarHBondContact O-NZ 3.02Å
246A93.7Very high95.1Very high45 Ų4533.4 Ų33.437%0.37218%0.182SC..THydrogen-bonded Turntrans-64.4133.5171.800000110N239 C242 P243 K248N239-A246 HydrophobicContact CB-CB 4.41Å; C242-A246 PolarHBondContact O-N 3.29Å; P243-A246 WeakPolarHBondContact O-CB 3.44Å; P243-A246 PolarHBondContact O-N 3.3Å; A246-K248 PolarHBondContact O-N 3.46Å
247G94.9Very high95Very high49 Ų4934 Ų3451%0.50519%0.187SC..THydrogen-bonded Turntrans73.84.1-175.800000114.9L245 D298L245-G247 PolarHBondContact O-N 3.23Å; G247-D298 VanDerWaalsContact CA-OD2 3.29Å; G247-D298 WeakPolarHBondContact CA-OD2 3.41Å; G247-D298 PolarHBondContact N-OD2 2.96Å
248K97.5Very high94.8Very high39 Ų3934.7 Ų34.717%0.1719%0.189CC..SBendtrans-110.6137.3179.7-65.2-176.9-170.5173.50110.6H201 S202 V204 H205 L244 L245 A246 K250 D298H201-K248 PolarHBondContact O-NZ 3.04Å; S202-K248 PolarHBondContact O-NZ 3.27Å; V204-K248 WeakPolarHBondContact O-CD 3.26Å; V204-K248 VanDerWaalsContact O-CE 3.25Å; V204-K248 WeakPolarHBondContact O-CE 3.39Å; V204-K248 PolarHBondContact O-NZ 3.14Å; H205-K248 VanDerWaalsContact O-CB 3.31Å; H205-K248 WeakPolarHBondContact O-CB 3.47Å; L244-K248 WeakPolarHBondContact O-CE 3.36Å; L244-K248 PolarHBondContact O-NZ 3.01Å; L245-K248 HydrophobicContact CD2-CB 4.37Å; L245-K248 HydrophobicContact CD2-CD 4.04Å; L245-K248 WeakPolarHBondContact O-CB 3.43Å; L245-K248 PolarHBondContact O-N 2.91Å; A246-K248 PolarHBondContact O-N 3.46Å; K248-K250 PolarHBondContact O-N 2.72Å; K248-K250 PolarHBondContact O-NZ 2.81Å; K248-K250 VanDerWaalsContact O-NZ 3.08Å; K248-D298 WeakPolarHBondContact O-CB 3.21Å
249P97.8Very high94.3Very high2 Ų234.6 Ų34.61%0.01319%0.192CC..  trans-64.3134179.226.3-35.7000111.7Y129 V131 H205 A206 A207 D298 Y372Y129-P249 HydrophobicContact CD1-CG 4.38Å; Y129-P249 HydrophobicContact CD2-CB 4.02Å; Y129-P249 HydrophobicContact CD2-CG 4.18Å; Y129-P249 HydrophobicContact CE2-CB 4.26Å; Y129-P249 HydrophobicContact CG-CB 4.22Å; Y129-P249 HydrophobicContact CG-CG 3.93Å; V131-P249 HydrophobicContact CG2-CG 4.17Å; H205-P249 VanDerWaalsContact O-CD 3.3Å; H205-P249 WeakPolarHBondContact O-CD 3.5Å; A206-P249 WeakPolarHBondContact CA-O 3.44Å; A206-P249 HydrophobicContact CB-CG 4.12Å; A207-P249 PolarHBondContact N-O 2.73Å; P249-D298 CarbonylContact C-O 3.52Å; P249-D298 WeakPolarHBondContact CA-O 3.33Å; P249-Y372 HydrophobicContact CB-CD1 3.85Å; P249-Y372 HydrophobicContact CB-CD2 3.45Å; P249-Y372 VanDerWaalsContact CB-CD2 3.45Å; P249-Y372 HydrophobicContact CB-CE1 4.14Å; P249-Y372 HydrophobicContact CB-CE2 3.76Å; P249-Y372 HydrophobicContact CB-CG 3.5Å; P249-Y372 HydrophobicContact CG-CD2 3.5Å; P249-Y372 VanDerWaalsContact CG-CD2 3.5Å; P249-Y372 HydrophobicContact CG-CE2 3.62Å; P249-Y372 HydrophobicContact CG-CG 4.11Å
250K97.8Very high93.4Very high2 Ų240.2 Ų40.21%0.00922%0.217CC..EExtended strand (participates in β ladder)trans-121.1133.3177.3-65.7171.2-66.6-63.40109.1A207 F237 L245 K248 S297 D298 C299 V300A207-K250 WeakPolarHBondContact O-CA 3.39Å; F237-K250 HydrophobicContact CB-CD 4.11Å; F237-K250 HydrophobicContact CD1-CD 4.1Å; F237-K250 WeakPolarHBondContact O-CE 3.43Å; L245-K250 HydrophobicContact CB-CD 4.12Å; L245-K250 HydrophobicContact CB-CG 4.46Å; L245-K250 HydrophobicContact CD1-CD 4.26Å; L245-K250 HydrophobicContact CD1-CG 4.3Å; L245-K250 PolarHBondContact O-NZ 3.02Å; K248-K250 PolarHBondContact O-N 2.72Å; K248-K250 PolarHBondContact O-NZ 2.81Å; K248-K250 VanDerWaalsContact O-NZ 3.08Å; K250-S297 WeakPolarHBondContact CE-O 3.36Å; K250-S297 PolarHBondContact NZ-O 2.82Å; K250-D298 PolarHBondContact N-O 3.13Å; K250-D298 PolarHBondContact NZ-O 3.43Å; K250-C299 HydrophobicContact CB-CB 4.39Å; K250-C299 CarbonylContact O-C 3.58Å; K250-C299 WeakPolarHBondContact O-CA 3.41Å; K250-V300 PolarHBondContact O-N 3.05Å
251L98.5Very high91.9Very high1 Ų136.5 Ų36.51%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-118.7122.6173.5174.563.7000109.5F170 A207 V208 L209 V300 V302 I338 Y372F170-L251 HydrophobicContact CZ-CD2 4.18Å; A207-L251 PolarHBondContact O-N 3.37Å; V208-L251 CarbonylContact C-O 3.44Å; V208-L251 WeakPolarHBondContact CA-O 3.27Å; V208-L251 HydrophobicContact CG1-CB 4.13Å; V208-L251 HydrophobicContact CG1-CD2 4.12Å; V208-L251 HydrophobicContact CG1-CG 4.15Å; V208-L251 HydrophobicContact CG2-CB 4.2Å; L209-L251 PolarHBondContact N-O 3.17Å; L251-V300 CarbonylContact C-O 3.55Å; L251-V300 WeakPolarHBondContact CA-O 3.31Å; L251-V300 HydrophobicContact CD1-CB 4.04Å; L251-V300 HydrophobicContact CD1-CG1 4.14Å; L251-V302 HydrophobicContact CD1-CG2 4.01Å; L251-I338 HydrophobicContact CD1-CG1 4.38Å; L251-I338 HydrophobicContact CD2-CD1 4.17Å; L251-Y372 HydrophobicContact CB-CE1 4.17Å
252I98.2Very high90Very high2 Ų237.7 Ų37.71%0.0121%0.207CC..EExtended strand (participates in β ladder)trans-117111.1176.2-55-179.9000108L209 V234 F237 I254 V300 I301 V302L209-I252 HydrophobicContact CB-CG1 4.34Å; L209-I252 HydrophobicContact CB-CG2 4.39Å; L209-I252 HydrophobicContact CD2-CG2 4.16Å; L209-I252 HydrophobicContact CG-CG2 4.37Å; L209-I252 CarbonylContact O-C 3.56Å; L209-I252 VanDerWaalsContact O-CA 3.29Å; L209-I252 WeakPolarHBondContact O-CA 3.29Å; V234-I252 HydrophobicContact CG1-CD1 4.42Å; V234-I252 HydrophobicContact CG2-CD1 4.22Å; V234-I252 HydrophobicContact CG2-CG2 4.42Å; F237-I252 HydrophobicContact CB-CD1 4.38Å; F237-I252 HydrophobicContact CD2-CD1 3.76Å; F237-I252 HydrophobicContact CE2-CD1 4.23Å; F237-I252 HydrophobicContact CG-CD1 4.06Å; I252-I254 HydrophobicContact CG2-CD1 4.35Å; I252-I254 HydrophobicContact CG2-CG1 4.15Å; I252-V300 PolarHBondContact N-O 3.26Å; I252-I301 HydrophobicContact CB-CG1 4.32Å; I252-I301 HydrophobicContact CB-CG2 4.38Å; I252-I301 HydrophobicContact CD1-CG1 4.5Å; I252-I301 HydrophobicContact CG2-CG2 4.47Å; I252-I301 CarbonylContact O-C 3.56Å; I252-I301 VanDerWaalsContact O-CA 3.32Å; I252-I301 WeakPolarHBondContact O-CA 3.38Å; I252-V302 PolarHBondContact O-N 3.48Å
253L98.5Very high87.6Confident1 Ų143.3 Ų43.31%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-104.7121.6-179.6-17071.5000109.9L166 L209 I210 I211 V302 Y321L166-L253 HydrophobicContact CD2-CD2 4.41Å; L209-L253 PolarHBondContact O-N 3.02Å; I210-L253 WeakPolarHBondContact CA-O 3.3Å; I210-L253 HydrophobicContact CB-CB 4.37Å; I210-L253 HydrophobicContact CD1-CD2 4.33Å; I210-L253 HydrophobicContact CG1-CB 4.05Å; I210-L253 HydrophobicContact CG1-CD2 4.43Å; I210-L253 HydrophobicContact CG2-CB 4.09Å; I210-L253 HydrophobicContact CG2-CD2 3.91Å; I210-L253 HydrophobicContact CG2-CG 4.35Å; I211-L253 PolarHBondContact N-O 3.12Å; L253-V302 HydrophobicContact CD1-CB 3.71Å; L253-V302 HydrophobicContact CD1-CG1 4.08Å; L253-V302 HydrophobicContact CD1-CG2 4.38Å; L253-Y321 HydrophobicContact CD1-CE1 3.43Å; L253-Y321 VanDerWaalsContact CD1-CE1 3.43Å; L253-Y321 WeakPolarHBondContact CD1-OH 3.29Å; L253-Y321 HydrophobicContact CD2-CE1 4.15Å; L253-Y321 HydrophobicContact CG-CE1 4.11Å
254I98Very high85.2Confident5 Ų546.1 Ų46.13%0.02624%0.242CC..EExtended strand (participates in β ladder)trans-116.6101.2-178.5-56.9176.6000109.3I220 I230 I252 A256 I301 V302 Y303 S304I220-I254 HydrophobicContact CD1-CG2 3.87Å; I230-I254 HydrophobicContact CD1-CD1 4.45Å; I230-I254 HydrophobicContact CD1-CG2 4.41Å; I230-I254 HydrophobicContact CG1-CD1 4.49Å; I230-I254 HydrophobicContact CG2-CD1 3.49Å; I230-I254 VanDerWaalsContact CG2-CD1 3.49Å; I252-I254 HydrophobicContact CG2-CD1 4.35Å; I252-I254 HydrophobicContact CG2-CG1 4.15Å; I254-A256 HydrophobicContact CG2-CB 4.15Å; I254-A256 PolarHBondContact O-N 3.02Å; I254-I301 HydrophobicContact CD1-CG2 4.22Å; I254-V302 PolarHBondContact N-O 2.94Å; I254-Y303 HydrophobicContact CB-CD1 4.23Å; I254-Y303 HydrophobicContact CD1-CD1 4.17Å; I254-Y303 HydrophobicContact CD1-CE1 3.73Å; I254-Y303 HydrophobicContact CG2-CD1 4.42Å; I254-S304 PolarHBondContact O-N 3.45Å; I254-S304 PolarHBondContact O-OG 2.91Å
255Q97.3Very high82.4Confident4 Ų446.2 Ų46.22%0.01924%0.243CC..EExtended strand (participates in β ladder)trans-93.689.3170.6176.357.641.700108.8I211 L212 A213 S304 S311 S319 V322I211-Q255 PolarHBondContact O-N 2.64Å; L212-Q255 HydrophobicContact CD2-CB 3.56Å; L212-Q255 HydrophobicContact CD2-CG 4.05Å; A213-Q255 PolarHBondContact N-O 3.46Å; A213-Q255 VanDerWaalsContact O-O 3.1Å; Q255-S304 PolarHBondContact OE1-OG 2.58Å; Q255-S311 PolarHBondContact NE2-OG 3.11Å; Q255-S319 PolarHBondContact NE2-OG 2.89Å; Q255-V322 HydrophobicContact CB-CG2 4.49Å; Q255-V322 HydrophobicContact CG-CG2 4.17Å
256A95.4Very high79.5Confident5 Ų548.9 Ų48.94%0.04127%0.27CS..SBendtrans-155.8157.517700000110.6A213 I220 I254 S304 S311A213-A256 WeakPolarHBondContact O-CA 3.32Å; A213-A256 WeakPolarHBondContact O-CB 3.41Å; I220-A256 HydrophobicContact CD1-CB 3.92Å; I254-A256 HydrophobicContact CG2-CB 4.15Å; I254-A256 PolarHBondContact O-N 3.02Å; A256-S304 PolarHBondContact N-OG 3.32Å; A256-S311 WeakPolarHBondContact O-CB 3.45Å
