A0A5K4FEL8_SCHMA Loading...

EGF-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FEL8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 512 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
1M63Low71.2Confident40 Ų4064.2 Ų64.220%0.19733%0.327CS..  0-56.10-74.9-174.578.700112.1E3 T4 G5 F6 I10 L11 N106M1-E3 VanDerWaalsContact C-N 3.3Å; M1-E3 PolarHBondContact O-N 3.28Å; M1-T4 WeakPolarHBondContact CA-OG1 3.49Å; M1-T4 PolarHBondContact N-OG1 3.41Å; M1-T4 PolarHBondContact O-N 3.42Å; M1-G5 CarbonylContact O-C 3.6Å; M1-G5 VanDerWaalsContact O-CA 3.26Å; M1-G5 WeakPolarHBondContact O-CA 3.43Å; M1-G5 PolarHBondContact O-N 3.42Å; M1-F6 HydrophobicContact CE-CD1 3.3Å; M1-F6 HydrophobicContact CE-CE1 3.52Å; M1-I10 HydrophobicContact CG-CG2 3.73Å; M1-I10 HydrophobicContact SD-CG2 4.31Å; M1-L11 HydrophobicContact CE-CD2 3.51Å; M1-L11 HydrophobicContact CE-CG 4.44Å; M1-N106 HydrophobicContact SD-CB 3.76Å; M1-N106 PolarHBondContact SD-OD1 3.46Å
2L65.5Low70.6Confident98 Ų9864.8 Ų64.851%0.51333%0.332SS..THydrogen-bonded Turntrans-61.4-36.2177-68.3179000113.4V130L2-V130 WeakPolarHBondContact CD2-O 3.22Å
3E71.2Confident70.3Confident187 Ų18767.2 Ų67.287%0.87436%0.358SS*.THydrogen-bonded Turntrans-81.6-36.2178.1-65.3174.2173.700113.2M1M1-E3 VanDerWaalsContact C-N 3.3Å; M1-E3 PolarHBondContact O-N 3.28Å
4T74.9Confident70.5Confident74 Ų7465.6 Ų65.645%0.45435%0.352SS..THydrogen-bonded Turntrans-99.3-7.6-170.157.70000113.9M1 I10M1-T4 WeakPolarHBondContact CA-OG1 3.49Å; M1-T4 PolarHBondContact N-OG1 3.41Å; M1-T4 PolarHBondContact O-N 3.42Å; T4-I10 VanDerWaalsContact OG1-CD1 3.27Å; T4-I10 WeakPolarHBondContact OG1-CD1 3.49Å
5G82.3Confident70.9Confident0 Ų061.2 Ų61.20%033%0.328CS..  trans71.1-177.5-169.300000115.8M1 T7M1-G5 CarbonylContact O-C 3.6Å; M1-G5 VanDerWaalsContact O-CA 3.26Å; M1-G5 WeakPolarHBondContact O-CA 3.43Å; M1-G5 PolarHBondContact O-N 3.42Å; G5-T7 PolarHBondContact O-N 3.14Å
6F85.2Confident71.1Confident0 Ų059.2 Ų59.20%032%0.32CS..BIsolated β-bridgetrans-89.383.4178.6-60.5-68.8000110.3M1 L11 L110 C113 P132 I151 F152 T153M1-F6 HydrophobicContact CE-CD1 3.3Å; M1-F6 HydrophobicContact CE-CE1 3.52Å; F6-L11 HydrophobicContact CB-CD1 4.15Å; F6-L110 HydrophobicContact CD1-CD1 3.51Å; F6-L110 HydrophobicContact CE1-CB 4.01Å; F6-L110 HydrophobicContact CE1-CD1 3.72Å; F6-L110 HydrophobicContact CG-CD1 3.96Å; F6-L110 HydrophobicContact CZ-CD1 4.3Å; F6-C113 HydrophobicContact CE2-CB 3.83Å; F6-C113 HydrophobicContact CZ-CB 3.91Å; F6-P132 HydrophobicContact CD2-CG 3.86Å; F6-P132 HydrophobicContact CE2-CG 3.51Å; F6-P132 HydrophobicContact CZ-CG 3.9Å; F6-I151 HydrophobicContact CD2-CB 4.3Å; F6-I151 HydrophobicContact CD2-CD1 4.37Å; F6-I151 WeakPolarHBondContact CD2-O 3.47Å; F6-F152 HydrophobicContact CB-CD1 3.78Å; F6-F152 HydrophobicContact CB-CE1 4.36Å; F6-F152 VanDerWaalsContact O-CA 3.29Å; F6-F152 WeakPolarHBondContact O-CA 3.48Å; F6-F152 WeakPolarHBondContact O-CB 3.4Å; F6-F152 WeakPolarHBondContact O-CD1 3.33Å; F6-T153 PolarHBondContact O-N 3.43Å; F6-T153 VanDerWaalsContact O-N 3.1Å
7T76.9Confident70.9Confident31 Ų3158.8 Ų58.819%0.1932%0.317CS..  trans-90.6149.2177.473.70000110.7G5 I9 I10 L11 T153G5-T7 PolarHBondContact O-N 3.14Å; T7-I9 PolarHBondContact O-N 3.21Å; T7-I10 HydrophobicContact CG2-CD1 4.08Å; T7-I10 PolarHBondContact O-N 3.14Å; T7-I10 VanDerWaalsContact OG1-CB 3.3Å; T7-I10 WeakPolarHBondContact OG1-CB 3.49Å; T7-I10 WeakPolarHBondContact OG1-CD1 3.32Å; T7-I10 WeakPolarHBondContact OG1-CG1 3.34Å; T7-I10 PolarHBondContact OG1-N 3.43Å; T7-I10 VanDerWaalsContact OG1-N 3.08Å; T7-L11 VanDerWaalsContact O-CB 3.3Å; T7-L11 WeakPolarHBondContact O-CB 3.46Å; T7-L11 WeakPolarHBondContact O-CD1 3.34Å; T7-L11 VanDerWaalsContact O-CG 3.25Å; T7-L11 WeakPolarHBondContact O-CG 3.38Å; T7-L11 PolarHBondContact O-N 3.44Å; T7-T153 HydrophobicContact CG2-CG2 3.59Å
8H66.7Low70.5Confident89 Ų8964.3 Ų64.341%0.41234%0.338SS..Hα-helixtrans-56.8-34175-96-71.9000112.8N12 H154H8-N12 VanDerWaalsContact O-CB 3.24Å; H8-N12 WeakPolarHBondContact O-CB 3.34Å; H8-N12 PolarHBondContact O-N 3.15Å; H8-H154 AromaticContact CD2-CE1 3.44Å; H8-H154 PolarHBondContact CD2-CE1 3.09Å; H8-H154 VanDerWaalsContact CD2-CE1 3.44Å; H8-H154 AromaticContact NE2-CE1 3.75Å
9I62.5Low70Confident143 Ų14362.2 Ų62.273%0.73333%0.333SS*.Hα-helixtrans-71.6-48.4-179.2-61.2170.2000111.1T7 L11 N12 S13T7-I9 PolarHBondContact O-N 3.21Å; I9-L11 VanDerWaalsContact C-N 3.27Å; I9-L11 PolarHBondContact O-N 3.49Å; I9-N12 PolarHBondContact O-N 3.41Å; I9-S13 PolarHBondContact O-N 3.17Å; I9-S13 PolarHBondContact O-OG 3.04Å
10I66.9Low69.2Low44 Ų4468 Ų6823%0.22636%0.355CS..Hα-helixtrans-63.2-41.4177.9-68.2169.2000109.5M1 T4 T7 S13 T14M1-I10 HydrophobicContact CG-CG2 3.73Å; M1-I10 HydrophobicContact SD-CG2 4.31Å; T4-I10 VanDerWaalsContact OG1-CD1 3.27Å; T4-I10 WeakPolarHBondContact OG1-CD1 3.49Å; T7-I10 HydrophobicContact CG2-CD1 4.08Å; T7-I10 PolarHBondContact O-N 3.14Å; T7-I10 VanDerWaalsContact OG1-CB 3.3Å; T7-I10 WeakPolarHBondContact OG1-CB 3.49Å; T7-I10 WeakPolarHBondContact OG1-CD1 3.32Å; T7-I10 WeakPolarHBondContact OG1-CG1 3.34Å; T7-I10 PolarHBondContact OG1-N 3.43Å; T7-I10 VanDerWaalsContact OG1-N 3.08Å; I10-S13 PolarHBondContact O-OG 3.15Å; I10-T14 VanDerWaalsContact O-CB 3.28Å; I10-T14 WeakPolarHBondContact O-CB 3.36Å; I10-T14 PolarHBondContact O-N 3.46Å; I10-T14 PolarHBondContact O-OG1 3.27Å
11L67.7Low68.6Low0 Ų070.1 Ų70.10%037%0.366CS..Hα-helixtrans-68.1-51.4178.8-70.2168.6000111M1 F6 T7 I9 S13 T14 L15 I26 L110 F152M1-L11 HydrophobicContact CE-CD2 3.51Å; M1-L11 HydrophobicContact CE-CG 4.44Å; F6-L11 HydrophobicContact CB-CD1 4.15Å; T7-L11 VanDerWaalsContact O-CB 3.3Å; T7-L11 WeakPolarHBondContact O-CB 3.46Å; T7-L11 WeakPolarHBondContact O-CD1 3.34Å; T7-L11 VanDerWaalsContact O-CG 3.25Å; T7-L11 WeakPolarHBondContact O-CG 3.38Å; T7-L11 PolarHBondContact O-N 3.44Å; I9-L11 VanDerWaalsContact C-N 3.27Å; I9-L11 PolarHBondContact O-N 3.49Å; L11-S13 PolarHBondContact O-N 2.94Å; L11-S13 VanDerWaalsContact O-N 3.07Å; L11-T14 CarbonylContact O-C 3.58Å; L11-T14 PolarHBondContact O-N 3.09Å; L11-L15 CarbonylContact C-O 3.5Å; L11-L15 HydrophobicContact CD2-CB 4.49Å; L11-L15 HydrophobicContact CD2-CD1 3.84Å; L11-L15 HydrophobicContact CD2-CG 4.44Å; L11-L15 CarbonylContact O-C 3.49Å; L11-L15 VanDerWaalsContact O-C 3.31Å; L11-L15 WeakPolarHBondContact O-CA 3.28Å; L11-L15 PolarHBondContact O-N 2.84Å; L11-I26 HydrophobicContact CB-CD1 3.66Å; L11-I26 HydrophobicContact CD1-CD1 4.21Å; L11-I26 HydrophobicContact CG-CD1 4.39Å; L11-L110 HydrophobicContact CD2-CD2 4.41Å; L11-F152 HydrophobicContact CD1-CD1 3.56Å; L11-F152 HydrophobicContact CD1-CE1 3.26Å; L11-F152 HydrophobicContact CD1-CZ 4.44Å
12N64.8Low69Low72 Ų7271.8 Ų71.839%0.38537%0.372SS..Hα-helixtrans-58-31.8-178.4-165.635.5000113.5H8 I9H8-N12 VanDerWaalsContact O-CB 3.24Å; H8-N12 WeakPolarHBondContact O-CB 3.34Å; H8-N12 PolarHBondContact O-N 3.15Å; I9-N12 PolarHBondContact O-N 3.41Å
13S66.7Low69.9Low96 Ų9667.8 Ų67.867%0.67135%0.35SS*.Hα-helixtrans-77.4-22175.252.70000114.4I9 I10 L11I9-S13 PolarHBondContact O-N 3.17Å; I9-S13 PolarHBondContact O-OG 3.04Å; I10-S13 PolarHBondContact O-OG 3.15Å; L11-S13 PolarHBondContact O-N 2.94Å; L11-S13 VanDerWaalsContact O-N 3.07Å
14T72.8Confident70.6Confident44 Ų4460.4 Ų60.427%0.2732%0.315SS..Hα-helixtrans-114.6-40.5-172.2-430000113.6I10 L11 N103 N106I10-T14 VanDerWaalsContact O-CB 3.28Å; I10-T14 WeakPolarHBondContact O-CB 3.36Å; I10-T14 PolarHBondContact O-N 3.46Å; I10-T14 PolarHBondContact O-OG1 3.27Å; L11-T14 CarbonylContact O-C 3.58Å; L11-T14 PolarHBondContact O-N 3.09Å; T14-N103 PolarHBondContact O-OD1 3.45Å; T14-N106 WeakPolarHBondContact CG2-ND2 3.03Å
15L76.6Confident71.1Confident0 Ų056.9 Ų56.90%029%0.294CS..SBendtrans-127.1117.7179.3-59.3-179.6000109.3L11 L17 F24 I26 L29 N106 L110L11-L15 CarbonylContact C-O 3.5Å; L11-L15 HydrophobicContact CD2-CB 4.49Å; L11-L15 HydrophobicContact CD2-CD1 3.84Å; L11-L15 HydrophobicContact CD2-CG 4.44Å; L11-L15 CarbonylContact O-C 3.49Å; L11-L15 VanDerWaalsContact O-C 3.31Å; L11-L15 WeakPolarHBondContact O-CA 3.28Å; L11-L15 PolarHBondContact O-N 2.84Å; L15-L17 PolarHBondContact O-N 3.41Å; L15-F24 HydrophobicContact CD2-CB 4.18Å; L15-F24 HydrophobicContact CD2-CD2 3.88Å; L15-F24 HydrophobicContact CD2-CG 4.48Å; L15-I26 HydrophobicContact CB-CG1 4.2Å; L15-L29 HydrophobicContact CD1-CD1 4Å; L15-N106 HydrophobicContact CD1-CB 4.07Å; L15-N106 HydrophobicContact CD2-CB 4.18Å; L15-N106 HydrophobicContact CG-CB 4.26Å; L15-L110 HydrophobicContact CD1-CD2 4.06Å
16P74.5Confident71Confident29 Ų2957.4 Ų57.419%0.18830%0.297CS..  trans-62.6141.5-178.727-33.4000111K22 F24 S25 I26P16-K22 HydrophobicContact CG-CD 3.83Å; P16-F24 HydrophobicContact CG-CD2 4.36Å; P16-F24 HydrophobicContact CG-CE2 4.04Å; P16-S25 CarbonylContact O-C 3.5Å; P16-S25 WeakPolarHBondContact O-CA 3.39Å; P16-S25 WeakPolarHBondContact O-CB 3.31Å; P16-I26 PolarHBondContact O-N 3.42Å
17L67.8Low70.7Confident52 Ų5261.2 Ų61.227%0.27231%0.314SS..SBendtrans-60-47.8176.3-78.1158.6000111.5L15 I26 E27L15-L17 PolarHBondContact O-N 3.41Å; L17-I26 HydrophobicContact CD2-CD1 3.7Å; L17-I26 HydrophobicContact CG-CD1 4.17Å; L17-E27 WeakPolarHBondContact O-CB 3.26Å; L17-E27 PolarHBondContact O-N 3.45Å
18F62.7Low70.9Confident159 Ų15960.8 Ų60.870%0.69731%0.311SS*.  trans-118.8150.8-176.4-54.9-70000111.9
19G60.6Low71.9Confident23 Ų2356.8 Ų56.824%0.23729%0.293CS..  trans149.297.5169.700000112.5L21 K22 S25 E27 N28G19-L21 PolarHBondContact O-N 3.01Å; G19-K22 PolarHBondContact O-N 3.46Å; G19-K22 VanDerWaalsContact O-O 3.13Å; G19-S25 PolarHBondContact O-OG 3Å; G19-E27 PolarHBondContact N-OE2 3.17Å; G19-N28 PolarHBondContact O-ND2 2.98Å
20K54.7Low72.8Confident178 Ų17851.4 Ų51.477%0.77427%0.266SS*.THydrogen-bonded Turntrans-57.3-35.3179.3-70-175.2178.81790113.2N28K20-N28 PolarHBondContact O-ND2 3.38Å
21L56.9Low73.6Confident114 Ų11451.8 Ų51.860%0.59727%0.269SS*.THydrogen-bonded Turntrans-79.5-15.1-179.8-63.1173.5000113.7G19 I304G19-L21 PolarHBondContact O-N 3.01Å; L21-I304 HydrophobicContact CB-CG2 4.27Å; L21-I304 HydrophobicContact CD1-CG1 4.19Å; L21-I304 HydrophobicContact CD1-CG2 4.12Å
22K71.6Confident74Confident75 Ų7555.7 Ų55.733%0.32629%0.292SS..  trans-98.7108178.4-65.5-175.6179.9-179.70108.6P16 G19 F24 S25 N28P16-K22 HydrophobicContact CG-CD 3.83Å; G19-K22 PolarHBondContact O-N 3.46Å; G19-K22 VanDerWaalsContact O-O 3.13Å; K22-F24 HydrophobicContact CB-CE1 4.26Å; K22-F24 HydrophobicContact CB-CZ 4.33Å; K22-F24 HydrophobicContact CD-CZ 4.17Å; K22-F24 HydrophobicContact CG-CZ 4.42Å; K22-F24 PolarHBondContact O-N 2.99Å; K22-F24 VanDerWaalsContact O-N 3.13Å; K22-S25 PolarHBondContact O-N 3.5Å; K22-S25 VanDerWaalsContact O-N 3.12Å; K22-S25 PolarHBondContact O-OG 3.31Å; K22-N28 PolarHBondContact O-ND2 3.34Å
23W83.6Confident74.6Confident14 Ų1458.5 Ų58.55%0.05331%0.307CS..THydrogen-bonded Turntrans-61.7-22.2-177.557.9-95.6000113.7L69 I70 P71 N74 D77 I81 F104 A107W23-L69 HydrophobicContact CE3-CB 4.16Å; W23-L69 HydrophobicContact CZ3-CB 4.17Å; W23-I70 HydrophobicContact CH2-CG1 4.38Å; W23-I70 HydrophobicContact CZ2-CG1 4.38Å; W23-I70 HydrophobicContact CZ3-CG1 4.44Å; W23-P71 VanDerWaalsContact CB-CD 3.42Å; W23-P71 HydrophobicContact CB-CG 3.82Å; W23-N74 VanDerWaalsContact CD1-ND2 3.31Å; W23-D77 PolarHBondContact NE1-OD2 3.09Å; W23-I81 HydrophobicContact CH2-CD1 4.11Å; W23-I81 HydrophobicContact CZ2-CD1 4.06Å; W23-F104 HydrophobicContact CH2-CB 3.94Å; W23-F104 HydrophobicContact CH2-CD2 4.32Å; W23-A107 HydrophobicContact CZ3-CB 3.95Å
24F86Confident75Confident31 Ų3157.8 Ų57.814%0.13629%0.292CS..THydrogen-bonded Turntrans-96.612178.960.4-89.6000114.3L15 P16 K22 L29 N103 A107L15-F24 HydrophobicContact CD2-CB 4.18Å; L15-F24 HydrophobicContact CD2-CD2 3.88Å; L15-F24 HydrophobicContact CD2-CG 4.48Å; P16-F24 HydrophobicContact CG-CD2 4.36Å; P16-F24 HydrophobicContact CG-CE2 4.04Å; K22-F24 HydrophobicContact CB-CE1 4.26Å; K22-F24 HydrophobicContact CB-CZ 4.33Å; K22-F24 HydrophobicContact CD-CZ 4.17Å; K22-F24 HydrophobicContact CG-CZ 4.42Å; K22-F24 PolarHBondContact O-N 2.99Å; K22-F24 VanDerWaalsContact O-N 3.13Å; F24-L29 VanDerWaalsContact O-CD1 3.27Å; F24-L29 WeakPolarHBondContact O-CD1 3.31Å; F24-N103 HydrophobicContact CD2-CB 4.23Å; F24-N103 HydrophobicContact CG-CB 4.31Å; F24-A107 HydrophobicContact CB-CB 4.07Å
25S84.7Confident75Confident0 Ų056.3 Ų56.30%028%0.283CS..SBendtrans-69.5147.4172.760.50000111.4P16 G19 K22 E27 N28 L29P16-S25 CarbonylContact O-C 3.5Å; P16-S25 WeakPolarHBondContact O-CA 3.39Å; P16-S25 WeakPolarHBondContact O-CB 3.31Å; G19-S25 PolarHBondContact O-OG 3Å; K22-S25 PolarHBondContact O-N 3.5Å; K22-S25 VanDerWaalsContact O-N 3.12Å; K22-S25 PolarHBondContact O-OG 3.31Å; S25-E27 VanDerWaalsContact C-N 3.29Å; S25-E27 PolarHBondContact O-N 3.48Å; S25-N28 WeakPolarHBondContact O-CB 3.33Å; S25-N28 PolarHBondContact O-N 2.94Å; S25-N28 WeakPolarHBondContact OG-CB 3.49Å; S25-N28 PolarHBondContact OG-ND2 2.97Å; S25-L29 VanDerWaalsContact O-CG 3.26Å; S25-L29 WeakPolarHBondContact O-CG 3.34Å; S25-L29 PolarHBondContact O-N 3.17Å
26I80.6Confident74.8Confident12 Ų1261.9 Ų61.96%0.06231%0.308CS..Hα-helixtrans-58.3-45-177.9-59.6168.6000110L11 L15 P16 L17 N28 L29 T30 L110 F152L11-I26 HydrophobicContact CB-CD1 3.66Å; L11-I26 HydrophobicContact CD1-CD1 4.21Å; L11-I26 HydrophobicContact CG-CD1 4.39Å; L15-I26 HydrophobicContact CB-CG1 4.2Å; P16-I26 PolarHBondContact O-N 3.42Å; L17-I26 HydrophobicContact CD2-CD1 3.7Å; L17-I26 HydrophobicContact CG-CD1 4.17Å; I26-N28 PolarHBondContact O-N 3.08Å; I26-L29 PolarHBondContact O-N 3.47Å; I26-L29 VanDerWaalsContact O-N 3.08Å; I26-T30 HydrophobicContact CG2-CG2 4.1Å; I26-T30 PolarHBondContact O-N 3.36Å; I26-T30 PolarHBondContact O-OG1 2.96Å; I26-L110 HydrophobicContact CG1-CD2 4.41Å; I26-F152 HydrophobicContact CG2-CZ 4.07Å
27E78.7Confident74.8Confident80 Ų8066.6 Ų66.637%0.37433%0.326SS..Hα-helixtrans-48.3-43.8172.5-176.8-167.6177.400112.8L17 G19 S25 N31L17-E27 WeakPolarHBondContact O-CB 3.26Å; L17-E27 PolarHBondContact O-N 3.45Å; G19-E27 PolarHBondContact N-OE2 3.17Å; S25-E27 VanDerWaalsContact C-N 3.29Å; S25-E27 PolarHBondContact O-N 3.48Å; E27-N31 WeakPolarHBondContact O-CB 3.31Å
28N82.4Confident75.4Confident21 Ų2164.1 Ų64.111%0.11231%0.313CS..Hα-helixtrans-75.6-38.4179.5-92-39.3000112.9G19 K20 K22 S25 I26 N31 K34G19-N28 PolarHBondContact O-ND2 2.98Å; K20-N28 PolarHBondContact O-ND2 3.38Å; K22-N28 PolarHBondContact O-ND2 3.34Å; S25-N28 WeakPolarHBondContact O-CB 3.33Å; S25-N28 PolarHBondContact O-N 2.94Å; S25-N28 WeakPolarHBondContact OG-CB 3.49Å; S25-N28 PolarHBondContact OG-ND2 2.97Å; I26-N28 PolarHBondContact O-N 3.08Å; N28-N31 WeakPolarHBondContact O-CB 3.5Å; N28-K34 PolarHBondContact OD1-NZ 2.92Å
29L87.1Confident75.9Confident6 Ų660.8 Ų60.83%0.03130%0.301CS..Hα-helixtrans-76.6-30.5-174.4-65.6173.9000112.9L15 F24 S25 I26 L69 A107 L110 T111L15-L29 HydrophobicContact CD1-CD1 4Å; F24-L29 VanDerWaalsContact O-CD1 3.27Å; F24-L29 WeakPolarHBondContact O-CD1 3.31Å; S25-L29 VanDerWaalsContact O-CG 3.26Å; S25-L29 WeakPolarHBondContact O-CG 3.34Å; S25-L29 PolarHBondContact O-N 3.17Å; I26-L29 PolarHBondContact O-N 3.47Å; I26-L29 VanDerWaalsContact O-N 3.08Å; L29-L69 HydrophobicContact CD2-CD2 3.59Å; L29-A107 HydrophobicContact CD1-CB 3.73Å; L29-A107 HydrophobicContact CD2-CB 3.8Å; L29-A107 HydrophobicContact CG-CB 4.44Å; L29-L110 HydrophobicContact CB-CD2 4.12Å; L29-L110 HydrophobicContact CD1-CD2 3.87Å; L29-T111 VanDerWaalsContact CD2-OG1 3.23Å; L29-T111 WeakPolarHBondContact CD2-OG1 3Å
30T82.3Confident76.7Confident29 Ų2963.5 Ų63.518%0.17832%0.316CS..THydrogen-bonded Turntrans-10014.2176.765.80000112.7I26 V32 L110 Y114 F152I26-T30 HydrophobicContact CG2-CG2 4.1Å; I26-T30 PolarHBondContact O-N 3.36Å; I26-T30 PolarHBondContact O-OG1 2.96Å; T30-V32 PolarHBondContact O-N 3.48Å; T30-V32 VanDerWaalsContact O-N 3.11Å; T30-L110 HydrophobicContact CG2-CD2 4.49Å; T30-Y114 HydrophobicContact CG2-CD1 4.36Å; T30-Y114 HydrophobicContact CG2-CD2 4.1Å; T30-Y114 HydrophobicContact CG2-CE2 4.33Å; T30-Y114 HydrophobicContact CG2-CG 4.11Å; T30-Y114 VanDerWaalsContact O-CE1 3.31Å; T30-Y114 WeakPolarHBondContact O-CE1 3.44Å; T30-Y114 PolarHBondContact O-OH 3.44Å; T30-F152 HydrophobicContact CG2-CZ 4.46Å
31N83.9Confident78Confident52 Ų5255.3 Ų55.328%0.27828%0.281SS..  trans-70.6107.9179.9-168.9-38.7000111.2E27 N28 N33 K34 L35E27-N31 WeakPolarHBondContact O-CB 3.31Å; N28-N31 WeakPolarHBondContact O-CB 3.5Å; N31-N33 PolarHBondContact O-N 3.29Å; N31-N33 VanDerWaalsContact O-N 3.14Å; N31-N33 VanDerWaalsContact OD1-CB 3.3Å; N31-N33 WeakPolarHBondContact OD1-CB 3.29Å; N31-N33 PolarHBondContact OD1-N 2.96Å; N31-K34 HydrophobicContact CB-CD 4.36Å; N31-K34 HydrophobicContact CB-CG 4.29Å; N31-K34 PolarHBondContact O-N 3.46Å; N31-L35 PolarHBondContact O-N 2.86Å
32V75.9Confident79Confident82 Ų8251.1 Ų51.150%0.49726%0.258SS..Hα-helixtrans-55.4-33.3-179.2-1750000112.3T30 K34 L35T30-V32 PolarHBondContact O-N 3.48Å; T30-V32 VanDerWaalsContact O-N 3.11Å; V32-K34 PolarHBondContact O-N 2.99Å; V32-L35 WeakPolarHBondContact O-CB 3.47Å; V32-L35 PolarHBondContact O-N 3.44Å
33N76.3Confident79.3Confident131 Ų13152 Ų5270%0.70127%0.273SS*.Hα-helixtrans-67.7-24.3179.9-62.9-23.6000112.5N31 H36N31-N33 PolarHBondContact O-N 3.29Å; N31-N33 VanDerWaalsContact O-N 3.14Å; N31-N33 VanDerWaalsContact OD1-CB 3.3Å; N31-N33 WeakPolarHBondContact OD1-CB 3.29Å; N31-N33 PolarHBondContact OD1-N 2.96Å; N33-H36 PolarHBondContact O-CE1 3.02Å; N33-H36 PolarHBondContact O-ND1 3.39Å
34K75.5Confident79.3Confident82 Ų8252.8 Ų52.836%0.35728%0.279SS..Hα-helixtrans-89.3-8.6175.3-60.5-176.2-174.3169.70112.7N28 N31 V32 H36 K37 Y68N28-K34 PolarHBondContact OD1-NZ 2.92Å; N31-K34 HydrophobicContact CB-CD 4.36Å; N31-K34 HydrophobicContact CB-CG 4.29Å; N31-K34 PolarHBondContact O-N 3.46Å; V32-K34 PolarHBondContact O-N 2.99Å; K34-H36 VanDerWaalsContact C-N 3.31Å; K34-H36 PolarHBondContact O-N 2.92Å; K34-K37 PolarHBondContact O-N 3.33Å; K34-Y68 WeakPolarHBondContact CB-OH 3.48Å; K34-Y68 PolarHBondContact O-OH 2.91Å
35L71.8Confident79.2Confident13 Ų1358.3 Ų58.37%0.06831%0.305CS..Hα-helixtrans-68-29.8-173-15095.5000112.9N31 V32 K37 L38 M39 Y114 Q118N31-L35 PolarHBondContact O-N 2.86Å; V32-L35 WeakPolarHBondContact O-CB 3.47Å; V32-L35 PolarHBondContact O-N 3.44Å; L35-K37 PolarHBondContact O-N 3.38Å; L35-L38 HydrophobicContact CD1-CD1 4.28Å; L35-L38 WeakPolarHBondContact O-CB 3.32Å; L35-L38 PolarHBondContact O-N 3.48Å; L35-M39 PolarHBondContact O-N 3.36Å; L35-Y114 HydrophobicContact CD1-CD1 3.68Å; L35-Y114 HydrophobicContact CD1-CE1 3.84Å; L35-Q118 HydrophobicContact CD1-CG 4.49Å; L35-Q118 HydrophobicContact CD2-CB 3.57Å; L35-Q118 HydrophobicContact CD2-CG 3.97Å
36H74Confident79.1Confident116 Ų11658.7 Ų58.754%0.53731%0.308SS..Hα-helixtrans-58.4-34.6178.670.3-85.9000112.6N33 K34 M39N33-H36 PolarHBondContact O-CE1 3.02Å; N33-H36 PolarHBondContact O-ND1 3.39Å; K34-H36 VanDerWaalsContact C-N 3.31Å; K34-H36 PolarHBondContact O-N 2.92Å; H36-M39 VanDerWaalsContact O-CB 3.27Å; H36-M39 WeakPolarHBondContact O-CB 3.44Å; H36-M39 PolarHBondContact O-N 3.02Å
37K74.4Confident78.9Confident128 Ų12858.6 Ų58.656%0.55731%0.307SS*.Hα-helixtrans-69.5-32.6177.5-64.7-176.7-179.4-179.30112.3K34 L35 M39 S40 Y68K34-K37 PolarHBondContact O-N 3.33Å; L35-K37 PolarHBondContact O-N 3.38Å; K37-M39 PolarHBondContact O-N 2.95Å; K37-S40 PolarHBondContact O-N 3.44Å; K37-S40 PolarHBondContact O-OG 3.25Å; K37-Y68 HydrophobicContact CB-CD2 4Å; K37-Y68 HydrophobicContact CB-CE2 3.71Å
38L79.9Confident78.5Confident1 Ų160.9 Ų60.91%0.00532%0.322CS..Hα-helixtrans-65.4-24.5174.2-83.4149.7000112.5L35 S40 I41 H42 F65 Y68 T111L35-L38 HydrophobicContact CD1-CD1 4.28Å; L35-L38 WeakPolarHBondContact O-CB 3.32Å; L35-L38 PolarHBondContact O-N 3.48Å; L38-S40 PolarHBondContact O-N 3.03Å; L38-I41 HydrophobicContact CD2-CD1 4.28Å; L38-I41 WeakPolarHBondContact O-CB 3.34Å; L38-I41 PolarHBondContact O-N 3.18Å; L38-H42 PolarHBondContact O-CD2 3.44Å; L38-H42 VanDerWaalsContact O-CD2 3.31Å; L38-H42 PolarHBondContact O-N 2.78Å; L38-F65 HydrophobicContact CD2-CD1 4.34Å; L38-F65 HydrophobicContact CD2-CE1 3.59Å; L38-F65 HydrophobicContact CD2-CZ 4.2Å; L38-Y68 HydrophobicContact CD1-CD1 4.41Å; L38-Y68 HydrophobicContact CD1-CE1 3.52Å; L38-Y68 HydrophobicContact CD1-CE2 4.27Å; L38-Y68 VanDerWaalsContact CD1-CZ 3.4Å; L38-Y68 WeakPolarHBondContact CD1-OH 3.44Å; L38-Y68 HydrophobicContact CD2-CD1 3.97Å; L38-Y68 HydrophobicContact CD2-CE1 3.89Å; L38-Y68 HydrophobicContact CD2-CG 4.47Å; L38-Y68 HydrophobicContact CG-CD1 4.02Å; L38-Y68 HydrophobicContact CG-CD2 4.34Å; L38-Y68 HydrophobicContact CG-CE1 3.57Å; L38-Y68 HydrophobicContact CG-CE2 3.91Å; L38-Y68 HydrophobicContact CG-CG 4.39Å; L38-Y68 VanDerWaalsContact CG-CZ 3.47Å; L38-T111 HydrophobicContact CD1-CG2 3.44Å; L38-T111 VanDerWaalsContact CD1-CG2 3.44Å; L38-T111 HydrophobicContact CD2-CG2 3.76Å; L38-T111 HydrophobicContact CG-CG2 4.2Å
39M72.7Confident77.9Confident88 Ų8863 Ų6343%0.43334%0.335SS..Hα-helixtrans-57.4-37.4177.9-64.2-177.255.900111.8L35 H36 K37 I41 H42 S43 K119L35-M39 PolarHBondContact O-N 3.36Å; H36-M39 VanDerWaalsContact O-CB 3.27Å; H36-M39 WeakPolarHBondContact O-CB 3.44Å; H36-M39 PolarHBondContact O-N 3.02Å; K37-M39 PolarHBondContact O-N 2.95Å; M39-I41 PolarHBondContact O-N 3.33Å; M39-H42 PolarHBondContact O-N 2.96Å; M39-S43 WeakPolarHBondContact O-CB 3.33Å; M39-S43 PolarHBondContact O-N 3.17Å; M39-S43 PolarHBondContact O-OG 3.36Å; M39-S43 VanDerWaalsContact O-OG 3.07Å; M39-K119 VanDerWaalsContact SD-CE 3.59Å; M39-K119 PolarHBondContact SD-NZ 2.03Å
40S77.6Confident77.1Confident80 Ų8066.7 Ų66.756%0.55936%0.358SS*.Hα-helixtrans-63-28.5176.669.80000113.5K37 L38 S43K37-S40 PolarHBondContact O-N 3.44Å; K37-S40 PolarHBondContact O-OG 3.25Å; L38-S40 PolarHBondContact O-N 3.03Å; S40-S43 PolarHBondContact O-OG 2.97Å
41I82.8Confident76.4Confident7 Ų765.8 Ų65.84%0.03635%0.352CS..Hα-helixtrans-79.4-44.8176.6-54.2-177.5000109.1L38 M39 S43 N44 L47 I61 K64 F65 Y68L38-I41 HydrophobicContact CD2-CD1 4.28Å; L38-I41 WeakPolarHBondContact O-CB 3.34Å; L38-I41 PolarHBondContact O-N 3.18Å; M39-I41 PolarHBondContact O-N 3.33Å; I41-S43 PolarHBondContact O-N 2.99Å; I41-N44 WeakPolarHBondContact O-CB 3.39Å; I41-N44 PolarHBondContact O-N 3.3Å; I41-N44 VanDerWaalsContact O-N 3.15Å; I41-L47 WeakPolarHBondContact O-CD1 3.41Å; I41-I61 HydrophobicContact CG2-CD1 4.38Å; I41-I61 HydrophobicContact CG2-CG2 4.43Å; I41-K64 HydrophobicContact CD1-CB 3.92Å; I41-K64 HydrophobicContact CG1-CB 4.02Å; I41-K64 HydrophobicContact CG2-CB 4.29Å; I41-F65 HydrophobicContact CG2-CD2 4.18Å; I41-F65 HydrophobicContact CG2-CE2 3.69Å; I41-F65 HydrophobicContact CG2-CZ 4.09Å; I41-Y68 HydrophobicContact CD1-CG 4.38Å