257C90.9Very high76.5Confident25 Ų2552.6 Ų52.617%0.16928%0.283CS..  trans-64.2153.4167.8-61.80000110.1G215G215-C257 CarbonylContact C-O 3.53Å; G215-C257 WeakPolarHBondContact CA-O 3.39Å; G215-C257 WeakPolarHBondContact O-CB 3.45Å
258R89.2Confident73.5Confident15 Ų1556 Ų566%0.05729%0.294CS..  trans-124.137.6177.7-64.8-173.471.2-169.93.1111.7E217 T305 G308 F309E217-R258 VanDerWaalsContact CA-C 3.41Å; E217-R258 VanDerWaalsContact CA-O 3.28Å; E217-R258 WeakPolarHBondContact CA-O 3.25Å; E217-R258 WeakPolarHBondContact CB-O 3.37Å; E217-R258 PolarHBondContact O-NE 3.33Å; R258-T305 HydrophobicContact CB-CG2 4.23Å; R258-T305 WeakPolarHBondContact CD-O 3.18Å; R258-T305 HydrophobicContact CG-CG2 4.08Å; R258-G308 VanDerWaalsContact O-CA 3.29Å; R258-G308 WeakPolarHBondContact O-CA 3.46Å; R258-G308 PolarHBondContact O-N 3.05Å; R258-F309 PolarHBondContact N-O 2.72Å
259G81.5Confident70.3Confident18 Ų1863.3 Ų63.319%0.18633%0.326CS..SBendtrans132172.3-17200000110.6
260E74.2Confident67.2Low163 Ų16372 Ų7276%0.76236%0.359SS*.  trans-77.3160.3171.1-64179.1174.500109.8R262 G308E260-R262 PolarHBondContact O-N 2.86Å; E260-G308 VanDerWaalsContact O-O 3.09Å
261E57.5Low63.9Low104 Ų10478.9 Ų78.949%0.48640%0.395SS..  trans-56.8112.2168.9-64.8-153.4118.500108.5N263 V310 W312E261-N263 VanDerWaalsContact C-N 3.28Å; E261-N263 PolarHBondContact O-N 3.17Å; E261-V310 HydrophobicContact CB-CG2 4.41Å; E261-V310 HydrophobicContact CG-CB 3.98Å; E261-V310 HydrophobicContact CG-CG2 3.4Å; E261-W312 WeakPolarHBondContact OE1-CZ2 3.49Å
262R50.5Low60.7Low154 Ų15486.1 Ų86.158%0.58143%0.427SS*.  trans-59.3105.8157.2-67.9-178.2179.9175.33.6104.6E260 H264E260-R262 PolarHBondContact O-N 2.86Å; R262-H264 PolarHBondContact O-N 3.08Å
263N41.2Very low57.3Low120 Ų12094.3 Ų94.364%0.64247%0.465SS*.  trans-36.7124.1158.7-78.6-27.4000105.4E261 N265 G266E261-N263 VanDerWaalsContact C-N 3.28Å; E261-N263 PolarHBondContact O-N 3.17Å; N263-N265 CarbonylContact O-C 3.55Å; N263-N265 PolarHBondContact O-N 3.31Å; N263-G266 PolarHBondContact O-N 3.32Å
264H43.3Very low54.2Low146 Ų146101.4 Ų101.468%0.67650%0.503SS*.THydrogen-bonded Turntrans-55.2-1.7-165-80.6-43.7000115.3R262R262-H264 PolarHBondContact O-N 3.08Å
265N38.1Very low51.2Low71 Ų71106 Ų10638%0.3854%0.535SS..THydrogen-bonded Turntrans-90.57.3170.3-63.4-8.3000115.2N39 N263 L267N39-N265 PolarHBondContact OD1-ND2 2.87Å; N39-N265 VanDerWaalsContact OD1-ND2 3.13Å; N263-N265 CarbonylContact O-C 3.55Å; N263-N265 PolarHBondContact O-N 3.31Å; N265-L267 PolarHBondContact O-N 3.09Å
266G35.7Very low48Very low55 Ų55112.9 Ų112.957%0.56757%0.572SS**  trans63.217.3161.800000117N263N263-G266 PolarHBondContact O-N 3.32Å
267L31.7Very low44.8Very low123 Ų123121.4 Ų121.464%0.64462%0.616SS**  trans-125.394.5-179.7-69.6171.9000110.3N265N265-L267 PolarHBondContact O-N 3.09Å
268V31.8Very low42.1Very low120 Ų120125.3 Ų125.373%0.72764%0.643SS**  trans-151.3112.2133.9179.30000107.6R270V268-R270 HydrophobicContact CG1-CB 4.31Å
269K30Very low39.3Very low194 Ų194131.4 Ų131.484%0.84368%0.677SS**  trans-71.5132.2148.1-77.8178.9172.7-176.90106.7
270R32.5Very low36.8Very low185 Ų185135.8 Ų135.870%0.69871%0.705SS**  trans-127.5109.5157.3-147.8166.177.8123.2-4.1107.8V268 F272V268-R270 HydrophobicContact CG1-CB 4.31Å; R270-F272 VanDerWaalsContact C-N 3.31Å; R270-F272 HydrophobicContact CG-CD2 4.45Å; R270-F272 HydrophobicContact CG-CE2 4.38Å; R270-F272 PolarHBondContact O-N 3.29Å
271D29Very low34.5Very low145 Ų145134 Ų13478%0.77571%0.709SS**  trans-59.593.1171.1-59.9-44.3000108.2
272F29.6Very low33.1Very low154 Ų154138.4 Ų138.468%0.67573%0.729SS**  trans-94.890.1152.6-92.5-101.9000105.6R270 D274R270-F272 VanDerWaalsContact C-N 3.31Å; R270-F272 HydrophobicContact CG-CD2 4.45Å; R270-F272 HydrophobicContact CG-CE2 4.38Å; R270-F272 PolarHBondContact O-N 3.29Å; F272-D274 PolarHBondContact O-N 3.34Å
273Q28.4Very low32Very low173 Ų173136.3 Ų136.381%0.80873%0.733SS**  trans-5793.9165.5-169.5158.524.300106.9S275Q273-S275 PolarHBondContact O-N 2.87Å; Q273-S275 PolarHBondContact O-OG 3.47Å
274D33Very low31.4Very low150 Ų150136.3 Ų136.380%0.80274%0.743SS**  trans-61.5107177-152.82.7000106.8F272 L276F272-D274 PolarHBondContact O-N 3.34Å; D274-L276 PolarHBondContact O-N 2.98Å
275S33.8Very low30.9Very low101 Ų101134.7 Ų134.771%0.70674%0.738SS**  trans-82.562.9-170-59.70000108.4Q273Q273-S275 PolarHBondContact O-N 2.87Å; Q273-S275 PolarHBondContact O-OG 3.47Å
276L30.9Very low30.8Very low149 Ų149137.6 Ų137.678%0.7875%0.754SS**  trans-142.978.8168.2-71.2-179.8000110.2D274 S278D274-L276 PolarHBondContact O-N 2.98Å; L276-S278 VanDerWaalsContact C-N 3.27Å; L276-S278 PolarHBondContact O-N 3.25Å
277L29Very low31.3Very low185 Ų185138.4 Ų138.497%0.96975%0.75SS**  trans-57.192.3153.3-67168.7000108.7
278S33.8Very low32Very low106 Ų106134.8 Ų134.874%0.74173%0.734SS**  trans-128.891.5164.6171.60000109L276L276-S278 VanDerWaalsContact C-N 3.27Å; L276-S278 PolarHBondContact O-N 3.25Å
279N29.4Very low32.8Very low144 Ų144131 Ų13177%0.7771%0.714SS**  trans26.8120149.9-72-3.9000119.6
280S29.3Very low34Very low109 Ų109123 Ų12376%0.76268%0.678SS**  trans57.990.1139.760.80000117.6
281C26.9Very low34.8Very low125 Ų125118.1 Ų118.185%0.84567%0.665SS**  177.6112.8122.1-93.50000107.6V283C281-V283 PolarHBondContact O-N 2.96Å
282E27Very low35.7Very low198 Ų198114.3 Ų114.393%0.92565%0.65SS**  trans-60.4102.6170.3-69.9178.6146.600110
283V27.5Very low36.7Very low109 Ų109111.2 Ų111.266%0.66164%0.64SS**  trans-14285.4152.3-1750000107.5C281 L285C281-V283 PolarHBondContact O-N 2.96Å; V283-L285 HydrophobicContact CG1-CB 4.16Å; V283-L285 HydrophobicContact CG1-CD1 3.43Å; V283-L285 VanDerWaalsContact CG1-CD1 3.43Å; V283-L285 HydrophobicContact CG1-CG 3.52Å; V283-L285 PolarHBondContact O-N 3.33Å; V283-L285 VanDerWaalsContact O-N 3.16Å
284S28Very low37.9Very low121 Ų121108.7 Ų108.785%0.84664%0.639SS**  trans-71.195.1161.242.10000108.5
285L33.8Very low39.8Very low111 Ų111106.3 Ų106.358%0.58162%0.622SS**  trans-122.798.9168.4-73.4174.5000110.1V283V283-L285 HydrophobicContact CG1-CB 4.16Å; V283-L285 HydrophobicContact CG1-CD1 3.43Å; V283-L285 VanDerWaalsContact CG1-CD1 3.43Å; V283-L285 HydrophobicContact CG1-CG 3.52Å; V283-L285 PolarHBondContact O-N 3.33Å; V283-L285 VanDerWaalsContact O-N 3.16Å
286D36.5Very low42.2Very low132 Ų132101.9 Ų101.971%0.70659%0.591SS**  trans-15.3151.5148.3-162.143.7000115.6S288D286-S288 PolarHBondContact O-N 3.38Å; D286-S288 PolarHBondContact O-OG 3.5Å
287P45Very low45Very low73 Ų7396.1 Ų96.147%0.47456%0.563SS.*SBendtrans-56.817.3-161-25.634.9000120.2
288S45.9Very low48.2Very low46 Ų4687.7 Ų87.732%0.32252%0.519SS..  trans-94.712.3169.764.90000114.6D286 W290 L291 S292D286-S288 PolarHBondContact O-N 3.38Å; D286-S288 PolarHBondContact O-OG 3.5Å; S288-W290 VanDerWaalsContact C-N 3.26Å; S288-W290 PolarHBondContact O-N 2.97Å; S288-L291 CarbonylContact O-C 3.53Å; S288-L291 WeakPolarHBondContact O-CA 3.42Å; S288-L291 WeakPolarHBondContact O-CB 3.33Å; S288-L291 PolarHBondContact O-N 3.21Å; S288-S292 VanDerWaalsContact O-CB 3.31Å; S288-S292 WeakPolarHBondContact O-CB 3.42Å; S288-S292 PolarHBondContact O-N 2.9Å; S288-S292 PolarHBondContact O-OG 3.47Å
289S50.3Low51.1Low42 Ų4282.7 Ų82.729%0.29448%0.484SS..THydrogen-bonded Turntrans-56.8-30.8-168.888.60000115.5D231 S292D231-S289 PolarHBondContact OD2-OG 2.86Å; S289-S292 PolarHBondContact O-OG 2.9Å
290W55.2Low54.3Low26 Ų2675.8 Ų75.810%0.09845%0.447CS..THydrogen-bonded Turntrans-96.9-22.8173.559.5-95.2000113.4S288 S292 I301 V365S288-W290 VanDerWaalsContact C-N 3.26Å; S288-W290 PolarHBondContact O-N 2.97Å; W290-S292 VanDerWaalsContact C-N 3.33Å; W290-I301 HydrophobicContact CD2-CD1 4.44Å; W290-I301 HydrophobicContact CE3-CD1 4.35Å; W290-I301 HydrophobicContact CH2-CB 4.45Å; W290-I301 HydrophobicContact CH2-CD1 3.46Å; W290-I301 VanDerWaalsContact CH2-CD1 3.46Å; W290-I301 HydrophobicContact CH2-CG1 4.05Å; W290-I301 HydrophobicContact CZ2-CD1 3.59Å; W290-I301 HydrophobicContact CZ2-CG1 4.48Å; W290-I301 HydrophobicContact CZ3-CD1 3.88Å; W290-V365 HydrophobicContact CH2-CB 3.95Å; W290-V365 HydrophobicContact CH2-CG1 3.4Å; W290-V365 HydrophobicContact CZ2-CB 4.43Å; W290-V365 HydrophobicContact CZ2-CG1 4.03Å; W290-V365 HydrophobicContact CZ3-CG1 4.27Å
291L49.2Very low57.5Low81 Ų8170.7 Ų70.742%0.42441%0.411SS..THydrogen-bonded Turntrans-68.8-33.2169.8-85.1150000111.6S288 L293 V365S288-L291 CarbonylContact O-C 3.53Å; S288-L291 WeakPolarHBondContact O-CA 3.42Å; S288-L291 WeakPolarHBondContact O-CB 3.33Å; S288-L291 PolarHBondContact O-N 3.21Å; L291-L293 PolarHBondContact O-N 2.88Å; L291-V365 HydrophobicContact CD1-CG1 3.91Å; L291-V365 HydrophobicContact CD2-CG1 3.78Å; L291-V365 HydrophobicContact CG-CG1 4.17Å
292S46.8Very low60.9Low65 Ų6564.7 Ų64.746%0.45537%0.371SS..SBendtrans-74.8-8.1-179.365.50000112.8S288 S289 W290S288-S292 VanDerWaalsContact O-CB 3.31Å; S288-S292 WeakPolarHBondContact O-CB 3.42Å; S288-S292 PolarHBondContact O-N 2.9Å; S288-S292 PolarHBondContact O-OG 3.47Å; S289-S292 PolarHBondContact O-OG 2.9Å; W290-S292 VanDerWaalsContact C-N 3.33Å
293L50.2Low64.2Low90 Ų9055.9 Ų55.947%0.47133%0.329SS..SBendtrans-114.1120.1-177.8-66.8175.9000110.2L291 H295L291-L293 PolarHBondContact O-N 2.88Å; L293-H295 PolarHBondContact O-N 3.33Å
294P55.2Low67.4Low120 Ų12050.7 Ų50.778%0.77930%0.298SS*.THydrogen-bonded Turntrans-65.217.9178.427-34.3000114.4
295H72.8Confident70.5Confident99 Ų9945.1 Ų45.146%0.45826%0.258SS..THydrogen-bonded Turntrans-87-13.2-178.9-61.9-51.5000113.9T238 N239 L293T238-H295 HydrophobicContact CG2-CB 4.39Å; N239-H295 PolarHBondContact N-O 3.14Å; L293-H295 PolarHBondContact O-N 3.33Å
296M83.2Confident73.2Confident8 Ų842.7 Ų42.74%0.03925%0.246CC..  trans-114.6100.5-179.7-169.873.578.700111V234 F237 T238 C299 T367V234-M296 HydrophobicContact CG1-CE 3.93Å; V234-M296 WeakPolarHBondContact O-CE 3.36Å; F237-M296 HydrophobicContact CB-CE 4.14Å; F237-M296 HydrophobicContact CB-SD 4.15Å; T238-M296 HydrophobicContact CG2-CE 3.61Å; T238-M296 HydrophobicContact CG2-SD 4.42Å; M296-C299 HydrophobicContact CG-CB 4.03Å; M296-C299 HydrophobicContact SD-CB 4.32Å; M296-T367 VanDerWaalsContact O-CB 3.29Å; M296-T367 WeakPolarHBondContact O-CB 3.47Å; M296-T367 WeakPolarHBondContact O-CG2 3.26Å; M296-T367 PolarHBondContact O-OG1 3.09Å
297S90.3Very high75.7Confident29 Ų2938.5 Ų38.520%0.20323%0.226CC..  trans-111162.817266.80000111.4N239 K250 C299N239-S297 PolarHBondContact ND2-OG 3.08Å; N239-S297 PolarHBondContact OD1-OG 2.89Å; K250-S297 WeakPolarHBondContact CE-O 3.36Å; K250-S297 PolarHBondContact NZ-O 2.82Å; S297-C299 VanDerWaalsContact C-N 3.28Å; S297-C299 PolarHBondContact O-N 3.4Å
298D95.2Very high77.6Confident7 Ų735.2 Ų35.24%0.03721%0.205CC..SBendtrans6138.7169.9-40.4-66.8000111.8Y129 G247 K248 P249 K250 T367 T369Y129-D298 HydrophobicContact CE1-CB 4.07Å; Y129-D298 WeakPolarHBondContact CE1-OD1 3.11Å; Y129-D298 WeakPolarHBondContact OH-CB 3.42Å; Y129-D298 PolarHBondContact OH-OD1 3.38Å; G247-D298 VanDerWaalsContact CA-OD2 3.29Å; G247-D298 WeakPolarHBondContact CA-OD2 3.41Å; G247-D298 PolarHBondContact N-OD2 2.96Å; K248-D298 WeakPolarHBondContact O-CB 3.21Å; P249-D298 CarbonylContact C-O 3.52Å; P249-D298 WeakPolarHBondContact CA-O 3.33Å; K250-D298 PolarHBondContact N-O 3.13Å; K250-D298 PolarHBondContact NZ-O 3.43Å; D298-T367 PolarHBondContact N-O 3.38Å; D298-T369 PolarHBondContact OD1-OG1 3.43Å
299C95.4Very high79.4Confident1 Ų136.3 Ų36.31%0.00720%0.204CC..EExtended strand (participates in β ladder)trans-125.4144.2-177.7-163.10000111.9K250 M296 S297 T366 T367K250-C299 HydrophobicContact CB-CB 4.39Å; K250-C299 CarbonylContact O-C 3.58Å; K250-C299 WeakPolarHBondContact O-CA 3.41Å; M296-C299 HydrophobicContact CG-CB 4.03Å; M296-C299 HydrophobicContact SD-CB 4.32Å; S297-C299 VanDerWaalsContact C-N 3.28Å; S297-C299 PolarHBondContact O-N 3.4Å; C299-T366 WeakPolarHBondContact O-CA 3.48Å; C299-T366 PolarHBondContact O-OG1 3.45Å; C299-T367 PolarHBondContact N-OG1 3.33Å; C299-T367 PolarHBondContact O-N 2.87Å
300V96.9Very high81.1Confident0 Ų035.8 Ų35.80%020%0.199CC..EExtended strand (participates in β ladder)trans-123.2123.3164.2-176.60000107.8K250 L251 I252 V302 I338 L339 L342 V365 L368K250-V300 PolarHBondContact O-N 3.05Å; L251-V300 CarbonylContact C-O 3.55Å; L251-V300 WeakPolarHBondContact CA-O 3.31Å; L251-V300 HydrophobicContact CD1-CB 4.04Å; L251-V300 HydrophobicContact CD1-CG1 4.14Å; I252-V300 PolarHBondContact N-O 3.26Å; V300-V302 HydrophobicContact CG1-CG2 3.74Å; V300-I338 HydrophobicContact CG2-CG2 3.94Å; V300-L339 HydrophobicContact CG1-CD2 4.39Å; V300-L339 HydrophobicContact CG2-CD2 4.28Å; V300-L342 HydrophobicContact CG1-CD1 3.83Å; V300-V365 WeakPolarHBondContact CA-O 3.37Å; V300-L368 HydrophobicContact CG2-CD1 3.41Å; V300-L368 VanDerWaalsContact CG2-CD1 3.41Å; V300-L368 HydrophobicContact CG2-CD2 3.9Å; V300-L368 HydrophobicContact CG2-CG 3.51Å
301I96Very high82.3Confident1 Ų135 Ų351%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-109.7126.7172.7-49.4-172.4000107.3V234 I252 I254 W290 Y303 P364 V365V234-I301 HydrophobicContact CB-CD1 4.25Å; V234-I301 HydrophobicContact CG1-CD1 3.31Å; V234-I301 HydrophobicContact CG2-CD1 3.86Å; I252-I301 HydrophobicContact CB-CG1 4.32Å; I252-I301 HydrophobicContact CB-CG2 4.38Å; I252-I301 HydrophobicContact CD1-CG1 4.5Å; I252-I301 HydrophobicContact CG2-CG2 4.47Å; I252-I301 CarbonylContact O-C 3.56Å; I252-I301 VanDerWaalsContact O-CA 3.32Å; I252-I301 WeakPolarHBondContact O-CA 3.38Å; I254-I301 HydrophobicContact CD1-CG2 4.22Å; W290-I301 HydrophobicContact CD2-CD1 4.44Å; W290-I301 HydrophobicContact CE3-CD1 4.35Å; W290-I301 HydrophobicContact CH2-CB 4.45Å; W290-I301 HydrophobicContact CH2-CD1 3.46Å; W290-I301 VanDerWaalsContact CH2-CD1 3.46Å; W290-I301 HydrophobicContact CH2-CG1 4.05Å; W290-I301 HydrophobicContact CZ2-CD1 3.59Å; W290-I301 HydrophobicContact CZ2-CG1 4.48Å; W290-I301 HydrophobicContact CZ3-CD1 3.88Å; I301-Y303 HydrophobicContact CB-CE2 4.47Å; I301-Y303 HydrophobicContact CG2-CD2 4.37Å; I301-Y303 HydrophobicContact CG2-CE2 3.72Å; I301-P364 CarbonylContact O-C 3.51Å; I301-P364 WeakPolarHBondContact O-CA 3.44Å; I301-V365 PolarHBondContact N-O 3.23Å; I301-V365 PolarHBondContact O-N 3.06Å
302V97.6Very high83.8Confident0 Ų035.1 Ų35.10%019%0.193CC..EExtended strand (participates in β ladder)trans-121.6117-178.9-167.30000109.3L251 I252 L253 I254 V300 Y321 L342 P364L251-V302 HydrophobicContact CD1-CG2 4.01Å; I252-V302 PolarHBondContact O-N 3.48Å; L253-V302 HydrophobicContact CD1-CB 3.71Å; L253-V302 HydrophobicContact CD1-CG1 4.08Å; L253-V302 HydrophobicContact CD1-CG2 4.38Å; I254-V302 PolarHBondContact N-O 2.94Å; V300-V302 HydrophobicContact CG1-CG2 3.74Å; V302-Y321 HydrophobicContact CG1-CE2 4.4Å; V302-Y321 WeakPolarHBondContact CG1-OH 3.38Å; V302-L342 HydrophobicContact CG1-CD2 4.03Å; V302-L342 HydrophobicContact CG2-CD1 3.49Å; V302-L342 VanDerWaalsContact CG2-CD1 3.49Å; V302-L342 HydrophobicContact CG2-CD2 3.95Å; V302-L342 HydrophobicContact CG2-CG 4.38Å; V302-P364 HydrophobicContact CG1-CG 4.38Å
303Y96.7Very high85.5Confident12 Ų1235.1 Ų35.15%0.04718%0.183CC..EExtended strand (participates in β ladder)trans-92.3127.9169.4-57.9-89.3000108.6I230 I254 I301 T305 S362 Q363 V365I230-Y303 HydrophobicContact CD1-CE1 4.26Å; I230-Y303 HydrophobicContact CG2-CE1 4.14Å; I254-Y303 HydrophobicContact CB-CD1 4.23Å; I254-Y303 HydrophobicContact CD1-CD1 4.17Å; I254-Y303 HydrophobicContact CD1-CE1 3.73Å; I254-Y303 HydrophobicContact CG2-CD1 4.42Å; I301-Y303 HydrophobicContact CB-CE2 4.47Å; I301-Y303 HydrophobicContact CG2-CD2 4.37Å; I301-Y303 HydrophobicContact CG2-CE2 3.72Å; Y303-T305 WeakPolarHBondContact CB-O 3.49Å; Y303-T305 PolarHBondContact O-N 3.13Å; Y303-S362 CarbonylContact O-C 3.05Å; Y303-S362 VanDerWaalsContact O-CA 3.26Å; Y303-S362 WeakPolarHBondContact O-CA 3.42Å; Y303-S362 VanDerWaalsContact O-CB 3.24Å; Y303-S362 WeakPolarHBondContact O-CB 3.43Å; Y303-Q363 PolarHBondContact N-O 3.17Å; Y303-Q363 PolarHBondContact O-N 3.01Å; Y303-V365 HydrophobicContact CE2-CG2 4.39Å
304S95.5Very high86.8Confident1 Ų132.7 Ų32.71%0.00717%0.173CC..SBendtrans-62.6-12.3179.459.20000115.2I254 Q255 A256 S311 Q360I254-S304 PolarHBondContact O-N 3.45Å; I254-S304 PolarHBondContact O-OG 2.91Å; Q255-S304 PolarHBondContact OE1-OG 2.58Å; A256-S304 PolarHBondContact N-OG 3.32Å; S304-S311 WeakPolarHBondContact CB-OG 3.38Å; S304-S311 WeakPolarHBondContact OG-CB 3.48Å; S304-S311 PolarHBondContact OG-OG 3.03Å; S304-Q360 PolarHBondContact O-NE2 3.41Å
305T92.5Very high87.9Confident3 Ų333 Ų332%0.01816%0.164CC..SBendtrans-149.4166.6178.4-162.40000111.6R258 Y303 F309 V310 I361R258-T305 HydrophobicContact CB-CG2 4.23Å; R258-T305 WeakPolarHBondContact CD-O 3.18Å; R258-T305 HydrophobicContact CG-CG2 4.08Å; Y303-T305 WeakPolarHBondContact CB-O 3.49Å; Y303-T305 PolarHBondContact O-N 3.13Å; T305-F309 HydrophobicContact CG2-CB 4.45Å; T305-F309 VanDerWaalsContact CG2-O 3.3Å; T305-F309 WeakPolarHBondContact CG2-O 3.45Å; T305-F309 WeakPolarHBondContact OG1-CB 3.34Å; T305-V310 WeakPolarHBondContact CB-O 3.37Å; T305-V310 PolarHBondContact OG1-O 2.74Å; T305-I361 VanDerWaalsContact CA-O 3.29Å; T305-I361 WeakPolarHBondContact CA-O 3.45Å
306L91.7Very high88.3Confident61 Ų6134.5 Ų34.532%0.31917%0.174SC..  trans-73.6159175.9-67-179.9000112G308 F309 I361 Q363L306-G308 PolarHBondContact O-N 2.94Å; L306-F309 HydrophobicContact CB-CD2 3.52Å; L306-F309 HydrophobicContact CB-CE2 3.95Å; L306-F309 HydrophobicContact CB-CG 4.31Å; L306-F309 HydrophobicContact CD1-CE2 4.31Å; L306-F309 PolarHBondContact O-N 2.77Å; L306-I361 HydrophobicContact CD1-CG2 3.78Å; L306-I361 HydrophobicContact CD2-CG2 4.24Å; L306-I361 HydrophobicContact CG-CG2 3.76Å; L306-Q363 HydrophobicContact CD2-CB 4.14Å; L306-Q363 HydrophobicContact CD2-CG 4.48Å