42H76.7Confident75.9Confident26 Ų2669.6 Ų69.612%0.1237%0.369CS..Hα-helixtrans-68.3-31.2-179.1-74.5-61.7000114.4L38 M39 N44 L47 S115L38-H42 PolarHBondContact O-CD2 3.44Å; L38-H42 VanDerWaalsContact O-CD2 3.31Å; L38-H42 PolarHBondContact O-N 2.78Å; M39-H42 PolarHBondContact O-N 2.96Å; H42-N44 PolarHBondContact O-N 2.89Å; H42-L47 VanDerWaalsContact CA-CD1 3.49Å; H42-S115 PolarHBondContact CD2-OG 3.05Å; H42-S115 WeakPolarHBondContact NE2-CB 3.33Å; H42-S115 PolarHBondContact NE2-OG 3.42Å
43S78.5Confident76Confident92 Ų9271.7 Ų71.764%0.64338%0.375SS*.THydrogen-bonded Turntrans-79.41.2174.564.90000113.2M39 S40 I41M39-S43 WeakPolarHBondContact O-CB 3.33Å; M39-S43 PolarHBondContact O-N 3.17Å; M39-S43 PolarHBondContact O-OG 3.36Å; M39-S43 VanDerWaalsContact O-OG 3.07Å; S40-S43 PolarHBondContact O-OG 2.97Å; I41-S43 PolarHBondContact O-N 2.99Å
44N84.6Confident76Confident31 Ų3168.6 Ų68.617%0.16636%0.355CS..  trans-73.8134.2-177.7-169.2-90.5000111.2I41 H42 C46 L47 Y60 I61I41-N44 WeakPolarHBondContact O-CB 3.39Å; I41-N44 PolarHBondContact O-N 3.3Å; I41-N44 VanDerWaalsContact O-N 3.15Å; H42-N44 PolarHBondContact O-N 2.89Å; N44-C46 PolarHBondContact O-N 3.38Å; N44-C46 VanDerWaalsContact OD1-CB 3.27Å; N44-C46 WeakPolarHBondContact OD1-CB 3.41Å; N44-C46 PolarHBondContact OD1-N 3.06Å; N44-C46 VanDerWaalsContact OD1-N 3.09Å; N44-L47 PolarHBondContact O-N 3.41Å; N44-Y60 WeakPolarHBondContact ND2-CE1 3.2Å; N44-I61 HydrophobicContact CB-CD1 3.92Å
45E82.1Confident76.4Confident147 Ų14766.6 Ų66.669%0.68735%0.348SS*.G310 helixtrans-51.9-32-178.864.3-176.617200113.7L47 N48 T49E45-L47 PolarHBondContact O-N 3.05Å; E45-N48 WeakPolarHBondContact O-CB 3.36Å; E45-N48 PolarHBondContact O-N 3.5Å; E45-T49 PolarHBondContact O-N 3.5Å
46C82.9Confident77Confident9 Ų970.8 Ų70.86%0.06138%0.378CS..G310 helixtrans-61-27.9179-79.20000113.5N44 N48 T49 I51 C57 I61N44-C46 PolarHBondContact O-N 3.38Å; N44-C46 VanDerWaalsContact OD1-CB 3.27Å; N44-C46 WeakPolarHBondContact OD1-CB 3.41Å; N44-C46 PolarHBondContact OD1-N 3.06Å; N44-C46 VanDerWaalsContact OD1-N 3.09Å; C46-N48 VanDerWaalsContact C-N 3.34Å; C46-T49 PolarHBondContact O-OG1 3.23Å; C46-I51 WeakPolarHBondContact O-CG1 3.24Å; C46-C57 WeakPolarHBondContact CA-SG 3.46Å; C46-C57 HydrophobicContact CB-CB 3.44Å; C46-C57 VanDerWaalsContact CB-CB 3.44Å; C46-C57 WeakPolarHBondContact CB-SG 3.37Å; C46-C57 WeakPolarHBondContact SG-CA 3.02Å; C46-C57 WeakPolarHBondContact SG-CB 3.35Å; C46-C57 CovalentContact SG-SG 2.05Å; C46-C57 PolarHBondContact SG-SG 3.34Å; C46-I61 HydrophobicContact CB-CD1 3.98Å; C46-I61 HydrophobicContact CB-CG1 3.79Å
47L76.3Confident77.6Confident9 Ų966.2 Ų66.25%0.04736%0.359CS..G310 helixtrans-77.8-17.9174.9-71.3173.1000113.5I41 H42 N44 E45 I51 I61 I129I41-L47 WeakPolarHBondContact O-CD1 3.41Å; H42-L47 VanDerWaalsContact CA-CD1 3.49Å; N44-L47 PolarHBondContact O-N 3.41Å; E45-L47 PolarHBondContact O-N 3.05Å; L47-I51 HydrophobicContact CD2-CD1 3.86Å; L47-I61 HydrophobicContact CD1-CD1 4.41Å; L47-I61 HydrophobicContact CD2-CD1 4.5Å; L47-I61 HydrophobicContact CD2-CG1 4.44Å; L47-I61 HydrophobicContact CD2-CG2 4.33Å; L47-I61 HydrophobicContact CG-CD1 3.95Å; L47-I61 HydrophobicContact CG-CG1 4.36Å; L47-I129 HydrophobicContact CD2-CD1 3.39Å
48N70.7Confident78.1Confident129 Ų12963 Ų6369%0.6934%0.344SS*.THydrogen-bonded Turntrans-83.8-16.6174.6-65.5-17000112E45 C46E45-N48 WeakPolarHBondContact O-CB 3.36Å; E45-N48 PolarHBondContact O-N 3.5Å; C46-N48 VanDerWaalsContact C-N 3.34Å
49T69.3Low78.4Confident64 Ų6464.3 Ų64.339%0.39335%0.351SS..SBendtrans-90.3160.6178.365.10000112.5E45 C46 I51E45-T49 PolarHBondContact O-N 3.5Å; C46-T49 PolarHBondContact O-OG1 3.23Å; T49-I51 WeakPolarHBondContact O-CG1 3.26Å; T49-I51 PolarHBondContact O-N 3.08Å; T49-I51 VanDerWaalsContact O-N 3.1Å
50T70.3Confident79.1Confident84 Ų8465.1 Ų65.152%0.51535%0.35SS..  trans-67.5107.1169.1-48.50000109.4Q52T50-Q52 PolarHBondContact O-N 3.02Å; T50-Q52 VanDerWaalsContact O-N 3.16Å
51I68Low79.6Confident10 Ų1061.9 Ų61.95%0.05133%0.326CS..  trans-80.6100.1-175-47.7178.6000110.5C46 L47 T49 W58 H128 I129C46-I51 WeakPolarHBondContact O-CG1 3.24Å; L47-I51 HydrophobicContact CD2-CD1 3.86Å; T49-I51 WeakPolarHBondContact O-CG1 3.26Å; T49-I51 PolarHBondContact O-N 3.08Å; T49-I51 VanDerWaalsContact O-N 3.1Å; I51-W58 HydrophobicContact CG2-CB 3.76Å; I51-W58 HydrophobicContact CG2-CD2 4.39Å; I51-W58 HydrophobicContact CG2-CE3 3.67Å; I51-W58 HydrophobicContact CG2-CG 4.49Å; I51-H128 PolarHBondContact O-CD2 3.33Å; I51-I129 HydrophobicContact CD1-CD1 3.86Å; I51-I129 HydrophobicContact CD1-CG1 4.42Å
52Q73.8Confident79.9Confident133 Ų13362.9 Ų62.962%0.62133%0.329SS*.  trans-75135.2169.4-67.1179.3-19.800110.5T50 F54 N55T50-Q52 PolarHBondContact O-N 3.02Å; T50-Q52 VanDerWaalsContact O-N 3.16Å; Q52-F54 PolarHBondContact O-N 2.85Å; Q52-N55 HydrophobicContact CB-CB 4.16Å; Q52-N55 PolarHBondContact N-ND2 3.26Å; Q52-N55 WeakPolarHBondContact O-CB 3.44Å; Q52-N55 PolarHBondContact O-N 3.04Å; Q52-N55 VanDerWaalsContact O-N 3.1Å; Q52-N55 PolarHBondContact O-OD1 3.43Å; Q52-N55 VanDerWaalsContact O-OD1 3.09Å
53M77Confident80.5Confident126 Ų12664.2 Ų64.262%0.62134%0.335SS*.THydrogen-bonded Turntrans-54.5133.6178.9-16717556.800110.7N55 W58M53-N55 PolarHBondContact O-N 2.79Å; M53-W58 HydrophobicContact CG-CZ2 4.22Å
54F76.5Confident81.1Confident65 Ų6563 Ų6329%0.28532%0.319SS..THydrogen-bonded Turntrans655.3-177.9-48.6-57.4000117.2Q52 W58 N59 Q88 R89Q52-F54 PolarHBondContact O-N 2.85Å; F54-W58 VanDerWaalsContact N-CD1 3.35Å; F54-N59 PolarHBondContact O-ND2 3.45Å; F54-Q88 HydrophobicContact CE1-CB 3.87Å; F54-Q88 HydrophobicContact CZ-CB 4.18Å; F54-Q88 WeakPolarHBondContact CZ-O 3.03Å; F54-R89 HydrophobicContact CD1-CB 4.42Å; F54-R89 HydrophobicContact CD1-CG 3.9Å
55N84Confident81.3Confident41 Ų4161.9 Ų61.922%0.21931%0.312CS..SBendtrans-68.1173.9171.680.30.1000111.9Q52 M53 C57 W58 N59Q52-N55 HydrophobicContact CB-CB 4.16Å; Q52-N55 PolarHBondContact N-ND2 3.26Å; Q52-N55 WeakPolarHBondContact O-CB 3.44Å; Q52-N55 PolarHBondContact O-N 3.04Å; Q52-N55 VanDerWaalsContact O-N 3.1Å; Q52-N55 PolarHBondContact O-OD1 3.43Å; Q52-N55 VanDerWaalsContact O-OD1 3.09Å; M53-N55 PolarHBondContact O-N 2.79Å; N55-C57 VanDerWaalsContact C-N 3.27Å; N55-C57 PolarHBondContact O-N 3.45Å; N55-C57 PolarHBondContact OD1-N 3.12Å; N55-C57 VanDerWaalsContact OD1-N 3.15Å; N55-W58 PolarHBondContact O-N 3.39Å; N55-W58 WeakPolarHBondContact OD1-CB 3.17Å; N55-W58 PolarHBondContact OD1-N 3.35Å; N55-N59 VanDerWaalsContact O-CG 3.3Å; N55-N59 PolarHBondContact O-N 3.1Å; N55-N59 VanDerWaalsContact O-N 3.09Å; N55-N59 PolarHBondContact O-ND2 3.06Å
56S85.3Confident81.8Confident100 Ų10054.9 Ų54.970%0.69928%0.28SS*.Hα-helixtrans-54.6-44179.6520000112.1N59 Y60S56-N59 PolarHBondContact O-N 3.41Å; S56-Y60 VanDerWaalsContact O-CB 3.26Å; S56-Y60 WeakPolarHBondContact O-CB 3.47Å; S56-Y60 PolarHBondContact O-N 2.78Å
57C86.7Confident82.1Confident20 Ų2058.7 Ų58.714%0.13530%0.296CS..Hα-helixtrans-67.2-44.5-179.9-88.60000113.8C46 N55 N59 Y60 I61C46-C57 WeakPolarHBondContact CA-SG 3.46Å; C46-C57 HydrophobicContact CB-CB 3.44Å; C46-C57 VanDerWaalsContact CB-CB 3.44Å; C46-C57 WeakPolarHBondContact CB-SG 3.37Å; C46-C57 WeakPolarHBondContact SG-CA 3.02Å; C46-C57 WeakPolarHBondContact SG-CB 3.35Å; C46-C57 CovalentContact SG-SG 2.05Å; C46-C57 PolarHBondContact SG-SG 3.34Å; N55-C57 VanDerWaalsContact C-N 3.27Å; N55-C57 PolarHBondContact O-N 3.45Å; N55-C57 PolarHBondContact OD1-N 3.12Å; N55-C57 VanDerWaalsContact OD1-N 3.15Å; C57-N59 VanDerWaalsContact C-N 3.33Å; C57-N59 PolarHBondContact O-N 3.06Å; C57-Y60 PolarHBondContact O-N 3.38Å; C57-I61 WeakPolarHBondContact O-CG1 3.01Å; C57-I61 PolarHBondContact O-N 3.12Å
58W83.9Confident82.6Confident62 Ų6260.6 Ų60.624%0.23530%0.304CS..Hα-helixtrans-55.6-50.3174.7176.1-86.9000110.6I51 M53 F54 N55 Y60 R62I51-W58 HydrophobicContact CG2-CB 3.76Å; I51-W58 HydrophobicContact CG2-CD2 4.39Å; I51-W58 HydrophobicContact CG2-CE3 3.67Å; I51-W58 HydrophobicContact CG2-CG 4.49Å; M53-W58 HydrophobicContact CG-CZ2 4.22Å; F54-W58 VanDerWaalsContact N-CD1 3.35Å; N55-W58 PolarHBondContact O-N 3.39Å; N55-W58 WeakPolarHBondContact OD1-CB 3.17Å; N55-W58 PolarHBondContact OD1-N 3.35Å; W58-Y60 VanDerWaalsContact C-N 3.34Å; W58-Y60 PolarHBondContact O-N 3.35Å; W58-R62 WeakPolarHBondContact O-CB 3.38Å; W58-R62 VanDerWaalsContact O-CG 3.27Å; W58-R62 WeakPolarHBondContact O-CG 3.43Å; W58-R62 PolarHBondContact O-N 3.14Å; W58-R62 VanDerWaalsContact O-N 3.08Å
59N86.1Confident83.5Confident27 Ų2755 Ų5514%0.14427%0.274CS..Hα-helixtrans-65.3-39.4-179.5-66.3-35.6000111.9F54 N55 S56 C57 Q63 R89F54-N59 PolarHBondContact O-ND2 3.45Å; N55-N59 VanDerWaalsContact O-CG 3.3Å; N55-N59 PolarHBondContact O-N 3.1Å; N55-N59 VanDerWaalsContact O-N 3.09Å; N55-N59 PolarHBondContact O-ND2 3.06Å; S56-N59 PolarHBondContact O-N 3.41Å; C57-N59 VanDerWaalsContact C-N 3.33Å; C57-N59 PolarHBondContact O-N 3.06Å; N59-Q63 WeakPolarHBondContact O-CB 3.3Å; N59-Q63 PolarHBondContact O-N 3.45Å; N59-R89 WeakPolarHBondContact OD1-CD 3.47Å; N59-R89 PolarHBondContact OD1-NE 2.82Å
60Y88.6Confident84.4Confident105 Ų10552 Ų5241%0.41226%0.255SS..Hα-helixtrans-65.8-48.6179.1-178.8-100.8000112.3N44 S56 C57 W58 R62 Q63 K64N44-Y60 WeakPolarHBondContact ND2-CE1 3.2Å; S56-Y60 VanDerWaalsContact O-CB 3.26Å; S56-Y60 WeakPolarHBondContact O-CB 3.47Å; S56-Y60 PolarHBondContact O-N 2.78Å; C57-Y60 PolarHBondContact O-N 3.38Å; W58-Y60 VanDerWaalsContact C-N 3.34Å; W58-Y60 PolarHBondContact O-N 3.35Å; Y60-R62 VanDerWaalsContact C-N 3.35Å; Y60-R62 PolarHBondContact O-N 3.29Å; Y60-Q63 WeakPolarHBondContact O-CB 3.5Å; Y60-Q63 PolarHBondContact O-N 3.13Å; Y60-K64 HydrophobicContact CE1-CG 4.17Å; Y60-K64 PolarHBondContact O-N 3.07Å; Y60-K64 WeakPolarHBondContact OH-CE 3.48Å
61I86.8Confident84.9Confident13 Ų1351 Ų517%0.06725%0.25CS..Hα-helixtrans-61.7-43.6177.9-67.5-62.7000110.9I41 N44 C46 L47 C57 Q63 K64 F65I41-I61 HydrophobicContact CG2-CD1 4.38Å; I41-I61 HydrophobicContact CG2-CG2 4.43Å; N44-I61 HydrophobicContact CB-CD1 3.92Å; C46-I61 HydrophobicContact CB-CD1 3.98Å; C46-I61 HydrophobicContact CB-CG1 3.79Å; L47-I61 HydrophobicContact CD1-CD1 4.41Å; L47-I61 HydrophobicContact CD2-CD1 4.5Å; L47-I61 HydrophobicContact CD2-CG1 4.44Å; L47-I61 HydrophobicContact CD2-CG2 4.33Å; L47-I61 HydrophobicContact CG-CD1 3.95Å; L47-I61 HydrophobicContact CG-CG1 4.36Å; C57-I61 WeakPolarHBondContact O-CG1 3.01Å; C57-I61 PolarHBondContact O-N 3.12Å; I61-Q63 VanDerWaalsContact C-N 3.33Å; I61-Q63 PolarHBondContact O-N 3.1Å; I61-K64 WeakPolarHBondContact O-CB 3.37Å; I61-K64 PolarHBondContact O-N 3.16Å; I61-K64 VanDerWaalsContact O-N 3.12Å; I61-F65 HydrophobicContact CG2-CD2 3.85Å; I61-F65 HydrophobicContact CG2-CE2 3.75Å; I61-F65 WeakPolarHBondContact O-CD2 3.03Å; I61-F65 PolarHBondContact O-N 3.28Å
62R89.4Confident85.2Confident28 Ų2858 Ų5811%0.10629%0.286CS..Hα-helixtrans-62.4-40.3177.1-70-179.474.879.12.3112.3W58 Y60 K64 F65 I66 E85W58-R62 WeakPolarHBondContact O-CB 3.38Å; W58-R62 VanDerWaalsContact O-CG 3.27Å; W58-R62 WeakPolarHBondContact O-CG 3.43Å; W58-R62 PolarHBondContact O-N 3.14Å; W58-R62 VanDerWaalsContact O-N 3.08Å; Y60-R62 VanDerWaalsContact C-N 3.35Å; Y60-R62 PolarHBondContact O-N 3.29Å; R62-K64 VanDerWaalsContact C-N 3.29Å; R62-K64 PolarHBondContact O-N 3.16Å; R62-F65 PolarHBondContact O-N 3.46Å; R62-F65 VanDerWaalsContact O-N 3.13Å; R62-I66 WeakPolarHBondContact O-CG1 2.97Å; R62-I66 PolarHBondContact O-N 3.38Å; R62-E85 WeakPolarHBondContact CD-OE2 3.3Å; R62-E85 IonicContact CZ-OE1 3.69Å; R62-E85 IonicContact CZ-OE2 4Å; R62-E85 VanDerWaalsContact NE-CD 3.27Å; R62-E85 IonicContact NE-OE1 2.63Å; R62-E85 PolarHBondContact NE-OE1 3.3Å; R62-E85 IonicContact NE-OE2 3.96Å; R62-E85 PolarHBondContact NE-OE2 3.12Å; R62-E85 IonicContact NH2-OE1 2.99Å; R62-E85 PolarHBondContact NH2-OE1 2.59Å; R62-E85 IonicContact NH2-OE2 2.68Å
63Q90.7Very high85.3Confident53 Ų5355.1 Ų55.125%0.24829%0.292CS..Hα-helixtrans-60.6-39.8174.1-171.361.829.600111.7N59 Y60 I61 F65 I66 E67N59-Q63 WeakPolarHBondContact O-CB 3.3Å; N59-Q63 PolarHBondContact O-N 3.45Å; Y60-Q63 WeakPolarHBondContact O-CB 3.5Å; Y60-Q63 PolarHBondContact O-N 3.13Å; I61-Q63 VanDerWaalsContact C-N 3.33Å; I61-Q63 PolarHBondContact O-N 3.1Å; Q63-F65 VanDerWaalsContact C-N 3.33Å; Q63-F65 PolarHBondContact O-N 3.22Å; Q63-I66 WeakPolarHBondContact O-CB 3.3Å; Q63-I66 PolarHBondContact O-N 2.95Å; Q63-E67 WeakPolarHBondContact O-CG 3.49Å; Q63-E67 PolarHBondContact O-N 3.1Å
64K89.6Confident85.5Confident66 Ų6651.5 Ų51.529%0.28728%0.275SS..Hα-helixtrans-62.9-38174-69.3-65.4174.4-161.80113I41 Y60 I61 R62 E67 Y68I41-K64 HydrophobicContact CD1-CB 3.92Å; I41-K64 HydrophobicContact CG1-CB 4.02Å; I41-K64 HydrophobicContact CG2-CB 4.29Å; Y60-K64 HydrophobicContact CE1-CG 4.17Å; Y60-K64 PolarHBondContact O-N 3.07Å; Y60-K64 WeakPolarHBondContact OH-CE 3.48Å; I61-K64 WeakPolarHBondContact O-CB 3.37Å; I61-K64 PolarHBondContact O-N 3.16Å; I61-K64 VanDerWaalsContact O-N 3.12Å; R62-K64 VanDerWaalsContact C-N 3.29Å; R62-K64 PolarHBondContact O-N 3.16Å; K64-E67 IonicContact NZ-OE2 3.71Å; K64-E67 PolarHBondContact NZ-OE2 2.95Å; K64-E67 VanDerWaalsContact NZ-OE2 3.14Å; K64-E67 PolarHBondContact O-N 3.39Å; K64-Y68 VanDerWaalsContact O-CB 3.31Å; K64-Y68 WeakPolarHBondContact O-CB 3.41Å; K64-Y68 PolarHBondContact O-N 3.49Å
65F90.4Very high85.7Confident9 Ų952.9 Ų52.94%0.03929%0.285CS..Hα-helixtrans-67.7-36.7172.9-83.8-78.2000113L38 I41 I61 R62 Q63 Y68 L69 L108 A112L38-F65 HydrophobicContact CD2-CD1 4.34Å; L38-F65 HydrophobicContact CD2-CE1 3.59Å; L38-F65 HydrophobicContact CD2-CZ 4.2Å; I41-F65 HydrophobicContact CG2-CD2 4.18Å; I41-F65 HydrophobicContact CG2-CE2 3.69Å; I41-F65 HydrophobicContact CG2-CZ 4.09Å; I61-F65 HydrophobicContact CG2-CD2 3.85Å; I61-F65 HydrophobicContact CG2-CE2 3.75Å; I61-F65 WeakPolarHBondContact O-CD2 3.03Å; I61-F65 PolarHBondContact O-N 3.28Å; R62-F65 PolarHBondContact O-N 3.46Å; R62-F65 VanDerWaalsContact O-N 3.13Å; Q63-F65 VanDerWaalsContact C-N 3.33Å; Q63-F65 PolarHBondContact O-N 3.22Å; F65-Y68 PolarHBondContact O-N 2.81Å; F65-L69 HydrophobicContact CB-CD1 4.44Å; F65-L69 HydrophobicContact CD1-CD1 4.39Å; F65-L69 VanDerWaalsContact O-CB 3.25Å; F65-L69 WeakPolarHBondContact O-CB 3.46Å; F65-L69 VanDerWaalsContact O-CG 3.3Å; F65-L69 WeakPolarHBondContact O-CG 3.42Å; F65-L69 PolarHBondContact O-N 3.35Å; F65-L108 HydrophobicContact CB-CD1 3.72Å; F65-L108 HydrophobicContact CB-CG 4.09Å; F65-L108 HydrophobicContact CD1-CG 4.13Å; F65-L108 HydrophobicContact CD2-CD1 4.37Å; F65-L108 HydrophobicContact CD2-CG 4.38Å; F65-L108 HydrophobicContact CG-CD1 4.03Å; F65-L108 HydrophobicContact CG-CG 3.95Å; F65-A112 HydrophobicContact CE1-CB 3.98Å; F65-A112 HydrophobicContact CZ-CB 3.72Å
66I91.4Very high85.8Confident0 Ų057.2 Ų57.20%031%0.308CS..Hα-helixtrans-61.3-47.7173.8-68.3169.8000110.3R62 Q63 Y68 I70 R78 I81 E82 E85 F104R62-I66 WeakPolarHBondContact O-CG1 2.97Å; R62-I66 PolarHBondContact O-N 3.38Å; Q63-I66 WeakPolarHBondContact O-CB 3.3Å; Q63-I66 PolarHBondContact O-N 2.95Å; I66-Y68 VanDerWaalsContact C-N 3.3Å; I66-Y68 PolarHBondContact O-N 3.25Å; I66-I70 HydrophobicContact CG2-CD1 3.82Å; I66-I70 WeakPolarHBondContact O-CB 3.4Å; I66-I70 PolarHBondContact O-N 3.36Å; I66-I70 VanDerWaalsContact O-N 3.15Å; I66-R78 HydrophobicContact CG2-CG 4.2Å; I66-I81 HydrophobicContact CD1-CG2 3.93Å; I66-I81 HydrophobicContact CG1-CG2 3.98Å; I66-E82 HydrophobicContact CG2-CG 4.42Å; I66-E85 HydrophobicContact CD1-CG 3.83Å; I66-F104 HydrophobicContact CD1-CZ 4.2Å; I66-F104 HydrophobicContact CG1-CE1 4.28Å; I66-F104 HydrophobicContact CG1-CE2 3.67Å; I66-F104 HydrophobicContact CG1-CZ 3.41Å; I66-F104 VanDerWaalsContact CG1-CZ 3.41Å
67E88.6Confident85.9Confident88 Ų8854 Ų5441%0.41128%0.284SS..Hα-helixtrans-61.3-38.1177.2-73.3169.5-168.100112.4Q63 K64Q63-E67 WeakPolarHBondContact O-CG 3.49Å; Q63-E67 PolarHBondContact O-N 3.1Å; K64-E67 IonicContact NZ-OE2 3.71Å; K64-E67 PolarHBondContact NZ-OE2 2.95Å; K64-E67 VanDerWaalsContact NZ-OE2 3.14Å; K64-E67 PolarHBondContact O-N 3.39Å
68Y88Confident86.1Confident50 Ų5055.4 Ų55.420%0.19629%0.286CS..Hα-helixtrans-76.1-48.3-179.2174.4-99.3000113.3K34 K37 L38 I41 K64 F65 I66 T111K34-Y68 WeakPolarHBondContact CB-OH 3.48Å; K34-Y68 PolarHBondContact O-OH 2.91Å; K37-Y68 HydrophobicContact CB-CD2 4Å; K37-Y68 HydrophobicContact CB-CE2 3.71Å; L38-Y68 HydrophobicContact CD1-CD1 4.41Å; L38-Y68 HydrophobicContact CD1-CE1 3.52Å; L38-Y68 HydrophobicContact CD1-CE2 4.27Å; L38-Y68 VanDerWaalsContact CD1-CZ 3.4Å; L38-Y68 WeakPolarHBondContact CD1-OH 3.44Å; L38-Y68 HydrophobicContact CD2-CD1 3.97Å; L38-Y68 HydrophobicContact CD2-CE1 3.89Å; L38-Y68 HydrophobicContact CD2-CG 4.47Å; L38-Y68 HydrophobicContact CG-CD1 4.02Å; L38-Y68 HydrophobicContact CG-CD2 4.34Å; L38-Y68 HydrophobicContact CG-CE1 3.57Å; L38-Y68 HydrophobicContact CG-CE2 3.91Å; L38-Y68 HydrophobicContact CG-CG 4.39Å; L38-Y68 VanDerWaalsContact CG-CZ 3.47Å; I41-Y68 HydrophobicContact CD1-CG 4.38Å; K64-Y68 VanDerWaalsContact O-CB 3.31Å; K64-Y68 WeakPolarHBondContact O-CB 3.41Å; K64-Y68 PolarHBondContact O-N 3.49Å; F65-Y68 PolarHBondContact O-N 2.81Å; I66-Y68 VanDerWaalsContact C-N 3.3Å; I66-Y68 PolarHBondContact O-N 3.25Å; Y68-T111 HydrophobicContact CD1-CG2 4.36Å; Y68-T111 HydrophobicContact CE1-CG2 3.75Å
69L89.1Confident86.3Confident12 Ų1256.3 Ų56.36%0.06330%0.298CS..Hα-helixtrans-77.3-39.4-171.2-71.2172.6000112.6W23 L29 F65 P71 F104 A107 L108 T111W23-L69 HydrophobicContact CE3-CB 4.16Å; W23-L69 HydrophobicContact CZ3-CB 4.17Å; L29-L69 HydrophobicContact CD2-CD2 3.59Å; F65-L69 HydrophobicContact CB-CD1 4.44Å; F65-L69 HydrophobicContact CD1-CD1 4.39Å; F65-L69 VanDerWaalsContact O-CB 3.25Å; F65-L69 WeakPolarHBondContact O-CB 3.46Å; F65-L69 VanDerWaalsContact O-CG 3.3Å; F65-L69 WeakPolarHBondContact O-CG 3.42Å; F65-L69 PolarHBondContact O-N 3.35Å; L69-P71 WeakPolarHBondContact O-CD 3.25Å; L69-F104 HydrophobicContact CD1-CD2 4.19Å; L69-F104 HydrophobicContact CD1-CE2 3.98Å; L69-A107 HydrophobicContact CD1-CB 4.39Å; L69-L108 HydrophobicContact CD1-CB 4Å; L69-T111 HydrophobicContact CD2-CG2 4.07Å
70I88.2Confident86.5Confident1 Ų157.6 Ų57.61%0.00530%0.304CS..SBendtrans-97.3111.1-169.8-49.2172.9000109.3W23 I66 N74 D77 R78 I81W23-I70 HydrophobicContact CH2-CG1 4.38Å; W23-I70 HydrophobicContact CZ2-CG1 4.38Å; W23-I70 HydrophobicContact CZ3-CG1 4.44Å; I66-I70 HydrophobicContact CG2-CD1 3.82Å; I66-I70 WeakPolarHBondContact O-CB 3.4Å; I66-I70 PolarHBondContact O-N 3.36Å; I66-I70 VanDerWaalsContact O-N 3.15Å; I70-N74 HydrophobicContact CG2-CB 3.79Å; I70-D77 HydrophobicContact CG2-CB 4.48Å; I70-R78 HydrophobicContact CD1-CB 4.26Å; I70-R78 HydrophobicContact CD1-CG 4.48Å; I70-R78 HydrophobicContact CG2-CB 4.09Å; I70-R78 PolarHBondContact O-NH2 3.29Å; I70-I81 HydrophobicContact CD1-CB 4.32Å; I70-I81 HydrophobicContact CD1-CD1 3.38Å; I70-I81 HydrophobicContact CD1-CG1 4.44Å; I70-I81 HydrophobicContact CD1-CG2 4.41Å; I70-I81 HydrophobicContact CG1-CD1 4.25Å
71P81.7Confident86.7Confident63 Ų6352.6 Ų52.641%0.40929%0.285SS..  trans-58.9154.1177.5-21.733.8000111.7W23 L69 G73 N74W23-P71 VanDerWaalsContact CB-CD 3.42Å; W23-P71 HydrophobicContact CB-CG 3.82Å; L69-P71 WeakPolarHBondContact O-CD 3.25Å; P71-G73 PolarHBondContact O-N 3.49Å; P71-G73 VanDerWaalsContact O-N 3.13Å; P71-N74 PolarHBondContact O-N 2.87Å
72I73.7Confident86.9Confident156 Ų15654 Ų5480%0.829%0.291SS*.THydrogen-bonded Turntrans-56.5-32.5179.5-61.5173.4000111.5N74I72-N74 VanDerWaalsContact C-N 3.26Å; I72-N74 PolarHBondContact O-N 3.38Å
73G75.4Confident86.9Confident72 Ų7259 Ų5974%0.74231%0.313SS*.THydrogen-bonded Turntrans-67.2-18.1177.100000115.3P71 N75P71-G73 PolarHBondContact O-N 3.49Å; P71-G73 VanDerWaalsContact O-N 3.13Å; G73-N75 PolarHBondContact O-N 3.34Å
74N82.1Confident86.8Confident50 Ų5057.7 Ų57.727%0.26731%0.307SS..  trans-98.651.8-176.6-75.263000111.7W23 I70 P71 I72 N76 D77 R78W23-N74 VanDerWaalsContact CD1-ND2 3.31Å; I70-N74 HydrophobicContact CG2-CB 3.79Å; P71-N74 PolarHBondContact O-N 2.87Å; I72-N74 VanDerWaalsContact C-N 3.26Å; I72-N74 PolarHBondContact O-N 3.38Å; N74-N76 VanDerWaalsContact C-N 3.32Å; N74-N76 PolarHBondContact O-N 3.47Å; N74-D77 HydrophobicContact CB-CB 4.38Å; N74-D77 PolarHBondContact ND2-OD2 3.23Å; N74-D77 PolarHBondContact O-N 3.43Å; N74-R78 PolarHBondContact O-N 2.04Å; N74-R78 VanDerWaalsContact O-N 3.12Å
75N80.5Confident86.7Confident95 Ų9554.7 Ų54.751%0.50829%0.294SS..Hα-helixtrans-62.9-36.7-174.6-164.731.6000112.8G73 D77 R78 V79G73-N75 PolarHBondContact O-N 3.34Å; N75-D77 PolarHBondContact O-N 2.98Å; N75-R78 WeakPolarHBondContact O-CB 3.49Å; N75-R78 PolarHBondContact O-N 3.49Å; N75-V79 WeakPolarHBondContact O-CG2 3.47Å; N75-V79 PolarHBondContact O-N 2.84Å
76N85.1Confident86.5Confident131 Ų13161.5 Ų61.570%0.70132%0.32SS*.Hα-helixtrans-61-46.9177.5-72.1-11.7000112N74 R78 V79 I80N74-N76 VanDerWaalsContact C-N 3.32Å; N74-N76 PolarHBondContact O-N 3.47Å; N76-R78 VanDerWaalsContact C-N 3.32Å; N76-R78 PolarHBondContact O-N 2.96Å; N76-V79 PolarHBondContact O-N 3.11Å; N76-I80 WeakPolarHBondContact O-CG1 3.41Å; N76-I80 PolarHBondContact O-N 3.38Å; N76-I80 VanDerWaalsContact O-N 3.09Å
77D88.6Confident86Confident34 Ų3463.6 Ų63.618%0.18233%0.33CS..Hα-helixtrans-61.1-44.3176.6-65.4-21.9000110.8W23 I70 N74 N75 V79 I80 I81 T100W23-D77 PolarHBondContact NE1-OD2 3.09Å; I70-D77 HydrophobicContact CG2-CB 4.48Å; N74-D77 HydrophobicContact CB-CB 4.38Å; N74-D77 PolarHBondContact ND2-OD2 3.23Å; N74-D77 PolarHBondContact O-N 3.43Å; N75-D77 PolarHBondContact O-N 2.98Å; D77-V79 PolarHBondContact O-N 3.13Å; D77-I80 PolarHBondContact O-N 3.41Å; D77-I81 HydrophobicContact CB-CD1 4.5Å; D77-I81 WeakPolarHBondContact O-CB 3.46Å; D77-I81 WeakPolarHBondContact O-CD1 3.35Å; D77-I81 VanDerWaalsContact O-CG1 3.31Å; D77-I81 WeakPolarHBondContact O-CG1 3.04Å; D77-I81 PolarHBondContact O-N 2.71Å; D77-T100 HydrophobicContact CB-CG2 3.93Å
78R89.6Confident85.6Confident49 Ų4961.1 Ų61.119%0.18532%0.319CS..Hα-helixtrans-57.8-48.2177.6-173.9178.6-72.1-133.8-1.4111.6I66 I70 N74 N75 N76 I80 I81 E82I66-R78 HydrophobicContact CG2-CG 4.2Å; I70-R78 HydrophobicContact CD1-CB 4.26Å; I70-R78 HydrophobicContact CD1-CG 4.48Å; I70-R78 HydrophobicContact CG2-CB 4.09Å; I70-R78 PolarHBondContact O-NH2 3.29Å; N74-R78 PolarHBondContact O-N 2.04Å; N74-R78 VanDerWaalsContact O-N 3.12Å; N75-R78 WeakPolarHBondContact O-CB 3.49Å; N75-R78 PolarHBondContact O-N 3.49Å; N76-R78 VanDerWaalsContact C-N 3.32Å; N76-R78 PolarHBondContact O-N 2.96Å; R78-I80 VanDerWaalsContact C-N 3.33Å; R78-I80 PolarHBondContact O-N 2.87Å; R78-I81 PolarHBondContact O-N 3.14Å; R78-E82 HydrophobicContact CG-CG 4.34Å; R78-E82 WeakPolarHBondContact O-CB 3.45Å; R78-E82 WeakPolarHBondContact O-CG 3.07Å; R78-E82 PolarHBondContact O-N 2.8Å