307P87.6Confident88.1Confident44 Ų4439.1 Ų39.129%0.28620%0.196SC..THydrogen-bonded Turntrans-58.1133.9171-16.627.7000111.8E217 F309E217-P307 HydrophobicContact CG-CB 4.29Å; E217-P307 WeakPolarHBondContact OE1-CB 3.42Å; P307-F309 WeakPolarHBondContact O-CD2 3.43Å
308G84.7Confident88Confident4 Ų437.9 Ų37.94%0.04119%0.187CC..THydrogen-bonded Turntrans80.215.9-176.600000115.2R258 E260 L306R258-G308 VanDerWaalsContact O-CA 3.29Å; R258-G308 WeakPolarHBondContact O-CA 3.46Å; R258-G308 PolarHBondContact O-N 3.05Å; E260-G308 VanDerWaalsContact O-O 3.09Å; L306-G308 PolarHBondContact O-N 2.94Å
309F85Confident87.8Confident69 Ų6937.6 Ų37.630%0.30319%0.186SC..  trans-126.9156.6-180-66.1-95.9000112.6R258 T305 L306 P307R258-F309 PolarHBondContact N-O 2.72Å; T305-F309 HydrophobicContact CG2-CB 4.45Å; T305-F309 VanDerWaalsContact CG2-O 3.3Å; T305-F309 WeakPolarHBondContact CG2-O 3.45Å; T305-F309 WeakPolarHBondContact OG1-CB 3.34Å; L306-F309 HydrophobicContact CB-CD2 3.52Å; L306-F309 HydrophobicContact CB-CE2 3.95Å; L306-F309 HydrophobicContact CB-CG 4.31Å; L306-F309 HydrophobicContact CD1-CE2 4.31Å; L306-F309 PolarHBondContact O-N 2.77Å; P307-F309 WeakPolarHBondContact O-CD2 3.43Å
310V85.3Confident87.6Confident31 Ų3139.6 Ų39.619%0.18819%0.193CC..  trans-78.7150172.2169.90000110.5E261 T305 W312E261-V310 HydrophobicContact CB-CG2 4.41Å; E261-V310 HydrophobicContact CG-CB 3.98Å; E261-V310 HydrophobicContact CG-CG2 3.4Å; T305-V310 WeakPolarHBondContact CB-O 3.37Å; T305-V310 PolarHBondContact OG1-O 2.74Å; V310-W312 HydrophobicContact CG1-CD2 4.17Å; V310-W312 HydrophobicContact CG1-CE3 4.49Å; V310-W312 HydrophobicContact CG1-CG 4.49Å
311S80.8Confident87.5Confident10 Ų1039.6 Ų39.67%0.0719%0.193CC..  trans-110.5117.1168.5-168.70000109.1Q255 A256 S304 Q360Q255-S311 PolarHBondContact NE2-OG 3.11Å; A256-S311 WeakPolarHBondContact O-CB 3.45Å; S304-S311 WeakPolarHBondContact CB-OG 3.38Å; S304-S311 WeakPolarHBondContact OG-CB 3.48Å; S304-S311 PolarHBondContact OG-OG 3.03Å; S311-Q360 PolarHBondContact OG-NE2 3.39Å
312W80.9Confident87.6Confident83 Ų8339.5 Ų39.531%0.31419%0.193SC..  trans-82.7143.9-165.6-65.593.2000113.3E261 V310 W320 I358 Q360E261-W312 WeakPolarHBondContact OE1-CZ2 3.49Å; V310-W312 HydrophobicContact CG1-CD2 4.17Å; V310-W312 HydrophobicContact CG1-CE3 4.49Å; V310-W312 HydrophobicContact CG1-CG 4.49Å; W312-W320 PolarHBondContact O-N 2.96Å; W312-I358 HydrophobicContact CD2-CD1 4.23Å; W312-I358 HydrophobicContact CD2-CG2 4.25Å; W312-I358 HydrophobicContact CG-CD1 4.35Å; W312-I358 HydrophobicContact CG-CG2 3.89Å; W312-I358 VanDerWaalsContact NE1-CG2 3.29Å; W312-Q360 VanDerWaalsContact CD1-OE1 3.29Å
313R82.6Confident87.4Confident64 Ų6442.5 Ų42.524%0.24221%0.206CC..EExtended strand (participates in β ladder)trans-139.4136.7-179.8-171.5-173.556.864.3-3.5111.2H157H157-R313 PolarHBondContact O-NH1 3.4Å
314S76.2Confident87.4Confident39 Ų3941.9 Ų41.927%0.27320%0.204SC..EExtended strand (participates in β ladder)trans-91.2139.4165.4172.80000109.6I316 E317 G318S314-I316 PolarHBondContact O-N 2.94Å; S314-I316 PolarHBondContact OG-N 3.19Å; S314-E317 PolarHBondContact OG-N 3.24Å; S314-G318 WeakPolarHBondContact CB-O 3.13Å; S314-G318 PolarHBondContact N-O 2.81Å; S314-G318 WeakPolarHBondContact O-CA 3.32Å; S314-G318 PolarHBondContact O-N 2.94Å; S314-G318 VanDerWaalsContact O-N 3.13Å
315E80Confident87.5Confident126 Ų12641.9 Ų41.959%0.58920%0.203SC*.THydrogen-bonded Turntrans-69.1-22.3174-62.7-170.8158.500113H157 G158H157-E315 HydrophobicContact CB-CG 4.49Å; H157-E315 WeakPolarHBondContact O-CA 3.41Å; G158-E315 WeakPolarHBondContact CA-O 3.39Å
316I79.3Confident87.8Confident131 Ų13142.1 Ų42.167%0.67221%0.205SC*.THydrogen-bonded Turntrans-94.8-46.8-176.9-58.2168.8000110.5S314S314-I316 PolarHBondContact O-N 2.94Å; S314-I316 PolarHBondContact OG-N 3.19Å
317E80.8Confident88Confident106 Ų10642.4 Ų42.450%0.49520%0.204SC..THydrogen-bonded Turntrans-99-11.2-169.8-69.2-63.3158.700114.2K165 S314K165-E317 PolarHBondContact NZ-O 3.47Å; K165-E317 IonicContact NZ-OE2 3.45Å; S314-E317 PolarHBondContact OG-N 3.24Å
318G86.9Confident88.5Confident2 Ų240.3 Ų40.32%0.02119%0.191CC..EExtended strand (participates in β ladder)trans84.2-160.1-168.700000112.7D162 S314D162-G318 VanDerWaalsContact OD1-CA 3.31Å; D162-G318 WeakPolarHBondContact OD1-CA 3.2Å; S314-G318 WeakPolarHBondContact CB-O 3.13Å; S314-G318 PolarHBondContact N-O 2.81Å; S314-G318 WeakPolarHBondContact O-CA 3.32Å; S314-G318 PolarHBondContact O-N 2.94Å; S314-G318 VanDerWaalsContact O-N 3.13Å
319S91.7Very high89.2Confident1 Ų140.1 Ų40.11%0.00719%0.189CC..EExtended strand (participates in β ladder)trans-81.2137.6-174.7-50.90000111.7D162 Q255 Y321 V322 K323D162-S319 VanDerWaalsContact CG-N 3.25Å; D162-S319 PolarHBondContact OD1-N 3.33Å; D162-S319 WeakPolarHBondContact OD2-CB 3.29Å; D162-S319 PolarHBondContact OD2-N 3.35Å; D162-S319 PolarHBondContact OD2-OG 2.61Å; Q255-S319 PolarHBondContact NE2-OG 2.89Å; S319-Y321 VanDerWaalsContact C-N 3.3Å; S319-Y321 PolarHBondContact O-N 2.82Å; S319-V322 PolarHBondContact O-N 3.39Å; S319-K323 PolarHBondContact O-N 3.24Å
320W91.3Very high89.7Confident43 Ų4343.1 Ų43.116%0.16320%0.198CC..Hα-helixtrans-54.7-47.7177.7-74.182.7000111.7W312 V322 K323 V324 L349 E352 Y356W312-W320 PolarHBondContact O-N 2.96Å; W320-V322 PolarHBondContact O-N 3.11Å; W320-K323 PolarHBondContact O-N 2.96Å; W320-V324 WeakPolarHBondContact O-CG2 3.33Å; W320-V324 PolarHBondContact O-N 2.89Å; W320-L349 HydrophobicContact CB-CD1 4.06Å; W320-E352 HydrophobicContact CE3-CB 4.43Å; W320-E352 HydrophobicContact CZ3-CB 4.2Å; W320-Y356 HydrophobicContact CH2-CD1 4.22Å; W320-Y356 AromaticContact CH2-CD2 3.23Å; W320-Y356 HydrophobicContact CH2-CD2 3.23Å; W320-Y356 HydrophobicContact CH2-CE1 4.06Å; W320-Y356 AromaticContact CH2-CE2 3.11Å; W320-Y356 HydrophobicContact CH2-CE2 3.11Å; W320-Y356 AromaticContact CH2-CG 3.83Å; W320-Y356 HydrophobicContact CH2-CG 3.83Å; W320-Y356 AromaticContact CH2-CZ 3.52Å; W320-Y356 HydrophobicContact CZ2-CD1 4.31Å; W320-Y356 AromaticContact CZ2-CD2 3.91Å; W320-Y356 HydrophobicContact CZ2-CD2 3.91Å; W320-Y356 HydrophobicContact CZ2-CE1 4.39Å; W320-Y356 HydrophobicContact CZ2-CE2 4.09Å; W320-Y356 HydrophobicContact CZ2-CG 4.05Å; W320-Y356 AromaticContact CZ3-CD2 3.78Å; W320-Y356 HydrophobicContact CZ3-CD2 3.78Å; W320-Y356 AromaticContact CZ3-CE2 3.67Å; W320-Y356 HydrophobicContact CZ3-CE2 3.67Å
321Y95.4Very high90.2Very high0 Ų046.7 Ų46.70%022%0.216CC..Hα-helixtrans-59.8-47.4178.3175.9-90.2000112.1L253 V302 S319 K323 V324 F325 V345 L349L253-Y321 HydrophobicContact CD1-CE1 3.43Å; L253-Y321 VanDerWaalsContact CD1-CE1 3.43Å; L253-Y321 WeakPolarHBondContact CD1-OH 3.29Å; L253-Y321 HydrophobicContact CD2-CE1 4.15Å; L253-Y321 HydrophobicContact CG-CE1 4.11Å; V302-Y321 HydrophobicContact CG1-CE2 4.4Å; V302-Y321 WeakPolarHBondContact CG1-OH 3.38Å; S319-Y321 VanDerWaalsContact C-N 3.3Å; S319-Y321 PolarHBondContact O-N 2.82Å; Y321-K323 PolarHBondContact O-N 3.22Å; Y321-V324 PolarHBondContact O-N 3.05Å; Y321-F325 HydrophobicContact CE1-CB 4.19Å; Y321-F325 HydrophobicContact CE1-CG 4.48Å; Y321-F325 WeakPolarHBondContact O-CB 3.35Å; Y321-F325 PolarHBondContact O-N 3.11Å; Y321-V345 HydrophobicContact CD2-CG1 4.13Å; Y321-V345 HydrophobicContact CE2-CG1 3.67Å; Y321-L349 HydrophobicContact CD2-CD2 3.9Å
322V96.9Very high90.9Very high0 Ų047.5 Ų47.50%022%0.218CC..Hα-helixtrans-64.3-43.2-179.21740000111D162 L166 L212 Q255 S319 W320 F325 V326D162-V322 HydrophobicContact CB-CB 4.2Å; D162-V322 HydrophobicContact CB-CG1 3.81Å; D162-V322 HydrophobicContact CB-CG2 4.2Å; L166-V322 HydrophobicContact CD1-CG1 3.82Å; L166-V322 HydrophobicContact CD1-CG2 4.31Å; L166-V322 HydrophobicContact CD2-CG1 4.15Å; L166-V322 HydrophobicContact CG-CG1 3.75Å; L212-V322 HydrophobicContact CD2-CG2 4.27Å; Q255-V322 HydrophobicContact CB-CG2 4.49Å; Q255-V322 HydrophobicContact CG-CG2 4.17Å; S319-V322 PolarHBondContact O-N 3.39Å; W320-V322 PolarHBondContact O-N 3.11Å; V322-F325 PolarHBondContact O-N 3.02Å; V322-V326 HydrophobicContact CG1-CG2 4.19Å; V322-V326 WeakPolarHBondContact O-CB 3.34Å; V322-V326 VanDerWaalsContact O-CG2 3.23Å; V322-V326 WeakPolarHBondContact O-CG2 3.43Å; V322-V326 PolarHBondContact O-N 3.32Å
323K94.5Very high91.5Very high62 Ų6243.5 Ų43.527%0.2720%0.203SC..Hα-helixtrans-54.5-56174.6179-170.9170.8-161.90111.1S319 W320 Y321 F325 V326 E327 E352S319-K323 PolarHBondContact O-N 3.24Å; W320-K323 PolarHBondContact O-N 2.96Å; Y321-K323 PolarHBondContact O-N 3.22Å; K323-F325 PolarHBondContact O-N 3.11Å; K323-V326 PolarHBondContact O-N 2.82Å; K323-E327 WeakPolarHBondContact CE-OE1 3.33Å; K323-E327 WeakPolarHBondContact CG-OE1 3.42Å; K323-E327 WeakPolarHBondContact O-CG 3.28Å; K323-E327 PolarHBondContact O-N 3.42Å; K323-E352 IonicContact NZ-OE2 3.42Å
324V95.8Very high91.9Very high0 Ų046.9 Ų46.90%022%0.222CC..Hα-helixtrans-63-42.5-178.7176.10000111.2W320 Y321 V326 E327 V328 V345 R348W320-V324 WeakPolarHBondContact O-CG2 3.33Å; W320-V324 PolarHBondContact O-N 2.89Å; Y321-V324 PolarHBondContact O-N 3.05Å; V324-V326 PolarHBondContact O-N 3.24Å; V324-E327 PolarHBondContact O-N 3.4Å; V324-V328 HydrophobicContact CG1-CG2 4.16Å; V324-V328 WeakPolarHBondContact O-CB 3.46Å; V324-V328 WeakPolarHBondContact O-CG2 3.43Å; V324-V328 PolarHBondContact O-N 3Å; V324-V345 HydrophobicContact CG1-CB 4.37Å; V324-V345 HydrophobicContact CG1-CG1 4.07Å; V324-V345 HydrophobicContact CG1-CG2 4.45Å; V324-R348 HydrophobicContact CG1-CB 3.61Å
325F98.2Very high92.5Very high0 Ų051.5 Ų51.50%023%0.233CC..Hα-helixtrans-57.8-47.3176.9177.7-96.2000112.1L166 L169 F170 Y321 V322 K323 T329 L342 V345L166-F325 HydrophobicContact CD2-CD1 3.93Å; L166-F325 HydrophobicContact CD2-CE1 4.08Å; L169-F325 HydrophobicContact CD2-CD1 4.25Å; L169-F325 HydrophobicContact CD2-CE1 3.87Å; F170-F325 HydrophobicContact CE2-CE1 4.44Å; Y321-F325 HydrophobicContact CE1-CB 4.19Å; Y321-F325 HydrophobicContact CE1-CG 4.48Å; Y321-F325 WeakPolarHBondContact O-CB 3.35Å; Y321-F325 PolarHBondContact O-N 3.11Å; V322-F325 PolarHBondContact O-N 3.02Å; K323-F325 PolarHBondContact O-N 3.11Å; F325-T329 VanDerWaalsContact O-CB 3.22Å; F325-T329 WeakPolarHBondContact O-CB 2.88Å; F325-T329 PolarHBondContact O-N 3.02Å; F325-T329 PolarHBondContact O-OG1 2.9Å; F325-L342 HydrophobicContact CD2-CD2 4.18Å; F325-L342 HydrophobicContact CE2-CD2 4.06Å; F325-V345 HydrophobicContact CB-CG2 4.35Å; F325-V345 HydrophobicContact CD2-CG2 4.19Å
326V98.1Very high93.1Very high8 Ų847.3 Ų47.35%0.04822%0.215CC..Hα-helixtrans-64.2-45.4178.6170.90000110.9K165 L166 L169 V322 K323 V324 T329 R330K165-V326 HydrophobicContact CB-CG1 4.48Å; K165-V326 HydrophobicContact CB-CG2 4.1Å; L166-V326 HydrophobicContact CD2-CG2 3.97Å; L166-V326 HydrophobicContact CG-CG2 4.36Å; L169-V326 HydrophobicContact CD2-CG2 4.08Å; V322-V326 HydrophobicContact CG1-CG2 4.19Å; V322-V326 WeakPolarHBondContact O-CB 3.34Å; V322-V326 VanDerWaalsContact O-CG2 3.23Å; V322-V326 WeakPolarHBondContact O-CG2 3.43Å; V322-V326 PolarHBondContact O-N 3.32Å; K323-V326 PolarHBondContact O-N 2.82Å; V324-V326 PolarHBondContact O-N 3.24Å; V326-T329 PolarHBondContact O-N 3.44Å; V326-R330 HydrophobicContact CG1-CG 4.48Å; V326-R330 WeakPolarHBondContact O-CB 3.45Å; V326-R330 WeakPolarHBondContact O-CG 3.18Å; V326-R330 PolarHBondContact O-N 3.26Å
327E97Very high93.9Very high67 Ų6742.7 Ų42.731%0.31319%0.19SC..Hα-helixtrans-63.9-47.1-179.4-71.5174.7-168.900112.6K323 V324 R330 L331 R348K323-E327 WeakPolarHBondContact CE-OE1 3.33Å; K323-E327 WeakPolarHBondContact CG-OE1 3.42Å; K323-E327 WeakPolarHBondContact O-CG 3.28Å; K323-E327 PolarHBondContact O-N 3.42Å; V324-E327 PolarHBondContact O-N 3.4Å; E327-R330 PolarHBondContact O-N 2.73Å; E327-L331 WeakPolarHBondContact O-CB 3.29Å; E327-L331 PolarHBondContact O-N 2.89Å; E327-R348 IonicContact OE2-CZ 2.78Å; E327-R348 IonicContact OE2-NH1 2.76Å; E327-R348 PolarHBondContact OE2-NH1 3.25Å; E327-R348 IonicContact OE2-NH2 3.44Å; E327-R348 PolarHBondContact OE2-NH2 2.84Å
328V98Very high94.7Very high1 Ų137.7 Ų37.71%0.00617%0.167CC..Hα-helixtrans-62.6-44.3176.8171.60000110.8V324 R330 L331 H332 L341 E344 V345V324-V328 HydrophobicContact CG1-CG2 4.16Å; V324-V328 WeakPolarHBondContact O-CB 3.46Å; V324-V328 WeakPolarHBondContact O-CG2 3.43Å; V324-V328 PolarHBondContact O-N 3Å; V328-R330 PolarHBondContact O-N 2.96Å; V328-L331 PolarHBondContact O-N 2.83Å; V328-H332 WeakPolarHBondContact O-CB 3.42Å; V328-H332 PolarHBondContact O-N 3.38Å; V328-L341 HydrophobicContact CG1-CD2 4.15Å; V328-E344 HydrophobicContact CG1-CB 3.96Å; V328-E344 HydrophobicContact CG1-CG 3.84Å; V328-E344 HydrophobicContact CG2-CG 3.97Å; V328-V345 HydrophobicContact CB-CG2 3.78Å; V328-V345 HydrophobicContact CG1-CG2 3.97Å; V328-V345 HydrophobicContact CG2-CG2 3.96Å
329T97.7Very high95.2Very high0 Ų040.1 Ų40.10%018%0.179CC..Hα-helixtrans-67.6-37.3-178.9-54.30000111.7L169 F173 F325 V326 L331 G333 L341 L374L169-T329 HydrophobicContact CD1-CG2 3.91Å; L169-T329 HydrophobicContact CD2-CG2 4.05Å; L169-T329 HydrophobicContact CG-CG2 4.35Å; F173-T329 HydrophobicContact CE2-CG2 3.91Å; F173-T329 HydrophobicContact CZ-CG2 4.32Å; F325-T329 VanDerWaalsContact O-CB 3.22Å; F325-T329 WeakPolarHBondContact O-CB 2.88Å; F325-T329 PolarHBondContact O-N 3.02Å; F325-T329 PolarHBondContact O-OG1 2.9Å; V326-T329 PolarHBondContact O-N 3.44Å; T329-L331 VanDerWaalsContact C-N 3.35Å; T329-G333 WeakPolarHBondContact O-CA 3.4Å; T329-G333 PolarHBondContact O-N 2.72Å; T329-L341 HydrophobicContact CG2-CD1 4.43Å; T329-L374 HydrophobicContact CG2-CD1 3.37Å
330R96.5Very high95.4Very high131 Ų13142.9 Ų42.949%0.49419%0.192SC..Hα-helixtrans-62.7-42.9172.5-78.4-175.8162.1-174.7-9.1112I168 L169 D172 V326 E327 V328I168-R330 VanDerWaalsContact CG2-NH2 3.26Å; L169-R330 HydrophobicContact CD1-CG 3.66Å; D172-R330 IonicContact OD2-CZ 3.99Å; D172-R330 IonicContact OD2-NE 3.92Å; D172-R330 IonicContact OD2-NH2 3.23Å; D172-R330 PolarHBondContact OD2-NH2 2.93Å; V326-R330 HydrophobicContact CG1-CG 4.48Å; V326-R330 WeakPolarHBondContact O-CB 3.45Å; V326-R330 WeakPolarHBondContact O-CG 3.18Å; V326-R330 PolarHBondContact O-N 3.26Å; E327-R330 PolarHBondContact O-N 2.73Å; V328-R330 PolarHBondContact O-N 2.96Å
331L96Very high95.8Very high107 Ų10740.9 Ų40.956%0.5618%0.184SC*.Hα-helixtrans-74.1-32.1-176.5-164.164.9000112.6E327 V328 T329 H334E327-L331 WeakPolarHBondContact O-CB 3.29Å; E327-L331 PolarHBondContact O-N 2.89Å; V328-L331 PolarHBondContact O-N 2.83Å; T329-L331 VanDerWaalsContact C-N 3.35Å; L331-H334 PolarHBondContact O-CE1 3.26Å; L331-H334 VanDerWaalsContact O-CE1 3.31Å
332H95.6Very high95.9Very high26 Ų2641 Ų4112%0.1219%0.185CC..Hα-helixtrans-131.6-9.8-166.1-60.4-21.6000115.3V328 H334 R335 L336 L341V328-H332 WeakPolarHBondContact O-CB 3.42Å; V328-H332 PolarHBondContact O-N 3.38Å; H332-H334 PolarHBondContact O-N 3.01Å; H332-H334 VanDerWaalsContact O-N 3.11Å; H332-R335 HydrophobicContact CB-CG 4.45Å; H332-R335 PolarHBondContact CE1-NH2 2.86Å; H332-R335 VanDerWaalsContact ND1-CZ 3.3Å; H332-R335 PolarHBondContact ND1-NE 3.4Å; H332-R335 PolarHBondContact ND1-NH2 3.12Å; H332-R335 WeakPolarHBondContact O-CG 3.48Å; H332-R335 PolarHBondContact O-N 3.41Å; H332-L336 HydrophobicContact CB-CB 4.48Å; H332-L336 HydrophobicContact CB-CD1 3.79Å; H332-L336 HydrophobicContact CB-CG 4.01Å; H332-L336 PolarHBondContact O-N 3.39Å; H332-L341 HydrophobicContact CB-CD2 3.58Å
333G93.5Very high96Very high0 Ų045.6 Ų45.60%021%0.213CC..THydrogen-bonded Turntrans-67.2-15.3-171.900000115.2F173 T329 R335F173-G333 WeakPolarHBondContact CE1-O 3.38Å; T329-G333 WeakPolarHBondContact O-CA 3.4Å; T329-G333 PolarHBondContact O-N 2.72Å; G333-R335 VanDerWaalsContact C-N 3.34Å
334H89.9Confident96.1Very high134 Ų13445.3 Ų45.362%0.6221%0.212SC*.THydrogen-bonded Turntrans-82.3-10.717363.7-89.5000113.5L331 H332L331-H334 PolarHBondContact O-CE1 3.26Å; L331-H334 VanDerWaalsContact O-CE1 3.31Å; H332-H334 PolarHBondContact O-N 3.01Å; H332-H334 VanDerWaalsContact O-N 3.11Å
335R89.4Confident96.2Very high137 Ų13745.3 Ų45.352%0.51721%0.212SC..THydrogen-bonded Turntrans-132.4-26.2-170.661.9174.3-164.7168.310.2115.1H332 G333 Y373H332-R335 HydrophobicContact CB-CG 4.45Å; H332-R335 PolarHBondContact CE1-NH2 2.86Å; H332-R335 VanDerWaalsContact ND1-CZ 3.3Å; H332-R335 PolarHBondContact ND1-NE 3.4Å; H332-R335 PolarHBondContact ND1-NH2 3.12Å; H332-R335 WeakPolarHBondContact O-CG 3.48Å; H332-R335 PolarHBondContact O-N 3.41Å; G333-R335 VanDerWaalsContact C-N 3.34Å; R335-Y373 WeakPolarHBondContact O-CE1 3.45Å
336L93.3Very high96.2Very high38 Ų3846.5 Ų46.520%0.19922%0.219CC..SBendtrans-106.9146.1-180-60.3-172.5000110.6H332 E340 L341 Y373H332-L336 HydrophobicContact CB-CB 4.48Å; H332-L336 HydrophobicContact CB-CD1 3.79Å; H332-L336 HydrophobicContact CB-CG 4.01Å; H332-L336 PolarHBondContact O-N 3.39Å; L336-E340 HydrophobicContact CB-CB 4.09Å; L336-E340 HydrophobicContact CD1-CB 4.23Å; L336-L341 HydrophobicContact CB-CD2 3.8Å; L336-L341 HydrophobicContact CB-CG 4.09Å; L336-L341 HydrophobicContact CD1-CD2 4.33Å; L336-Y373 VanDerWaalsContact C-CE1 3.43Å; L336-Y373 WeakPolarHBondContact O-CD1 3.42Å