79V89.8Confident85Confident81 Ų8163.1 Ų63.149%0.49133%0.326SS..Hα-helixtrans-61-42.2178.8170.30000111.4N75 N76 D77 K83N75-V79 WeakPolarHBondContact O-CG2 3.47Å; N75-V79 PolarHBondContact O-N 2.84Å; N76-V79 PolarHBondContact O-N 3.11Å; D77-V79 PolarHBondContact O-N 3.13Å; V79-K83 VanDerWaalsContact O-CB 3.27Å; V79-K83 WeakPolarHBondContact O-CB 3.35Å; V79-K83 PolarHBondContact O-N 3.1Å
80I89.5Confident84.3Confident53 Ų5368.5 Ų68.527%0.27236%0.355SS..Hα-helixtrans-61.3-49.7176.2-67.6166.6000109.9N76 D77 R78 K83 F84N76-I80 WeakPolarHBondContact O-CG1 3.41Å; N76-I80 PolarHBondContact O-N 3.38Å; N76-I80 VanDerWaalsContact O-N 3.09Å; D77-I80 PolarHBondContact O-N 3.41Å; R78-I80 VanDerWaalsContact C-N 3.33Å; R78-I80 PolarHBondContact O-N 2.87Å; I80-K83 WeakPolarHBondContact O-CB 3.03Å; I80-K83 PolarHBondContact O-N 3.24Å; I80-F84 HydrophobicContact CG2-CD2 3.9Å; I80-F84 HydrophobicContact CG2-CE2 3.95Å; I80-F84 VanDerWaalsContact O-CD2 3.28Å; I80-F84 WeakPolarHBondContact O-CD2 3.27Å; I80-F84 PolarHBondContact O-N 2.03Å
81I91.9Very high83.3Confident0 Ų071.6 Ų71.60%039%0.387CS..Hα-helixtrans-63.9-47.8-176.7-70.4158.2000111.1W23 I66 I70 D77 R78 K83 F84 E85 T100 Y101 F104W23-I81 HydrophobicContact CH2-CD1 4.11Å; W23-I81 HydrophobicContact CZ2-CD1 4.06Å; I66-I81 HydrophobicContact CD1-CG2 3.93Å; I66-I81 HydrophobicContact CG1-CG2 3.98Å; I70-I81 HydrophobicContact CD1-CB 4.32Å; I70-I81 HydrophobicContact CD1-CD1 3.38Å; I70-I81 HydrophobicContact CD1-CG1 4.44Å; I70-I81 HydrophobicContact CD1-CG2 4.41Å; I70-I81 HydrophobicContact CG1-CD1 4.25Å; D77-I81 HydrophobicContact CB-CD1 4.5Å; D77-I81 WeakPolarHBondContact O-CB 3.46Å; D77-I81 WeakPolarHBondContact O-CD1 3.35Å; D77-I81 VanDerWaalsContact O-CG1 3.31Å; D77-I81 WeakPolarHBondContact O-CG1 3.04Å; D77-I81 PolarHBondContact O-N 2.71Å; R78-I81 PolarHBondContact O-N 3.14Å; I81-K83 VanDerWaalsContact C-N 3.27Å; I81-K83 PolarHBondContact O-N 2.9Å; I81-F84 PolarHBondContact O-N 3.48Å; I81-F84 VanDerWaalsContact O-N 3.11Å; I81-E85 WeakPolarHBondContact O-CG 3.17Å; I81-E85 PolarHBondContact O-N 3.49Å; I81-T100 HydrophobicContact CD1-CG2 4.29Å; I81-T100 HydrophobicContact CG1-CG2 4.48Å; I81-Y101 HydrophobicContact CB-CD2 4.4Å; I81-Y101 HydrophobicContact CG1-CD2 4.27Å; I81-Y101 HydrophobicContact CG2-CD2 4.2Å; I81-Y101 HydrophobicContact CG2-CE2 4.4Å; I81-F104 HydrophobicContact CD1-CB 3.58Å; I81-F104 HydrophobicContact CD1-CD2 4.06Å; I81-F104 HydrophobicContact CD1-CG 3.87Å; I81-F104 HydrophobicContact CG1-CB 3.87Å; I81-F104 HydrophobicContact CG1-CD1 4.46Å; I81-F104 HydrophobicContact CG1-CG 4.08Å; I81-F104 HydrophobicContact CG2-CB 4.47Å; I81-F104 HydrophobicContact CG2-CD1 3.57Å; I81-F104 HydrophobicContact CG2-CD2 4.08Å; I81-F104 HydrophobicContact CG2-CE1 3.71Å; I81-F104 HydrophobicContact CG2-CE2 4.21Å; I81-F104 HydrophobicContact CG2-CG 3.76Å; I81-F104 HydrophobicContact CG2-CZ 4.04Å
82E91.3Very high82.3Confident44 Ų4473.4 Ų73.421%0.20640%0.397CS..Hα-helixtrans-61.6-35.5177.2-73.2-175.7179.900112.5I66 R78 R86I66-E82 HydrophobicContact CG2-CG 4.42Å; R78-E82 HydrophobicContact CG-CG 4.34Å; R78-E82 WeakPolarHBondContact O-CB 3.45Å; R78-E82 WeakPolarHBondContact O-CG 3.07Å; R78-E82 PolarHBondContact O-N 2.8Å; E82-R86 WeakPolarHBondContact O-CG 3.39Å; E82-R86 PolarHBondContact O-N 2.99Å; E82-R86 IonicContact OE2-NH2 2.8Å
83K89.8Confident81.7Confident131 Ų13168.1 Ų68.157%0.5737%0.37SS*.Hα-helixtrans-61.6-48.3173.1179-178.2177-176.80110.6V79 I80 I81 R86 I87V79-K83 VanDerWaalsContact O-CB 3.27Å; V79-K83 WeakPolarHBondContact O-CB 3.35Å; V79-K83 PolarHBondContact O-N 3.1Å; I80-K83 WeakPolarHBondContact O-CB 3.03Å; I80-K83 PolarHBondContact O-N 3.24Å; I81-K83 VanDerWaalsContact C-N 3.27Å; I81-K83 PolarHBondContact O-N 2.9Å; K83-R86 PolarHBondContact O-N 2.86Å; K83-I87 HydrophobicContact CG-CD1 3.79Å; K83-I87 WeakPolarHBondContact O-CD1 3.45Å; K83-I87 WeakPolarHBondContact O-CG1 3.47Å; K83-I87 PolarHBondContact O-N 3.39Å
84F88.2Confident81Confident26 Ų2676.8 Ų76.811%0.11438%0.381CS..Hα-helixtrans-65.6-38.7178.6-84.7-78000112.9I80 I81 R86 I87 Q88 I93 N98 Y101I80-F84 HydrophobicContact CG2-CD2 3.9Å; I80-F84 HydrophobicContact CG2-CE2 3.95Å; I80-F84 VanDerWaalsContact O-CD2 3.28Å; I80-F84 WeakPolarHBondContact O-CD2 3.27Å; I80-F84 PolarHBondContact O-N 2.03Å; I81-F84 PolarHBondContact O-N 3.48Å; I81-F84 VanDerWaalsContact O-N 3.11Å; F84-R86 VanDerWaalsContact C-N 3.34Å; F84-R86 PolarHBondContact O-N 3.44Å; F84-I87 PolarHBondContact O-N 2.85Å; F84-Q88 WeakPolarHBondContact O-CB 3.27Å; F84-Q88 WeakPolarHBondContact O-CG 3.29Å; F84-Q88 PolarHBondContact O-N 2.96Å; F84-I93 HydrophobicContact CD1-CD1 4.14Å; F84-I93 HydrophobicContact CE1-CD1 4.03Å; F84-N98 HydrophobicContact CD2-CB 4.22Å; F84-N98 HydrophobicContact CE1-CB 4.2Å; F84-N98 HydrophobicContact CE2-CB 3.4Å; F84-N98 HydrophobicContact CZ-CB 3.39Å; F84-Y101 HydrophobicContact CB-CD1 4.07Å; F84-Y101 HydrophobicContact CB-CD2 3.43Å; F84-Y101 VanDerWaalsContact CB-CD2 3.43Å; F84-Y101 HydrophobicContact CB-CE1 4.17Å; F84-Y101 HydrophobicContact CB-CE2 3.55Å; F84-Y101 HydrophobicContact CB-CG 3.69Å; F84-Y101 HydrophobicContact CD1-CD1 4.48Å; F84-Y101 HydrophobicContact CD2-CG 4.25Å; F84-Y101 HydrophobicContact CG-CD1 4.26Å; F84-Y101 HydrophobicContact CG-CD2 4.15Å; F84-Y101 AromaticContact CG-CG 3.93Å; F84-Y101 HydrophobicContact CG-CG 3.93Å
85E88.5Confident80.2Confident4 Ų479.9 Ų79.92%0.01940%0.401CS..Hα-helixtrans-57.3-45.4172.7-74.1-64.4138.100112.2R62 I66 I81 R89 Y101R62-E85 WeakPolarHBondContact CD-OE2 3.3Å; R62-E85 IonicContact CZ-OE1 3.69Å; R62-E85 IonicContact CZ-OE2 4Å; R62-E85 VanDerWaalsContact NE-CD 3.27Å; R62-E85 IonicContact NE-OE1 2.63Å; R62-E85 PolarHBondContact NE-OE1 3.3Å; R62-E85 IonicContact NE-OE2 3.96Å; R62-E85 PolarHBondContact NE-OE2 3.12Å; R62-E85 IonicContact NH2-OE1 2.99Å; R62-E85 PolarHBondContact NH2-OE1 2.59Å; R62-E85 IonicContact NH2-OE2 2.68Å; I66-E85 HydrophobicContact CD1-CG 3.83Å; I81-E85 WeakPolarHBondContact O-CG 3.17Å; I81-E85 PolarHBondContact O-N 3.49Å; E85-R89 WeakPolarHBondContact O-CG 3Å; E85-R89 PolarHBondContact O-N 2.93Å; E85-Y101 HydrophobicContact CG-CE2 4.36Å; E85-Y101 PolarHBondContact OE1-OH 3.21Å
86R84.9Confident79.7Confident151 Ų15178.1 Ų78.157%0.5739%0.391SS*.Hα-helixtrans-65.6-40.6177.8-72.4179.7-163.5151.811.6111.9E82 K83 F84 R89 N90E82-R86 WeakPolarHBondContact O-CG 3.39Å; E82-R86 PolarHBondContact O-N 2.99Å; E82-R86 IonicContact OE2-NH2 2.8Å; K83-R86 PolarHBondContact O-N 2.86Å; F84-R86 VanDerWaalsContact C-N 3.34Å; F84-R86 PolarHBondContact O-N 3.44Å; R86-R89 PolarHBondContact O-N 3.43Å; R86-N90 PolarHBondContact O-N 2.95Å
87I82.2Confident79.2Confident44 Ų4478.3 Ų78.323%0.22639%0.392CS..Hα-helixtrans-67.8-40.9-179.1-62.7163.7000111K83 F84 R89 N90 G91 T92 I93K83-I87 HydrophobicContact CG-CD1 3.79Å; K83-I87 WeakPolarHBondContact O-CD1 3.45Å; K83-I87 WeakPolarHBondContact O-CG1 3.47Å; K83-I87 PolarHBondContact O-N 3.39Å; F84-I87 PolarHBondContact O-N 2.85Å; I87-R89 VanDerWaalsContact C-N 3.33Å; I87-R89 PolarHBondContact O-N 3.41Å; I87-N90 PolarHBondContact O-N 2.97Å; I87-N90 VanDerWaalsContact O-N 3.09Å; I87-G91 PolarHBondContact O-N 2.73Å; I87-T92 WeakPolarHBondContact CG2-OG1 3.25Å; I87-T92 PolarHBondContact O-OG1 2.88Å; I87-I93 HydrophobicContact CB-CD1 4.06Å; I87-I93 HydrophobicContact CD1-CD1 4.34Å; I87-I93 HydrophobicContact CG2-CB 4.38Å; I87-I93 HydrophobicContact CG2-CD1 3.28Å; I87-I93 HydrophobicContact CG2-CG1 3.49Å; I87-I93 VanDerWaalsContact CG2-CG1 3.49Å
88Q79.2Confident79.1Confident36 Ų3678.6 Ų78.617%0.16839%0.394CS..Hα-helixtrans-60.2-41.4176.1-78.5-68.3-32.700112.1F54 F84 N90 G91F54-Q88 HydrophobicContact CE1-CB 3.87Å; F54-Q88 HydrophobicContact CZ-CB 4.18Å; F54-Q88 WeakPolarHBondContact CZ-O 3.03Å; F84-Q88 WeakPolarHBondContact O-CB 3.27Å; F84-Q88 WeakPolarHBondContact O-CG 3.29Å; F84-Q88 PolarHBondContact O-N 2.96Å; Q88-N90 PolarHBondContact O-N 3.06Å; Q88-G91 PolarHBondContact O-N 3.17Å
89R75.3Confident78.9Confident92 Ų9281.1 Ų81.135%0.34741%0.414SS..Hα-helixtrans-59.2-31.5174.3-69.4173.8-152.3-1752.5113.3F54 N59 E85 R86 I87 G91F54-R89 HydrophobicContact CD1-CB 4.42Å; F54-R89 HydrophobicContact CD1-CG 3.9Å; N59-R89 WeakPolarHBondContact OD1-CD 3.47Å; N59-R89 PolarHBondContact OD1-NE 2.82Å; E85-R89 WeakPolarHBondContact O-CG 3Å; E85-R89 PolarHBondContact O-N 2.93Å; R86-R89 PolarHBondContact O-N 3.43Å; I87-R89 VanDerWaalsContact C-N 3.33Å; I87-R89 PolarHBondContact O-N 3.41Å; R89-G91 VanDerWaalsContact C-N 3.26Å; R89-G91 PolarHBondContact O-N 2.89Å
90N75Confident78.9Confident125 Ų12578.9 Ų78.967%0.66840%0.401SS*.THydrogen-bonded Turntrans-83.41.8179.1-67.1-8.8000113R86 I87 Q88 T92R86-N90 PolarHBondContact O-N 2.95Å; I87-N90 PolarHBondContact O-N 2.97Å; I87-N90 VanDerWaalsContact O-N 3.09Å; Q88-N90 PolarHBondContact O-N 3.06Å; N90-T92 PolarHBondContact O-N 3.07Å
91G66.7Low78.9Confident67 Ų6776.7 Ų76.769%0.69139%0.389SS*.THydrogen-bonded Turntrans66.81817600000115.2I87 Q88 R89I87-G91 PolarHBondContact O-N 2.73Å; Q88-G91 PolarHBondContact O-N 3.17Å; R89-G91 VanDerWaalsContact C-N 3.26Å; R89-G91 PolarHBondContact O-N 2.89Å
92T60.5Low78.6Confident100 Ų10080.1 Ų80.161%0.61341%0.406SS*.  trans-92.4-14.3-167.5350000114.7I87 N90I87-T92 WeakPolarHBondContact CG2-OG1 3.25Å; I87-T92 PolarHBondContact O-OG1 2.88Å; N90-T92 PolarHBondContact O-N 3.07Å
93I61.7Low78.5Confident46 Ų4679.1 Ų79.124%0.23640%0.402CS..  trans-113.2125.4-177-72.7178000111.2F84 I87 T95 I96F84-I93 HydrophobicContact CD1-CD1 4.14Å; F84-I93 HydrophobicContact CE1-CD1 4.03Å; I87-I93 HydrophobicContact CB-CD1 4.06Å; I87-I93 HydrophobicContact CD1-CD1 4.34Å; I87-I93 HydrophobicContact CG2-CB 4.38Å; I87-I93 HydrophobicContact CG2-CD1 3.28Å; I87-I93 HydrophobicContact CG2-CG1 3.49Å; I87-I93 VanDerWaalsContact CG2-CG1 3.49Å; I93-T95 WeakPolarHBondContact CG2-O 3.46Å; I93-I96 HydrophobicContact CG2-CG1 4.33Å
94R61Low78.6Confident254 Ų25472.9 Ų72.996%0.95838%0.375SS*.SBendtrans-90.4-28167-70-173.9-178.6-164.30.2113.6
95T64.7Low78.6Confident114 Ų11473.6 Ų73.670%0.69938%0.38SS*.  trans-127.5120.9-174.253.70000111.7I93I93-T95 WeakPolarHBondContact CG2-O 3.46Å
96I69.9Low78.6Confident58 Ų5874.5 Ų74.530%0.29739%0.385SS..  trans-94.1112.5175.1-64.4159.6000107.8I93 Y101 M102 L105I93-I96 HydrophobicContact CG2-CG1 4.33Å; I96-Y101 HydrophobicContact CD1-CD1 4.5Å; I96-Y101 HydrophobicContact CD1-CE1 3.94Å; I96-Y101 HydrophobicContact CG1-CE1 4.35Å; I96-Y101 HydrophobicContact CG2-CD1 3.52Å; I96-Y101 HydrophobicContact CG2-CE1 4.08Å; I96-M102 HydrophobicContact CB-SD 4.29Å; I96-M102 HydrophobicContact CG2-CG 4.05Å; I96-M102 HydrophobicContact CG2-SD 3.61Å; I96-L105 HydrophobicContact CD1-CD1 4.38Å
97N74.5Confident78.8Confident136 Ų13667.3 Ų67.373%0.72736%0.358SS*.  trans-114.82.7179.766.9-6.6000113.7V99N97-V99 PolarHBondContact O-N 3.15Å
98N87Confident79.2Confident40 Ų4066.4 Ų66.421%0.21435%0.353CS..  trans-85.4118-177.2-175.5-77.3000111F84 T100 Y101 M102F84-N98 HydrophobicContact CD2-CB 4.22Å; F84-N98 HydrophobicContact CE1-CB 4.2Å; F84-N98 HydrophobicContact CE2-CB 3.4Å; F84-N98 HydrophobicContact CZ-CB 3.39Å; N98-T100 PolarHBondContact O-N 3.02Å; N98-T100 WeakPolarHBondContact OD1-CB 3.41Å; N98-T100 PolarHBondContact OD1-N 2.84Å; N98-Y101 PolarHBondContact O-N 2.64Å; N98-Y101 PolarHBondContact OD1-N 2.79Å; N98-M102 WeakPolarHBondContact O-CG 3.39Å; N98-M102 PolarHBondContact O-N 3.33Å
99V85.9Confident79.6Confident101 Ų10165.7 Ų65.761%0.61235%0.352SS*.Hα-helixtrans-58.2-45.2-177.8179.70000111.8N97 Y101 M102 N103N97-V99 PolarHBondContact O-N 3.15Å; V99-Y101 PolarHBondContact O-N 3.49Å; V99-M102 PolarHBondContact O-N 3.31Å; V99-N103 VanDerWaalsContact O-CG 3.25Å; V99-N103 PolarHBondContact O-N 3Å; V99-N103 PolarHBondContact O-OD1 2.03Å
100T88.6Confident80.2Confident34 Ų3461.3 Ų61.321%0.20934%0.335CS..Hα-helixtrans-60.8-43.8179.6-51.30000111.9D77 I81 N98 N103 F104D77-T100 HydrophobicContact CB-CG2 3.93Å; I81-T100 HydrophobicContact CD1-CG2 4.29Å; I81-T100 HydrophobicContact CG1-CG2 4.48Å; N98-T100 PolarHBondContact O-N 3.02Å; N98-T100 WeakPolarHBondContact OD1-CB 3.41Å; N98-T100 PolarHBondContact OD1-N 2.84Å; T100-N103 PolarHBondContact O-N 3.21Å; T100-F104 PolarHBondContact O-N 2.95Å
101Y90Very high80.9Confident7 Ų755.3 Ų55.33%0.02730%0.303CS..Hα-helixtrans-69.8-36.9177.5-173.9-105.7000112.2I81 F84 E85 I96 N98 V99 F104 L105I81-Y101 HydrophobicContact CB-CD2 4.4Å; I81-Y101 HydrophobicContact CG1-CD2 4.27Å; I81-Y101 HydrophobicContact CG2-CD2 4.2Å; I81-Y101 HydrophobicContact CG2-CE2 4.4Å; F84-Y101 HydrophobicContact CB-CD1 4.07Å; F84-Y101 HydrophobicContact CB-CD2 3.43Å; F84-Y101 VanDerWaalsContact CB-CD2 3.43Å; F84-Y101 HydrophobicContact CB-CE1 4.17Å; F84-Y101 HydrophobicContact CB-CE2 3.55Å; F84-Y101 HydrophobicContact CB-CG 3.69Å; F84-Y101 HydrophobicContact CD1-CD1 4.48Å; F84-Y101 HydrophobicContact CD2-CG 4.25Å; F84-Y101 HydrophobicContact CG-CD1 4.26Å; F84-Y101 HydrophobicContact CG-CD2 4.15Å; F84-Y101 AromaticContact CG-CG 3.93Å; F84-Y101 HydrophobicContact CG-CG 3.93Å; E85-Y101 HydrophobicContact CG-CE2 4.36Å; E85-Y101 PolarHBondContact OE1-OH 3.21Å; I96-Y101 HydrophobicContact CD1-CD1 4.5Å; I96-Y101 HydrophobicContact CD1-CE1 3.94Å; I96-Y101 HydrophobicContact CG1-CE1 4.35Å; I96-Y101 HydrophobicContact CG2-CD1 3.52Å; I96-Y101 HydrophobicContact CG2-CE1 4.08Å; N98-Y101 PolarHBondContact O-N 2.64Å; N98-Y101 PolarHBondContact OD1-N 2.79Å; V99-Y101 PolarHBondContact O-N 3.49Å; Y101-F104 HydrophobicContact CD2-CD1 4.1Å; Y101-F104 HydrophobicContact CE2-CD1 4.03Å; Y101-F104 HydrophobicContact CE2-CE1 4.4Å; Y101-F104 WeakPolarHBondContact O-CB 3.14Å; Y101-F104 PolarHBondContact O-N 3.29Å; Y101-L105 HydrophobicContact CD1-CD1 4.05Å; Y101-L105 HydrophobicContact CD1-CG 4.26Å; Y101-L105 HydrophobicContact CE1-CD1 3.7Å; Y101-L105 HydrophobicContact CE1-CD2 4.18Å; Y101-L105 HydrophobicContact CE1-CG 3.98Å; Y101-L105 WeakPolarHBondContact O-CG 3.4Å; Y101-L105 PolarHBondContact O-N 2.81Å
102M87Confident81.8Confident72 Ų7252.7 Ų52.736%0.35528%0.275SS..Hα-helixtrans-62.8-42.7172.5-72.1-59.3-66.900111.9I96 N98 V99 F104 L105 N106I96-M102 HydrophobicContact CB-SD 4.29Å; I96-M102 HydrophobicContact CG2-CG 4.05Å; I96-M102 HydrophobicContact CG2-SD 3.61Å; N98-M102 WeakPolarHBondContact O-CG 3.39Å; N98-M102 PolarHBondContact O-N 3.33Å; V99-M102 PolarHBondContact O-N 3.31Å; M102-F104 VanDerWaalsContact C-N 3.29Å; M102-F104 PolarHBondContact O-N 3.37Å; M102-L105 PolarHBondContact O-N 2.88Å; M102-L105 HydrophobicContact SD-CD1 4.17Å; M102-N106 PolarHBondContact O-N 3.45Å; M102-N106 PolarHBondContact O-ND2 2.97Å; M102-N106 VanDerWaalsContact O-ND2 3.1Å
103N88.3Confident83.2Confident23 Ų2348.1 Ų48.112%0.12325%0.247CC..Hα-helixtrans-60.5-40.7174.1-69.4-10.9000111.3T14 F24 V99 T100 N106 A107T14-N103 PolarHBondContact O-OD1 3.45Å; F24-N103 HydrophobicContact CD2-CB 4.23Å; F24-N103 HydrophobicContact CG-CB 4.31Å; V99-N103 VanDerWaalsContact O-CG 3.25Å; V99-N103 PolarHBondContact O-N 3Å; V99-N103 PolarHBondContact O-OD1 2.03Å; T100-N103 PolarHBondContact O-N 3.21Å; N103-N106 PolarHBondContact O-N 3.05Å; N103-A107 WeakPolarHBondContact O-CB 3.07Å; N103-A107 PolarHBondContact O-N 2.82Å
104F91Very high84.4Confident0 Ų047.5 Ų47.50%024%0.242CC..Hα-helixtrans-60.6-46.3173169.5-107.1000112.9W23 I66 L69 I81 T100 Y101 M102 N106 A107 L108W23-F104 HydrophobicContact CH2-CB 3.94Å; W23-F104 HydrophobicContact CH2-CD2 4.32Å; I66-F104 HydrophobicContact CD1-CZ 4.2Å; I66-F104 HydrophobicContact CG1-CE1 4.28Å; I66-F104 HydrophobicContact CG1-CE2 3.67Å; I66-F104 HydrophobicContact CG1-CZ 3.41Å; I66-F104 VanDerWaalsContact CG1-CZ 3.41Å; L69-F104 HydrophobicContact CD1-CD2 4.19Å; L69-F104 HydrophobicContact CD1-CE2 3.98Å; I81-F104 HydrophobicContact CD1-CB 3.58Å; I81-F104 HydrophobicContact CD1-CD2 4.06Å; I81-F104 HydrophobicContact CD1-CG 3.87Å; I81-F104 HydrophobicContact CG1-CB 3.87Å; I81-F104 HydrophobicContact CG1-CD1 4.46Å; I81-F104 HydrophobicContact CG1-CG 4.08Å; I81-F104 HydrophobicContact CG2-CB 4.47Å; I81-F104 HydrophobicContact CG2-CD1 3.57Å; I81-F104 HydrophobicContact CG2-CD2 4.08Å; I81-F104 HydrophobicContact CG2-CE1 3.71Å; I81-F104 HydrophobicContact CG2-CE2 4.21Å; I81-F104 HydrophobicContact CG2-CG 3.76Å; I81-F104 HydrophobicContact CG2-CZ 4.04Å; T100-F104 PolarHBondContact O-N 2.95Å; Y101-F104 HydrophobicContact CD2-CD1 4.1Å; Y101-F104 HydrophobicContact CE2-CD1 4.03Å; Y101-F104 HydrophobicContact CE2-CE1 4.4Å; Y101-F104 WeakPolarHBondContact O-CB 3.14Å; Y101-F104 PolarHBondContact O-N 3.29Å; M102-F104 VanDerWaalsContact C-N 3.29Å; M102-F104 PolarHBondContact O-N 3.37Å; F104-N106 VanDerWaalsContact C-N 3.33Å; F104-N106 PolarHBondContact O-N 2.8Å; F104-A107 PolarHBondContact O-N 3.19Å; F104-L108 HydrophobicContact CE1-CD1 4.06Å; F104-L108 HydrophobicContact CE2-CD1 4.24Å; F104-L108 HydrophobicContact CZ-CD1 3.61Å; F104-L108 VanDerWaalsContact O-CB 3.23Å; F104-L108 WeakPolarHBondContact O-CB 3.21Å; F104-L108 PolarHBondContact O-N 2.9Å
105L88.9Confident85.6Confident42 Ų4235.4 Ų35.422%0.2220%0.196CC..Hα-helixtrans-61.1-43.6178.6-68.7-179.9000111.9I96 Y101 M102 L108 C109I96-L105 HydrophobicContact CD1-CD1 4.38Å; Y101-L105 HydrophobicContact CD1-CD1 4.05Å; Y101-L105 HydrophobicContact CD1-CG 4.26Å; Y101-L105 HydrophobicContact CE1-CD1 3.7Å; Y101-L105 HydrophobicContact CE1-CD2 4.18Å; Y101-L105 HydrophobicContact CE1-CG 3.98Å; Y101-L105 WeakPolarHBondContact O-CG 3.4Å; Y101-L105 PolarHBondContact O-N 2.81Å; M102-L105 PolarHBondContact O-N 2.88Å; M102-L105 HydrophobicContact SD-CD1 4.17Å; L105-L108 PolarHBondContact O-N 3.02Å; L105-C109 WeakPolarHBondContact O-CB 3.19Å; L105-C109 PolarHBondContact O-N 3.23Å
106N88.2Confident86.5Confident22 Ų2231 Ų3112%0.11817%0.167CC..Hα-helixtrans-68.7-41.5178.7-65.8-33.8000111.7M1 T14 L15 M102 N103 F104 C109 L110M1-N106 HydrophobicContact SD-CB 3.76Å; M1-N106 PolarHBondContact SD-OD1 3.46Å; T14-N106 WeakPolarHBondContact CG2-ND2 3.03Å; L15-N106 HydrophobicContact CD1-CB 4.07Å; L15-N106 HydrophobicContact CD2-CB 4.18Å; L15-N106 HydrophobicContact CG-CB 4.26Å; M102-N106 PolarHBondContact O-N 3.45Å; M102-N106 PolarHBondContact O-ND2 2.97Å; M102-N106 VanDerWaalsContact O-ND2 3.1Å; N103-N106 PolarHBondContact O-N 3.05Å; F104-N106 VanDerWaalsContact C-N 3.33Å; F104-N106 PolarHBondContact O-N 2.8Å; N106-C109 PolarHBondContact O-N 3.41Å; N106-L110 WeakPolarHBondContact O-CB 3.48Å; N106-L110 PolarHBondContact O-N 2.9Å
107A89.8Confident87.4Confident0 Ų030.5 Ų30.50%016%0.162CC..Hα-helixtrans-61.8-45.8174.700000111.7W23 F24 L29 L69 N103 F104 L110 T111W23-A107 HydrophobicContact CZ3-CB 3.95Å; F24-A107 HydrophobicContact CB-CB 4.07Å; L29-A107 HydrophobicContact CD1-CB 3.73Å; L29-A107 HydrophobicContact CD2-CB 3.8Å; L29-A107 HydrophobicContact CG-CB 4.44Å; L69-A107 HydrophobicContact CD1-CB 4.39Å; N103-A107 WeakPolarHBondContact O-CB 3.07Å; N103-A107 PolarHBondContact O-N 2.82Å; F104-A107 PolarHBondContact O-N 3.19Å; A107-L110 PolarHBondContact O-N 3.49Å; A107-T111 VanDerWaalsContact O-CB 3.24Å; A107-T111 WeakPolarHBondContact O-CB 3.45Å; A107-T111 PolarHBondContact O-N 3.05Å; A107-T111 PolarHBondContact O-OG1 2.83Å; A107-T111 VanDerWaalsContact O-OG1 3.11Å
108L89.7Confident88Confident25 Ų2527.7 Ų27.713%0.13114%0.144CC..Hα-helixtrans-58.6-49.6175.5-176.8157.8000111F65 L69 F104 L105 A112F65-L108 HydrophobicContact CB-CD1 3.72Å; F65-L108 HydrophobicContact CB-CG 4.09Å; F65-L108 HydrophobicContact CD1-CG 4.13Å; F65-L108 HydrophobicContact CD2-CD1 4.37Å; F65-L108 HydrophobicContact CD2-CG 4.38Å; F65-L108 HydrophobicContact CG-CD1 4.03Å; F65-L108 HydrophobicContact CG-CG 3.95Å; L69-L108 HydrophobicContact CD1-CB 4Å; F104-L108 HydrophobicContact CE1-CD1 4.06Å; F104-L108 HydrophobicContact CE2-CD1 4.24Å; F104-L108 HydrophobicContact CZ-CD1 3.61Å; F104-L108 VanDerWaalsContact O-CB 3.23Å; F104-L108 WeakPolarHBondContact O-CB 3.21Å; F104-L108 PolarHBondContact O-N 2.9Å; L105-L108 PolarHBondContact O-N 3.02Å; L108-A112 WeakPolarHBondContact O-CB 3.49Å; L108-A112 PolarHBondContact O-N 2.04Å
109C88.3Confident87.7Confident21 Ų2130.1 Ų30.114%0.14215%0.153CC..Hα-helixtrans-60.8-49.7179.2-175.30000111.5L105 N106 C113L105-C109 WeakPolarHBondContact O-CB 3.19Å; L105-C109 PolarHBondContact O-N 3.23Å; N106-C109 PolarHBondContact O-N 3.41Å; C109-C113 VanDerWaalsContact O-CB 3.28Å; C109-C113 WeakPolarHBondContact O-CB 3.37Å; C109-C113 PolarHBondContact O-N 3.01Å; C109-C113 PolarHBondContact O-SG 3.22Å
110L88.7Confident87.6Confident0 Ų032.5 Ų32.50%016%0.162CC..Hα-helixtrans-60.3-51.2179.7-175.870.8000111.5F6 L11 L15 I26 L29 T30 N106 A107 C113 Y114 I151 F152F6-L110 HydrophobicContact CD1-CD1 3.51Å; F6-L110 HydrophobicContact CE1-CB 4.01Å; F6-L110 HydrophobicContact CE1-CD1 3.72Å; F6-L110 HydrophobicContact CG-CD1 3.96Å; F6-L110 HydrophobicContact CZ-CD1 4.3Å; L11-L110 HydrophobicContact CD2-CD2 4.41Å; L15-L110 HydrophobicContact CD1-CD2 4.06Å; I26-L110 HydrophobicContact CG1-CD2 4.41Å; L29-L110 HydrophobicContact CB-CD2 4.12Å; L29-L110 HydrophobicContact CD1-CD2 3.87Å; T30-L110 HydrophobicContact CG2-CD2 4.49Å; N106-L110 WeakPolarHBondContact O-CB 3.48Å; N106-L110 PolarHBondContact O-N 2.9Å; A107-L110 PolarHBondContact O-N 3.49Å; L110-C113 PolarHBondContact O-N 3.15Å; L110-Y114 VanDerWaalsContact O-CB 3.24Å; L110-Y114 WeakPolarHBondContact O-CB 3.31Å; L110-Y114 PolarHBondContact O-N 3.48Å; L110-I151 HydrophobicContact CD1-CD1 3.53Å; L110-I151 HydrophobicContact CG-CD1 4.42Å; L110-F152 HydrophobicContact CD1-CE1 4.13Å
111T88.4Confident87.2Confident0 Ų034 Ų340%017%0.169CC..Hα-helixtrans-64.3-44.2-178.7-68.60000112.3L29 L38 Y68 L69 A107 C113 S115L29-T111 VanDerWaalsContact CD2-OG1 3.23Å; L29-T111 WeakPolarHBondContact CD2-OG1 3Å; L38-T111 HydrophobicContact CD1-CG2 3.44Å; L38-T111 VanDerWaalsContact CD1-CG2 3.44Å; L38-T111 HydrophobicContact CD2-CG2 3.76Å; L38-T111 HydrophobicContact CG-CG2 4.2Å; Y68-T111 HydrophobicContact CD1-CG2 4.36Å; Y68-T111 HydrophobicContact CE1-CG2 3.75Å; L69-T111 HydrophobicContact CD2-CG2 4.07Å; A107-T111 VanDerWaalsContact O-CB 3.24Å; A107-T111 WeakPolarHBondContact O-CB 3.45Å; A107-T111 PolarHBondContact O-N 3.05Å; A107-T111 PolarHBondContact O-OG1 2.83Å; A107-T111 VanDerWaalsContact O-OG1 3.11Å; T111-C113 VanDerWaalsContact C-N 3.33Å; T111-C113 PolarHBondContact O-N 3.36Å; T111-S115 VanDerWaalsContact O-CB 3.23Å; T111-S115 WeakPolarHBondContact O-CB 3.37Å; T111-S115 PolarHBondContact O-N 3.34Å