337H95.2Very high96.1Very high33 Ų3350.9 Ų50.915%0.15324%0.242CC..  trans-77.9161.1172.371.190.4000110.8L339 E340 L341 P371 Y372 Y373H337-L339 VanDerWaalsContact C-N 3.26Å; H337-L339 PolarHBondContact O-N 2.91Å; H337-L339 VanDerWaalsContact O-N 3.08Å; H337-E340 VanDerWaalsContact CD2-CD 3.47Å; H337-E340 IonicContact CD2-OE2 2.73Å; H337-E340 PolarHBondContact CD2-OE2 3.35Å; H337-E340 IonicContact CG-OE2 2.72Å; H337-E340 PolarHBondContact N-OE2 2.89Å; H337-E340 WeakPolarHBondContact NE2-CG 3.49Å; H337-E340 IonicContact NE2-OE2 3.11Å; H337-E340 PolarHBondContact O-N 3.13Å; H337-L341 PolarHBondContact O-N 3.25Å; H337-L341 VanDerWaalsContact O-N 3.09Å; H337-P371 HydrophobicContact CB-CB 4.07Å; H337-Y372 CarbonylContact C-O 3.51Å; H337-Y372 WeakPolarHBondContact CA-O 3.22Å; H337-Y372 WeakPolarHBondContact CB-O 3.38Å; H337-Y373 HydrophobicContact CB-CD1 4.33Å; H337-Y373 HydrophobicContact CB-CD2 4.23Å; H337-Y373 HydrophobicContact CB-CE1 4.04Å; H337-Y373 HydrophobicContact CB-CE2 3.92Å; H337-Y373 HydrophobicContact CB-CG 4.43Å
338I98Very high96.1Very high1 Ų150.4 Ų50.41%0.00524%0.237CC..Hα-helixtrans-55.7-35.6-168-166.559.7000114.1L251 V300 L341 L342 L368 Y372L251-I338 HydrophobicContact CD1-CG1 4.38Å; L251-I338 HydrophobicContact CD2-CD1 4.17Å; V300-I338 HydrophobicContact CG2-CG2 3.94Å; I338-L341 HydrophobicContact CD1-CD1 4.2Å; I338-L341 WeakPolarHBondContact O-CB 3.42Å; I338-L341 PolarHBondContact O-N 3.3Å; I338-L342 HydrophobicContact CG1-CD1 4.19Å; I338-L342 HydrophobicContact CG1-CG 4.47Å; I338-L342 WeakPolarHBondContact O-CB 3.43Å; I338-L342 WeakPolarHBondContact O-CG 3.42Å; I338-L342 PolarHBondContact O-N 3.15Å; I338-L368 HydrophobicContact CG2-CD1 3.72Å; I338-Y372 HydrophobicContact CB-CD1 4.02Å; I338-Y372 HydrophobicContact CG1-CD1 4.39Å; I338-Y372 HydrophobicContact CG2-CD1 3.84Å; I338-Y372 HydrophobicContact CG2-CG 4.3Å; I338-Y372 PolarHBondContact N-O 3.47Å
339L97.7Very high95.9Very high53 Ų5350.3 Ų50.328%0.27724%0.237SC..Hα-helixtrans-70.8-37.8-179.1-57.7178.8000111.6V300 H337 L342 T343 T366 L368V300-L339 HydrophobicContact CG1-CD2 4.39Å; V300-L339 HydrophobicContact CG2-CD2 4.28Å; H337-L339 VanDerWaalsContact C-N 3.26Å; H337-L339 PolarHBondContact O-N 2.91Å; H337-L339 VanDerWaalsContact O-N 3.08Å; L339-L342 PolarHBondContact O-N 3.02Å; L339-T343 PolarHBondContact O-N 3.27Å; L339-T343 PolarHBondContact O-OG1 3.22Å; L339-T366 HydrophobicContact CD1-CG2 4.17Å; L339-T366 HydrophobicContact CD2-CG2 4.18Å; L339-L368 HydrophobicContact CG-CD1 4.43Å
340E96.2Very high95.6Very high60 Ų6053.2 Ų53.228%0.2825%0.254SS..Hα-helixtrans-66.4-40.4172.9-69.3176.9121.400111.5H124 L336 H337 L342 T343 E344H124-E340 IonicContact NE2-OE1 3.05Å; H124-E340 IonicContact NE2-OE2 3.44Å; L336-E340 HydrophobicContact CB-CB 4.09Å; L336-E340 HydrophobicContact CD1-CB 4.23Å; H337-E340 VanDerWaalsContact CD2-CD 3.47Å; H337-E340 IonicContact CD2-OE2 2.73Å; H337-E340 PolarHBondContact CD2-OE2 3.35Å; H337-E340 IonicContact CG-OE2 2.72Å; H337-E340 PolarHBondContact N-OE2 2.89Å; H337-E340 WeakPolarHBondContact NE2-CG 3.49Å; H337-E340 IonicContact NE2-OE2 3.11Å; H337-E340 PolarHBondContact O-N 3.13Å; E340-L342 VanDerWaalsContact C-N 3.29Å; E340-L342 PolarHBondContact O-N 3.43Å; E340-T343 WeakPolarHBondContact O-CB 3.49Å; E340-T343 PolarHBondContact O-N 3.5Å; E340-E344 PolarHBondContact O-N 2.95Å
341L98Very high95.3Very high1 Ų150.3 Ų50.31%0.00525%0.254CS..Hα-helixtrans-56.5-47172.7-64.5176000110.5V328 T329 H332 L336 H337 I338 T343 E344 V345V328-L341 HydrophobicContact CG1-CD2 4.15Å; T329-L341 HydrophobicContact CG2-CD1 4.43Å; H332-L341 HydrophobicContact CB-CD2 3.58Å; L336-L341 HydrophobicContact CB-CD2 3.8Å; L336-L341 HydrophobicContact CB-CG 4.09Å; L336-L341 HydrophobicContact CD1-CD2 4.33Å; H337-L341 PolarHBondContact O-N 3.25Å; H337-L341 VanDerWaalsContact O-N 3.09Å; I338-L341 HydrophobicContact CD1-CD1 4.2Å; I338-L341 WeakPolarHBondContact O-CB 3.42Å; I338-L341 PolarHBondContact O-N 3.3Å; L341-T343 VanDerWaalsContact C-N 3.34Å; L341-T343 PolarHBondContact O-N 3.38Å; L341-E344 PolarHBondContact O-N 2.89Å; L341-V345 VanDerWaalsContact O-CG2 3.28Å; L341-V345 WeakPolarHBondContact O-CG2 3.46Å; L341-V345 PolarHBondContact O-N 3.47Å
342L98.4Very high94.8Very high1 Ų146.8 Ų46.81%0.00524%0.235CC..Hα-helixtrans-68-32.2179.6-66.9172.7000112.8V300 V302 F325 I338 L339 E340 V345 N346 P364V300-L342 HydrophobicContact CG1-CD1 3.83Å; V302-L342 HydrophobicContact CG1-CD2 4.03Å; V302-L342 HydrophobicContact CG2-CD1 3.49Å; V302-L342 VanDerWaalsContact CG2-CD1 3.49Å; V302-L342 HydrophobicContact CG2-CD2 3.95Å; V302-L342 HydrophobicContact CG2-CG 4.38Å; F325-L342 HydrophobicContact CD2-CD2 4.18Å; F325-L342 HydrophobicContact CE2-CD2 4.06Å; I338-L342 HydrophobicContact CG1-CD1 4.19Å; I338-L342 HydrophobicContact CG1-CG 4.47Å; I338-L342 WeakPolarHBondContact O-CB 3.43Å; I338-L342 WeakPolarHBondContact O-CG 3.42Å; I338-L342 PolarHBondContact O-N 3.15Å; L339-L342 PolarHBondContact O-N 3.02Å; E340-L342 VanDerWaalsContact C-N 3.29Å; E340-L342 PolarHBondContact O-N 3.43Å; L342-V345 PolarHBondContact O-N 2.77Å; L342-N346 PolarHBondContact O-N 3.39Å; L342-P364 HydrophobicContact CB-CG 3.91Å; L342-P364 HydrophobicContact CD1-CB 3.92Å; L342-P364 HydrophobicContact CD1-CG 4.02Å; L342-P364 HydrophobicContact CG-CG 4.47Å
343T98Very high94.2Very high97 Ų9745.6 Ų45.660%0.59523%0.23SC*.Hα-helixtrans-62.6-46.2170.6-60.10000111.1L339 E340 L341 N346 N347L339-T343 PolarHBondContact O-N 3.27Å; L339-T343 PolarHBondContact O-OG1 3.22Å; E340-T343 WeakPolarHBondContact O-CB 3.49Å; E340-T343 PolarHBondContact O-N 3.5Å; L341-T343 VanDerWaalsContact C-N 3.34Å; L341-T343 PolarHBondContact O-N 3.38Å; T343-N346 PolarHBondContact O-N 2.85Å; T343-N347 PolarHBondContact O-N 2.94Å
344E97.8Very high93.6Very high56 Ų5648.8 Ų48.826%0.26225%0.252SS..Hα-helixtrans-68.8-35.2177.8178.756.1-164.900112.2V328 E340 L341 N346 N347 R348V328-E344 HydrophobicContact CG1-CB 3.96Å; V328-E344 HydrophobicContact CG1-CG 3.84Å; V328-E344 HydrophobicContact CG2-CG 3.97Å; E340-E344 PolarHBondContact O-N 2.95Å; L341-E344 PolarHBondContact O-N 2.89Å; E344-N346 VanDerWaalsContact C-N 3.31Å; E344-N346 PolarHBondContact O-N 3.19Å; E344-N347 WeakPolarHBondContact O-CB 3.41Å; E344-N347 PolarHBondContact O-N 2.98Å; E344-N347 PolarHBondContact OE2-ND2 3.39Å; E344-R348 PolarHBondContact O-N 3.02Å; E344-R348 WeakPolarHBondContact OE1-CD 3.48Å; E344-R348 VanDerWaalsContact OE1-CG 3.3Å; E344-R348 WeakPolarHBondContact OE1-CG 3.36Å
345V98.1Very high93.2Very high0 Ų048.4 Ų48.40%026%0.255CS..Hα-helixtrans-58-45.1170.2168.80000110.7Y321 V324 F325 V328 L341 L342 R348 L349Y321-V345 HydrophobicContact CD2-CG1 4.13Å; Y321-V345 HydrophobicContact CE2-CG1 3.67Å; V324-V345 HydrophobicContact CG1-CB 4.37Å; V324-V345 HydrophobicContact CG1-CG1 4.07Å; V324-V345 HydrophobicContact CG1-CG2 4.45Å; F325-V345 HydrophobicContact CB-CG2 4.35Å; F325-V345 HydrophobicContact CD2-CG2 4.19Å; V328-V345 HydrophobicContact CB-CG2 3.78Å; V328-V345 HydrophobicContact CG1-CG2 3.97Å; V328-V345 HydrophobicContact CG2-CG2 3.96Å; L341-V345 VanDerWaalsContact O-CG2 3.28Å; L341-V345 WeakPolarHBondContact O-CG2 3.46Å; L341-V345 PolarHBondContact O-N 3.47Å; L342-V345 PolarHBondContact O-N 2.77Å; V345-R348 PolarHBondContact O-N 3.04Å; V345-L349 WeakPolarHBondContact O-CB 3.12Å; V345-L349 PolarHBondContact O-N 3.5Å
346N97.8Very high92.7Very high26 Ų2649.4 Ų49.414%0.13926%0.26CS..Hα-helixtrans-64.6-42.5176.9-86-15000112.8L342 T343 E344 R348 L349 V350 I361 S362L342-N346 PolarHBondContact O-N 3.39Å; T343-N346 PolarHBondContact O-N 2.85Å; E344-N346 VanDerWaalsContact C-N 3.31Å; E344-N346 PolarHBondContact O-N 3.19Å; N346-R348 PolarHBondContact O-N 3.3Å; N346-L349 PolarHBondContact O-N 3.46Å; N346-V350 WeakPolarHBondContact O-CB 2.99Å; N346-V350 VanDerWaalsContact O-CG2 3.3Å; N346-V350 WeakPolarHBondContact O-CG2 3.34Å; N346-V350 PolarHBondContact O-N 3.16Å; N346-I361 HydrophobicContact CB-CD1 4.32Å; N346-I361 HydrophobicContact CB-CG1 4.04Å; N346-I361 WeakPolarHBondContact OD1-CG1 3.43Å; N346-S362 PolarHBondContact ND2-O 3.21Å; N346-S362 WeakPolarHBondContact OD1-CA 3.31Å; N346-S362 WeakPolarHBondContact OD1-CB 3.47Å; N346-S362 PolarHBondContact OD1-N 3.06Å; N346-S362 PolarHBondContact OD1-O 3.33Å; N346-S362 PolarHBondContact OD1-OG 2.84Å
347N96.7Very high92.2Very high100 Ų10051.1 Ų51.154%0.53529%0.286SS..Hα-helixtrans-56.2-50.7175.9178.743.4000111.4T343 E344 S351T343-N347 PolarHBondContact O-N 2.94Å; E344-N347 WeakPolarHBondContact O-CB 3.41Å; E344-N347 PolarHBondContact O-N 2.98Å; E344-N347 PolarHBondContact OE2-ND2 3.39Å; N347-S351 WeakPolarHBondContact O-CB 3.37Å; N347-S351 PolarHBondContact O-N 3.22Å