112A86.4Confident86.5Confident12 Ų1240.6 Ų40.610%0.09920%0.2CC..Hα-helixtrans-61.3-45.2177.900000110.7F65 L108 S115 R116F65-A112 HydrophobicContact CE1-CB 3.98Å; F65-A112 HydrophobicContact CZ-CB 3.72Å; L108-A112 WeakPolarHBondContact O-CB 3.49Å; L108-A112 PolarHBondContact O-N 2.04Å; A112-S115 PolarHBondContact O-N 2.91Å; A112-R116 WeakPolarHBondContact O-CG 3.3Å; A112-R116 PolarHBondContact O-N 3.2Å
113C88.4Confident85.9Confident3 Ų338.1 Ų38.12%0.0219%0.189CC..Hα-helixtrans-71.5-42.1-178.8-67.70000113F6 C109 L110 T111 S115 R116 Y117 C131 F133F6-C113 HydrophobicContact CE2-CB 3.83Å; F6-C113 HydrophobicContact CZ-CB 3.91Å; C109-C113 VanDerWaalsContact O-CB 3.28Å; C109-C113 WeakPolarHBondContact O-CB 3.37Å; C109-C113 PolarHBondContact O-N 3.01Å; C109-C113 PolarHBondContact O-SG 3.22Å; L110-C113 PolarHBondContact O-N 3.15Å; T111-C113 VanDerWaalsContact C-N 3.33Å; T111-C113 PolarHBondContact O-N 3.36Å; C113-S115 VanDerWaalsContact C-N 3.3Å; C113-S115 PolarHBondContact O-N 3.29Å; C113-R116 PolarHBondContact O-N 3.26Å; C113-Y117 PolarHBondContact O-N 2.79Å; C113-C131 WeakPolarHBondContact CA-SG 3.43Å; C113-C131 HydrophobicContact CB-CB 3.7Å; C113-C131 WeakPolarHBondContact CB-SG 3.18Å; C113-C131 WeakPolarHBondContact SG-CA 3.14Å; C113-C131 WeakPolarHBondContact SG-CB 3.48Å; C113-C131 CovalentContact SG-SG 2.05Å; C113-C131 PolarHBondContact SG-SG 3.44Å; C113-F133 HydrophobicContact CB-CE1 3.91Å; C113-F133 VanDerWaalsContact O-CE1 3.3Å; C113-F133 WeakPolarHBondContact O-CE1 3.15Å; C113-F133 WeakPolarHBondContact O-CZ 3.47Å
114Y88.6Confident85Confident33 Ų3340.2 Ų40.213%0.12920%0.2CC..Hα-helixtrans-56.8-45.5173-173.8-110.2000111.9T30 L35 L110 Y117 Q118 I151T30-Y114 HydrophobicContact CG2-CD1 4.36Å; T30-Y114 HydrophobicContact CG2-CD2 4.1Å; T30-Y114 HydrophobicContact CG2-CE2 4.33Å; T30-Y114 HydrophobicContact CG2-CG 4.11Å; T30-Y114 VanDerWaalsContact O-CE1 3.31Å; T30-Y114 WeakPolarHBondContact O-CE1 3.44Å; T30-Y114 PolarHBondContact O-OH 3.44Å; L35-Y114 HydrophobicContact CD1-CD1 3.68Å; L35-Y114 HydrophobicContact CD1-CE1 3.84Å; L110-Y114 VanDerWaalsContact O-CB 3.24Å; L110-Y114 WeakPolarHBondContact O-CB 3.31Å; L110-Y114 PolarHBondContact O-N 3.48Å; Y114-Y117 PolarHBondContact O-N 3.38Å; Y114-Q118 HydrophobicContact CD1-CG 4.28Å; Y114-Q118 HydrophobicContact CE1-CG 3.91Å; Y114-Q118 HydrophobicContact CE2-CG 4.38Å; Y114-Q118 WeakPolarHBondContact O-CG 2.97Å; Y114-Q118 PolarHBondContact O-N 3.04Å; Y114-Q118 PolarHBondContact OH-NE2 2.87Å; Y114-I151 HydrophobicContact CD2-CD1 3.77Å; Y114-I151 HydrophobicContact CD2-CG1 4.06Å; Y114-I151 HydrophobicContact CD2-CG2 4.48Å; Y114-I151 HydrophobicContact CG-CD1 4.21Å
115S84.6Confident83.9Confident0 Ų041.3 Ų41.30%021%0.205CC..Hα-helixtrans-65.2-39.3178.6178.60000112.7H42 T111 A112 C113 Q118 K119H42-S115 PolarHBondContact CD2-OG 3.05Å; H42-S115 WeakPolarHBondContact NE2-CB 3.33Å; H42-S115 PolarHBondContact NE2-OG 3.42Å; T111-S115 VanDerWaalsContact O-CB 3.23Å; T111-S115 WeakPolarHBondContact O-CB 3.37Å; T111-S115 PolarHBondContact O-N 3.34Å; A112-S115 PolarHBondContact O-N 2.91Å; C113-S115 VanDerWaalsContact C-N 3.3Å; C113-S115 PolarHBondContact O-N 3.29Å; S115-Q118 PolarHBondContact O-N 3.04Å; S115-K119 WeakPolarHBondContact O-CG 3.03Å; S115-K119 PolarHBondContact O-N 2.04Å
116R85.3Confident82.7Confident21 Ų2143 Ų438%0.07922%0.215CC..Hα-helixtrans-62.9-44.9173.7-73.2-170.572.472-5.1112.2A112 C113 K119 N120 L121 E122 F133A112-R116 WeakPolarHBondContact O-CG 3.3Å; A112-R116 PolarHBondContact O-N 3.2Å; C113-R116 PolarHBondContact O-N 3.26Å; R116-K119 CarbonylContact O-C 3.58Å; R116-K119 PolarHBondContact O-N 2.8Å; R116-K119 VanDerWaalsContact O-N 3.11Å; R116-N120 PolarHBondContact O-N 2.8Å; R116-N120 VanDerWaalsContact O-N 3.16Å; R116-L121 HydrophobicContact CB-CB 4.21Å; R116-L121 HydrophobicContact CG-CB 4.43Å; R116-L121 HydrophobicContact CG-CD1 4.32Å; R116-L121 PolarHBondContact O-N 3.17Å; R116-E122 PolarHBondContact NE-O 3.33Å; R116-E122 PolarHBondContact NH2-O 2.96Å; R116-F133 HydrophobicContact CB-CZ 4.06Å
117Y87.4Confident81.3Confident49 Ų4948.6 Ų48.619%0.19224%0.244CC..Hα-helixtrans-58.4-49.2176.6171.8-100.5000111.2C113 Y114 K119 N120 N148 Y149 G150 I151C113-Y117 PolarHBondContact O-N 2.79Å; Y114-Y117 PolarHBondContact O-N 3.38Å; Y117-K119 PolarHBondContact O-N 2.88Å; Y117-K119 VanDerWaalsContact O-N 3.07Å; Y117-N120 PolarHBondContact O-N 3.21Å; Y117-N120 PolarHBondContact O-OD1 2.7Å; Y117-N148 HydrophobicContact CD2-CB 4.47Å; Y117-N148 HydrophobicContact CE2-CB 3.93Å; Y117-Y149 VanDerWaalsContact OH-CA 3.32Å; Y117-Y149 WeakPolarHBondContact OH-CA 3.26Å; Y117-Y149 PolarHBondContact OH-O 3.33Å; Y117-G150 VanDerWaalsContact CZ-CA 3.45Å; Y117-G150 PolarHBondContact OH-N 3.27Å; Y117-I151 VanDerWaalsContact CB-CG2 3.44Å; Y117-I151 HydrophobicContact CD1-CG2 4.18Å; Y117-I151 HydrophobicContact CD2-CG2 4.44Å; Y117-I151 HydrophobicContact CG-CG2 3.76Å
118Q86.6Confident80Confident77 Ų7752.9 Ų52.936%0.3626%0.264SS..Hα-helixtrans-59.6-21.8177-74.3-67-26.300114L35 Y114 S115L35-Q118 HydrophobicContact CD1-CG 4.49Å; L35-Q118 HydrophobicContact CD2-CB 3.57Å; L35-Q118 HydrophobicContact CD2-CG 3.97Å; Y114-Q118 HydrophobicContact CD1-CG 4.28Å; Y114-Q118 HydrophobicContact CE1-CG 3.91Å; Y114-Q118 HydrophobicContact CE2-CG 4.38Å; Y114-Q118 WeakPolarHBondContact O-CG 2.97Å; Y114-Q118 PolarHBondContact O-N 3.04Å; Y114-Q118 PolarHBondContact OH-NE2 2.87Å; S115-Q118 PolarHBondContact O-N 3.04Å
119K82.2Confident78.9Confident91 Ų9153.6 Ų53.640%0.39627%0.267SS..THydrogen-bonded Turntrans-101.26.6177.4-67.6-59.3-172.3-174.30113.6M39 S115 R116 Y117 L121M39-K119 VanDerWaalsContact SD-CE 3.59Å; M39-K119 PolarHBondContact SD-NZ 2.03Å; S115-K119 WeakPolarHBondContact O-CG 3.03Å; S115-K119 PolarHBondContact O-N 2.04Å; R116-K119 CarbonylContact O-C 3.58Å; R116-K119 PolarHBondContact O-N 2.8Å; R116-K119 VanDerWaalsContact O-N 3.11Å; Y117-K119 PolarHBondContact O-N 2.88Å; Y117-K119 VanDerWaalsContact O-N 3.07Å; K119-L121 HydrophobicContact CB-CD1 3.89Å; K119-L121 HydrophobicContact CB-CG 3.71Å; K119-L121 PolarHBondContact O-N 3.35Å
120N83.4Confident78.2Confident150 Ų15055.5 Ų55.580%0.80228%0.278SS*.THydrogen-bonded Turntrans51.135.1-174.6-63-29.8000112.7R116 Y117R116-N120 PolarHBondContact O-N 2.8Å; R116-N120 VanDerWaalsContact O-N 3.16Å; Y117-N120 PolarHBondContact O-N 3.21Å; Y117-N120 PolarHBondContact O-OD1 2.7Å
121L79Confident78.1Confident67 Ų6755.5 Ų55.535%0.35128%0.278SS..  trans-85152.5177-60.3174.2000110.3R116 K119R116-L121 HydrophobicContact CB-CB 4.21Å; R116-L121 HydrophobicContact CG-CB 4.43Å; R116-L121 HydrophobicContact CG-CD1 4.32Å; R116-L121 PolarHBondContact O-N 3.17Å; K119-L121 HydrophobicContact CB-CD1 3.89Å; K119-L121 HydrophobicContact CB-CG 3.71Å; K119-L121 PolarHBondContact O-N 3.35Å
122E77.2Confident78Confident145 Ų14555.5 Ų55.568%0.67828%0.279SS*.  trans-55.7141.7-178.7-69.7-175.6159.200112.8R116 I124R116-E122 PolarHBondContact NE-O 3.33Å; R116-E122 PolarHBondContact NH2-O 2.96Å; E122-I124 PolarHBondContact O-N 3.3Å
123P73.2Confident78.1Confident20 Ų2055.2 Ų55.213%0.1328%0.275CS..SBendtrans-63.1-27.7178.821.2-30.3000113.3C131 F133 V136 F143P123-C131 WeakPolarHBondContact O-CB 3.46Å; P123-C131 PolarHBondContact O-N 3.16Å; P123-F133 HydrophobicContact CB-CD2 3.52Å; P123-F133 HydrophobicContact CB-CE2 3.91Å; P123-F133 HydrophobicContact CB-CG 4.19Å; P123-F133 HydrophobicContact CG-CD2 4.37Å; P123-V136 HydrophobicContact CB-CG2 3.79Å; P123-V136 HydrophobicContact CG-CG2 3.89Å; P123-F143 HydrophobicContact CG-CE2 4.34Å; P123-F143 HydrophobicContact CG-CZ 4.15Å
124I69.9Low78.2Confident67 Ų6755 Ų5534%0.34427%0.274SS..EExtended strand (participates in β ladder)trans-121.9129.8-174.7-57.4171.7000108.5E122 I129E122-I124 PolarHBondContact O-N 3.3Å; I124-I129 VanDerWaalsContact CA-O 3.28Å; I124-I129 WeakPolarHBondContact CA-O 3.18Å
125I66.9Low78.3Confident22 Ų2253.7 Ų53.711%0.11327%0.269CS..EExtended strand (participates in β ladder)trans-116.3122.7170.3-52.2172.2000109.3N127 H128 I129I125-N127 PolarHBondContact O-N 3.07Å; I125-H128 PolarHBondContact O-N 2.75Å; I125-I129 HydrophobicContact CB-CB 4.33Å; I125-I129 HydrophobicContact CD1-CB 4.35Å; I125-I129 HydrophobicContact CD1-CD1 4.01Å; I125-I129 HydrophobicContact CG1-CB 4.45Å; I125-I129 PolarHBondContact N-O 3.11Å; I125-I129 VanDerWaalsContact N-O 3.12Å; I125-I129 PolarHBondContact O-N 3.1Å
126N64Low78.4Confident79 Ų7956.1 Ų56.142%0.42228%0.284SS..THydrogen-bonded Turntrans42.439.4169.1-64.7-24.1000113.7H128N126-H128 VanDerWaalsContact C-N 3.29Å; N126-H128 PolarHBondContact O-CD2 2.72Å; N126-H128 PolarHBondContact O-N 3.39Å
127N59.2Low78.5Confident139 Ų13957.3 Ų57.374%0.74329%0.292SS*.THydrogen-bonded Turntrans60.618.8-177.8-61.2-11.7000117.1I125I125-N127 PolarHBondContact O-N 3.07Å
128H63.5Low78.6Confident90 Ų9056 Ų5642%0.41729%0.287SS..THydrogen-bonded Turntrans-128.7-32.5-173.1-65.2-29.4000115.7I51 I125 N126I51-H128 PolarHBondContact O-CD2 3.33Å; I125-H128 PolarHBondContact O-N 2.75Å; N126-H128 VanDerWaalsContact C-N 3.29Å; N126-H128 PolarHBondContact O-CD2 2.72Å; N126-H128 PolarHBondContact O-N 3.39Å
129I66.1Low78.7Confident39 Ų3959.8 Ų59.820%0.231%0.31CS..EExtended strand (participates in β ladder)trans-103.8102.2171-62.2176.6000106.8L47 I51 I124 I125L47-I129 HydrophobicContact CD2-CD1 3.39Å; I51-I129 HydrophobicContact CD1-CD1 3.86Å; I51-I129 HydrophobicContact CD1-CG1 4.42Å; I124-I129 VanDerWaalsContact CA-O 3.28Å; I124-I129 WeakPolarHBondContact CA-O 3.18Å; I125-I129 HydrophobicContact CB-CB 4.33Å; I125-I129 HydrophobicContact CD1-CB 4.35Å; I125-I129 HydrophobicContact CD1-CD1 4.01Å; I125-I129 HydrophobicContact CG1-CB 4.45Å; I125-I129 PolarHBondContact N-O 3.11Å; I125-I129 VanDerWaalsContact N-O 3.12Å; I125-I129 PolarHBondContact O-N 3.1Å
130V73.3Confident79Confident61 Ų6160 Ų6037%0.3732%0.316SS..EExtended strand (participates in β ladder)trans-102.7111.1176.2-177.50000107.8L2L2-V130 WeakPolarHBondContact CD2-O 3.22Å
131C86.6Confident79.5Confident0 Ų053.7 Ų53.70%028%0.283CS..  trans-91.6123.8167.4-75.10000109.5C113 P123 F133C113-C131 WeakPolarHBondContact CA-SG 3.43Å; C113-C131 HydrophobicContact CB-CB 3.7Å; C113-C131 WeakPolarHBondContact CB-SG 3.18Å; C113-C131 WeakPolarHBondContact SG-CA 3.14Å; C113-C131 WeakPolarHBondContact SG-CB 3.48Å; C113-C131 CovalentContact SG-SG 2.05Å; C113-C131 PolarHBondContact SG-SG 3.44Å; P123-C131 WeakPolarHBondContact O-CB 3.46Å; P123-C131 PolarHBondContact O-N 3.16Å; C131-F133 HydrophobicContact CB-CD1 3.77Å; C131-F133 HydrophobicContact CB-CE1 3.53Å; C131-F133 HydrophobicContact CB-CE2 4.38Å; C131-F133 HydrophobicContact CB-CG 4.31Å; C131-F133 HydrophobicContact CB-CZ 3.84Å; C131-F133 PolarHBondContact O-N 3.22Å
132P86.7Confident80.1Confident1 Ų154.5 Ų54.51%0.00629%0.292CS..  trans-79.860.4-179.636-37.8000109.7F6 I137F6-P132 HydrophobicContact CD2-CG 3.86Å; F6-P132 HydrophobicContact CE2-CG 3.51Å; F6-P132 HydrophobicContact CZ-CG 3.9Å; P132-I137 HydrophobicContact CB-CG2 3.81Å
133F88.9Confident80.6Confident5 Ų553.3 Ų53.32%0.02229%0.285CS..  trans-62.1146.4174.3-69.2-13.7000109.3C113 R116 P123 C131 C135 V136 I137 I151C113-F133 HydrophobicContact CB-CE1 3.91Å; C113-F133 VanDerWaalsContact O-CE1 3.3Å; C113-F133 WeakPolarHBondContact O-CE1 3.15Å; C113-F133 WeakPolarHBondContact O-CZ 3.47Å; R116-F133 HydrophobicContact CB-CZ 4.06Å; P123-F133 HydrophobicContact CB-CD2 3.52Å; P123-F133 HydrophobicContact CB-CE2 3.91Å; P123-F133 HydrophobicContact CB-CG 4.19Å; P123-F133 HydrophobicContact CG-CD2 4.37Å; C131-F133 HydrophobicContact CB-CD1 3.77Å; C131-F133 HydrophobicContact CB-CE1 3.53Å; C131-F133 HydrophobicContact CB-CE2 4.38Å; C131-F133 HydrophobicContact CB-CG 4.31Å; C131-F133 HydrophobicContact CB-CZ 3.84Å; C131-F133 PolarHBondContact O-N 3.22Å; F133-C135 VanDerWaalsContact C-N 3.29Å; F133-C135 PolarHBondContact O-N 3.45Å; F133-C135 VanDerWaalsContact O-N 3.14Å; F133-V136 HydrophobicContact CB-CG2 4.26Å; F133-V136 WeakPolarHBondContact O-CA 3.38Å; F133-V136 WeakPolarHBondContact O-CB 3.34Å; F133-V136 PolarHBondContact O-N 3.09Å; F133-I137 PolarHBondContact O-N 3.38Å; F133-I151 HydrophobicContact CD1-CB 4.42Å; F133-I151 HydrophobicContact CD1-CG2 3.93Å; F133-I151 HydrophobicContact CE1-CG2 3.7Å
134P90Very high81.4Confident0 Ų058.8 Ų58.80%031%0.313CS..Hα-helixtrans-48-47.3-174.6-35.242.4000114V136 I137 Q138 N148 F152 E155 Y156P134-V136 PolarHBondContact O-N 3.24Å; P134-I137 WeakPolarHBondContact O-CG1 3.44Å; P134-I137 PolarHBondContact O-N 3.44Å; P134-I137 VanDerWaalsContact O-N 3.14Å; P134-Q138 WeakPolarHBondContact O-CB 3.21Å; P134-Q138 WeakPolarHBondContact O-CG 3.46Å; P134-Q138 PolarHBondContact O-N 3.22Å; P134-N148 WeakPolarHBondContact CD-OD1 3.28Å; P134-F152 WeakPolarHBondContact CG-O 3.4Å; P134-E155 HydrophobicContact CG-CB 4.49Å; P134-Y156 HydrophobicContact CB-CD1 3.81Å; P134-Y156 HydrophobicContact CB-CG 4.06Å
135C90.1Very high82.5Confident4 Ų458.6 Ų58.63%0.02732%0.315CS..Hα-helixtrans-65.2-20.8179.2-67.80000115.3F133 Q138 F143 C146 N148F133-C135 VanDerWaalsContact C-N 3.29Å; F133-C135 PolarHBondContact O-N 3.45Å; F133-C135 VanDerWaalsContact O-N 3.14Å; C135-Q138 PolarHBondContact O-NE2 3.42Å; C135-F143 HydrophobicContact CB-CD2 4.02Å; C135-F143 HydrophobicContact CB-CE2 4.23Å; C135-C146 WeakPolarHBondContact CA-SG 3.49Å; C135-C146 HydrophobicContact CB-CB 3.62Å; C135-C146 WeakPolarHBondContact CB-SG 3.34Å; C135-C146 WeakPolarHBondContact SG-CB 3.42Å; C135-C146 CovalentContact SG-SG 2.03Å; C135-C146 PolarHBondContact SG-SG 3.05Å; C135-N148 WeakPolarHBondContact CB-OD1 3.27Å; C135-N148 PolarHBondContact N-OD1 3.46Å; C135-N148 PolarHBondContact SG-OD1 3.01Å
136V86.6Confident83.7Confident52 Ų5258.3 Ų58.332%0.31532%0.315SS..Hα-helixtrans-80.8-31.9176.4-179.50000111.3P123 F133 P134 F143P123-V136 HydrophobicContact CB-CG2 3.79Å; P123-V136 HydrophobicContact CG-CG2 3.89Å; F133-V136 HydrophobicContact CB-CG2 4.26Å; F133-V136 WeakPolarHBondContact O-CA 3.38Å; F133-V136 WeakPolarHBondContact O-CB 3.34Å; F133-V136 PolarHBondContact O-N 3.09Å; P134-V136 PolarHBondContact O-N 3.24Å; V136-F143 HydrophobicContact CG2-CD2 4.32Å; V136-F143 HydrophobicContact CG2-CE2 3.86Å
137I87.7Confident85Confident46 Ų4660.1 Ų60.124%0.23632%0.319CS..Hα-helixtrans-99.6-27.5-172.960.8174000113.8P132 F133 P134 T153P132-I137 HydrophobicContact CB-CG2 3.81Å; F133-I137 PolarHBondContact O-N 3.38Å; P134-I137 WeakPolarHBondContact O-CG1 3.44Å; P134-I137 PolarHBondContact O-N 3.44Å; P134-I137 VanDerWaalsContact O-N 3.14Å; I137-T153 HydrophobicContact CD1-CG2 3.39Å
138Q90.3Very high86.4Confident20 Ų2055.6 Ų55.69%0.09330%0.295CS..  trans-72.2153.9179.665.577.735.900111.2P134 C135 C141 Y156P134-Q138 WeakPolarHBondContact O-CB 3.21Å; P134-Q138 WeakPolarHBondContact O-CG 3.46Å; P134-Q138 PolarHBondContact O-N 3.22Å; C135-Q138 PolarHBondContact O-NE2 3.42Å; Q138-C141 PolarHBondContact NE2-O 3.26Å; Q138-C141 PolarHBondContact OE1-O 3.05Å; Q138-Y156 HydrophobicContact CB-CD2 4.3Å; Q138-Y156 HydrophobicContact CB-CE1 4.28Å; Q138-Y156 HydrophobicContact CB-CE2 3.82Å; Q138-Y156 HydrophobicContact CG-CD2 3.88Å; Q138-Y156 HydrophobicContact CG-CE2 3.81Å; Q138-Y156 HydrophobicContact CG-CG 4.41Å
139N88.2Confident87.6Confident157 Ų15755.6 Ų55.684%0.8429%0.291SS*.  trans-121.49179.5-66.8-40.7000113.2
140D89.2Confident88.6Confident97 Ų9753.9 Ų53.952%0.51928%0.284SS..SBendtrans-75.8-30.1-176.6-54.6-36.7000111.8Y156 W166D140-Y156 WeakPolarHBondContact OD2-CE2 3.39Å; D140-Y156 VanDerWaalsContact OD2-CZ 3.29Å; D140-Y156 PolarHBondContact OD2-OH 2.94Å; D140-W166 HydrophobicContact CB-CH2 4.42Å
141C92.7Very high89.4Confident17 Ų1751 Ų5112%0.11527%0.266CS..SBendtrans-147.3162.3174.768.20000113.4Q138 V145 C146 C158Q138-C141 PolarHBondContact NE2-O 3.26Å; Q138-C141 PolarHBondContact OE1-O 3.05Å; C141-V145 HydrophobicContact CB-CG2 4.05Å; C141-C146 VanDerWaalsContact SG-CB 3.58Å; C141-C158 HydrophobicContact CB-CB 3.6Å; C141-C158 WeakPolarHBondContact CB-SG 3.43Å; C141-C158 VanDerWaalsContact SG-CA 3.58Å; C141-C158 WeakPolarHBondContact SG-CB 3.5Å; C141-C158 CovalentContact SG-SG 2.03Å; C141-C158 PolarHBondContact SG-SG 3.28Å
142P92.4Very high89.4Confident84 Ų8452.1 Ų52.155%0.54527%0.271SS..  trans-60.9145.3173.5-26.637.4000113.3N144 V145 C146P142-N144 WeakPolarHBondContact CB-OD1 3.32Å; P142-N144 PolarHBondContact O-N 3.44Å; P142-N144 VanDerWaalsContact O-N 3.13Å; P142-V145 HydrophobicContact CB-CG2 4.28Å; P142-V145 VanDerWaalsContact O-CG2 3.25Å; P142-V145 WeakPolarHBondContact O-CG2 3.47Å; P142-V145 PolarHBondContact O-N 3.32Å; P142-V145 VanDerWaalsContact O-N 3.12Å; P142-C146 PolarHBondContact O-N 3.07Å
143F88.1Confident89.4Confident120 Ų12053.7 Ų53.753%0.52628%0.281SS..THydrogen-bonded Turntrans-54.4-34.9-177.5175.7-99.3000114P123 C135 V136 V145P123-F143 HydrophobicContact CG-CE2 4.34Å; P123-F143 HydrophobicContact CG-CZ 4.15Å; C135-F143 HydrophobicContact CB-CD2 4.02Å; C135-F143 HydrophobicContact CB-CE2 4.23Å; V136-F143 HydrophobicContact CG2-CD2 4.32Å; V136-F143 HydrophobicContact CG2-CE2 3.86Å; F143-V145 VanDerWaalsContact C-N 3.29Å; F143-V145 PolarHBondContact O-N 3.11Å
144N89.1Confident89.2Confident135 Ų13556.7 Ų56.772%0.72230%0.295SS*.THydrogen-bonded Turntrans-69.8-21.3-177.363.6-23.8000114.2P142P142-N144 WeakPolarHBondContact CB-OD1 3.32Å; P142-N144 PolarHBondContact O-N 3.44Å; P142-N144 VanDerWaalsContact O-N 3.13Å
145V93.6Very high89.1Confident63 Ų6359.3 Ų59.338%0.38231%0.307SS..THydrogen-bonded Turntrans-107.1-13.8179-61.60000113.2C141 P142 F143 P159C141-V145 HydrophobicContact CB-CG2 4.05Å; P142-V145 HydrophobicContact CB-CG2 4.28Å; P142-V145 VanDerWaalsContact O-CG2 3.25Å; P142-V145 WeakPolarHBondContact O-CG2 3.47Å; P142-V145 PolarHBondContact O-N 3.32Å; P142-V145 VanDerWaalsContact O-N 3.12Å; F143-V145 VanDerWaalsContact C-N 3.29Å; F143-V145 PolarHBondContact O-N 3.11Å; V145-P159 HydrophobicContact CB-CG 3.94Å; V145-P159 HydrophobicContact CG2-CG 3.82Å
146C92.3Very high89.1Confident16 Ų1660 Ų6011%0.10831%0.309CS..  trans-71.8139.7177.7-177.30000111.7C135 C141 P142C135-C146 WeakPolarHBondContact CA-SG 3.49Å; C135-C146 HydrophobicContact CB-CB 3.62Å; C135-C146 WeakPolarHBondContact CB-SG 3.34Å; C135-C146 WeakPolarHBondContact SG-CB 3.42Å; C135-C146 CovalentContact SG-SG 2.03Å; C135-C146 PolarHBondContact SG-SG 3.05Å; C141-C146 VanDerWaalsContact SG-CB 3.58Å; P142-C146 PolarHBondContact O-N 3.07Å
147K90.9Very high89.5Confident117 Ų11760 Ų6051%0.50931%0.305SS..EExtended strand (participates in β ladder)trans-113.4122.8175.1-62.9176.6-174.4169.40110.3Y149 Y156 E157K147-Y149 HydrophobicContact CB-CE2 3.93Å; K147-Y156 CarbonylContact O-C 3.6Å; K147-Y156 WeakPolarHBondContact O-CA 3.42Å; K147-Y156 WeakPolarHBondContact O-CB 3.44Å; K147-E157 HydrophobicContact CB-CB 4.44Å; K147-E157 PolarHBondContact N-O 3.36Å; K147-E157 PolarHBondContact O-N 2.92Å
148N88.3Confident89.7Confident44 Ų4458 Ų5824%0.23530%0.296CS..EExtended strand (participates in β ladder)trans-79.9135.5170.2-65.9-60.4000110Y117 P134 C135Y117-N148 HydrophobicContact CD2-CB 4.47Å; Y117-N148 HydrophobicContact CE2-CB 3.93Å; P134-N148 WeakPolarHBondContact CD-OD1 3.28Å; C135-N148 WeakPolarHBondContact CB-OD1 3.27Å; C135-N148 PolarHBondContact N-OD1 3.46Å; C135-N148 PolarHBondContact SG-OD1 3.01Å
149Y87.8Confident89.9Confident89 Ų8960.9 Ų60.935%0.34932%0.316SS..SBendtrans-111.2-2.2168.7-71.6-77.3000113Y117 K147 E155 E157 R168Y117-Y149 VanDerWaalsContact OH-CA 3.32Å; Y117-Y149 WeakPolarHBondContact OH-CA 3.26Å; Y117-Y149 PolarHBondContact OH-O 3.33Å; K147-Y149 HydrophobicContact CB-CE2 3.93Å; Y149-E155 PolarHBondContact N-O 3.25Å; Y149-E157 HydrophobicContact CD2-CB 4.07Å; Y149-E157 HydrophobicContact CE2-CB 3.47Å; Y149-E157 VanDerWaalsContact CE2-CB 3.47Å; Y149-E157 HydrophobicContact CE2-CG 4.35Å; Y149-E157 VanDerWaalsContact CE2-OE2 3.29Å; Y149-E157 WeakPolarHBondContact CE2-OE2 3.4Å; Y149-E157 PolarHBondContact OH-OE2 3.02Å; Y149-R168 PolarHBondContact OH-NH2 3.25Å
150G88.4Confident90.1Very high4 Ų455 Ų554%0.04129%0.287CS..SBendtrans-175.2-150.9174.200000111.3Y117 E155Y117-G150 VanDerWaalsContact CZ-CA 3.45Å; Y117-G150 PolarHBondContact OH-N 3.27Å; G150-E155 WeakPolarHBondContact CA-OE2 3.36Å; G150-E155 PolarHBondContact N-O 3.32Å
151I88.3Confident90.1Very high1 Ų156.3 Ų56.31%0.00529%0.294CS..SBendtrans-115.9-19.4-179.161.8162.3000112.9F6 L110 Y114 Y117 F133 E155F6-I151 HydrophobicContact CD2-CB 4.3Å; F6-I151 HydrophobicContact CD2-CD1 4.37Å; F6-I151 WeakPolarHBondContact CD2-O 3.47Å; L110-I151 HydrophobicContact CD1-CD1 3.53Å; L110-I151 HydrophobicContact CG-CD1 4.42Å; Y114-I151 HydrophobicContact CD2-CD1 3.77Å; Y114-I151 HydrophobicContact CD2-CG1 4.06Å; Y114-I151 HydrophobicContact CD2-CG2 4.48Å; Y114-I151 HydrophobicContact CG-CD1 4.21Å; Y117-I151 VanDerWaalsContact CB-CG2 3.44Å; Y117-I151 HydrophobicContact CD1-CG2 4.18Å; Y117-I151 HydrophobicContact CD2-CG2 4.44Å; Y117-I151 HydrophobicContact CG-CG2 3.76Å; F133-I151 HydrophobicContact CD1-CB 4.42Å; F133-I151 HydrophobicContact CD1-CG2 3.93Å; F133-I151 HydrophobicContact CE1-CG2 3.7Å; I151-E155 PolarHBondContact N-OE2 3.5Å
152F88.2Confident89.7Confident22 Ų2263.7 Ų63.710%0.09633%0.333CS..BIsolated β-bridgetrans-75.1146.2179.3-58.7-66.4000109.8F6 L11 I26 T30 L110 P134 H154 E155F6-F152 HydrophobicContact CB-CD1 3.78Å; F6-F152 HydrophobicContact CB-CE1 4.36Å; F6-F152 VanDerWaalsContact O-CA 3.29Å; F6-F152 WeakPolarHBondContact O-CA 3.48Å; F6-F152 WeakPolarHBondContact O-CB 3.4Å; F6-F152 WeakPolarHBondContact O-CD1 3.33Å; L11-F152 HydrophobicContact CD1-CD1 3.56Å; L11-F152 HydrophobicContact CD1-CE1 3.26Å; L11-F152 HydrophobicContact CD1-CZ 4.44Å; I26-F152 HydrophobicContact CG2-CZ 4.07Å; T30-F152 HydrophobicContact CG2-CZ 4.46Å; L110-F152 HydrophobicContact CD1-CE1 4.13Å; P134-F152 WeakPolarHBondContact CG-O 3.4Å; F152-H154 VanDerWaalsContact CB-CE1 3.44Å; F152-H154 WeakPolarHBondContact CB-CE1 3.35Å; F152-H154 PolarHBondContact O-N 3.26Å; F152-E155 HydrophobicContact CB-CG 4.06Å; F152-E155 WeakPolarHBondContact CB-OE2 3.42Å; F152-E155 WeakPolarHBondContact CD2-OE2 3.43Å; F152-E155 PolarHBondContact N-OE2 3.46Å; F152-E155 WeakPolarHBondContact O-CB 3.39Å; F152-E155 PolarHBondContact O-N 2.87Å