348R95.5Very high91.5Very high56 Ų5651 Ų5121%0.21129%0.286CS..Hα-helixtrans-70.5-41.4179.6-70.3-170.861-164.3-8.1113.3V324 E327 E344 V345 N346 V350 S351 E352V324-R348 HydrophobicContact CG1-CB 3.61Å; E327-R348 IonicContact OE2-CZ 2.78Å; E327-R348 IonicContact OE2-NH1 2.76Å; E327-R348 PolarHBondContact OE2-NH1 3.25Å; E327-R348 IonicContact OE2-NH2 3.44Å; E327-R348 PolarHBondContact OE2-NH2 2.84Å; E344-R348 PolarHBondContact O-N 3.02Å; E344-R348 WeakPolarHBondContact OE1-CD 3.48Å; E344-R348 VanDerWaalsContact OE1-CG 3.3Å; E344-R348 WeakPolarHBondContact OE1-CG 3.36Å; V345-R348 PolarHBondContact O-N 3.04Å; N346-R348 PolarHBondContact O-N 3.3Å; R348-V350 PolarHBondContact O-N 3.29Å; R348-S351 PolarHBondContact O-N 2.98Å; R348-E352 IonicContact CZ-OE1 2.99Å; R348-E352 IonicContact NE-OE1 2.74Å; R348-E352 PolarHBondContact NE-OE1 3.07Å; R348-E352 IonicContact NH2-OE1 3.51Å; R348-E352 PolarHBondContact NH2-OE1 3.23Å; R348-E352 WeakPolarHBondContact O-CB 3.31Å; R348-E352 WeakPolarHBondContact O-CG 2.95Å; R348-E352 PolarHBondContact O-N 3.47Å
349L94.1Very high90.8Very high0 Ų058.3 Ų58.30%032%0.318CS..Hα-helixtrans-60.7-44.5179.8-178.463.2000111.6W320 Y321 V345 N346 A353 Q360W320-L349 HydrophobicContact CB-CD1 4.06Å; Y321-L349 HydrophobicContact CD2-CD2 3.9Å; V345-L349 WeakPolarHBondContact O-CB 3.12Å; V345-L349 PolarHBondContact O-N 3.5Å; N346-L349 PolarHBondContact O-N 3.46Å; L349-A353 WeakPolarHBondContact O-CB 3.46Å; L349-A353 PolarHBondContact O-N 2.73Å; L349-Q360 HydrophobicContact CD2-CG 4.07Å; L349-Q360 HydrophobicContact CG-CB 4.43Å; L349-Q360 HydrophobicContact CG-CG 4.44Å
350V92.9Very high90.4Very high60 Ų6056 Ų5636%0.36431%0.306SS..Hα-helixtrans-64.3-44.1176.9171.10000110.8N346 R348 S354 I361N346-V350 WeakPolarHBondContact O-CB 2.99Å; N346-V350 VanDerWaalsContact O-CG2 3.3Å; N346-V350 WeakPolarHBondContact O-CG2 3.34Å; N346-V350 PolarHBondContact O-N 3.16Å; R348-V350 PolarHBondContact O-N 3.29Å; V350-S354 VanDerWaalsContact O-CB 3.27Å; V350-S354 WeakPolarHBondContact O-CB 3.47Å; V350-S354 PolarHBondContact O-N 3.42Å; V350-S354 VanDerWaalsContact O-N 3.11Å; V350-S354 PolarHBondContact O-OG 2.7Å; V350-I361 HydrophobicContact CG2-CB 4.02Å; V350-I361 HydrophobicContact CG2-CD1 4.05Å; V350-I361 HydrophobicContact CG2-CG1 4.02Å
351S89.8Confident90.3Very high70 Ų7056.2 Ų56.249%0.4931%0.308SS..Hα-helixtrans-63.3-50.9178.7-175.70000112.2N347 R348 S354 N355N347-S351 WeakPolarHBondContact O-CB 3.37Å; N347-S351 PolarHBondContact O-N 3.22Å; R348-S351 PolarHBondContact O-N 2.98Å; S351-S354 PolarHBondContact O-N 3.46Å; S351-N355 PolarHBondContact O-N 3.23Å; S351-N355 PolarHBondContact O-ND2 3.07Å
352E85.4Confident90.2Very high33 Ų3356.3 Ų56.315%0.15431%0.309CS..Hα-helixtrans-67.4-44.9-178-72.4-175.1-143.300112W320 K323 R348 S354 N355 Y356W320-E352 HydrophobicContact CE3-CB 4.43Å; W320-E352 HydrophobicContact CZ3-CB 4.2Å; K323-E352 IonicContact NZ-OE2 3.42Å; R348-E352 IonicContact CZ-OE1 2.99Å; R348-E352 IonicContact NE-OE1 2.74Å; R348-E352 PolarHBondContact NE-OE1 3.07Å; R348-E352 IonicContact NH2-OE1 3.51Å; R348-E352 PolarHBondContact NH2-OE1 3.23Å; R348-E352 WeakPolarHBondContact O-CB 3.31Å; R348-E352 WeakPolarHBondContact O-CG 2.95Å; R348-E352 PolarHBondContact O-N 3.47Å; E352-S354 VanDerWaalsContact C-N 3.3Å; E352-S354 PolarHBondContact O-N 3.14Å; E352-N355 WeakPolarHBondContact O-CB 3.46Å; E352-N355 PolarHBondContact O-N 2.64Å; E352-Y356 VanDerWaalsContact O-CD2 3.27Å; E352-Y356 WeakPolarHBondContact O-CD2 3.44Å
353A81.4Confident90.1Very high1 Ų159.3 Ų59.31%0.00832%0.323CS..Hα-helixtrans-63.1-37.4178.300000112L349 N355 Y356 G357 I358L349-A353 WeakPolarHBondContact O-CB 3.46Å; L349-A353 PolarHBondContact O-N 2.73Å; A353-N355 PolarHBondContact O-N 2.93Å; A353-Y356 CarbonylContact O-C 3.6Å; A353-Y356 PolarHBondContact O-N 3.46Å; A353-G357 PolarHBondContact O-N 2.99Å; A353-I358 CarbonylContact C-O 3.59Å; A353-I358 HydrophobicContact CB-CB 4.05Å; A353-I358 HydrophobicContact CB-CG2 4.06Å; A353-I358 VanDerWaalsContact CB-O 3.3Å; A353-I358 WeakPolarHBondContact CB-O 3.41Å; A353-I358 PolarHBondContact O-N 3.24Å; A353-I358 VanDerWaalsContact O-O 3.1Å
354S82.9Confident90Very high67 Ų6757 Ų5747%0.46931%0.309SS..Hα-helixtrans-61.3-30.9179.1-63.70000112.6V350 S351 E352 Y356 G357 I358V350-S354 VanDerWaalsContact O-CB 3.27Å; V350-S354 WeakPolarHBondContact O-CB 3.47Å; V350-S354 PolarHBondContact O-N 3.42Å; V350-S354 VanDerWaalsContact O-N 3.11Å; V350-S354 PolarHBondContact O-OG 2.7Å; S351-S354 PolarHBondContact O-N 3.46Å; E352-S354 VanDerWaalsContact C-N 3.3Å; E352-S354 PolarHBondContact O-N 3.14Å; S354-Y356 PolarHBondContact O-N 3.28Å; S354-G357 PolarHBondContact O-N 3.15Å; S354-I358 PolarHBondContact N-O 3.49Å
355N80.3Confident89.8Confident127 Ų12755.5 Ų55.568%0.67930%0.304SS*.THydrogen-bonded Turntrans-63.9-20.9175.2-64.6-30000113.1S351 E352 A353S351-N355 PolarHBondContact O-N 3.23Å; S351-N355 PolarHBondContact O-ND2 3.07Å; E352-N355 WeakPolarHBondContact O-CB 3.46Å; E352-N355 PolarHBondContact O-N 2.64Å; A353-N355 PolarHBondContact O-N 2.93Å
356Y80Confident89.6Confident158 Ų15858.2 Ų58.262%0.6232%0.321SS*.THydrogen-bonded Turntrans-105.910.7177.4-62.1-94.5000112.2W320 E352 A353 S354 I358W320-Y356 HydrophobicContact CH2-CD1 4.22Å; W320-Y356 AromaticContact CH2-CD2 3.23Å; W320-Y356 HydrophobicContact CH2-CD2 3.23Å; W320-Y356 HydrophobicContact CH2-CE1 4.06Å; W320-Y356 AromaticContact CH2-CE2 3.11Å; W320-Y356 HydrophobicContact CH2-CE2 3.11Å; W320-Y356 AromaticContact CH2-CG 3.83Å; W320-Y356 HydrophobicContact CH2-CG 3.83Å; W320-Y356 AromaticContact CH2-CZ 3.52Å; W320-Y356 HydrophobicContact CZ2-CD1 4.31Å; W320-Y356 AromaticContact CZ2-CD2 3.91Å; W320-Y356 HydrophobicContact CZ2-CD2 3.91Å; W320-Y356 HydrophobicContact CZ2-CE1 4.39Å; W320-Y356 HydrophobicContact CZ2-CE2 4.09Å; W320-Y356 HydrophobicContact CZ2-CG 4.05Å; W320-Y356 AromaticContact CZ3-CD2 3.78Å; W320-Y356 HydrophobicContact CZ3-CD2 3.78Å; W320-Y356 AromaticContact CZ3-CE2 3.67Å; W320-Y356 HydrophobicContact CZ3-CE2 3.67Å; E352-Y356 VanDerWaalsContact O-CD2 3.27Å; E352-Y356 WeakPolarHBondContact O-CD2 3.44Å; A353-Y356 CarbonylContact O-C 3.6Å; A353-Y356 PolarHBondContact O-N 3.46Å; S354-Y356 PolarHBondContact O-N 3.28Å; Y356-I358 PolarHBondContact O-N 3.28Å
357G81Confident89.4Confident73 Ų7358.8 Ų58.875%0.75333%0.325SS*.THydrogen-bonded Turntrans70.713.4-175.600000114A353 S354A353-G357 PolarHBondContact O-N 2.99Å; S354-G357 PolarHBondContact O-N 3.15Å
358I80.9Confident89.3Confident30 Ų3055.5 Ų55.515%0.15431%0.308CS..  trans-97.7139.2-178-64.3171.7000109.6W312 A353 S354 Y356 Q360W312-I358 HydrophobicContact CD2-CD1 4.23Å; W312-I358 HydrophobicContact CD2-CG2 4.25Å; W312-I358 HydrophobicContact CG-CD1 4.35Å; W312-I358 HydrophobicContact CG-CG2 3.89Å; W312-I358 VanDerWaalsContact NE1-CG2 3.29Å; A353-I358 CarbonylContact C-O 3.59Å; A353-I358 HydrophobicContact CB-CB 4.05Å; A353-I358 HydrophobicContact CB-CG2 4.06Å; A353-I358 VanDerWaalsContact CB-O 3.3Å; A353-I358 WeakPolarHBondContact CB-O 3.41Å; A353-I358 PolarHBondContact O-N 3.24Å; A353-I358 VanDerWaalsContact O-O 3.1Å; S354-I358 PolarHBondContact N-O 3.49Å; Y356-I358 PolarHBondContact O-N 3.28Å; I358-Q360 HydrophobicContact CG2-CB 4.4Å
359K83.6Confident89.3Confident155 Ų15557.5 Ų57.567%0.67433%0.326SS*.  trans-110.7103171.5-66.9179.2-177.6171.90109.4
360Q89.9Confident89.3Confident6 Ų662.3 Ų62.33%0.02835%0.347CS..  trans-130.8137.6173.5-171174.8-2500110.1S304 S311 W312 L349 I358S304-Q360 PolarHBondContact O-NE2 3.41Å; S311-Q360 PolarHBondContact OG-NE2 3.39Å; W312-Q360 VanDerWaalsContact CD1-OE1 3.29Å; L349-Q360 HydrophobicContact CD2-CG 4.07Å; L349-Q360 HydrophobicContact CG-CB 4.43Å; L349-Q360 HydrophobicContact CG-CG 4.44Å; I358-Q360 HydrophobicContact CG2-CB 4.4Å
361I94.1Very high89.5Confident63 Ų6360.1 Ų60.132%0.32333%0.334SS..  trans-144.6142.9170.9-166.8171.3000108.3T305 L306 N346 V350T305-I361 VanDerWaalsContact CA-O 3.29Å; T305-I361 WeakPolarHBondContact CA-O 3.45Å; L306-I361 HydrophobicContact CD1-CG2 3.78Å; L306-I361 HydrophobicContact CD2-CG2 4.24Å; L306-I361 HydrophobicContact CG-CG2 3.76Å; N346-I361 HydrophobicContact CB-CD1 4.32Å; N346-I361 HydrophobicContact CB-CG1 4.04Å; N346-I361 WeakPolarHBondContact OD1-CG1 3.43Å; V350-I361 HydrophobicContact CG2-CB 4.02Å; V350-I361 HydrophobicContact CG2-CD1 4.05Å; V350-I361 HydrophobicContact CG2-CG1 4.02Å
362S96Very high89.9Confident4 Ų456.8 Ų56.83%0.02831%0.311CS..  trans-84.9157.2177.478.30000111.9Y303 N346 P364Y303-S362 CarbonylContact O-C 3.05Å; Y303-S362 VanDerWaalsContact O-CA 3.26Å; Y303-S362 WeakPolarHBondContact O-CA 3.42Å; Y303-S362 VanDerWaalsContact O-CB 3.24Å; Y303-S362 WeakPolarHBondContact O-CB 3.43Å; N346-S362 PolarHBondContact ND2-O 3.21Å; N346-S362 WeakPolarHBondContact OD1-CA 3.31Å; N346-S362 WeakPolarHBondContact OD1-CB 3.47Å; N346-S362 PolarHBondContact OD1-N 3.06Å; N346-S362 PolarHBondContact OD1-O 3.33Å; N346-S362 PolarHBondContact OD1-OG 2.84Å; S362-P364 WeakPolarHBondContact O-CD 3.44Å
363Q95.5Very high90.4Very high64 Ų6456.8 Ų56.830%0.29931%0.309SS..EExtended strand (participates in β ladder)trans-115.795.9174.6-168.6-176.722.200110.7Y303 L306 V365Y303-Q363 PolarHBondContact N-O 3.17Å; Y303-Q363 PolarHBondContact O-N 3.01Å; L306-Q363 HydrophobicContact CD2-CB 4.14Å; L306-Q363 HydrophobicContact CD2-CG 4.48Å; Q363-V365 HydrophobicContact CG-CG2 4.36Å