153T86.7Confident89.6Confident34 Ų3463.8 Ų63.821%0.20934%0.335CS..THydrogen-bonded Turntrans-55.5-20.2-168.359.40000115.6F6 T7 I137 Y156F6-T153 PolarHBondContact O-N 3.43Å; F6-T153 VanDerWaalsContact O-N 3.1Å; T7-T153 HydrophobicContact CG2-CG2 3.59Å; I137-T153 HydrophobicContact CD1-CG2 3.39Å; T153-Y156 WeakPolarHBondContact O-CD1 3.4Å; T153-Y156 VanDerWaalsContact O-CE1 3.25Å; T153-Y156 WeakPolarHBondContact O-CE1 3.09Å
154H83.9Confident89.8Confident68 Ų6859 Ų5932%0.31532%0.317SS..THydrogen-bonded Turntrans-95.5-3179.660.9-75.5000113.3H8 F152 Y156 N171H8-H154 AromaticContact CD2-CE1 3.44Å; H8-H154 PolarHBondContact CD2-CE1 3.09Å; H8-H154 VanDerWaalsContact CD2-CE1 3.44Å; H8-H154 AromaticContact NE2-CE1 3.75Å; F152-H154 VanDerWaalsContact CB-CE1 3.44Å; F152-H154 WeakPolarHBondContact CB-CE1 3.35Å; F152-H154 PolarHBondContact O-N 3.26Å; H154-Y156 VanDerWaalsContact C-N 3.35Å; H154-Y156 PolarHBondContact O-N 3.35Å; H154-N171 VanDerWaalsContact C-ND2 3.27Å; H154-N171 WeakPolarHBondContact CA-ND2 3.46Å; H154-N171 PolarHBondContact O-ND2 2.99Å
155E88.2Confident89.8Confident56 Ų5657.3 Ų57.326%0.26230%0.303SS..  trans-93.259.5-175.4-61179.6128.100111.9P134 Y149 G150 I151 F152P134-E155 HydrophobicContact CG-CB 4.49Å; Y149-E155 PolarHBondContact N-O 3.25Å; G150-E155 WeakPolarHBondContact CA-OE2 3.36Å; G150-E155 PolarHBondContact N-O 3.32Å; I151-E155 PolarHBondContact N-OE2 3.5Å; F152-E155 HydrophobicContact CB-CG 4.06Å; F152-E155 WeakPolarHBondContact CB-OE2 3.42Å; F152-E155 WeakPolarHBondContact CD2-OE2 3.43Å; F152-E155 PolarHBondContact N-OE2 3.46Å; F152-E155 WeakPolarHBondContact O-CB 3.39Å; F152-E155 PolarHBondContact O-N 2.87Å
156Y90.9Very high89.6Confident19 Ų1955.4 Ų55.48%0.07529%0.289CS..EExtended strand (participates in β ladder)trans-141.4168.5172.968.9-71.6000112.8P134 Q138 D140 K147 T153 H154 W166 N171P134-Y156 HydrophobicContact CB-CD1 3.81Å; P134-Y156 HydrophobicContact CB-CG 4.06Å; Q138-Y156 HydrophobicContact CB-CD2 4.3Å; Q138-Y156 HydrophobicContact CB-CE1 4.28Å; Q138-Y156 HydrophobicContact CB-CE2 3.82Å; Q138-Y156 HydrophobicContact CG-CD2 3.88Å; Q138-Y156 HydrophobicContact CG-CE2 3.81Å; Q138-Y156 HydrophobicContact CG-CG 4.41Å; D140-Y156 WeakPolarHBondContact OD2-CE2 3.39Å; D140-Y156 VanDerWaalsContact OD2-CZ 3.29Å; D140-Y156 PolarHBondContact OD2-OH 2.94Å; K147-Y156 CarbonylContact O-C 3.6Å; K147-Y156 WeakPolarHBondContact O-CA 3.42Å; K147-Y156 WeakPolarHBondContact O-CB 3.44Å; T153-Y156 WeakPolarHBondContact O-CD1 3.4Å; T153-Y156 VanDerWaalsContact O-CE1 3.25Å; T153-Y156 WeakPolarHBondContact O-CE1 3.09Å; H154-Y156 VanDerWaalsContact C-N 3.35Å; H154-Y156 PolarHBondContact O-N 3.35Å; Y156-W166 HydrophobicContact CD2-CH2 4.27Å; Y156-W166 AromaticContact CD2-CZ2 3.91Å; Y156-W166 HydrophobicContact CD2-CZ2 3.91Å; Y156-W166 AromaticContact CE2-CH2 3.52Å; Y156-W166 HydrophobicContact CE2-CH2 3.52Å; Y156-W166 AromaticContact CE2-CZ2 3.48Å; Y156-W166 HydrophobicContact CE2-CZ2 3.48Å; Y156-W166 VanDerWaalsContact CE2-CZ2 3.48Å; Y156-W166 AromaticContact CZ-CH2 3.98Å; Y156-W166 AromaticContact CZ-CZ2 3.83Å; Y156-W166 PolarHBondContact O-NE1 2.86Å; Y156-N171 HydrophobicContact CE1-CB 4.41Å; Y156-N171 WeakPolarHBondContact CE1-ND2 3.02Å
157E93.4Very high89.3Confident50 Ų5055.2 Ų55.223%0.23429%0.287CS..EExtended strand (participates in β ladder)trans-139.3129.2174.9-172.9174.6136.400109.6K147 Y149 W166 R168K147-E157 HydrophobicContact CB-CB 4.44Å; K147-E157 PolarHBondContact N-O 3.36Å; K147-E157 PolarHBondContact O-N 2.92Å; Y149-E157 HydrophobicContact CD2-CB 4.07Å; Y149-E157 HydrophobicContact CE2-CB 3.47Å; Y149-E157 VanDerWaalsContact CE2-CB 3.47Å; Y149-E157 HydrophobicContact CE2-CG 4.35Å; Y149-E157 VanDerWaalsContact CE2-OE2 3.29Å; Y149-E157 WeakPolarHBondContact CE2-OE2 3.4Å; Y149-E157 PolarHBondContact OH-OE2 3.02Å; E157-W166 HydrophobicContact CB-CG 4.36Å; E157-W166 HydrophobicContact CG-CB 3.9Å; E157-W166 HydrophobicContact CG-CD2 4.5Å; E157-W166 HydrophobicContact CG-CG 3.72Å; E157-R168 IonicContact OE2-CZ 3.82Å; E157-R168 IonicContact OE2-NE 2.84Å; E157-R168 PolarHBondContact OE2-NE 2.96Å; E157-R168 IonicContact OE2-NH2 3.19Å; E157-R168 PolarHBondContact OE2-NH2 2.85Å
158C93.6Very high88.8Confident5 Ų555.1 Ų55.13%0.03428%0.283CS..  trans-103.9147.7169.4-75.30000109.9C141 W166C141-C158 HydrophobicContact CB-CB 3.6Å; C141-C158 WeakPolarHBondContact CB-SG 3.43Å; C141-C158 VanDerWaalsContact SG-CA 3.58Å; C141-C158 WeakPolarHBondContact SG-CB 3.5Å; C141-C158 CovalentContact SG-SG 2.03Å; C141-C158 PolarHBondContact SG-SG 3.28Å; C158-W166 HydrophobicContact CB-CE3 3.9Å; C158-W166 HydrophobicContact CB-CH2 4.06Å; C158-W166 HydrophobicContact CB-CZ3 3.63Å
159P93.7Very high88.1Confident80 Ų8060.4 Ų60.452%0.51931%0.312SS..  trans-64.7141.2172.129.7-35.2000110.1V145V145-P159 HydrophobicContact CB-CG 3.94Å; V145-P159 HydrophobicContact CG2-CG 3.82Å
160C91.9Very high87.9Confident33 Ų3358 Ų5822%0.22331%0.308CS..  trans-112.8162.4176.8-59.40000110.6S164 W166 C173C160-S164 WeakPolarHBondContact CB-OG 3.31Å; C160-W166 VanDerWaalsContact SG-CA 3.59Å; C160-W166 PolarHBondContact SG-N 3.01Å; C160-C173 VanDerWaalsContact CA-SG 3.51Å; C160-C173 HydrophobicContact CB-CB 3.8Å; C160-C173 WeakPolarHBondContact CB-SG 3.32Å; C160-C173 VanDerWaalsContact SG-CA 3.52Å; C160-C173 WeakPolarHBondContact SG-CB 3.42Å; C160-C173 CovalentContact SG-SG 2.03Å; C160-C173 PolarHBondContact SG-SG 2.9Å
161D88.7Confident87.8Confident126 Ų12659.3 Ų59.367%0.67431%0.314SS*.  trans-61.6155.2171.9-64.1-29.7000111.2S163 S164D161-S163 PolarHBondContact O-N 3.32Å; D161-S164 PolarHBondContact N-OG 3.33Å; D161-S164 CarbonylContact O-C 3.31Å; D161-S164 WeakPolarHBondContact O-CA 3.33Å; D161-S164 PolarHBondContact O-N 2.8Å; D161-S164 PolarHBondContact O-OG 2.81Å
162N85.9Confident87.8Confident172 Ų17263.3 Ų63.392%0.9233%0.333SS*.THydrogen-bonded Turntrans-54.2-22.6-175.6-73.3-12.2000115.4S164N162-S164 VanDerWaalsContact C-N 3.35Å
163S89.1Confident87.9Confident86 Ų8664.9 Ų64.960%0.60135%0.345SS*.THydrogen-bonded Turntrans-91.24.4178.157.80000113.7D161 D176D161-S163 PolarHBondContact O-N 3.32Å; S163-D176 PolarHBondContact O-N 3.15Å
164S92Very high88Confident20 Ų2063.8 Ų63.814%0.1434%0.338CS..EExtended strand (participates in β ladder)trans-140.9157.5-172.560.60000112.5C160 D161 N162 L174C160-S164 WeakPolarHBondContact CB-OG 3.31Å; D161-S164 PolarHBondContact N-OG 3.33Å; D161-S164 CarbonylContact O-C 3.31Å; D161-S164 WeakPolarHBondContact O-CA 3.33Å; D161-S164 PolarHBondContact O-N 2.8Å; D161-S164 PolarHBondContact O-OG 2.81Å; N162-S164 VanDerWaalsContact C-N 3.35Å; S164-L174 CarbonylContact C-O 3.54Å; S164-L174 WeakPolarHBondContact CA-O 3.45Å; S164-L174 VanDerWaalsContact CB-O 3.26Å; S164-L174 WeakPolarHBondContact CB-O 3.35Å
165K88.9Confident88.4Confident99 Ų9963.4 Ų63.443%0.4334%0.342SS..EExtended strand (participates in β ladder)trans-133.6141.1179.3-73.9-177.4-177.5-171.60110.6N167 L174 D176 Y179K165-N167 PolarHBondContact O-N 2.99Å; K165-L174 PolarHBondContact N-O 2.97Å; K165-L174 PolarHBondContact O-N 3.07Å; K165-D176 WeakPolarHBondContact CD-OD1 3.48Å; K165-D176 VanDerWaalsContact CE-OD1 3.26Å; K165-D176 WeakPolarHBondContact CE-OD1 3.47Å; K165-D176 WeakPolarHBondContact CG-OD1 3.38Å; K165-Y179 HydrophobicContact CB-CD1 3.99Å; K165-Y179 HydrophobicContact CB-CD2 3.76Å; K165-Y179 HydrophobicContact CB-CE1 4.13Å; K165-Y179 HydrophobicContact CB-CE2 3.95Å; K165-Y179 HydrophobicContact CB-CG 3.79Å; K165-Y179 HydrophobicContact CD-CD1 3.72Å; K165-Y179 HydrophobicContact CD-CE1 3.73Å; K165-Y179 HydrophobicContact CD-CG 4.35Å; K165-Y179 HydrophobicContact CG-CD1 4.46Å
166W89.9Confident88.3Confident22 Ų2262.9 Ų62.98%0.08334%0.341CS..EExtended strand (participates in β ladder)trans-66127.7176-173-98.8000110.3D140 Y156 E157 C158 C160 N171 Y179D140-W166 HydrophobicContact CB-CH2 4.42Å; Y156-W166 HydrophobicContact CD2-CH2 4.27Å; Y156-W166 AromaticContact CD2-CZ2 3.91Å; Y156-W166 HydrophobicContact CD2-CZ2 3.91Å; Y156-W166 AromaticContact CE2-CH2 3.52Å; Y156-W166 HydrophobicContact CE2-CH2 3.52Å; Y156-W166 AromaticContact CE2-CZ2 3.48Å; Y156-W166 HydrophobicContact CE2-CZ2 3.48Å; Y156-W166 VanDerWaalsContact CE2-CZ2 3.48Å; Y156-W166 AromaticContact CZ-CH2 3.98Å; Y156-W166 AromaticContact CZ-CZ2 3.83Å; Y156-W166 PolarHBondContact O-NE1 2.86Å; E157-W166 HydrophobicContact CB-CG 4.36Å; E157-W166 HydrophobicContact CG-CB 3.9Å; E157-W166 HydrophobicContact CG-CD2 4.5Å; E157-W166 HydrophobicContact CG-CG 3.72Å; C158-W166 HydrophobicContact CB-CE3 3.9Å; C158-W166 HydrophobicContact CB-CH2 4.06Å; C158-W166 HydrophobicContact CB-CZ3 3.63Å; C160-W166 VanDerWaalsContact SG-CA 3.59Å; C160-W166 PolarHBondContact SG-N 3.01Å; W166-N171 VanDerWaalsContact CH2-C 3.48Å; W166-N171 VanDerWaalsContact CH2-O 3.26Å; W166-N171 WeakPolarHBondContact CH2-O 3.5Å; W166-N171 VanDerWaalsContact CZ2-C 3.45Å; W166-N171 HydrophobicContact CZ2-CB 4.17Å; W166-Y179 VanDerWaalsContact O-CE2 3.32Å; W166-Y179 WeakPolarHBondContact O-CE2 3.27Å
167N85.6Confident88.2Confident13 Ų1365.8 Ų65.87%0.0736%0.364CS..EExtended strand (participates in β ladder)trans-104.4121171.4-172.6-28.8000109.7K165 D169 S170 N171 E172 L174 Y179 R182K165-N167 PolarHBondContact O-N 2.99Å; N167-D169 WeakPolarHBondContact OD1-CB 3.35Å; N167-D169 PolarHBondContact OD1-N 2.62Å; N167-S170 WeakPolarHBondContact CB-OG 3.29Å; N167-N171 VanDerWaalsContact O-CA 3.29Å; N167-N171 WeakPolarHBondContact O-CA 3.3Å; N167-N171 PolarHBondContact O-N 2.9Å; N167-E172 PolarHBondContact N-O 3.27Å; N167-E172 PolarHBondContact O-N 2.94Å; N167-L174 HydrophobicContact CB-CD1 3.44Å; N167-L174 VanDerWaalsContact CB-CD1 3.44Å; N167-L174 HydrophobicContact CB-CG 3.99Å; N167-L174 VanDerWaalsContact ND2-CD1 3.28Å; N167-L174 WeakPolarHBondContact ND2-CD1 3.37Å; N167-Y179 HydrophobicContact CB-CD2 4.29Å; N167-Y179 HydrophobicContact CB-CE2 4.18Å; N167-R182 VanDerWaalsContact ND2-CD 3.29Å; N167-R182 WeakPolarHBondContact ND2-CD 3.43Å
168R80.5Confident87.7Confident114 Ų11467 Ų6743%0.4337%0.371SS..THydrogen-bonded Turntrans-76.2-22.6-178.7-66.4-174.3-177.8-164.52.3114.5Y149 E157 N171Y149-R168 PolarHBondContact OH-NH2 3.25Å; E157-R168 IonicContact OE2-CZ 3.82Å; E157-R168 IonicContact OE2-NE 2.84Å; E157-R168 PolarHBondContact OE2-NE 2.96Å; E157-R168 IonicContact OE2-NH2 3.19Å; E157-R168 PolarHBondContact OE2-NH2 2.85Å; R168-N171 PolarHBondContact O-OD1 3.49Å
169D75Confident87.1Confident156 Ų15669 Ų6983%0.83438%0.378SS*.THydrogen-bonded Turntrans-77.1-30.1178.9-62-26.2000111.2N167N167-D169 WeakPolarHBondContact OD1-CB 3.35Å; N167-D169 PolarHBondContact OD1-N 2.62Å
170S83.2Confident86.4Confident39 Ų3971 Ų7127%0.27338%0.379SS..THydrogen-bonded Turntrans-111.3-3.1-17957.40000114.2N167 E172 R182N167-S170 WeakPolarHBondContact CB-OG 3.29Å; S170-E172 VanDerWaalsContact C-N 3.32Å; S170-E172 WeakPolarHBondContact CB-OE1 3.41Å; S170-E172 PolarHBondContact O-N 3.41Å; S170-E172 WeakPolarHBondContact OG-CG 3.2Å; S170-E172 PolarHBondContact OG-OE1 3.17Å; S170-E172 VanDerWaalsContact OG-OE1 3.09Å; S170-R182 PolarHBondContact OG-NH1 3.2Å
171N85.5Confident85.7Confident31 Ų3173.5 Ų73.517%0.16639%0.389CS..THydrogen-bonded Turntrans51.545.8178.7-71.166.2000113.8H154 Y156 W166 N167 R168H154-N171 VanDerWaalsContact C-ND2 3.27Å; H154-N171 WeakPolarHBondContact CA-ND2 3.46Å; H154-N171 PolarHBondContact O-ND2 2.99Å; Y156-N171 HydrophobicContact CE1-CB 4.41Å; Y156-N171 WeakPolarHBondContact CE1-ND2 3.02Å; W166-N171 VanDerWaalsContact CH2-C 3.48Å; W166-N171 VanDerWaalsContact CH2-O 3.26Å; W166-N171 WeakPolarHBondContact CH2-O 3.5Å; W166-N171 VanDerWaalsContact CZ2-C 3.45Å; W166-N171 HydrophobicContact CZ2-CB 4.17Å; N167-N171 VanDerWaalsContact O-CA 3.29Å; N167-N171 WeakPolarHBondContact O-CA 3.3Å; N167-N171 PolarHBondContact O-N 2.9Å; R168-N171 PolarHBondContact O-OD1 3.49Å
172E89Confident84.9Confident85 Ų8572.7 Ų72.740%0.39738%0.377SS..EExtended strand (participates in β ladder)trans-149.3158-176.668.8-170.8165.200111.6N167 S170 L174 R182N167-E172 PolarHBondContact N-O 3.27Å; N167-E172 PolarHBondContact O-N 2.94Å; S170-E172 VanDerWaalsContact C-N 3.32Å; S170-E172 WeakPolarHBondContact CB-OE1 3.41Å; S170-E172 PolarHBondContact O-N 3.41Å; S170-E172 WeakPolarHBondContact OG-CG 3.2Å; S170-E172 PolarHBondContact OG-OE1 3.17Å; S170-E172 VanDerWaalsContact OG-OE1 3.09Å; E172-L174 HydrophobicContact CG-CD2 3.81Å; E172-L174 HydrophobicContact CG-CG 4.09Å; E172-L174 WeakPolarHBondContact OE1-CD2 3.3Å; E172-R182 IonicContact OE1-NH1 3.37Å; E172-R182 PolarHBondContact OE1-NH1 2.63Å; E172-R182 VanDerWaalsContact OE1-NH1 3.15Å
173C90Very high84.1Confident54 Ų5470.2 Ų70.237%0.36536%0.359SS..EExtended strand (participates in β ladder)trans-78.3121.8169.6-69.10000110.5C160C160-C173 VanDerWaalsContact CA-SG 3.51Å; C160-C173 HydrophobicContact CB-CB 3.8Å; C160-C173 WeakPolarHBondContact CB-SG 3.32Å; C160-C173 VanDerWaalsContact SG-CA 3.52Å; C160-C173 WeakPolarHBondContact SG-CB 3.42Å; C160-C173 CovalentContact SG-SG 2.03Å; C160-C173 PolarHBondContact SG-SG 2.9Å
174L89.4Confident82.8Confident11 Ų1171.3 Ų71.36%0.05836%0.363CS..EExtended strand (participates in β ladder)trans-110.2139.1177.9-65.2177.4000111.6S164 K165 N167 E172 I178 Y179S164-L174 CarbonylContact C-O 3.54Å; S164-L174 WeakPolarHBondContact CA-O 3.45Å; S164-L174 VanDerWaalsContact CB-O 3.26Å; S164-L174 WeakPolarHBondContact CB-O 3.35Å; K165-L174 PolarHBondContact N-O 2.97Å; K165-L174 PolarHBondContact O-N 3.07Å; N167-L174 HydrophobicContact CB-CD1 3.44Å; N167-L174 VanDerWaalsContact CB-CD1 3.44Å; N167-L174 HydrophobicContact CB-CG 3.99Å; N167-L174 VanDerWaalsContact ND2-CD1 3.28Å; N167-L174 WeakPolarHBondContact ND2-CD1 3.37Å; E172-L174 HydrophobicContact CG-CD2 3.81Å; E172-L174 HydrophobicContact CG-CG 4.09Å; E172-L174 WeakPolarHBondContact OE1-CD2 3.3Å; L174-I178 HydrophobicContact CD1-CG2 4.5Å; L174-I178 HydrophobicContact CD2-CG2 4.44Å; L174-Y179 HydrophobicContact CB-CD2 4.43Å; L174-Y179 HydrophobicContact CD1-CD2 4.41Å
175P92.1Very high80.9Confident60 Ų6077.7 Ų77.739%0.3938%0.384SS..EExtended strand (participates in β ladder)trans-52.5142.2169.6-25.133.1000111.7S177 I178 Y179P175-S177 PolarHBondContact O-N 3.42Å; P175-S177 VanDerWaalsContact O-N 3.08Å; P175-I178 HydrophobicContact CB-CG1 4.42Å; P175-I178 HydrophobicContact CG-CD1 4.09Å; P175-I178 PolarHBondContact O-N 2.92Å; P175-Y179 PolarHBondContact O-N 3.12Å
176D87Confident79.2Confident46 Ų4679.7 Ų79.725%0.24640%0.399CS..Hα-helixtrans-54-34.1-177.1-102.4-6.8000113.4S163 K165 K180S163-D176 PolarHBondContact O-N 3.15Å; K165-D176 WeakPolarHBondContact CD-OD1 3.48Å; K165-D176 VanDerWaalsContact CE-OD1 3.26Å; K165-D176 WeakPolarHBondContact CE-OD1 3.47Å; K165-D176 WeakPolarHBondContact CG-OD1 3.38Å; D176-K180 VanDerWaalsContact O-CB 3.27Å; D176-K180 WeakPolarHBondContact O-CB 3.01Å; D176-K180 WeakPolarHBondContact O-CG 3.44Å; D176-K180 PolarHBondContact O-N 2.92Å
177S87.7Confident77.4Confident79 Ų7985.5 Ų85.555%0.55242%0.422SS*.Hα-helixtrans-62.4-46.3174.955.70000112P175 I181P175-S177 PolarHBondContact O-N 3.42Å; P175-S177 VanDerWaalsContact O-N 3.08Å; S177-I181 WeakPolarHBondContact O-CD1 3.5Å; S177-I181 VanDerWaalsContact O-CG1 3.22Å; S177-I181 WeakPolarHBondContact O-CG1 3.02Å; S177-I181 PolarHBondContact O-N 3.46Å; S177-I181 VanDerWaalsContact O-N 3.09Å
178I82.9Confident75.9Confident76 Ų7686.7 Ų86.739%0.3943%0.431SS..Hα-helixtrans-72.7-41.9179.1-60.3-178.7000110.5L174 P175 K180 I181 R182L174-I178 HydrophobicContact CD1-CG2 4.5Å; L174-I178 HydrophobicContact CD2-CG2 4.44Å; P175-I178 HydrophobicContact CB-CG1 4.42Å; P175-I178 HydrophobicContact CG-CD1 4.09Å; P175-I178 PolarHBondContact O-N 2.92Å; I178-K180 VanDerWaalsContact C-N 3.35Å; I178-K180 PolarHBondContact O-N 3.04Å; I178-I181 PolarHBondContact O-N 3.13Å; I178-I181 VanDerWaalsContact O-N 3.16Å; I178-R182 PolarHBondContact O-N 3.41Å
179Y81.2Confident75Confident46 Ų4685.6 Ų85.618%0.1843%0.433CS..Hα-helixtrans-60.3-45.8177.7-171.9-93.6000111K165 W166 N167 L174 P175 I181 R182 Q183K165-Y179 HydrophobicContact CB-CD1 3.99Å; K165-Y179 HydrophobicContact CB-CD2 3.76Å; K165-Y179 HydrophobicContact CB-CE1 4.13Å; K165-Y179 HydrophobicContact CB-CE2 3.95Å; K165-Y179 HydrophobicContact CB-CG 3.79Å; K165-Y179 HydrophobicContact CD-CD1 3.72Å; K165-Y179 HydrophobicContact CD-CE1 3.73Å; K165-Y179 HydrophobicContact CD-CG 4.35Å; K165-Y179 HydrophobicContact CG-CD1 4.46Å; W166-Y179 VanDerWaalsContact O-CE2 3.32Å; W166-Y179 WeakPolarHBondContact O-CE2 3.27Å; N167-Y179 HydrophobicContact CB-CD2 4.29Å; N167-Y179 HydrophobicContact CB-CE2 4.18Å; L174-Y179 HydrophobicContact CB-CD2 4.43Å; L174-Y179 HydrophobicContact CD1-CD2 4.41Å; P175-Y179 PolarHBondContact O-N 3.12Å; Y179-I181 PolarHBondContact O-N 3.42Å; Y179-R182 PolarHBondContact O-N 3.33Å; Y179-Q183 HydrophobicContact CD1-CG 4.21Å; Y179-Q183 HydrophobicContact CE1-CG 3.89Å; Y179-Q183 PolarHBondContact O-N 2.82Å; Y179-Q183 PolarHBondContact OH-NE2 2.8Å
180K79.5Confident74.1Confident122 Ų12285 Ų8553%0.5343%0.427SS..Hα-helixtrans-60.6-43.4172.5-74.9173.6-174.2175.30111.5D176 I178 R182 Q183 T184D176-K180 VanDerWaalsContact O-CB 3.27Å; D176-K180 WeakPolarHBondContact O-CB 3.01Å; D176-K180 WeakPolarHBondContact O-CG 3.44Å; D176-K180 PolarHBondContact O-N 2.92Å; I178-K180 VanDerWaalsContact C-N 3.35Å; I178-K180 PolarHBondContact O-N 3.04Å; K180-R182 VanDerWaalsContact C-N 3.3Å; K180-R182 PolarHBondContact O-N 3.16Å; K180-Q183 CarbonylContact O-C 3.55Å; K180-Q183 PolarHBondContact O-N 2.92Å; K180-T184 WeakPolarHBondContact O-CB 3.49Å; K180-T184 VanDerWaalsContact O-CG2 3.23Å; K180-T184 WeakPolarHBondContact O-CG2 3.26Å; K180-T184 PolarHBondContact O-N 3.31Å; K180-T184 PolarHBondContact O-OG1 2.97Å
181I76.4Confident72.7Confident86 Ų8685 Ų8544%0.44142%0.424SS..Hα-helixtrans-61.1-38.7175.4-67.9161.7000111.6S177 I178 Y179 T184 R185S177-I181 WeakPolarHBondContact O-CD1 3.5Å; S177-I181 VanDerWaalsContact O-CG1 3.22Å; S177-I181 WeakPolarHBondContact O-CG1 3.02Å; S177-I181 PolarHBondContact O-N 3.46Å; S177-I181 VanDerWaalsContact O-N 3.09Å; I178-I181 PolarHBondContact O-N 3.13Å; I178-I181 VanDerWaalsContact O-N 3.16Å; Y179-I181 PolarHBondContact O-N 3.42Å; I181-T184 WeakPolarHBondContact CA-OG1 3.38Å; I181-T184 PolarHBondContact O-OG1 3.41Å; I181-R185 VanDerWaalsContact O-CB 3.3Å; I181-R185 WeakPolarHBondContact O-CB 3.32Å; I181-R185 VanDerWaalsContact O-CG 3.25Å; I181-R185 WeakPolarHBondContact O-CG 3.41Å; I181-R185 PolarHBondContact O-N 2.98Å
182R71.6Confident71.7Confident109 Ų10986 Ų8641%0.41143%0.431SS..Hα-helixtrans-67.9-34.7175.6-84.2-169.8165.9150.5-7112.3N167 S170 E172 I178 Y179 K180N167-R182 VanDerWaalsContact ND2-CD 3.29Å; N167-R182 WeakPolarHBondContact ND2-CD 3.43Å; S170-R182 PolarHBondContact OG-NH1 3.2Å; E172-R182 IonicContact OE1-NH1 3.37Å; E172-R182 PolarHBondContact OE1-NH1 2.63Å; E172-R182 VanDerWaalsContact OE1-NH1 3.15Å; I178-R182 PolarHBondContact O-N 3.41Å; Y179-R182 PolarHBondContact O-N 3.33Å; K180-R182 VanDerWaalsContact C-N 3.3Å; K180-R182 PolarHBondContact O-N 3.16Å
183Q68.9Low70.6Confident120 Ų12085.9 Ų85.956%0.56143%0.429SS*.Hα-helixtrans-79.8-36.8174.7-69.9-152.3-4.700114Y179 K180 R185 N186Y179-Q183 HydrophobicContact CD1-CG 4.21Å; Y179-Q183 HydrophobicContact CE1-CG 3.89Å; Y179-Q183 PolarHBondContact O-N 2.82Å; Y179-Q183 PolarHBondContact OH-NE2 2.8Å; K180-Q183 CarbonylContact O-C 3.55Å; K180-Q183 PolarHBondContact O-N 2.92Å; Q183-R185 CarbonylContact C-O 3.57Å; Q183-R185 CarbonylContact O-C 3.27Å; Q183-R185 VanDerWaalsContact O-C 3.27Å; Q183-N186 PolarHBondContact O-N 2.99Å
184T61.7Low69.4Low109 Ų10984.5 Ų84.567%0.66942%0.418SS*.Hα-helixtrans-81.5-21.8-179.159.40000112.5K180 I181 N186K180-T184 WeakPolarHBondContact O-CB 3.49Å; K180-T184 VanDerWaalsContact O-CG2 3.23Å; K180-T184 WeakPolarHBondContact O-CG2 3.26Å; K180-T184 PolarHBondContact O-N 3.31Å; K180-T184 PolarHBondContact O-OG1 2.97Å; I181-T184 WeakPolarHBondContact CA-OG1 3.38Å; I181-T184 PolarHBondContact O-OG1 3.41Å; T184-N186 PolarHBondContact O-N 3.42Å
185R52.9Low68.4Low154 Ų15489.1 Ų89.158%0.58144%0.437SS*.SBendtrans-60.184.8140.1-69.4176.8-173.2174.73.7104.7I181 Q183 Y187I181-R185 VanDerWaalsContact O-CB 3.3Å; I181-R185 WeakPolarHBondContact O-CB 3.32Å; I181-R185 VanDerWaalsContact O-CG 3.25Å; I181-R185 WeakPolarHBondContact O-CG 3.41Å; I181-R185 PolarHBondContact O-N 2.98Å; Q183-R185 CarbonylContact C-O 3.57Å; Q183-R185 CarbonylContact O-C 3.27Å; Q183-R185 VanDerWaalsContact O-C 3.27Å; R185-Y187 HydrophobicContact CB-CD2 4.42Å; R185-Y187 PolarHBondContact O-N 3.32Å
186N52.7Low67.4Low141 Ų14190.5 Ų90.575%0.75444%0.44SS*.  -44.783.4129.3-88.6-8.8000103.3Q183 T184 P188Q183-N186 PolarHBondContact O-N 2.99Å; T184-N186 PolarHBondContact O-N 3.42Å; N186-P188 VanDerWaalsContact C-CD 3.45Å; N186-P188 WeakPolarHBondContact O-CD 3.38Å
187Y52.5Low66.5Low145 Ų14589.8 Ų89.857%0.56944%0.436SS*.  trans-54.1105.7140.6-104.5-69.6000100.2R185 D189 K193R185-Y187 HydrophobicContact CB-CD2 4.42Å; R185-Y187 PolarHBondContact O-N 3.32Å; Y187-D189 PolarHBondContact O-N 3.37Å; Y187-D189 VanDerWaalsContact O-N 3.09Å; Y187-K193 HydrophobicContact CD1-CD 3.89Å; Y187-K193 HydrophobicContact CE1-CD 3.76Å
188P55.3Low65.6Low38 Ų3889.1 Ų89.125%0.24742%0.422CS..  trans-42.9131.2158.224-36.8000104.8N186 T192 K193 I196N186-P188 VanDerWaalsContact C-CD 3.45Å; N186-P188 WeakPolarHBondContact O-CD 3.38Å; P188-T192 HydrophobicContact CB-CG2 3.29Å; P188-K193 HydrophobicContact CB-CB 4.4Å; P188-K193 HydrophobicContact CG-CB 3.79Å; P188-K193 HydrophobicContact CG-CG 4.3Å; P188-I196 HydrophobicContact CB-CD1 4.2Å; P188-I196 HydrophobicContact CG-CD1 3.99Å
189D59.7Low65Low91 Ų9193.2 Ų93.249%0.48744%0.439SS..  trans-46.1155.7179.275.787.3000108.2Y187 L191 T192 K193Y187-D189 PolarHBondContact O-N 3.37Å; Y187-D189 VanDerWaalsContact O-N 3.09Å; D189-L191 CarbonylContact O-C 3.57Å; D189-L191 PolarHBondContact O-N 3.13Å; D189-L191 WeakPolarHBondContact OD1-CA 3.34Å; D189-L191 WeakPolarHBondContact OD1-CB 3.41Å; D189-L191 PolarHBondContact OD1-N 3.05Å; D189-T192 CarbonylContact O-C 3.5Å; D189-T192 WeakPolarHBondContact O-CA 3.36Å; D189-T192 PolarHBondContact O-N 3.18Å; D189-T192 PolarHBondContact OD1-N 3.46Å; D189-T192 WeakPolarHBondContact OD2-CB 3.25Å; D189-T192 PolarHBondContact OD2-N 3.02Å; D189-T192 PolarHBondContact OD2-OG1 3.08Å; D189-K193 PolarHBondContact O-N 3.22Å
190M56.9Low64.7Low142 Ų14297.2 Ų97.270%0.745%0.454SS*.Hα-helixtrans-44.2-36.9-171.7-171.1-179.6-178.100112.6E194M190-E194 VanDerWaalsContact O-CB 3.26Å; M190-E194 WeakPolarHBondContact O-CB 3.46Å; M190-E194 PolarHBondContact O-N 3.24Å
191L54.5Low64.7Low40 Ų4097.7 Ų97.721%0.20946%0.462CS..Hα-helixtrans-66.3-47.9174.3-168.366.9000113.7D189 E194 K195 A285 E286D189-L191 CarbonylContact O-C 3.57Å; D189-L191 PolarHBondContact O-N 3.13Å; D189-L191 WeakPolarHBondContact OD1-CA 3.34Å; D189-L191 WeakPolarHBondContact OD1-CB 3.41Å; D189-L191 PolarHBondContact OD1-N 3.05Å; L191-E194 PolarHBondContact O-N 3.25Å; L191-K195 WeakPolarHBondContact O-CB 3.21Å; L191-K195 WeakPolarHBondContact O-CG 3.42Å; L191-K195 PolarHBondContact O-N 3.36Å; L191-A285 HydrophobicContact CD1-CB 3.48Å; L191-A285 VanDerWaalsContact CD1-CB 3.48Å; L191-A285 WeakPolarHBondContact CD1-O 3.3Å; L191-A285 HydrophobicContact CD2-CB 4.35Å; L191-E286 HydrophobicContact CD1-CG 4.39Å
192T64.2Low64.9Low52 Ų5295 Ų9532%0.31945%0.45SS..Hα-helixtrans-67.9-35.7178.2-57.50000111.3P188 D189 E194 K195 I196P188-T192 HydrophobicContact CB-CG2 3.29Å; D189-T192 CarbonylContact O-C 3.5Å; D189-T192 WeakPolarHBondContact O-CA 3.36Å; D189-T192 PolarHBondContact O-N 3.18Å; D189-T192 PolarHBondContact OD1-N 3.46Å; D189-T192 WeakPolarHBondContact OD2-CB 3.25Å; D189-T192 PolarHBondContact OD2-N 3.02Å; D189-T192 PolarHBondContact OD2-OG1 3.08Å; T192-E194 VanDerWaalsContact C-N 3.3Å; T192-E194 PolarHBondContact O-N 3.29Å; T192-K195 PolarHBondContact O-N 3.09Å; T192-I196 HydrophobicContact CG2-CD1 4.34Å; T192-I196 WeakPolarHBondContact O-CG1 3.31Å; T192-I196 PolarHBondContact O-N 2.78Å
193K65.2Low65.4Low83 Ų8395 Ų9536%0.36145%0.451SS..Hα-helixtrans-62.2-45.2174.7-170.5-172.1176.2178.20109.5Y187 P188 D189 I196 L197Y187-K193 HydrophobicContact CD1-CD 3.89Å; Y187-K193 HydrophobicContact CE1-CD 3.76Å; P188-K193 HydrophobicContact CB-CB 4.4Å; P188-K193 HydrophobicContact CG-CB 3.79Å; P188-K193 HydrophobicContact CG-CG 4.3Å; D189-K193 PolarHBondContact O-N 3.22Å; K193-I196 PolarHBondContact O-N 3.32Å; K193-L197 HydrophobicContact CD-CD1 4.45Å; K193-L197 HydrophobicContact CG-CD1 3.98Å; K193-L197 WeakPolarHBondContact O-CB 3.27Å; K193-L197 VanDerWaalsContact O-CG 3.3Å; K193-L197 WeakPolarHBondContact O-CG 3.47Å; K193-L197 PolarHBondContact O-N 3.15Å
194E65.7Low66.1Low25 Ų2596.3 Ų96.312%0.11746%0.461CS..Hα-helixtrans-67.2-39.5179-162.858.9-151.800111.6M190 L191 T192 I196 L197 R198 L234 E286M190-E194 VanDerWaalsContact O-CB 3.26Å; M190-E194 WeakPolarHBondContact O-CB 3.46Å; M190-E194 PolarHBondContact O-N 3.24Å; L191-E194 PolarHBondContact O-N 3.25Å; T192-E194 VanDerWaalsContact C-N 3.3Å; T192-E194 PolarHBondContact O-N 3.29Å; E194-I196 VanDerWaalsContact C-N 3.33Å; E194-I196 PolarHBondContact O-N 2.92Å; E194-L197 PolarHBondContact O-N 3.19Å; E194-L197 WeakPolarHBondContact OE2-CD1 3.21Å; E194-R198 WeakPolarHBondContact O-CB 3.33Å; E194-R198 VanDerWaalsContact O-CG 3.28Å; E194-R198 WeakPolarHBondContact O-CG 3.25Å; E194-R198 PolarHBondContact O-N 3.1Å; E194-L234 HydrophobicContact CG-CD1 4.38Å; E194-E286 WeakPolarHBondContact CG-O 3.28Å
195K68.9Low67.1Low108 Ų10892.9 Ų92.947%0.4744%0.441SS..Hα-helixtrans-57-44.9171.5-79.1175.3-179.3174.20112.1L191 T192 R198 Q199L191-K195 WeakPolarHBondContact O-CB 3.21Å; L191-K195 WeakPolarHBondContact O-CG 3.42Å; L191-K195 PolarHBondContact O-N 3.36Å; T192-K195 PolarHBondContact O-N 3.09Å; K195-R198 PolarHBondContact O-N 3.31Å; K195-Q199 WeakPolarHBondContact O-CG 3.39Å; K195-Q199 PolarHBondContact O-N 3.09Å; K195-Q199 VanDerWaalsContact O-N 3.15Å
196I70.6Confident68.4Low89 Ų8990.3 Ų90.346%0.45644%0.436SS..Hα-helixtrans-67.1-41.6177.6-67168000110.7P188 T192 K193 E194 R198 Q199 R200P188-I196 HydrophobicContact CB-CD1 4.2Å; P188-I196 HydrophobicContact CG-CD1 3.99Å; T192-I196 HydrophobicContact CG2-CD1 4.34Å; T192-I196 WeakPolarHBondContact O-CG1 3.31Å; T192-I196 PolarHBondContact O-N 2.78Å; K193-I196 PolarHBondContact O-N 3.32Å; E194-I196 VanDerWaalsContact C-N 3.33Å; E194-I196 PolarHBondContact O-N 2.92Å; I196-R198 VanDerWaalsContact C-N 3.31Å; I196-R198 PolarHBondContact O-N 2.75Å; I196-Q199 PolarHBondContact O-N 3.03Å; I196-R200 PolarHBondContact O-N 2.84Å; I196-R200 VanDerWaalsContact O-N 3.1Å
197L68.5Low69.6Low30 Ų3090.5 Ų90.516%0.15745%0.445CS..Hα-helixtrans-61.1-39.2175.2-75.3161.1000111.7K193 E194 Q199 R200 L217K193-L197 HydrophobicContact CD-CD1 4.45Å; K193-L197 HydrophobicContact CG-CD1 3.98Å; K193-L197 WeakPolarHBondContact O-CB 3.27Å; K193-L197 VanDerWaalsContact O-CG 3.3Å; K193-L197 WeakPolarHBondContact O-CG 3.47Å; K193-L197 PolarHBondContact O-N 3.15Å; E194-L197 PolarHBondContact O-N 3.19Å; E194-L197 WeakPolarHBondContact OE2-CD1 3.21Å; L197-Q199 VanDerWaalsContact C-N 3.33Å; L197-Q199 PolarHBondContact O-N 2.05Å; L197-R200 WeakPolarHBondContact O-CB 3.08Å; L197-R200 PolarHBondContact O-N 2.97Å; L197-L217 HydrophobicContact CB-CD1 4.27Å; L197-L217 HydrophobicContact CD2-CD1 4.04Å
198R67.1Low70.8Confident65 Ų6589.3 Ų89.325%0.24545%0.448CS..Hα-helixtrans-65.7-32.9176-73.5179.7-164.8159.610.6113.1E194 K195 I196 K233 A285 E286E194-R198 WeakPolarHBondContact O-CB 3.33Å; E194-R198 VanDerWaalsContact O-CG 3.28Å; E194-R198 WeakPolarHBondContact O-CG 3.25Å; E194-R198 PolarHBondContact O-N 3.1Å; K195-R198 PolarHBondContact O-N 3.31Å; I196-R198 VanDerWaalsContact C-N 3.31Å; I196-R198 PolarHBondContact O-N 2.75Å; R198-K233 PolarHBondContact O-NZ 3.14Å; R198-A285 PolarHBondContact NH1-O 3.29Å; R198-A285 PolarHBondContact NH2-O 3.36Å; R198-E286 PolarHBondContact NH2-O 3.31Å
199Q71.9Confident72Confident162 Ų16288.9 Ų88.976%0.75745%0.446SS*.Hα-helixtrans-83-13.4176.8-68.8176.70.300113.5K195 I196 L197K195-Q199 WeakPolarHBondContact O-CG 3.39Å; K195-Q199 PolarHBondContact O-N 3.09Å; K195-Q199 VanDerWaalsContact O-N 3.15Å; I196-Q199 PolarHBondContact O-N 3.03Å; L197-Q199 VanDerWaalsContact C-N 3.33Å; L197-Q199 PolarHBondContact O-N 2.05Å
200R74.7Confident73.3Confident130 Ų13092.1 Ų92.149%0.49146%0.456SS..SBendtrans-74.9141.9-175.6-152.4171.6-174.9160.12.2111.2I196 L197 K233I196-R200 PolarHBondContact O-N 2.84Å; I196-R200 VanDerWaalsContact O-N 3.1Å; L197-R200 WeakPolarHBondContact O-CB 3.08Å; L197-R200 PolarHBondContact O-N 2.97Å; R200-K233 PolarHBondContact O-NZ 3.15Å
201N78.2Confident74.8Confident133 Ų13386 Ų8671%0.71143%0.427SS*.PPolyproline II helixtrans-64.4145.7169.1-73.1-25.3000110.4R203N201-R203 PolarHBondContact O-N 3.44Å
202P82.3Confident76.5Confident29 Ų2985.5 Ų85.519%0.18843%0.427CS..PPolyproline II helixtrans-56.3134.8177.3-20.628.9000111.7C205 K213 T216P202-C205 HydrophobicContact CB-CB 4.3Å; P202-C205 WeakPolarHBondContact CB-SG 3.03Å; P202-K213 WeakPolarHBondContact CD-O 3.27Å; P202-K213 WeakPolarHBondContact CG-O 3.02Å; P202-T216 HydrophobicContact CB-CG2 4.13Å; P202-T216 WeakPolarHBondContact CG-O 3.36Å
203R81.7Confident77.5Confident110 Ų11091 Ų9142%0.41545%0.446SS..BIsolated β-bridgetrans-89.3149.3176.4-72.9-178.2-88.3178.7-3.7111.7N201 C205 L217 F218 C219N201-R203 PolarHBondContact O-N 3.44Å; R203-C205 PolarHBondContact O-N 3.49Å; R203-C205 VanDerWaalsContact O-N 3.09Å; R203-C205 PolarHBondContact O-SG 3.08Å; R203-L217 PolarHBondContact N-O 3.44Å; R203-F218 HydrophobicContact CB-CB 3.98Å; R203-F218 CarbonylContact O-C 3.43Å; R203-F218 WeakPolarHBondContact O-CA 3.37Å; R203-F218 WeakPolarHBondContact O-CB 3.14Å; R203-C219 PolarHBondContact O-N 3.02Å
204N83.3Confident78.5Confident147 Ų14792.6 Ų92.679%0.78646%0.459SS*.SBendtrans55.323.7175.1-60.8-0.5000115C219N204-C219 WeakPolarHBondContact O-CB 3.14Å
205C82.5Confident79.5Confident36 Ų3691.4 Ų91.424%0.24345%0.453CS..  trans-92.1124.4175.8-61.70000109.5P202 R203 C219P202-C205 HydrophobicContact CB-CB 4.3Å; P202-C205 WeakPolarHBondContact CB-SG 3.03Å; R203-C205 PolarHBondContact O-N 3.49Å; R203-C205 VanDerWaalsContact O-N 3.09Å; R203-C205 PolarHBondContact O-SG 3.08Å; C205-C219 VanDerWaalsContact CA-SG 3.51Å; C205-C219 HydrophobicContact CB-CB 3.88Å; C205-C219 WeakPolarHBondContact CB-SG 3.15Å; C205-C219 WeakPolarHBondContact SG-CB 3.28Å; C205-C219 PolarHBondContact SG-N 3.12Å; C205-C219 VanDerWaalsContact SG-N 3.39Å; C205-C219 CovalentContact SG-SG 2.03Å; C205-C219 PolarHBondContact SG-SG 3.03Å
206E81.1Confident80.5Confident100 Ų10086.3 Ų86.347%0.46743%0.431SS..  trans-61.7148.7171.8-61.5-171.5164.400110.4N208 S209E206-N208 WeakPolarHBondContact CB-OD1 3.33Å; E206-N208 PolarHBondContact O-N 3.46Å; E206-N208 VanDerWaalsContact O-N 3.12Å; E206-N208 PolarHBondContact OE2-OD1 2.95Å; E206-S209 VanDerWaalsContact O-CB 3.31Å; E206-S209 WeakPolarHBondContact O-CB 3.49Å; E206-S209 PolarHBondContact O-N 2.92Å; E206-S209 PolarHBondContact O-OG 3.27Å
207P76.5Confident81.2Confident145 Ų14583.5 Ų83.594%0.94242%0.417SS*.THydrogen-bonded Turntrans-58.3-27.4-177.3-23.632.7000114.4
208N77.8Confident82Confident121 Ų12185.4 Ų85.465%0.64742%0.424SS*.THydrogen-bonded Turntrans-91.6-0.917861.7-13000113.3E206 K210E206-N208 WeakPolarHBondContact CB-OD1 3.33Å; E206-N208 PolarHBondContact O-N 3.46Å; E206-N208 VanDerWaalsContact O-N 3.12Å; E206-N208 PolarHBondContact OE2-OD1 2.95Å; N208-K210 PolarHBondContact O-N 3.24Å
209S81.5Confident83Confident28 Ų2882.5 Ų82.520%0.19641%0.414CS..  trans-62138179.880.90000110E206 C211E206-S209 VanDerWaalsContact O-CB 3.31Å; E206-S209 WeakPolarHBondContact O-CB 3.49Å; E206-S209 PolarHBondContact O-N 2.92Å; E206-S209 PolarHBondContact O-OG 3.27Å; S209-C211 PolarHBondContact O-N 2.94Å
210K86.1Confident83.7Confident160 Ų16077.9 Ų77.970%0.69640%0.396SS*.  trans-73.1-1.4176.7-68.7-179.5-179.3176.70112.9N208 Y240N208-K210 PolarHBondContact O-N 3.24Å; K210-Y240 HydrophobicContact CB-CD1 3.54Å; K210-Y240 HydrophobicContact CB-CE1 3.53Å; K210-Y240 HydrophobicContact CB-CG 4.15Å; K210-Y240 HydrophobicContact CD-CE1 4.05Å; K210-Y240 HydrophobicContact CG-CE1 4.4Å; K210-Y240 WeakPolarHBondContact O-CB 3.35Å
211C89.3Confident84Confident13 Ų1375.2 Ų75.29%0.08839%0.39CS..SBendtrans-65.7134.9-177.4-56.50000111.8S209 K213 T216 C219 C230S209-C211 PolarHBondContact O-N 2.94Å; C211-K213 PolarHBondContact O-N 3.2Å; C211-T216 HydrophobicContact CB-CG2 4.12Å; C211-T216 WeakPolarHBondContact CB-OG1 3.48Å; C211-C219 PolarHBondContact SG-SG 3.48Å; C211-C230 WeakPolarHBondContact CA-SG 3.41Å; C211-C230 HydrophobicContact CB-CB 3.81Å; C211-C230 WeakPolarHBondContact CB-SG 3.4Å; C211-C230 WeakPolarHBondContact SG-CB 3.18Å; C211-C230 CovalentContact SG-SG 2.02Å; C211-C230 PolarHBondContact SG-SG 3.47Å
212S90.5Very high83.9Confident30 Ų3070.4 Ų70.421%0.2136%0.364CS..  trans-62.5124.3177.9173.40000111.1N214 G215 T216 Y240 C241S212-N214 PolarHBondContact O-N 3.24Å; S212-G215 PolarHBondContact O-N 3.43Å; S212-G215 PolarHBondContact OG-N 3.24Å; S212-T216 PolarHBondContact N-OG1 3.13Å; S212-T216 WeakPolarHBondContact O-CB 3.08Å; S212-T216 PolarHBondContact O-N 2.93Å; S212-T216 PolarHBondContact O-OG1 3.4Å; S212-Y240 VanDerWaalsContact CB-O 3.24Å; S212-Y240 WeakPolarHBondContact CB-O 3.15Å; S212-Y240 PolarHBondContact N-O 3.24Å; S212-C241 WeakPolarHBondContact CB-O 3.47Å; S212-C241 PolarHBondContact OG-O 3.01Å
213K85.4Confident83.7Confident166 Ų16673.8 Ų73.872%0.72239%0.389SS*.THydrogen-bonded Turntrans-59.7-37.3177.5-66.4-176.3-179.3179.10112.5P202 C211P202-K213 WeakPolarHBondContact CD-O 3.27Å; P202-K213 WeakPolarHBondContact CG-O 3.02Å; C211-K213 PolarHBondContact O-N 3.2Å
214N84.9Confident83.7Confident118 Ų11873.6 Ų73.663%0.63140%0.396SS*.THydrogen-bonded Turntrans-81.9-35.4-176.8-68.2-11000111.8S212 K233S212-N214 PolarHBondContact O-N 3.24Å; N214-K233 VanDerWaalsContact O-CD 3.3Å; N214-K233 WeakPolarHBondContact O-CD 3Å; N214-K233 WeakPolarHBondContact O-CE 3.05Å; N214-K233 PolarHBondContact O-NZ 3.42Å
215G87.5Confident83.1Confident0 Ų075.6 Ų75.60%039%0.394CS..THydrogen-bonded Turntrans-96.1-15.4-173.700000116S212 K233 C241S212-G215 PolarHBondContact O-N 3.43Å; S212-G215 PolarHBondContact OG-N 3.24Å; G215-K233 WeakPolarHBondContact O-CG 3.27Å; G215-K233 PolarHBondContact O-N 2.98Å; G215-C241 WeakPolarHBondContact CA-O 3.41Å
216T89.2Confident82.6Confident0 Ų081 Ų810%042%0.416CS..EExtended strand (participates in β ladder)trans-89.8132.7-176.5-500000111.1P202 C211 S212 F218 C230 K233P202-T216 HydrophobicContact CB-CG2 4.13Å; P202-T216 WeakPolarHBondContact CG-O 3.36Å; C211-T216 HydrophobicContact CB-CG2 4.12Å; C211-T216 WeakPolarHBondContact CB-OG1 3.48Å; S212-T216 PolarHBondContact N-OG1 3.13Å; S212-T216 WeakPolarHBondContact O-CB 3.08Å; S212-T216 PolarHBondContact O-N 2.93Å; S212-T216 PolarHBondContact O-OG1 3.4Å; T216-F218 WeakPolarHBondContact CG2-O 3.23Å; T216-C230 HydrophobicContact CG2-CB 4.17Å; T216-K233 WeakPolarHBondContact O-CE 3.26Å
217L84.5Confident82.3Confident30 Ų3082.4 Ų82.416%0.15742%0.418CS..EExtended strand (participates in β ladder)trans-84-49.3173.8-172.669000110.8L197 R203 V231 K233L197-L217 HydrophobicContact CB-CD1 4.27Å; L197-L217 HydrophobicContact CD2-CD1 4.04Å; R203-L217 PolarHBondContact N-O 3.44Å; L217-V231 WeakPolarHBondContact CB-O 3.48Å; L217-V231 PolarHBondContact N-O 3.21Å; L217-K233 HydrophobicContact CB-CG 4.14Å; L217-K233 HydrophobicContact CD1-CG 4.3Å
218F87Confident82.6Confident71 Ų7177.4 Ų77.431%0.31139%0.385SS..EExtended strand (participates in β ladder)trans-157.2160.8172.264.6-85.9000110.7R203 T216 V231R203-F218 HydrophobicContact CB-CB 3.98Å; R203-F218 CarbonylContact O-C 3.43Å; R203-F218 WeakPolarHBondContact O-CA 3.37Å; R203-F218 WeakPolarHBondContact O-CB 3.14Å; T216-F218 WeakPolarHBondContact CG2-O 3.23Å; F218-V231 HydrophobicContact CD1-CB 4.09Å; F218-V231 HydrophobicContact CD1-CG1 4.24Å; F218-V231 HydrophobicContact CD2-CB 4.27Å; F218-V231 HydrophobicContact CD2-CG2 4.1Å; F218-V231 HydrophobicContact CE1-CB 3.82Å; F218-V231 HydrophobicContact CE1-CG1 3.61Å; F218-V231 HydrophobicContact CE1-CG2 4.21Å; F218-V231 HydrophobicContact CE2-CB 4.01Å; F218-V231 HydrophobicContact CE2-CG1 4.48Å; F218-V231 HydrophobicContact CE2-CG2 3.56Å; F218-V231 HydrophobicContact CG-CB 4.31Å; F218-V231 HydrophobicContact CZ-CB 3.78Å; F218-V231 HydrophobicContact CZ-CG1 3.75Å; F218-V231 HydrophobicContact CZ-CG2 3.63Å; F218-V231 PolarHBondContact N-O 2.83Å; F218-V231 WeakPolarHBondContact O-CB 3.22Å; F218-V231 PolarHBondContact O-N 2.97Å
219C87.2Confident83Confident4 Ų474.4 Ų74.43%0.02737%0.368CS..EExtended strand (participates in β ladder)trans-102.5144.5171.6-61.50000110.3R203 N204 C205 C211 T228 I229R203-C219 PolarHBondContact O-N 3.02Å; N204-C219 WeakPolarHBondContact O-CB 3.14Å; C205-C219 VanDerWaalsContact CA-SG 3.51Å; C205-C219 HydrophobicContact CB-CB 3.88Å; C205-C219 WeakPolarHBondContact CB-SG 3.15Å; C205-C219 WeakPolarHBondContact SG-CB 3.28Å; C205-C219 PolarHBondContact SG-N 3.12Å; C205-C219 VanDerWaalsContact SG-N 3.39Å; C205-C219 CovalentContact SG-SG 2.03Å; C205-C219 PolarHBondContact SG-SG 3.03Å; C211-C219 PolarHBondContact SG-SG 3.48Å; C219-T228 HydrophobicContact CB-CG2 3.63Å; C219-I229 WeakPolarHBondContact CA-O 3.27Å
220T86.2Confident83.2Confident64 Ų6473.6 Ų73.639%0.39336%0.362SS..EExtended strand (participates in β ladder)trans-134165.2172.4-169.40000108.8T228 I229 V231T220-T228 CarbonylContact O-C 3.58Å; T220-I229 HydrophobicContact CG2-CB 3.79Å; T220-I229 HydrophobicContact CG2-CG2 4.09Å; T220-I229 PolarHBondContact N-O 2.98Å; T220-I229 WeakPolarHBondContact O-CA 3.42Å; T220-I229 PolarHBondContact O-N 2.81Å; T220-V231 HydrophobicContact CG2-CG2 4.13Å
221M80.7Confident83.2Confident75 Ų7567.2 Ų67.237%0.36934%0.337SS..EExtended strand (participates in β ladder)trans-99.2151174.8-60.5-64.4-89.300109.4Y225 T228M221-Y225 HydrophobicContact CB-CD1 4.18Å; M221-Y225 WeakPolarHBondContact CE-O 3.42Å; M221-T228 HydrophobicContact SD-CG2 4.5Å
222D77.6Confident83Confident31 Ų3167.5 Ų67.517%0.16634%0.338CS..  trans-66.3167.5169.7-172.135.7000112.2N224 Y225 Y227 I229D222-N224 PolarHBondContact O-N 2.87Å; D222-N224 VanDerWaalsContact O-N 3.14Å; D222-Y225 WeakPolarHBondContact O-CA 3.24Å; D222-Y225 PolarHBondContact O-N 3.4Å; D222-Y227 HydrophobicContact CB-CD1 4.01Å; D222-Y227 HydrophobicContact CB-CD2 4.03Å; D222-Y227 HydrophobicContact CB-CE1 3.59Å; D222-Y227 HydrophobicContact CB-CE2 3.62Å; D222-Y227 HydrophobicContact CB-CG 4.22Å; D222-Y227 PolarHBondContact N-O 3.25Å; D222-Y227 VanDerWaalsContact N-O 3.1Å; D222-Y227 WeakPolarHBondContact OD2-CE1 3.33Å; D222-Y227 VanDerWaalsContact OD2-CZ 3.25Å; D222-Y227 PolarHBondContact OD2-OH 3.36Å; D222-Y227 VanDerWaalsContact OD2-OH 3.05Å; D222-I229 HydrophobicContact CB-CD1 3.76Å; D222-I229 HydrophobicContact CB-CG1 4.25Å
223S78.1Confident82.6Confident101 Ų10166.4 Ų66.471%0.70633%0.33SS*.THydrogen-bonded Turntrans-51.8-33.5178.2-47.90000113.3Y225S223-Y225 VanDerWaalsContact C-N 3.34Å
224N80.6Confident82.3Confident106 Ų10659 Ų5957%0.56730%0.298SS*.THydrogen-bonded Turntrans-87.5-1.1178.1-64.9-13.7000113.4D222 E226D222-N224 PolarHBondContact O-N 2.87Å; D222-N224 VanDerWaalsContact O-N 3.14Å; N224-E226 HydrophobicContact CB-CB 4.39Å; N224-E226 HydrophobicContact CB-CG 3.9Å; N224-E226 PolarHBondContact O-N 3.41Å; N224-E226 VanDerWaalsContact O-N 3.11Å
225Y71.3Confident82.1Confident188 Ų18854.6 Ų54.674%0.73728%0.275SS*.SBendtrans56.718.3-173-55-86.4000114.6M221 D222 S223M221-Y225 HydrophobicContact CB-CD1 4.18Å; M221-Y225 WeakPolarHBondContact CE-O 3.42Å; D222-Y225 WeakPolarHBondContact O-CA 3.24Å; D222-Y225 PolarHBondContact O-N 3.4Å; S223-Y225 VanDerWaalsContact C-N 3.34Å
226E71.2Confident82.1Confident151 Ų15156.5 Ų56.571%0.70628%0.282SS*.SBendtrans-87.1-32.1-173.7-73.7178.5168.500113.5N224N224-E226 HydrophobicContact CB-CB 4.39Å; N224-E226 HydrophobicContact CB-CG 3.9Å; N224-E226 PolarHBondContact O-N 3.41Å; N224-E226 VanDerWaalsContact O-N 3.11Å
227Y75.9Confident81.9Confident128 Ų12858.6 Ų58.650%0.50229%0.292SS..SBendtrans-137146.1-178.160.3-89.6000112.8D222 I229D222-Y227 HydrophobicContact CB-CD1 4.01Å; D222-Y227 HydrophobicContact CB-CD2 4.03Å; D222-Y227 HydrophobicContact CB-CE1 3.59Å; D222-Y227 HydrophobicContact CB-CE2 3.62Å; D222-Y227 HydrophobicContact CB-CG 4.22Å; D222-Y227 PolarHBondContact N-O 3.25Å; D222-Y227 VanDerWaalsContact N-O 3.1Å; D222-Y227 WeakPolarHBondContact OD2-CE1 3.33Å; D222-Y227 VanDerWaalsContact OD2-CZ 3.25Å; D222-Y227 PolarHBondContact OD2-OH 3.36Å; D222-Y227 VanDerWaalsContact OD2-OH 3.05Å; Y227-I229 HydrophobicContact CD2-CG1 3.85Å; Y227-I229 HydrophobicContact CE2-CD1 4.04Å; Y227-I229 HydrophobicContact CE2-CG1 3.59Å
228T83Confident81.9Confident40 Ų4058.4 Ų58.425%0.24530%0.298CS..EExtended strand (participates in β ladder)trans-75.9120.7172.1-490000110C219 T220 M221C219-T228 HydrophobicContact CB-CG2 3.63Å; T220-T228 CarbonylContact O-C 3.58Å; M221-T228 HydrophobicContact SD-CG2 4.5Å
229I84.5Confident81.8Confident58 Ų5861.7 Ų61.730%0.29732%0.318SS..EExtended strand (participates in β ladder)trans-90.2123.2170.5-60.9174.1000108.6C219 T220 D222 Y227C219-I229 WeakPolarHBondContact CA-O 3.27Å; T220-I229 HydrophobicContact CG2-CB 3.79Å; T220-I229 HydrophobicContact CG2-CG2 4.09Å; T220-I229 PolarHBondContact N-O 2.98Å; T220-I229 WeakPolarHBondContact O-CA 3.42Å; T220-I229 PolarHBondContact O-N 2.81Å; D222-I229 HydrophobicContact CB-CD1 3.76Å; D222-I229 HydrophobicContact CB-CG1 4.25Å; Y227-I229 HydrophobicContact CD2-CG1 3.85Å; Y227-I229 HydrophobicContact CE2-CD1 4.04Å; Y227-I229 HydrophobicContact CE2-CG1 3.59Å
230C87.6Confident81.9Confident12 Ų1266.2 Ų66.28%0.08134%0.335CS..EExtended strand (participates in β ladder)trans-86.6116.7174.1-44.50000109.4C211 T216 N239C211-C230 WeakPolarHBondContact CA-SG 3.41Å; C211-C230 HydrophobicContact CB-CB 3.81Å; C211-C230 WeakPolarHBondContact CB-SG 3.4Å; C211-C230 WeakPolarHBondContact SG-CB 3.18Å; C211-C230 CovalentContact SG-SG 2.02Å; C211-C230 PolarHBondContact SG-SG 3.47Å; T216-C230 HydrophobicContact CG2-CB 4.17Å; C230-N239 PolarHBondContact SG-O 3.06Å
231V84.6Confident82.1Confident26 Ų2663.1 Ų63.116%0.15832%0.317CS..EExtended strand (participates in β ladder)trans-90.3115.8172.6-177.20000108.8L217 F218 T220L217-V231 WeakPolarHBondContact CB-O 3.48Å; L217-V231 PolarHBondContact N-O 3.21Å; F218-V231 HydrophobicContact CD1-CB 4.09Å; F218-V231 HydrophobicContact CD1-CG1 4.24Å; F218-V231 HydrophobicContact CD2-CB 4.27Å; F218-V231 HydrophobicContact CD2-CG2 4.1Å; F218-V231 HydrophobicContact CE1-CB 3.82Å; F218-V231 HydrophobicContact CE1-CG1 3.61Å; F218-V231 HydrophobicContact CE1-CG2 4.21Å; F218-V231 HydrophobicContact CE2-CB 4.01Å; F218-V231 HydrophobicContact CE2-CG1 4.48Å; F218-V231 HydrophobicContact CE2-CG2 3.56Å; F218-V231 HydrophobicContact CG-CB 4.31Å; F218-V231 HydrophobicContact CZ-CB 3.78Å; F218-V231 HydrophobicContact CZ-CG1 3.75Å; F218-V231 HydrophobicContact CZ-CG2 3.63Å; F218-V231 PolarHBondContact N-O 2.83Å; F218-V231 WeakPolarHBondContact O-CB 3.22Å; F218-V231 PolarHBondContact O-N 2.97Å; T220-V231 HydrophobicContact CG2-CG2 4.13Å
232C85.3Confident82.4Confident18 Ų1863.8 Ų63.812%0.12232%0.319CS..EExtended strand (participates in β ladder)trans-80.2155.4-170.9-50.90000113.2Y236 C241C232-Y236 VanDerWaalsContact CB-O 3.25Å; C232-Y236 WeakPolarHBondContact CB-O 3.44Å; C232-C241 WeakPolarHBondContact CA-SG 3.18Å; C232-C241 HydrophobicContact CB-CB 3.68Å; C232-C241 WeakPolarHBondContact CB-SG 3.28Å; C232-C241 PolarHBondContact N-SG 3.34Å; C232-C241 VanDerWaalsContact N-SG 3.36Å; C232-C241 WeakPolarHBondContact SG-CA 3.3Å; C232-C241 WeakPolarHBondContact SG-CB 3.38Å; C232-C241 CovalentContact SG-SG 2.04Å; C232-C241 PolarHBondContact SG-SG 3.45Å
233K82.9Confident82.9Confident7 Ų765.9 Ų65.93%0.0333%0.33CS..  trans-68.4157.2164.6-68170.4-179.6171.70109.6R198 R200 N214 G215 T216 L217 D235 Y236R198-K233 PolarHBondContact O-NZ 3.14Å; R200-K233 PolarHBondContact O-NZ 3.15Å; N214-K233 VanDerWaalsContact O-CD 3.3Å; N214-K233 WeakPolarHBondContact O-CD 3Å; N214-K233 WeakPolarHBondContact O-CE 3.05Å; N214-K233 PolarHBondContact O-NZ 3.42Å; G215-K233 WeakPolarHBondContact O-CG 3.27Å; G215-K233 PolarHBondContact O-N 2.98Å; T216-K233 WeakPolarHBondContact O-CE 3.26Å; L217-K233 HydrophobicContact CB-CG 4.14Å; L217-K233 HydrophobicContact CD1-CG 4.3Å; K233-D235 PolarHBondContact O-N 3.07Å; K233-Y236 HydrophobicContact CB-CD2 4.28Å; K233-Y236 PolarHBondContact O-N 3.02Å; K233-Y236 VanDerWaalsContact O-O 3.06Å
234L79.5Confident83.3Confident11 Ų1167.6 Ų67.66%0.05833%0.325CS..THydrogen-bonded Turntrans-57.1-23.2-174.8-76.1176.4000115.1E194 I245 H254 L256 Q257E194-L234 HydrophobicContact CG-CD1 4.38Å; L234-I245 WeakPolarHBondContact O-CD1 3.21Å; L234-H254 WeakPolarHBondContact CD2-ND1 3.24Å; L234-L256 HydrophobicContact CD2-CB 4.11Å; L234-Q257 HydrophobicContact CD2-CG 4.07Å
235D80.6Confident83.6Confident26 Ų2663.3 Ų63.314%0.13930%0.302CS..THydrogen-bonded Turntrans-99.93.5179.263-38.5000114.2K233 K244 I245 I283K233-D235 PolarHBondContact O-N 3.07Å; D235-K244 CarbonylContact O-C 3.6Å; D235-K244 WeakPolarHBondContact O-CA 3.43Å; D235-I245 PolarHBondContact O-N 3.26Å; D235-I283 HydrophobicContact CB-CD1 4.42Å