364P95.7Very high91.1Very high47 Ų4756.9 Ų56.931%0.30531%0.31SS..EExtended strand (participates in β ladder)trans-72.2138.2163.9-18.633.4000111.4I301 V302 L342 S362I301-P364 CarbonylContact O-C 3.51Å; I301-P364 WeakPolarHBondContact O-CA 3.44Å; V302-P364 HydrophobicContact CG1-CG 4.38Å; L342-P364 HydrophobicContact CB-CG 3.91Å; L342-P364 HydrophobicContact CD1-CB 3.92Å; L342-P364 HydrophobicContact CD1-CG 4.02Å; L342-P364 HydrophobicContact CG-CG 4.47Å; S362-P364 WeakPolarHBondContact O-CD 3.44Å
365V93.7Very high91.6Very high25 Ų2555.2 Ų55.215%0.15230%0.298CS..EExtended strand (participates in β ladder)trans-129.7134.2169.2-174.40000107.7W290 L291 V300 I301 Y303 Q363W290-V365 HydrophobicContact CH2-CB 3.95Å; W290-V365 HydrophobicContact CH2-CG1 3.4Å; W290-V365 HydrophobicContact CZ2-CB 4.43Å; W290-V365 HydrophobicContact CZ2-CG1 4.03Å; W290-V365 HydrophobicContact CZ3-CG1 4.27Å; L291-V365 HydrophobicContact CD1-CG1 3.91Å; L291-V365 HydrophobicContact CD2-CG1 3.78Å; L291-V365 HydrophobicContact CG-CG1 4.17Å; V300-V365 WeakPolarHBondContact CA-O 3.37Å; I301-V365 PolarHBondContact N-O 3.23Å; I301-V365 PolarHBondContact O-N 3.06Å; Y303-V365 HydrophobicContact CE2-CG2 4.39Å; Q363-V365 HydrophobicContact CG-CG2 4.36Å
366T94.3Very high92Very high58 Ų5850.3 Ų50.336%0.35627%0.273SS..EExtended strand (participates in β ladder)trans-136.8143.1-169.8-174.20000113.7C299 L339 L368C299-T366 WeakPolarHBondContact O-CA 3.48Å; C299-T366 PolarHBondContact O-OG1 3.45Å; L339-T366 HydrophobicContact CD1-CG2 4.17Å; L339-T366 HydrophobicContact CD2-CG2 4.18Å; T366-L368 WeakPolarHBondContact OG1-CB 3.3Å; T366-L368 VanDerWaalsContact OG1-CG 3.32Å; T366-L368 WeakPolarHBondContact OG1-CG 3.35Å; T366-L368 PolarHBondContact OG1-N 3.31Å; T366-L368 VanDerWaalsContact OG1-N 3.13Å
367T93.9Very high92Very high37 Ų3750.3 Ų50.323%0.22728%0.283CS..  trans-125.226.7166.463.20000111.1M296 D298 C299M296-T367 VanDerWaalsContact O-CB 3.29Å; M296-T367 WeakPolarHBondContact O-CB 3.47Å; M296-T367 WeakPolarHBondContact O-CG2 3.26Å; M296-T367 PolarHBondContact O-OG1 3.09Å; D298-T367 PolarHBondContact N-O 3.38Å; C299-T367 PolarHBondContact N-OG1 3.33Å; C299-T367 PolarHBondContact O-N 2.87Å
368L95Very high91.3Very high32 Ų3254.8 Ų54.817%0.16828%0.281CS..  trans-63.7136.6176.5-68-178.2000110.8Y129 V300 I338 L339 T366Y129-L368 HydrophobicContact CE2-CD2 3.86Å; V300-L368 HydrophobicContact CG2-CD1 3.41Å; V300-L368 VanDerWaalsContact CG2-CD1 3.41Å; V300-L368 HydrophobicContact CG2-CD2 3.9Å; V300-L368 HydrophobicContact CG2-CG 3.51Å; I338-L368 HydrophobicContact CG2-CD1 3.72Å; L339-L368 HydrophobicContact CG-CD1 4.43Å; T366-L368 WeakPolarHBondContact OG1-CB 3.3Å; T366-L368 VanDerWaalsContact OG1-CG 3.32Å; T366-L368 WeakPolarHBondContact OG1-CG 3.35Å; T366-L368 PolarHBondContact OG1-N 3.31Å; T366-L368 VanDerWaalsContact OG1-N 3.13Å
369T94.3Very high89.8Confident98 Ų9863.2 Ų63.260%0.60134%0.335SS*.SBendtrans-99.7-11.517562.50000112.5Y129 D298Y129-T369 PolarHBondContact OH-N 2.9Å; Y129-T369 PolarHBondContact OH-OG1 2.88Å; D298-T369 PolarHBondContact OD1-OG1 3.43Å
370K95.7Very high90.1Very high101 Ų10158.6 Ų58.644%0.43932%0.318SS..SBendtrans-143.8162.3178.6-59.6178.2-175.7178.20110.7I127 Y129 Y372I127-K370 WeakPolarHBondContact O-CB 3.27Å; Y129-K370 HydrophobicContact CD1-CB 4.35Å; Y129-K370 HydrophobicContact CD1-CD 4.16Å; Y129-K370 HydrophobicContact CD2-CB 3.73Å; Y129-K370 HydrophobicContact CE1-CB 4.23Å; Y129-K370 HydrophobicContact CE1-CD 4.28Å; Y129-K370 HydrophobicContact CE1-CG 4.4Å; Y129-K370 HydrophobicContact CE2-CB 3.6Å; Y129-K370 WeakPolarHBondContact CE2-O 3.48Å; Y129-K370 HydrophobicContact CG-CB 4.11Å; Y129-K370 HydrophobicContact CG-CD 4.48Å; Y129-K370 PolarHBondContact OH-N 2.77Å; K370-Y372 PolarHBondContact O-N 3.46Å
371P95.9Very high90.1Very high14 Ų1461.4 Ų61.49%0.09133%0.333CS..  trans-59.3127.3167.7-23.333.1000111.4L126 P128 Y129 H337 Y373L126-P371 HydrophobicContact CB-CG 3.62Å; L126-P371 HydrophobicContact CD1-CG 4.09Å; P128-P371 VanDerWaalsContact CA-O 3.24Å; P128-P371 WeakPolarHBondContact CA-O 3.48Å; P128-P371 HydrophobicContact CB-CB 4.27Å; P128-P371 WeakPolarHBondContact CB-O 3.22Å; Y129-P371 WeakPolarHBondContact CD2-O 3.25Å; Y129-P371 PolarHBondContact N-O 3.44Å; H337-P371 HydrophobicContact CB-CB 4.07Å; P371-Y373 HydrophobicContact CB-CD2 4.38Å; P371-Y373 HydrophobicContact CB-CE2 3.78Å
372Y97.6Very high89.9Confident0 Ų061.3 Ų61.30%033%0.333CS..  trans-102.3114.4174.9172.4-144.9000110.3V131 Y175 A206 P249 L251 H337 I338 K370 L374V131-Y372 HydrophobicContact CG2-CD2 4.19Å; V131-Y372 HydrophobicContact CG2-CE2 4.08Å; Y175-Y372 PolarHBondContact OH-OH 2.93Å; A206-Y372 HydrophobicContact CB-CE2 4.31Å; P249-Y372 HydrophobicContact CB-CD1 3.85Å; P249-Y372 HydrophobicContact CB-CD2 3.45Å; P249-Y372 VanDerWaalsContact CB-CD2 3.45Å; P249-Y372 HydrophobicContact CB-CE1 4.14Å; P249-Y372 HydrophobicContact CB-CE2 3.76Å; P249-Y372 HydrophobicContact CB-CG 3.5Å; P249-Y372 HydrophobicContact CG-CD2 3.5Å; P249-Y372 VanDerWaalsContact CG-CD2 3.5Å; P249-Y372 HydrophobicContact CG-CE2 3.62Å; P249-Y372 HydrophobicContact CG-CG 4.11Å; L251-Y372 HydrophobicContact CB-CE1 4.17Å; H337-Y372 CarbonylContact C-O 3.51Å; H337-Y372 WeakPolarHBondContact CA-O 3.22Å; H337-Y372 WeakPolarHBondContact CB-O 3.38Å; I338-Y372 HydrophobicContact CB-CD1 4.02Å; I338-Y372 HydrophobicContact CG1-CD1 4.39Å; I338-Y372 HydrophobicContact CG2-CD1 3.84Å; I338-Y372 HydrophobicContact CG2-CG 4.3Å; I338-Y372 PolarHBondContact N-O 3.47Å; K370-Y372 PolarHBondContact O-N 3.46Å; Y372-L374 HydrophobicContact CE1-CD2 4.23Å
373Y96.9Very high89.6Confident32 Ų3264.6 Ų64.613%0.12535%0.351CS..  trans-102.9143.2168.1-64.2-97.2000108.8H124 P128 V131 R335 L336 H337 P371 S375H124-Y373 PolarHBondContact CD2-OH 3.34Å; P128-Y373 HydrophobicContact CB-CD2 3.66Å; P128-Y373 HydrophobicContact CB-CE2 3.78Å; P128-Y373 HydrophobicContact CG-CD2 4.44Å; P128-Y373 HydrophobicContact CG-CE2 4.43Å; V131-Y373 WeakPolarHBondContact CG2-O 3.48Å; R335-Y373 WeakPolarHBondContact O-CE1 3.45Å; L336-Y373 VanDerWaalsContact C-CE1 3.43Å; L336-Y373 WeakPolarHBondContact O-CD1 3.42Å; H337-Y373 HydrophobicContact CB-CD1 4.33Å; H337-Y373 HydrophobicContact CB-CD2 4.23Å; H337-Y373 HydrophobicContact CB-CE1 4.04Å; H337-Y373 HydrophobicContact CB-CE2 3.92Å; H337-Y373 HydrophobicContact CB-CG 4.43Å; P371-Y373 HydrophobicContact CB-CD2 4.38Å; P371-Y373 HydrophobicContact CB-CE2 3.78Å; Y373-S375 PolarHBondContact O-N 3.2Å
374L96.8Very high89.2Confident3 Ų364.7 Ų64.72%0.01636%0.355CS..SBendtrans-62.6-24.1179.1-63.3-177.1000112.6V131 F170 F173 Y175 T329 Y372V131-L374 WeakPolarHBondContact CG1-O 3.44Å; F170-L374 HydrophobicContact CE1-CD2 4.16Å; F173-L374 HydrophobicContact CD1-CB 3.67Å; F173-L374 HydrophobicContact CD1-CD1 4.37Å; F173-L374 HydrophobicContact CD2-CD1 4.12Å; F173-L374 HydrophobicContact CE1-CB 4.03Å; F173-L374 HydrophobicContact CE1-CD1 4.39Å; F173-L374 HydrophobicContact CE2-CD1 4.17Å; F173-L374 HydrophobicContact CG-CB 4.08Å; F173-L374 HydrophobicContact CG-CD1 4.24Å; F173-L374 HydrophobicContact CZ-CD1 4.31Å; Y175-L374 HydrophobicContact CE2-CB 4.47Å; Y175-L374 WeakPolarHBondContact CE2-O 3.5Å; Y175-L374 PolarHBondContact OH-O 3.26Å; Y175-L374 VanDerWaalsContact OH-O 3.06Å; T329-L374 HydrophobicContact CG2-CD1 3.37Å; Y372-L374 HydrophobicContact CE1-CD2 4.23Å
375S93.4Very high88.8Confident33 Ų3365.9 Ų65.923%0.23136%0.358CS..  trans-147.7144.6168.1-178.50000108.6R136 Y373R136-S375 PolarHBondContact NE-OG 3.15Å; R136-S375 PolarHBondContact NH2-OG 2.95Å; Y373-S375 PolarHBondContact O-N 3.2Å
376T88.7Confident88.4Confident23 Ų2368.8 Ų68.814%0.14137%0.373CS..  trans-116.1159.9166.863.20000109.6P128 Y129 V131 T132P128-T376 HydrophobicContact CG-CG2 4.45Å; Y129-T376 VanDerWaalsContact O-CG2 3.3Å; Y129-T376 WeakPolarHBondContact O-CG2 3.48Å; V131-T376 HydrophobicContact CB-CG2 4.39Å; V131-T376 PolarHBondContact N-OG1 3.47Å; V131-T376 PolarHBondContact O-N 3.23Å; T132-T376 WeakPolarHBondContact CG2-OG1 3.49Å
377L79.3Confident88Confident158 Ų15869.6 Ų69.683%0.82737%0.374SS*.  trans-75.9147170.5-64.2174.2000109.4T132 T379T132-L377 WeakPolarHBondContact CG2-O 3.47Å; L377-T379 PolarHBondContact O-N 3.22Å
378K65.7Low87.5Confident167 Ų16772.3 Ų72.373%0.72639%0.386SS*.  trans-68.4114.6162.8-74.7-175.9177.5178.70106.1T132T132-K378 HydrophobicContact CG2-CG 3.9Å; T132-K378 WeakPolarHBondContact O-CE 3.37Å
379T50.5Low86.8Confident207 Ų20776 Ų76100%1.2741%0.406SS*.  trans-63.70168.151.20000110.4L377L377-T379 PolarHBondContact O-N 3.22Å

Retrieved 379 of 379 residues in 78.4 ms (Link to these results)

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