236Y85.8Confident84.4Confident40 Ų4057 Ų5716%0.15728%0.28CS..EExtended strand (participates in β ladder)trans-125.3151.9179.4-73.2-97.3000112.8C232 K233 C241 D243 K244 I245C232-Y236 VanDerWaalsContact CB-O 3.25Å; C232-Y236 WeakPolarHBondContact CB-O 3.44Å; K233-Y236 HydrophobicContact CB-CD2 4.28Å; K233-Y236 PolarHBondContact O-N 3.02Å; K233-Y236 VanDerWaalsContact O-O 3.06Å; Y236-C241 WeakPolarHBondContact CD1-O 3.3Å; Y236-D243 CarbonylContact C-O 3.56Å; Y236-D243 WeakPolarHBondContact CA-O 3.27Å; Y236-D243 WeakPolarHBondContact CD1-O 3.36Å; Y236-K244 HydrophobicContact CD1-CG 4.35Å; Y236-K244 HydrophobicContact CE1-CG 3.96Å; Y236-I245 VanDerWaalsContact O-CD1 3.26Å; Y236-I245 WeakPolarHBondContact O-CD1 3.26Å
237H86.5Confident85.4Confident43 Ų4349.9 Ų49.920%0.19925%0.248CC..EExtended strand (participates in β ladder)trans-147.6-175174.877.8103.8000112.2C241 Q242 D243 K244 I245 F250H237-C241 CarbonylContact O-C 3.55Å; H237-C241 VanDerWaalsContact O-CA 3.25Å; H237-C241 WeakPolarHBondContact O-CA 3.15Å; H237-Q242 PolarHBondContact O-N 3.36Å; H237-D243 PolarHBondContact N-O 2.9Å; H237-D243 PolarHBondContact O-N 3.48Å; H237-K244 PolarHBondContact CD2-O 3.37Å; H237-K244 PolarHBondContact NE2-O 3.25Å; H237-I245 HydrophobicContact CB-CD1 4.24Å; H237-I245 HydrophobicContact CB-CG1 3.64Å; H237-F250 AromaticContact CE1-CD2 3.42Å; H237-F250 VanDerWaalsContact CE1-CD2 3.42Å; H237-F250 WeakPolarHBondContact CE1-CD2 3.25Å; H237-F250 AromaticContact CE1-CE2 3.44Å; H237-F250 VanDerWaalsContact CE1-CE2 3.44Å; H237-F250 WeakPolarHBondContact CE1-CE2 3.3Å; H237-F250 AromaticContact NE2-CD2 3.68Å; H237-F250 AromaticContact NE2-CE2 3.7Å
238G84.7Confident86.2Confident27 Ų2744 Ų4428%0.27823%0.226SC..SBendtrans96.5163.7-175.700000111.2Y240 C241G238-Y240 PolarHBondContact O-N 3.41Å; G238-C241 PolarHBondContact O-N 2.75Å
239N84.4Confident86.7Confident140 Ų14046.6 Ų46.675%0.74924%0.237SC*.THydrogen-bonded Turntrans-58.1-25.5-176-64.1-6000113C230C230-N239 PolarHBondContact SG-O 3.06Å
240Y89.7Confident86.9Confident98 Ų9848.7 Ų48.738%0.38424%0.244SC..THydrogen-bonded Turntrans-11915.7178.6-51.4-68.3000113.4K210 S212 G238 Q242K210-Y240 HydrophobicContact CB-CD1 3.54Å; K210-Y240 HydrophobicContact CB-CE1 3.53Å; K210-Y240 HydrophobicContact CB-CG 4.15Å; K210-Y240 HydrophobicContact CD-CE1 4.05Å; K210-Y240 HydrophobicContact CG-CE1 4.4Å; K210-Y240 WeakPolarHBondContact O-CB 3.35Å; S212-Y240 VanDerWaalsContact CB-O 3.24Å; S212-Y240 WeakPolarHBondContact CB-O 3.15Å; S212-Y240 PolarHBondContact N-O 3.24Å; G238-Y240 PolarHBondContact O-N 3.41Å; Y240-Q242 VanDerWaalsContact C-OE1 3.28Å; Y240-Q242 VanDerWaalsContact CA-OE1 3.32Å; Y240-Q242 PolarHBondContact O-N 3.35Å
241C88.8Confident87Confident0 Ų054.5 Ų54.50%027%0.265CS..SBendtrans55.331.2-178.1-47.60000113.7S212 G215 C232 Y236 H237 G238S212-C241 WeakPolarHBondContact CB-O 3.47Å; S212-C241 PolarHBondContact OG-O 3.01Å; G215-C241 WeakPolarHBondContact CA-O 3.41Å; C232-C241 WeakPolarHBondContact CA-SG 3.18Å; C232-C241 HydrophobicContact CB-CB 3.68Å; C232-C241 WeakPolarHBondContact CB-SG 3.28Å; C232-C241 PolarHBondContact N-SG 3.34Å; C232-C241 VanDerWaalsContact N-SG 3.36Å; C232-C241 WeakPolarHBondContact SG-CA 3.3Å; C232-C241 WeakPolarHBondContact SG-CB 3.38Å; C232-C241 CovalentContact SG-SG 2.04Å; C232-C241 PolarHBondContact SG-SG 3.45Å; Y236-C241 WeakPolarHBondContact CD1-O 3.3Å; H237-C241 CarbonylContact O-C 3.55Å; H237-C241 VanDerWaalsContact O-CA 3.25Å; H237-C241 WeakPolarHBondContact O-CA 3.15Å; G238-C241 PolarHBondContact O-N 2.75Å
242Q88.1Confident86.9Confident88 Ų8853.9 Ų53.941%0.41126%0.26SS..  trans-82.6-25.9-17472.3-75-8.600113.1H237 Y240H237-Q242 PolarHBondContact O-N 3.36Å; Y240-Q242 VanDerWaalsContact C-OE1 3.28Å; Y240-Q242 VanDerWaalsContact CA-OE1 3.32Å; Y240-Q242 PolarHBondContact O-N 3.35Å
243D87.6Confident86.5Confident75 Ų7559.3 Ų59.340%0.40128%0.284SS..EExtended strand (participates in β ladder)trans-104.1143.3-171.7-61.4-48.2000110.7Y236 H237Y236-D243 CarbonylContact C-O 3.56Å; Y236-D243 WeakPolarHBondContact CA-O 3.27Å; Y236-D243 WeakPolarHBondContact CD1-O 3.36Å; H237-D243 PolarHBondContact N-O 2.9Å; H237-D243 PolarHBondContact O-N 3.48Å
244K85.7Confident86Confident137 Ų13760.4 Ų60.460%0.59629%0.289SS*.EExtended strand (participates in β ladder)trans-74.9139.6170.7-77.6-166.1174.2-171.80110.4D235 Y236 H237 N246D235-K244 CarbonylContact O-C 3.6Å; D235-K244 WeakPolarHBondContact O-CA 3.43Å; Y236-K244 HydrophobicContact CD1-CG 4.35Å; Y236-K244 HydrophobicContact CE1-CG 3.96Å; H237-K244 PolarHBondContact CD2-O 3.37Å; H237-K244 PolarHBondContact NE2-O 3.25Å; K244-N246 PolarHBondContact O-N 3.09Å
245I87Confident85.5Confident16 Ų1666.7 Ų66.78%0.08232%0.318CS..  trans-61.3127.6179.3-77.3164.8000110.5L234 D235 Y236 H237 I252 A289L234-I245 WeakPolarHBondContact O-CD1 3.21Å; D235-I245 PolarHBondContact O-N 3.26Å; Y236-I245 VanDerWaalsContact O-CD1 3.26Å; Y236-I245 WeakPolarHBondContact O-CD1 3.26Å; H237-I245 HydrophobicContact CB-CD1 4.24Å; H237-I245 HydrophobicContact CB-CG1 3.64Å; I245-I252 HydrophobicContact CD1-CG2 4.38Å; I245-I252 HydrophobicContact CG2-CD1 3.62Å; I245-I252 HydrophobicContact CG2-CG1 3.86Å; I245-A289 HydrophobicContact CB-CB 4.34Å; I245-A289 HydrophobicContact CG2-CB 3.4Å
246N89.5Confident85Confident55 Ų5570 Ų7029%0.29434%0.335SS..  trans-122.599.6168.2-173-28000108.9K244 C248 L249 F250 A281K244-N246 PolarHBondContact O-N 3.09Å; N246-C248 PolarHBondContact O-N 2.03Å; N246-C248 VanDerWaalsContact O-N 3.12Å; N246-C248 VanDerWaalsContact OD1-CB 3.26Å; N246-C248 WeakPolarHBondContact OD1-CB 3.17Å; N246-C248 PolarHBondContact OD1-N 2.03Å; N246-L249 HydrophobicContact CB-CB 4.28Å; N246-L249 HydrophobicContact CB-CD1 4.05Å; N246-L249 HydrophobicContact CB-CG 4.19Å; N246-L249 PolarHBondContact O-N 2.73Å; N246-L249 PolarHBondContact OD1-N 2.83Å; N246-F250 PolarHBondContact O-N 2.87Å; N246-F250 VanDerWaalsContact O-N 3.08Å; N246-A281 WeakPolarHBondContact OD1-CB 3.35Å
247A90.8Very high84.4Confident2 Ų268.5 Ų68.52%0.01733%0.33CS..THydrogen-bonded Turntrans-59.6-20.8179.700000113.9I252 G266 A281 S290 Y291A247-I252 HydrophobicContact CB-CD1 3.37Å; A247-I252 HydrophobicContact CB-CG1 4.4Å; A247-G266 PolarHBondContact O-N 3.49Å; A247-A281 HydrophobicContact CB-CB 4.44Å; A247-S290 VanDerWaalsContact CB-C 3.47Å; A247-S290 WeakPolarHBondContact CB-O 3.3Å; A247-Y291 HydrophobicContact CB-CD1 4.16Å
248C94.6Very high83.6Confident6 Ų670 Ų704%0.04134%0.343CS..THydrogen-bonded Turntrans-75.3-35.8173.8-69.20000112.1N246 G266 N267 C279 I280 A281N246-C248 PolarHBondContact O-N 2.03Å; N246-C248 VanDerWaalsContact O-N 3.12Å; N246-C248 VanDerWaalsContact OD1-CB 3.26Å; N246-C248 WeakPolarHBondContact OD1-CB 3.17Å; N246-C248 PolarHBondContact OD1-N 2.03Å; C248-G266 PolarHBondContact O-N 2.95Å; C248-N267 WeakPolarHBondContact CB-OD1 3.47Å; C248-N267 WeakPolarHBondContact O-CB 3.48Å; C248-N267 VanDerWaalsContact O-CG 3.24Å; C248-N267 PolarHBondContact O-N 2.7Å; C248-C279 VanDerWaalsContact CA-SG 3.52Å; C248-C279 HydrophobicContact CB-CB 3.8Å; C248-C279 WeakPolarHBondContact CB-SG 3.42Å; C248-C279 WeakPolarHBondContact SG-CB 3.44Å; C248-C279 CovalentContact SG-SG 2.03Å; C248-C279 PolarHBondContact SG-SG 3.17Å; C248-I280 PolarHBondContact SG-N 3.49Å; C248-A281 HydrophobicContact CB-CB 4.44Å; C248-A281 PolarHBondContact SG-N 3.45Å
249L92.6Very high82.5Confident93 Ų9375.3 Ų75.349%0.48737%0.365SS..THydrogen-bonded Turntrans-85-38.1-176.8-63.9177.1000112.3N246 N267N246-L249 HydrophobicContact CB-CB 4.28Å; N246-L249 HydrophobicContact CB-CD1 4.05Å; N246-L249 HydrophobicContact CB-CG 4.19Å; N246-L249 PolarHBondContact O-N 2.73Å; N246-L249 PolarHBondContact OD1-N 2.83Å; L249-N267 WeakPolarHBondContact CD2-ND2 3.32Å
250F89.3Confident81.8Confident102 Ų10270.3 Ų70.345%0.44735%0.347SS..SBendtrans-125.8145.7-170.8-53.3-72.4000111.5H237 N246H237-F250 AromaticContact CE1-CD2 3.42Å; H237-F250 VanDerWaalsContact CE1-CD2 3.42Å; H237-F250 WeakPolarHBondContact CE1-CD2 3.25Å; H237-F250 AromaticContact CE1-CE2 3.44Å; H237-F250 VanDerWaalsContact CE1-CE2 3.44Å; H237-F250 WeakPolarHBondContact CE1-CE2 3.3Å; H237-F250 AromaticContact NE2-CD2 3.68Å; H237-F250 AromaticContact NE2-CE2 3.7Å; N246-F250 PolarHBondContact O-N 2.87Å; N246-F250 VanDerWaalsContact O-N 3.08Å
251R88.1Confident81.3Confident135 Ų13566.6 Ų66.651%0.50934%0.338SS..  trans-68.4129.4162.8-177.1-171.4177.9-166.16107.4E253 T262 L263R251-E253 WeakPolarHBondContact CD-OE1 3.23Å; R251-E253 HydrophobicContact CG-CG 4.45Å; R251-E253 IonicContact CZ-OE1 3.15Å; R251-E253 IonicContact NE-OE1 2.8Å; R251-E253 PolarHBondContact NE-OE1 3.16Å; R251-E253 IonicContact NH1-OE1 3.28Å; R251-E253 PolarHBondContact NH1-OE1 3.1Å; R251-E253 IonicContact NH2-OE1 3.51Å; R251-T262 WeakPolarHBondContact CG-O 3.24Å; R251-T262 PolarHBondContact NE-O 3.35Å; R251-L263 PolarHBondContact NE-O 3Å
252I83.9Confident81.1Confident12 Ų1267.5 Ų67.56%0.06234%0.343CS..  trans-98.3125.4-177.3-52.6159.7000108.2I245 A247 Q257 G261 T262 A289I245-I252 HydrophobicContact CD1-CG2 4.38Å; I245-I252 HydrophobicContact CG2-CD1 3.62Å; I245-I252 HydrophobicContact CG2-CG1 3.86Å; A247-I252 HydrophobicContact CB-CD1 3.37Å; A247-I252 HydrophobicContact CB-CG1 4.4Å; I252-Q257 VanDerWaalsContact CG2-NE2 3.26Å; I252-G261 CarbonylContact O-C 3.58Å; I252-G261 WeakPolarHBondContact O-CA 3.27Å; I252-T262 HydrophobicContact CB-CG2 4.39Å; I252-T262 HydrophobicContact CD1-CG2 3.93Å; I252-T262 HydrophobicContact CG1-CG2 4.44Å; I252-T262 PolarHBondContact N-OG1 3.45Å; I252-T262 PolarHBondContact O-N 2.9Å; I252-A289 HydrophobicContact CD1-CB 3.41Å; I252-A289 VanDerWaalsContact CD1-CB 3.41Å; I252-A289 WeakPolarHBondContact CD1-O 3.41Å
253E75.8Confident80.8Confident132 Ų13268.3 Ų68.362%0.61735%0.35SS*.BIsolated β-bridgetrans-124.2108.3176-65.7-179.7179.900107.7R251 G260R251-E253 WeakPolarHBondContact CD-OE1 3.23Å; R251-E253 HydrophobicContact CG-CG 4.45Å; R251-E253 IonicContact CZ-OE1 3.15Å; R251-E253 IonicContact NE-OE1 2.8Å; R251-E253 PolarHBondContact NE-OE1 3.16Å; R251-E253 IonicContact NH1-OE1 3.28Å; R251-E253 PolarHBondContact NH1-OE1 3.1Å; R251-E253 IonicContact NH2-OE1 3.51Å; E253-G260 WeakPolarHBondContact CA-O 3.35Å
254H73.1Confident80.9Confident30 Ų3066.8 Ų66.814%0.13934%0.341CS..  trans-149.2125.2179.2-164.7-83.9000110.9L234 L256 Q257 G260L234-H254 WeakPolarHBondContact CD2-ND1 3.24Å; H254-L256 PolarHBondContact ND1-N 2.97Å; H254-L256 PolarHBondContact O-N 2.87Å; H254-L256 VanDerWaalsContact O-N 3.13Å; H254-Q257 HydrophobicContact CB-CB 4.28Å; H254-Q257 HydrophobicContact CB-CG 3.96Å; H254-Q257 WeakPolarHBondContact O-CB 3.23Å; H254-Q257 PolarHBondContact O-N 3.18Å; H254-G260 PolarHBondContact N-O 3.18Å; H254-G260 CarbonylContact O-C 3.42Å
255H68.6Low81.2Confident143 Ų14360.9 Ų60.966%0.66232%0.319SS*.THydrogen-bonded Turntrans-61.7-23.6-174.865.6-77.6000114.7
256L70.8Confident81.5Confident97 Ų9760.1 Ų60.151%0.50832%0.315SS..THydrogen-bonded Turntrans-87.6-12.2174.4-56.8-179.3000113.9L234 H254L234-L256 HydrophobicContact CD2-CB 4.11Å; H254-L256 PolarHBondContact ND1-N 2.97Å; H254-L256 PolarHBondContact O-N 2.87Å; H254-L256 VanDerWaalsContact O-N 3.13Å
257Q72.8Confident81.8Confident8 Ų860 Ų604%0.03731%0.314CS..SBendtrans-78.4150.2177.3-78.9175.720.200111L234 I252 H254 N259 G260 G261L234-Q257 HydrophobicContact CD2-CG 4.07Å; I252-Q257 VanDerWaalsContact CG2-NE2 3.26Å; H254-Q257 HydrophobicContact CB-CB 4.28Å; H254-Q257 HydrophobicContact CB-CG 3.96Å; H254-Q257 WeakPolarHBondContact O-CB 3.23Å; H254-Q257 PolarHBondContact O-N 3.18Å; Q257-N259 PolarHBondContact O-N 3.09Å; Q257-G260 PolarHBondContact O-N 3.04Å; Q257-G261 VanDerWaalsContact OE1-CA 3.23Å
258P68.8Low82Confident74 Ų7464.2 Ų64.248%0.48134%0.339SS..G310 helixtrans-52131.2173.6-25.133.3000111.3G260 G261 D288P258-G260 PolarHBondContact O-N 2.93Å; P258-G260 VanDerWaalsContact O-N 3.09Å; P258-G261 PolarHBondContact O-N 3.1Å; P258-G261 VanDerWaalsContact O-N 3.08Å; P258-D288 WeakPolarHBondContact CD-OD1 3.16Å
259N63.1Low82Confident139 Ų13963.9 Ų63.974%0.74334%0.337SS*.G310 helixtrans55.521.8-177.7-53.5-42.7000115Q257 G261Q257-N259 PolarHBondContact O-N 3.09Å; N259-G261 VanDerWaalsContact C-N 3.3Å
260G69.5Low82.2Confident35 Ų3559.5 Ų59.536%0.36131%0.314SS..G310 helixtrans80.65.5-178.200000114.7E253 H254 Q257 P258E253-G260 WeakPolarHBondContact CA-O 3.35Å; H254-G260 PolarHBondContact N-O 3.18Å; H254-G260 CarbonylContact O-C 3.42Å; Q257-G260 PolarHBondContact O-N 3.04Å; P258-G260 PolarHBondContact O-N 2.93Å; P258-G260 VanDerWaalsContact O-N 3.09Å
261G79.4Confident82.4Confident20 Ų2056.1 Ų56.121%0.20630%0.301CS..BIsolated β-bridgetrans114.4-143.9179.400000113.4I252 Q257 P258 N259I252-G261 CarbonylContact O-C 3.58Å; I252-G261 WeakPolarHBondContact O-CA 3.27Å; Q257-G261 VanDerWaalsContact OE1-CA 3.23Å; P258-G261 PolarHBondContact O-N 3.1Å; P258-G261 VanDerWaalsContact O-N 3.08Å; N259-G261 VanDerWaalsContact C-N 3.3Å
262T83.3Confident82.7Confident18 Ų1851.6 Ų51.611%0.1129%0.288CS..  trans-96.4143.9-177.7670000112.1R251 I252 I264 Y291R251-T262 WeakPolarHBondContact CG-O 3.24Å; R251-T262 PolarHBondContact NE-O 3.35Å; I252-T262 HydrophobicContact CB-CG2 4.39Å; I252-T262 HydrophobicContact CD1-CG2 3.93Å; I252-T262 HydrophobicContact CG1-CG2 4.44Å; I252-T262 PolarHBondContact N-OG1 3.45Å; I252-T262 PolarHBondContact O-N 2.9Å; T262-I264 VanDerWaalsContact C-N 3.31Å; T262-I264 PolarHBondContact OG1-O 3.44Å; T262-Y291 HydrophobicContact CG2-CD1 4.24Å; T262-Y291 HydrophobicContact CG2-CE1 4.17Å
263L83.2Confident83.1Confident105 Ų10558.8 Ų58.855%0.5533%0.327SS..SBendtrans-70.4-30.3177.4-70.1172000112.3R251 P307 Y308R251-L263 PolarHBondContact NE-O 3Å; L263-P307 HydrophobicContact CD1-CG 3.84Å; L263-Y308 HydrophobicContact CB-CD1 4.22Å; L263-Y308 HydrophobicContact CD1-CD1 3.88Å
264I88.7Confident83.7Confident43 Ų4353.6 Ų53.622%0.22131%0.305CS..SBendtrans-153.5158-175.4-172.2164.9000109.7T262 T268 A269 Y291 Y308T262-I264 VanDerWaalsContact C-N 3.31Å; T262-I264 PolarHBondContact OG1-O 3.44Å; I264-T268 HydrophobicContact CD1-CG2 3.78Å; I264-T268 HydrophobicContact CG1-CG2 4.37Å; I264-A269 HydrophobicContact CG2-CB 3.79Å; I264-Y291 WeakPolarHBondContact O-CE1 3.28Å; I264-Y308 HydrophobicContact CG2-CD1 4.42Å; I264-Y308 HydrophobicContact CG2-CD2 3.81Å; I264-Y308 HydrophobicContact CG2-CE1 4.27Å; I264-Y308 HydrophobicContact CG2-CE2 3.65Å; I264-Y308 HydrophobicContact CG2-CG 4.2Å
265A92.8Very high84.2Confident14 Ų1457 Ų5712%0.11633%0.333CS..  trans-65.8137.9171.300000111.3N267 T268 A269A265-N267 PolarHBondContact O-N 3.18Å; A265-T268 PolarHBondContact O-N 2.87Å; A265-A269 PolarHBondContact O-N 3.11Å
266G92.7Very high85.1Confident0 Ų053 Ų530%033%0.33CS..Hα-helixtrans-64.1-33.9-173.500000114.4A247 C248 T268 A269 C270A247-G266 PolarHBondContact O-N 3.49Å; C248-G266 PolarHBondContact O-N 2.95Å; G266-T268 VanDerWaalsContact C-N 3.32Å; G266-T268 PolarHBondContact O-N 2.83Å; G266-A269 PolarHBondContact O-N 2.89Å; G266-C270 WeakPolarHBondContact O-CB 3.26Å; G266-C270 PolarHBondContact O-N 3.4Å; G266-C270 PolarHBondContact O-SG 2.9Å
267N96Very high86.3Confident51 Ų5149 Ų4927%0.27331%0.309SS..Hα-helixtrans-63.6-39.8177.4-82.1-7.5000111.9C248 L249 A265 N271 V272 C279C248-N267 WeakPolarHBondContact CB-OD1 3.47Å; C248-N267 WeakPolarHBondContact O-CB 3.48Å; C248-N267 VanDerWaalsContact O-CG 3.24Å; C248-N267 PolarHBondContact O-N 2.7Å; L249-N267 WeakPolarHBondContact CD2-ND2 3.32Å; A265-N267 PolarHBondContact O-N 3.18Å; N267-N271 PolarHBondContact O-N 3.44Å; N267-N271 VanDerWaalsContact O-N 3.13Å; N267-V272 HydrophobicContact CB-CG1 4.38Å; N267-V272 HydrophobicContact CB-CG2 3.64Å; N267-V272 PolarHBondContact O-N 3.12Å; N267-C279 WeakPolarHBondContact OD1-CB 3.45Å
268T95Very high87.4Confident91 Ų9154.1 Ų54.156%0.55833%0.331SS*.Hα-helixtrans-67.6-45.4174.6-48.80000110.5I264 A265 G266 N271I264-T268 HydrophobicContact CD1-CG2 3.78Å; I264-T268 HydrophobicContact CG1-CG2 4.37Å; A265-T268 PolarHBondContact O-N 2.87Å; G266-T268 VanDerWaalsContact C-N 3.32Å; G266-T268 PolarHBondContact O-N 2.83Å; T268-N271 PolarHBondContact O-N 2.89Å
269A94.6Very high88.7Confident0 Ų051.5 Ų51.50%031%0.314CS..Hα-helixtrans-65.8-4317900000113.3I264 A265 G266 N271 Y291 Y308 N310 C311 L312I264-A269 HydrophobicContact CG2-CB 3.79Å; A265-A269 PolarHBondContact O-N 3.11Å; G266-A269 PolarHBondContact O-N 2.89Å; A269-N271 PolarHBondContact O-N 2.75Å; A269-Y291 HydrophobicContact CB-CE2 3.85Å; A269-Y291 VanDerWaalsContact CB-OH 3.3Å; A269-Y291 WeakPolarHBondContact CB-OH 3.48Å; A269-Y308 HydrophobicContact CB-CD2 3.99Å; A269-Y308 HydrophobicContact CB-CE2 3.89Å; A269-N310 HydrophobicContact CB-CB 4.41Å; A269-N310 CarbonylContact O-C 3.41Å; A269-N310 WeakPolarHBondContact O-CA 3.46Å; A269-N310 VanDerWaalsContact O-CB 3.25Å; A269-N310 WeakPolarHBondContact O-CB 3.45Å; A269-C311 PolarHBondContact O-N 2.95Å; A269-L312 WeakPolarHBondContact O-CG 3.26Å
270C96.1Very high90.2Very high0 Ų047.1 Ų47.10%029%0.29CS..THydrogen-bonded Turntrans-80.50.5179.5-53.50000112.6G266 V272 N277 C279 C293 C311G266-C270 WeakPolarHBondContact O-CB 3.26Å; G266-C270 PolarHBondContact O-N 3.4Å; G266-C270 PolarHBondContact O-SG 2.9Å; C270-V272 VanDerWaalsContact C-N 3.29Å; C270-V272 HydrophobicContact CB-CG1 4.02Å; C270-V272 PolarHBondContact O-N 3.13Å; C270-N277 VanDerWaalsContact O-CB 3.3Å; C270-N277 WeakPolarHBondContact O-CB 3.1Å; C270-N277 PolarHBondContact O-ND2 3.24Å; C270-C279 HydrophobicContact CB-CB 4.01Å; C270-C279 VanDerWaalsContact SG-SG 3.69Å; C270-C293 WeakPolarHBondContact CA-SG 3.49Å; C270-C293 HydrophobicContact CB-CB 3.68Å; C270-C293 WeakPolarHBondContact CB-SG 3.29Å; C270-C293 WeakPolarHBondContact SG-CA 3.36Å; C270-C293 WeakPolarHBondContact SG-CB 3.44Å; C270-C293 CovalentContact SG-SG 2.03Å; C270-C293 PolarHBondContact SG-SG 2.92Å; C270-C311 WeakPolarHBondContact O-CB 3.01Å
271N94.4Very high91.3Very high31 Ų3147.4 Ų47.417%0.16629%0.289CS..THydrogen-bonded Turntrans48.749.9177.9-175.317.7000112.3N267 T268 A269 N273 S274 N277 W300 L312N267-N271 PolarHBondContact O-N 3.44Å; N267-N271 VanDerWaalsContact O-N 3.13Å; T268-N271 PolarHBondContact O-N 2.89Å; A269-N271 PolarHBondContact O-N 2.75Å; N271-N273 PolarHBondContact O-N 2.93Å; N271-S274 VanDerWaalsContact CG-OG 3.27Å; N271-S274 PolarHBondContact ND2-OG 3.35Å; N271-S274 WeakPolarHBondContact O-CB 3.4Å; N271-S274 PolarHBondContact O-N 2.67Å; N271-S274 PolarHBondContact OD1-OG 3.36Å; N271-N277 WeakPolarHBondContact O-CB 3.25Å; N271-N277 PolarHBondContact O-ND2 2.86Å; N271-W300 VanDerWaalsContact ND2-CH2 3.26Å; N271-W300 WeakPolarHBondContact ND2-CH2 3.34Å; N271-W300 VanDerWaalsContact ND2-CZ2 3.33Å; N271-W300 WeakPolarHBondContact ND2-CZ2 3.31Å; N271-W300 VanDerWaalsContact ND2-CZ3 3.34Å; N271-W300 WeakPolarHBondContact ND2-CZ3 3.3Å; N271-L312 HydrophobicContact CB-CD2 4.05Å
272V94.6Very high91.7Very high41 Ų4149.9 Ų49.925%0.24830%0.297CS..THydrogen-bonded Turntrans-66.7-16.8-173.5-60.10000113.6N267 C270 S274 C279N267-V272 HydrophobicContact CB-CG1 4.38Å; N267-V272 HydrophobicContact CB-CG2 3.64Å; N267-V272 PolarHBondContact O-N 3.12Å; C270-V272 VanDerWaalsContact C-N 3.29Å; C270-V272 HydrophobicContact CB-CG1 4.02Å; C270-V272 PolarHBondContact O-N 3.13Å; V272-S274 PolarHBondContact O-N 3.23Å; V272-C279 HydrophobicContact CG1-CB 3.83Å
273N92.2Very high91.7Very high162 Ų16252.7 Ų52.787%0.86631%0.31SS*.THydrogen-bonded Turntrans-66.8-19.8173.1-66.3-13.9000111.9N271N271-N273 PolarHBondContact O-N 2.93Å
274S87.8Confident91.3Very high24 Ų2449.4 Ų49.417%0.16830%0.297CS..SBendtrans-84.3134.6172.6-62.20000110.6N271 V272 G276 N277 W300N271-S274 VanDerWaalsContact CG-OG 3.27Å; N271-S274 PolarHBondContact ND2-OG 3.35Å; N271-S274 WeakPolarHBondContact O-CB 3.4Å; N271-S274 PolarHBondContact O-N 2.67Å; N271-S274 PolarHBondContact OD1-OG 3.36Å; V272-S274 PolarHBondContact O-N 3.23Å; S274-G276 PolarHBondContact O-N 3.03Å; S274-N277 PolarHBondContact O-N 3Å; S274-W300 WeakPolarHBondContact OG-CZ2 3.16Å
275S83.7Confident90.3Very high102 Ų10250.1 Ų50.171%0.71331%0.309SS*.THydrogen-bonded Turntrans-57.5126.4-17644.30000112.6N296S275-N296 PolarHBondContact O-ND2 3.36Å
276G88.3Confident89.2Confident58 Ų5852.7 Ų52.760%0.59832%0.318SS*.THydrogen-bonded Turntrans92.6-18.2177.100000115.4S274S274-G276 PolarHBondContact O-N 3.03Å
277N95.4Very high88.2Confident12 Ų1252.7 Ų52.76%0.06432%0.318CS..  trans-72.9138.7174.2-71-16.6000110.7C270 N271 S274 Q294 C295 N296C270-N277 VanDerWaalsContact O-CB 3.3Å; C270-N277 WeakPolarHBondContact O-CB 3.1Å; C270-N277 PolarHBondContact O-ND2 3.24Å; N271-N277 WeakPolarHBondContact O-CB 3.25Å; N271-N277 PolarHBondContact O-ND2 2.86Å; S274-N277 PolarHBondContact O-N 3Å; N277-Q294 WeakPolarHBondContact CA-O 3.45Å; N277-C295 WeakPolarHBondContact OD1-CA 3.44Å; N277-N296 PolarHBondContact OD1-N 3.26Å
278K95.4Very high87.3Confident117 Ų11752.3 Ų52.351%0.50932%0.316SS..EExtended strand (participates in β ladder)trans-135138-179.3-176.4177.6177.9-174.90111.4I280 Q294K278-I280 HydrophobicContact CG-CG1 4.49Å; K278-Q294 HydrophobicContact CB-CB 4.26Å; K278-Q294 PolarHBondContact N-O 2.68Å; K278-Q294 PolarHBondContact O-N 3.28Å
279C96.8Very high86.8Confident18 Ų1848.3 Ų48.312%0.12229%0.293CS..EExtended strand (participates in β ladder)trans-100.3138.3168.5-173.30000110.1C248 N267 C270 V272C248-C279 VanDerWaalsContact CA-SG 3.52Å; C248-C279 HydrophobicContact CB-CB 3.8Å; C248-C279 WeakPolarHBondContact CB-SG 3.42Å; C248-C279 WeakPolarHBondContact SG-CB 3.44Å; C248-C279 CovalentContact SG-SG 2.03Å; C248-C279 PolarHBondContact SG-SG 3.17Å; N267-C279 WeakPolarHBondContact OD1-CB 3.45Å; C270-C279 HydrophobicContact CB-CB 4.01Å; C270-C279 VanDerWaalsContact SG-SG 3.69Å; V272-C279 HydrophobicContact CG1-CB 3.83Å
280I94.3Very high86.5Confident48 Ų4850.9 Ų50.925%0.24631%0.31CS..EExtended strand (participates in β ladder)trans-121.5115.1174.3-57.7175.4000107.7C248 K278 L282 Y291 Q292 Q294C248-I280 PolarHBondContact SG-N 3.49Å; K278-I280 HydrophobicContact CG-CG1 4.49Å; I280-L282 HydrophobicContact CG2-CD2 3.93Å; I280-L282 HydrophobicContact CG2-CG 4.37Å; I280-Y291 CarbonylContact O-C 3.56Å; I280-Y291 VanDerWaalsContact O-CA 3.25Å; I280-Y291 WeakPolarHBondContact O-CA 3.01Å; I280-Q292 PolarHBondContact N-O 2.87Å; I280-Q292 PolarHBondContact O-N 3.45Å; I280-Q294 HydrophobicContact CD1-CG 4Å
281A91.9Very high86.2Confident40 Ų4051.8 Ų51.833%0.33131%0.314SS..EExtended strand (participates in β ladder)trans-78133.3173.800000109.2N246 A247 C248N246-A281 WeakPolarHBondContact OD1-CB 3.35Å; A247-A281 HydrophobicContact CB-CB 4.44Å; C248-A281 HydrophobicContact CB-CB 4.44Å; C248-A281 PolarHBondContact SG-N 3.45Å
282L89Confident86.2Confident72 Ų7255.2 Ų55.238%0.37733%0.329SS..EExtended strand (participates in β ladder)trans-125.1137.6-177.5-62173.1000108.7I280 A289 S290 Q292I280-L282 HydrophobicContact CG2-CD2 3.93Å; I280-L282 HydrophobicContact CG2-CG 4.37Å; L282-A289 WeakPolarHBondContact O-CA 3.36Å; L282-S290 PolarHBondContact N-O 3.24Å; L282-S290 PolarHBondContact O-N 2.03Å; L282-Q292 HydrophobicContact CD1-CB 3.95Å
283I82.2Confident86.2Confident77 Ų7754.2 Ų54.240%0.39532%0.323SS..EExtended strand (participates in β ladder)trans-122.4119.4170.6-58.1176.2000105.3D235 D288 A289D235-I283 HydrophobicContact CB-CD1 4.42Å; I283-D288 WeakPolarHBondContact CA-O 3.34Å; I283-A289 HydrophobicContact CG1-CB 4.48Å
284S75.6Confident86.3Confident37 Ų3751 Ų5126%0.25930%0.303SS..  trans-64.3169.3177.580.60000110.9E286 G287 D288S284-E286 VanDerWaalsContact CB-OE2 3.29Å; S284-E286 WeakPolarHBondContact CB-OE2 3.48Å; S284-E286 PolarHBondContact O-N 3.5Å; S284-E286 PolarHBondContact OG-N 2.93Å; S284-E286 PolarHBondContact OG-OE2 3.08Å; S284-G287 PolarHBondContact O-N 2.85Å; S284-G287 PolarHBondContact OG-N 3.38Å; S284-G287 VanDerWaalsContact OG-N 3.15Å; S284-D288 PolarHBondContact N-O 2.87Å; S284-D288 WeakPolarHBondContact OG-CB 2.98Å; S284-D288 PolarHBondContact OG-N 3.12Å
285A68.6Low86.5Confident57 Ų5751.1 Ų51.147%0.47130%0.304SS..THydrogen-bonded Turntrans-59.6-38.3175.100000110.4L191 R198 G287L191-A285 HydrophobicContact CD1-CB 3.48Å; L191-A285 VanDerWaalsContact CD1-CB 3.48Å; L191-A285 WeakPolarHBondContact CD1-O 3.3Å; L191-A285 HydrophobicContact CD2-CB 4.35Å; R198-A285 PolarHBondContact NH1-O 3.29Å; R198-A285 PolarHBondContact NH2-O 3.36Å; A285-G287 PolarHBondContact O-N 2.99Å
286E69.5Low86.8Confident69 Ų6948.2 Ų48.232%0.32228%0.28SS..THydrogen-bonded Turntrans-69.8-15.2176.7-55.569.3-143.900112.4L191 E194 R198 S284L191-E286 HydrophobicContact CD1-CG 4.39Å; E194-E286 WeakPolarHBondContact CG-O 3.28Å; R198-E286 PolarHBondContact NH2-O 3.31Å; S284-E286 VanDerWaalsContact CB-OE2 3.29Å; S284-E286 WeakPolarHBondContact CB-OE2 3.48Å; S284-E286 PolarHBondContact O-N 3.5Å; S284-E286 PolarHBondContact OG-N 2.93Å; S284-E286 PolarHBondContact OG-OE2 3.08Å
287G70.7Confident86.6Confident0 Ų053.1 Ų53.10%029%0.288CS..  trans98.37176.500000113.8S284 A285 A289S284-G287 PolarHBondContact O-N 2.85Å; S284-G287 PolarHBondContact OG-N 3.38Å; S284-G287 VanDerWaalsContact OG-N 3.15Å; A285-G287 PolarHBondContact O-N 2.99Å; G287-A289 PolarHBondContact O-N 3.41Å; G287-A289 VanDerWaalsContact O-N 3.13Å
288D76.8Confident85.9Confident43 Ų4356.8 Ų56.823%0.2331%0.311CS..  trans-68114.3176.4-62.6-37.4000109P258 I283 S284P258-D288 WeakPolarHBondContact CD-OD1 3.16Å; I283-D288 WeakPolarHBondContact CA-O 3.34Å; S284-D288 PolarHBondContact N-O 2.87Å; S284-D288 WeakPolarHBondContact OG-CB 2.98Å; S284-D288 PolarHBondContact OG-N 3.12Å
289A84.2Confident85.3Confident7 Ų756.1 Ų56.16%0.05831%0.309CS..EExtended strand (participates in β ladder)trans-86.4122.6179.200000110.1I245 I252 L282 I283 G287I245-A289 HydrophobicContact CB-CB 4.34Å; I245-A289 HydrophobicContact CG2-CB 3.4Å; I252-A289 HydrophobicContact CD1-CB 3.41Å; I252-A289 VanDerWaalsContact CD1-CB 3.41Å; I252-A289 WeakPolarHBondContact CD1-O 3.41Å; L282-A289 WeakPolarHBondContact O-CA 3.36Å; I283-A289 HydrophobicContact CG1-CB 4.48Å; G287-A289 PolarHBondContact O-N 3.41Å; G287-A289 VanDerWaalsContact O-N 3.13Å
290S88.4Confident84.9Confident54 Ų5457.9 Ų57.938%0.37831%0.314SS..EExtended strand (participates in β ladder)trans-143.9178.3-178.964.20000110.1A247 L282A247-S290 VanDerWaalsContact CB-C 3.47Å; A247-S290 WeakPolarHBondContact CB-O 3.3Å; L282-S290 PolarHBondContact N-O 3.24Å; L282-S290 PolarHBondContact O-N 2.03Å
291Y91Very high84.6Confident18 Ų1857.4 Ų57.47%0.07131%0.311CS..EExtended strand (participates in β ladder)trans-139.6156.3176.564.2-95000111.4A247 T262 I264 A269 I280 P309A247-Y291 HydrophobicContact CB-CD1 4.16Å; T262-Y291 HydrophobicContact CG2-CD1 4.24Å; T262-Y291 HydrophobicContact CG2-CE1 4.17Å; I264-Y291 WeakPolarHBondContact O-CE1 3.28Å; A269-Y291 HydrophobicContact CB-CE2 3.85Å; A269-Y291 VanDerWaalsContact CB-OH 3.3Å; A269-Y291 WeakPolarHBondContact CB-OH 3.48Å; I280-Y291 CarbonylContact O-C 3.56Å; I280-Y291 VanDerWaalsContact O-CA 3.25Å; I280-Y291 WeakPolarHBondContact O-CA 3.01Å; Y291-P309 HydrophobicContact CE2-CB 4.1Å; Y291-P309 VanDerWaalsContact CE2-O 3.27Å; Y291-P309 WeakPolarHBondContact CE2-O 3.38Å; Y291-P309 PolarHBondContact OH-O 3.01Å
292Q93.5Very high84.5Confident103 Ų10358.7 Ų58.748%0.48132%0.316SS..EExtended strand (participates in β ladder)trans-122139.5172.3-176.7178.11.800109.8I280 L282I280-Q292 PolarHBondContact N-O 2.87Å; I280-Q292 PolarHBondContact O-N 3.45Å; L282-Q292 HydrophobicContact CD1-CB 3.95Å
293C94.4Very high84.2Confident20 Ų2057 Ų5714%0.13531%0.307CS..EExtended strand (participates in β ladder)trans-98.4135.2173.8-56.10000111C270 P309 C311C270-C293 WeakPolarHBondContact CA-SG 3.49Å; C270-C293 HydrophobicContact CB-CB 3.68Å; C270-C293 WeakPolarHBondContact CB-SG 3.29Å; C270-C293 WeakPolarHBondContact SG-CA 3.36Å; C270-C293 WeakPolarHBondContact SG-CB 3.44Å; C270-C293 CovalentContact SG-SG 2.03Å; C270-C293 PolarHBondContact SG-SG 2.92Å; C293-P309 VanDerWaalsContact SG-C 3.59Å; C293-P309 PolarHBondContact SG-O 3.23Å; C293-C311 VanDerWaalsContact CB-SG 3.54Å
294Q95Very high84.2Confident94 Ų9458.5 Ų58.544%0.43932%0.315SS..EExtended strand (participates in β ladder)trans-107.6107.5164-66-177-34.700107.2N277 K278 I280N277-Q294 WeakPolarHBondContact CA-O 3.45Å; K278-Q294 HydrophobicContact CB-CB 4.26Å; K278-Q294 PolarHBondContact N-O 2.68Å; K278-Q294 PolarHBondContact O-N 3.28Å; I280-Q294 HydrophobicContact CD1-CG 4Å
295C92.5Very high84.4Confident28 Ų2865.1 Ų65.119%0.18934%0.342CS..  trans-84.7145.1-179.4-49.20000110.5N277 E297 W300 N310 C311N277-C295 WeakPolarHBondContact OD1-CA 3.44Å; C295-E297 PolarHBondContact O-N 2.88Å; C295-E297 VanDerWaalsContact O-N 3.08Å; C295-W300 WeakPolarHBondContact CB-O 3.44Å; C295-N310 PolarHBondContact SG-O 3.48Å; C295-C311 WeakPolarHBondContact CA-SG 3.25Å; C295-C311 HydrophobicContact CB-CB 3.77Å; C295-C311 WeakPolarHBondContact CB-SG 3.25Å; C295-C311 PolarHBondContact N-SG 2.89Å; C295-C311 VanDerWaalsContact SG-CA 3.5Å; C295-C311 WeakPolarHBondContact SG-CB 3.4Å; C295-C311 CovalentContact SG-SG 2.03Å; C295-C311 PolarHBondContact SG-SG 3.44Å
296N90.5Very high85Confident40 Ų4064.9 Ų64.921%0.21433%0.332CS..  trans-74.196.4167.3-178.50.2000108.9S275 N277 T298 H299 W300S275-N296 PolarHBondContact O-ND2 3.36Å; N277-N296 PolarHBondContact OD1-N 3.26Å; N296-T298 PolarHBondContact ND2-OG1 3.38Å; N296-T298 PolarHBondContact O-N 3.39Å; N296-T298 PolarHBondContact OD1-N 3.26Å; N296-T298 PolarHBondContact OD1-OG1 2.85Å; N296-H299 PolarHBondContact O-N 3.44Å; N296-W300 CarbonylContact C-O 3.52Å; N296-W300 PolarHBondContact O-N 3.24Å; N296-W300 VanDerWaalsContact O-O 3.07Å
297E83.7Confident85.6Confident162 Ų16265.6 Ų65.676%0.75734%0.343SS*.THydrogen-bonded Turntrans-59.2-4.6-176.6-60-175.6174.400114.3C295 L315C295-E297 PolarHBondContact O-N 2.88Å; C295-E297 VanDerWaalsContact O-N 3.08Å; E297-L315 WeakPolarHBondContact O-CD2 3.42Å
298T80.7Confident86.1Confident89 Ų8968 Ų6855%0.54635%0.352SS..THydrogen-bonded Turntrans-80-27.9171.5600000113.6N296N296-T298 PolarHBondContact ND2-OG1 3.38Å; N296-T298 PolarHBondContact O-N 3.39Å; N296-T298 PolarHBondContact OD1-N 3.26Å; N296-T298 PolarHBondContact OD1-OG1 2.85Å
299H81.8Confident86.7Confident103 Ų10369.2 Ų69.248%0.47736%0.363SS..THydrogen-bonded Turntrans-137.7-19.1-172.4-65.388.3000114.2N296 K314 L315N296-H299 PolarHBondContact O-N 3.44Å; H299-K314 CarbonylContact O-C 3.38Å; H299-K314 WeakPolarHBondContact O-CA 3.34Å; H299-K314 WeakPolarHBondContact O-CG 3.48Å; H299-L315 PolarHBondContact O-N 3.19Å
300W88.7Confident87.1Confident55 Ų5569.1 Ų69.121%0.20836%0.361CS..EExtended strand (participates in β ladder)trans-137.5135.7-171.9-6399.1000111.1N271 S274 C295 N296 C311 Q313 K314N271-W300 VanDerWaalsContact ND2-CH2 3.26Å; N271-W300 WeakPolarHBondContact ND2-CH2 3.34Å; N271-W300 VanDerWaalsContact ND2-CZ2 3.33Å; N271-W300 WeakPolarHBondContact ND2-CZ2 3.31Å; N271-W300 VanDerWaalsContact ND2-CZ3 3.34Å; N271-W300 WeakPolarHBondContact ND2-CZ3 3.3Å; S274-W300 WeakPolarHBondContact OG-CZ2 3.16Å; C295-W300 WeakPolarHBondContact CB-O 3.44Å; N296-W300 CarbonylContact C-O 3.52Å; N296-W300 PolarHBondContact O-N 3.24Å; N296-W300 VanDerWaalsContact O-O 3.07Å; W300-C311 HydrophobicContact CB-CB 4.4Å; W300-C311 VanDerWaalsContact CE3-O 3.23Å; W300-Q313 CarbonylContact C-O 3.51Å; W300-Q313 WeakPolarHBondContact CA-O 3.12Å; W300-K314 HydrophobicContact CE3-CB 4.4Å; W300-K314 HydrophobicContact CZ3-CB 4.2Å
301I87.6Confident87.3Confident38 Ų3866.5 Ų66.520%0.19534%0.343CS..EExtended strand (participates in β ladder)trans-131.6163.1175.653.3168.5000110.1N303 C311 Q313 L315I301-N303 PolarHBondContact O-N 2.05Å; I301-C311 CarbonylContact O-C 3.46Å; I301-Q313 HydrophobicContact CD1-CG 3.89Å; I301-Q313 HydrophobicContact CG1-CB 3.92Å; I301-Q313 HydrophobicContact CG1-CG 3.73Å; I301-Q313 PolarHBondContact N-O 3.08Å; I301-Q313 WeakPolarHBondContact O-CB 3.21Å; I301-Q313 PolarHBondContact O-N 2.92Å; I301-Q313 VanDerWaalsContact O-N 3.15Å; I301-Q313 VanDerWaalsContact O-O 3.07Å; I301-L315 HydrophobicContact CD1-CD1 4.07Å; I301-L315 HydrophobicContact CG1-CD1 4.47Å; I301-L315 HydrophobicContact CG2-CB 4.32Å; I301-L315 HydrophobicContact CG2-CD1 3.83Å
302P90.2Very high87.3Confident66 Ų6668.9 Ų68.943%0.42936%0.357SS..  trans-65.1129.2174.4-20.833.4000111.8I304 N310 Q313P302-I304 PolarHBondContact O-N 3.48Å; P302-N310 VanDerWaalsContact CA-O 3.3Å; P302-N310 WeakPolarHBondContact CA-O 3.17Å; P302-N310 WeakPolarHBondContact CB-O 3.48Å; P302-Q313 PolarHBondContact O-OE1 3.34Å
303N83.5Confident87Confident36 Ų3666.8 Ų66.819%0.19335%0.347CS..  trans-75.3111.9167.4-173.7-18.2000109.2I301 E305 L306 N310 Q313I301-N303 PolarHBondContact O-N 2.05Å; N303-E305 VanDerWaalsContact C-N 3.27Å; N303-E305 PolarHBondContact O-N 3.38Å; N303-E305 WeakPolarHBondContact OD1-CB 3.48Å; N303-E305 PolarHBondContact OD1-N 3.03Å; N303-L306 HydrophobicContact CB-CD1 4.14Å; N303-L306 HydrophobicContact CB-CG 4.41Å; N303-L306 PolarHBondContact O-N 3.48Å; N303-N310 VanDerWaalsContact CB-OD1 3.29Å; N303-N310 WeakPolarHBondContact CB-OD1 3.45Å; N303-N310 PolarHBondContact N-OD1 3.4Å; N303-N310 PolarHBondContact O-ND2 2.99Å; N303-Q313 HydrophobicContact CB-CB 3.84Å
304I81.7Confident86.4Confident109 Ų10970.6 Ų70.656%0.55936%0.361SS*.THydrogen-bonded Turntrans-73-19.4-175.3-54.1176.9000112.2L21 P302 L306L21-I304 HydrophobicContact CB-CG2 4.27Å; L21-I304 HydrophobicContact CD1-CG1 4.19Å; L21-I304 HydrophobicContact CD1-CG2 4.12Å; P302-I304 PolarHBondContact O-N 3.48Å; I304-L306 VanDerWaalsContact C-N 3.25Å; I304-L306 PolarHBondContact O-N 2.78Å
305E79.7Confident85.6Confident176 Ų17668.9 Ų68.982%0.82235%0.354SS*.THydrogen-bonded Turntrans-71.2-22.3178.3-58.7-176.2160.900112.4N303N303-E305 VanDerWaalsContact C-N 3.27Å; N303-E305 PolarHBondContact O-N 3.38Å; N303-E305 WeakPolarHBondContact OD1-CB 3.48Å; N303-E305 PolarHBondContact OD1-N 3.03Å
306L81.5Confident84.9Confident53 Ų5369.5 Ų69.528%0.27736%0.357SS..SBendtrans-88.6134.8-179.4-63.1174000111.2N303 I304 Y308 L312N303-L306 HydrophobicContact CB-CD1 4.14Å; N303-L306 HydrophobicContact CB-CG 4.41Å; N303-L306 PolarHBondContact O-N 3.48Å; I304-L306 VanDerWaalsContact C-N 3.25Å; I304-L306 PolarHBondContact O-N 2.78Å; L306-Y308 HydrophobicContact CB-CD1 4.47Å; L306-Y308 HydrophobicContact CB-CE1 4.14Å; L306-Y308 HydrophobicContact CB-CE2 4.39Å; L306-Y308 HydrophobicContact CD1-CE2 4.22Å; L306-Y308 HydrophobicContact CD2-CE1 4.37Å; L306-Y308 PolarHBondContact O-N 3.39Å; L306-L312 HydrophobicContact CD1-CB 4.48Å; L306-L312 HydrophobicContact CD1-CD1 3.68Å
307P80.8Confident84.2Confident84 Ų8471.4 Ų71.455%0.54536%0.364SS..SBendtrans-79.318.1-173.433.9-37.1000114.3L263L263-P307 HydrophobicContact CD1-CG 3.84Å
308Y81.7Confident84.2Confident49 Ų4964.8 Ų64.819%0.19234%0.335CS..SBendtrans-141.1154.5-17753.7-97.7000111.5L263 I264 A269 L306 N310L263-Y308 HydrophobicContact CB-CD1 4.22Å; L263-Y308 HydrophobicContact CD1-CD1 3.88Å; I264-Y308 HydrophobicContact CG2-CD1 4.42Å; I264-Y308 HydrophobicContact CG2-CD2 3.81Å; I264-Y308 HydrophobicContact CG2-CE1 4.27Å; I264-Y308 HydrophobicContact CG2-CE2 3.65Å; I264-Y308 HydrophobicContact CG2-CG 4.2Å; A269-Y308 HydrophobicContact CB-CD2 3.99Å; A269-Y308 HydrophobicContact CB-CE2 3.89Å; L306-Y308 HydrophobicContact CB-CD1 4.47Å; L306-Y308 HydrophobicContact CB-CE1 4.14Å; L306-Y308 HydrophobicContact CB-CE2 4.39Å; L306-Y308 HydrophobicContact CD1-CE2 4.22Å; L306-Y308 HydrophobicContact CD2-CE1 4.37Å; L306-Y308 PolarHBondContact O-N 3.39Å; Y308-N310 HydrophobicContact CD2-CB 4.09Å; Y308-N310 HydrophobicContact CE2-CB 3.98Å; Y308-N310 PolarHBondContact O-N 3.15Å; Y308-N310 PolarHBondContact O-ND2 3.07Å
309P89.1Confident84Confident69 Ų6964 Ų6445%0.44833%0.328SS..  trans-57131.3175.8-22.133.2000110.8Y291 C293Y291-P309 HydrophobicContact CE2-CB 4.1Å; Y291-P309 VanDerWaalsContact CE2-O 3.27Å; Y291-P309 WeakPolarHBondContact CE2-O 3.38Å; Y291-P309 PolarHBondContact OH-O 3.01Å; C293-P309 VanDerWaalsContact SG-C 3.59Å; C293-P309 PolarHBondContact SG-O 3.23Å
310N92.3Very high83.8Confident5 Ų563.8 Ų63.83%0.02734%0.338CS..  trans-156.7169.4-176.271.784.5000111.6A269 C295 P302 N303 Y308 L312A269-N310 HydrophobicContact CB-CB 4.41Å; A269-N310 CarbonylContact O-C 3.41Å; A269-N310 WeakPolarHBondContact O-CA 3.46Å; A269-N310 VanDerWaalsContact O-CB 3.25Å; A269-N310 WeakPolarHBondContact O-CB 3.45Å; C295-N310 PolarHBondContact SG-O 3.48Å; P302-N310 VanDerWaalsContact CA-O 3.3Å; P302-N310 WeakPolarHBondContact CA-O 3.17Å; P302-N310 WeakPolarHBondContact CB-O 3.48Å; N303-N310 VanDerWaalsContact CB-OD1 3.29Å; N303-N310 WeakPolarHBondContact CB-OD1 3.45Å; N303-N310 PolarHBondContact N-OD1 3.4Å; N303-N310 PolarHBondContact O-ND2 2.99Å; Y308-N310 HydrophobicContact CD2-CB 4.09Å; Y308-N310 HydrophobicContact CE2-CB 3.98Å; Y308-N310 PolarHBondContact O-N 3.15Å; Y308-N310 PolarHBondContact O-ND2 3.07Å; N310-L312 HydrophobicContact CB-CD1 4.12Å; N310-L312 HydrophobicContact CB-CG 4.22Å; N310-L312 PolarHBondContact OD1-N 2.91Å; N310-L312 VanDerWaalsContact OD1-N 3.16Å
311C94.2Very high83.6Confident0 Ų063.6 Ų63.60%034%0.342CS..  trans-132.345.1170.7-58.60000110.6A269 C270 C293 C295 W300 I301A269-C311 PolarHBondContact O-N 2.95Å; C270-C311 WeakPolarHBondContact O-CB 3.01Å; C293-C311 VanDerWaalsContact CB-SG 3.54Å; C295-C311 WeakPolarHBondContact CA-SG 3.25Å; C295-C311 HydrophobicContact CB-CB 3.77Å; C295-C311 WeakPolarHBondContact CB-SG 3.25Å; C295-C311 PolarHBondContact N-SG 2.89Å; C295-C311 VanDerWaalsContact SG-CA 3.5Å; C295-C311 WeakPolarHBondContact SG-CB 3.4Å; C295-C311 CovalentContact SG-SG 2.03Å; C295-C311 PolarHBondContact SG-SG 3.44Å; W300-C311 HydrophobicContact CB-CB 4.4Å; W300-C311 VanDerWaalsContact CE3-O 3.23Å; I301-C311 CarbonylContact O-C 3.46Å
312L90.9Very high83.5Confident68 Ų6867.1 Ų67.136%0.35637%0.366SS..  trans-96.3-8.6-170.8-68168.8000113.7A269 N271 L306 N310A269-L312 WeakPolarHBondContact O-CG 3.26Å; N271-L312 HydrophobicContact CB-CD2 4.05Å; L306-L312 HydrophobicContact CD1-CB 4.48Å; L306-L312 HydrophobicContact CD1-CD1 3.68Å; N310-L312 HydrophobicContact CB-CD1 4.12Å; N310-L312 HydrophobicContact CB-CG 4.22Å; N310-L312 PolarHBondContact OD1-N 2.91Å; N310-L312 VanDerWaalsContact OD1-N 3.16Å
313Q87.1Confident83.4Confident59 Ų5965.2 Ų65.228%0.27635%0.353SS..EExtended strand (participates in β ladder)trans-91.4125174.2178.3173.2-2.200109.2W300 I301 P302 N303W300-Q313 CarbonylContact C-O 3.51Å; W300-Q313 WeakPolarHBondContact CA-O 3.12Å; I301-Q313 HydrophobicContact CD1-CG 3.89Å; I301-Q313 HydrophobicContact CG1-CB 3.92Å; I301-Q313 HydrophobicContact CG1-CG 3.73Å; I301-Q313 PolarHBondContact N-O 3.08Å; I301-Q313 WeakPolarHBondContact O-CB 3.21Å; I301-Q313 PolarHBondContact O-N 2.92Å; I301-Q313 VanDerWaalsContact O-N 3.15Å; I301-Q313 VanDerWaalsContact O-O 3.07Å; P302-Q313 PolarHBondContact O-OE1 3.34Å; N303-Q313 HydrophobicContact CB-CB 3.84Å
314K82.3Confident83.7Confident99 Ų9967.3 Ų67.343%0.4337%0.368SS..EExtended strand (participates in β ladder)trans-75.2128.3175.6-168.3178.3-179-175.20108.7H299 W300 T316H299-K314 CarbonylContact O-C 3.38Å; H299-K314 WeakPolarHBondContact O-CA 3.34Å; H299-K314 WeakPolarHBondContact O-CG 3.48Å; W300-K314 HydrophobicContact CE3-CB 4.4Å; W300-K314 HydrophobicContact CZ3-CB 4.2Å; K314-T316 PolarHBondContact O-N 3.48Å
315L77.4Confident83.9Confident58 Ų5865.1 Ų65.130%0.30436%0.355SS..PPolyproline II helixtrans-67.4122.5170.9-172.572.4000108.5E297 H299 I301 D319E297-L315 WeakPolarHBondContact O-CD2 3.42Å; H299-L315 PolarHBondContact O-N 3.19Å; I301-L315 HydrophobicContact CD1-CD1 4.07Å; I301-L315 HydrophobicContact CG1-CD1 4.47Å; I301-L315 HydrophobicContact CG2-CB 4.32Å; I301-L315 HydrophobicContact CG2-CD1 3.83Å; L315-D319 HydrophobicContact CD1-CB 3.6Å
316T77.2Confident84.4Confident41 Ų4157.8 Ų57.825%0.25233%0.327SS..  trans-116.3161.1174.267.10000108.8K314 C318 D319K314-T316 PolarHBondContact O-N 3.48Å; T316-C318 PolarHBondContact O-N 2.83Å; T316-C318 VanDerWaalsContact O-N 3.07Å; T316-C318 WeakPolarHBondContact OG1-CB 3.17Å; T316-C318 PolarHBondContact OG1-N 3.31Å; T316-D319 PolarHBondContact N-OD2 3Å; T316-D319 WeakPolarHBondContact O-CB 3.49Å; T316-D319 PolarHBondContact O-N 3.35Å; T316-D319 PolarHBondContact OG1-OD2 2.96Å; T316-D319 VanDerWaalsContact OG1-OD2 3.11Å
317K77Confident84.8Confident80 Ų8061 Ų6135%0.34834%0.339SS..G310 helixtrans-61.3-19.5173.4-67.5-157.3-175169.90113D319 S320 V321 D335 A337K317-D319 PolarHBondContact O-N 3.23Å; K317-S320 PolarHBondContact O-N 3.4Å; K317-S320 VanDerWaalsContact O-N 3.1Å; K317-S320 PolarHBondContact O-OG 3.25Å; K317-V321 WeakPolarHBondContact O-CG2 3.48Å; K317-V321 PolarHBondContact O-N 3.38Å; K317-D335 WeakPolarHBondContact CD-O 3.17Å; K317-D335 WeakPolarHBondContact CE-O 3.42Å; K317-D335 WeakPolarHBondContact CE-OD2 3.45Å; K317-D335 PolarHBondContact NZ-O 2.94Å; K317-D335 IonicContact NZ-OD1 3.14Å; K317-D335 IonicContact NZ-OD2 2.97Å; K317-D335 PolarHBondContact NZ-OD2 2.88Å; K317-A337 HydrophobicContact CB-CB 3.55Å
318C82.3Confident85.1Confident23 Ų2358.7 Ų58.716%0.15532%0.324CS..G310 helixtrans-63.7-25.5172.3-77.50000113.8T316 S320 V321 C328 S330T316-C318 PolarHBondContact O-N 2.83Å; T316-C318 VanDerWaalsContact O-N 3.07Å; T316-C318 WeakPolarHBondContact OG1-CB 3.17Å; T316-C318 PolarHBondContact OG1-N 3.31Å; C318-S320 PolarHBondContact O-N 2.97Å; C318-V321 PolarHBondContact O-N 3.07Å; C318-C328 WeakPolarHBondContact CA-SG 3.44Å; C318-C328 HydrophobicContact CB-CB 3.59Å; C318-C328 WeakPolarHBondContact CB-SG 3.39Å; C318-C328 WeakPolarHBondContact SG-CB 3.35Å; C318-C328 CovalentContact SG-SG 2.03Å; C318-C328 PolarHBondContact SG-SG 3.3Å; C318-S330 VanDerWaalsContact SG-CB 3.54Å
319D77.3Confident85.2Confident74 Ų7459.5 Ų59.540%0.39633%0.334SS..G310 helixtrans-70.2-19.1176-58.5-61.1000111.9L315 T316 K317L315-D319 HydrophobicContact CD1-CB 3.6Å; T316-D319 PolarHBondContact N-OD2 3Å; T316-D319 WeakPolarHBondContact O-CB 3.49Å; T316-D319 PolarHBondContact O-N 3.35Å; T316-D319 PolarHBondContact OG1-OD2 2.96Å; T316-D319 VanDerWaalsContact OG1-OD2 3.11Å; K317-D319 PolarHBondContact O-N 3.23Å
320S77.6Confident84.7Confident98 Ų9858 Ų5869%0.68532%0.324SS*.G310 helixtrans-97.2-4.917365.20000114.5K317 C318K317-S320 PolarHBondContact O-N 3.4Å; K317-S320 VanDerWaalsContact O-N 3.1Å; K317-S320 PolarHBondContact O-OG 3.25Å; C318-S320 PolarHBondContact O-N 2.97Å
321V83.6Confident83.6Confident50 Ų5062 Ų6230%0.30335%0.346SS..  trans-114.7122.9-175.1172.50000110.4K317 C318 A337K317-V321 WeakPolarHBondContact O-CG2 3.48Å; K317-V321 PolarHBondContact O-N 3.38Å; C318-V321 PolarHBondContact O-N 3.07Å; V321-A337 HydrophobicContact CB-CB 4.4Å; V321-A337 HydrophobicContact CG2-CB 3.87Å
322V86.5Confident82.1Confident113 Ų11367 Ų6769%0.68537%0.373SS*.  trans-95121.7177.9-178.30000110A349V322-A349 VanDerWaalsContact O-CB 3.31Å; V322-A349 WeakPolarHBondContact O-CB 3.19Å
323C87.7Confident80.8Confident25 Ų2572.1 Ų72.117%0.16940%0.395CS..  trans-108.8106.6171.6-52.40000109.6C328 C339 A349C323-C328 VanDerWaalsContact SG-CB 3.59Å; C323-C339 WeakPolarHBondContact CA-SG 3.08Å; C323-C339 HydrophobicContact CB-CB 3.83Å; C323-C339 WeakPolarHBondContact CB-SG 3.35Å; C323-C339 WeakPolarHBondContact SG-CA 3.25Å; C323-C339 WeakPolarHBondContact SG-CB 3.38Å; C323-C339 CovalentContact SG-SG 2.04Å; C323-C339 PolarHBondContact SG-SG 2.83Å; C323-A349 CarbonylContact C-O 3.53Å; C323-A349 WeakPolarHBondContact CA-O 3.35Å
324V89.6Confident79.2Confident81 Ų8174.2 Ų74.249%0.49141%0.407SS..THydrogen-bonded Turntrans-67.3-47.6-172.2-174.40000111.8A349 E351V324-A349 PolarHBondContact N-O 3.08Å; V324-E351 HydrophobicContact CG2-CB 4.29Å
325H86.9Confident78.2Confident63 Ų6374.1 Ų74.129%0.29241%0.411SS..THydrogen-bonded Turntrans-127.557.1178-52.499.1000111.3N342 Y345 C350H325-N342 VanDerWaalsContact O-CB 3.27Å; H325-N342 WeakPolarHBondContact O-CB 3.48Å; H325-N342 PolarHBondContact O-N 3.06Å; H325-N342 PolarHBondContact O-ND2 3.22Å; H325-Y345 HydrophobicContact CB-CD1 3.72Å; H325-Y345 HydrophobicContact CB-CD2 3.78Å; H325-Y345 HydrophobicContact CB-CE1 3.85Å; H325-Y345 HydrophobicContact CB-CE2 3.91Å; H325-Y345 HydrophobicContact CB-CG 3.64Å; H325-Y345 AromaticContact CD2-CE1 3.73Å; H325-Y345 AromaticContact CD2-CZ 3.48Å; H325-Y345 VanDerWaalsContact CD2-CZ 3.48Å; H325-Y345 PolarHBondContact CD2-OH 2.98Å; H325-Y345 VanDerWaalsContact CD2-OH 3.26Å; H325-Y345 AromaticContact CE1-CE1 3.41Å; H325-Y345 VanDerWaalsContact CE1-CE1 3.41Å; H325-Y345 WeakPolarHBondContact CE1-CE1 3.24Å; H325-Y345 AromaticContact CE1-CZ 3.9Å; H325-Y345 AromaticContact CG-CD1 3.68Å; H325-Y345 AromaticContact CG-CE1 3.34Å; H325-Y345 AromaticContact CG-CZ 3.48Å; H325-Y345 VanDerWaalsContact CG-CZ 3.48Å; H325-Y345 AromaticContact ND1-CD1 3.47Å; H325-Y345 WeakPolarHBondContact ND1-CD1 3.45Å; H325-Y345 AromaticContact ND1-CE1 3.14Å; H325-Y345 WeakPolarHBondContact ND1-CE1 3.02Å; H325-Y345 AromaticContact ND1-CZ 3.75Å; H325-Y345 AromaticContact NE2-CE1 3.73Å; H325-Y345 AromaticContact NE2-CZ 3.71Å; H325-Y345 PolarHBondContact NE2-OH 2.96Å; H325-C350 HydrophobicContact CB-CB 4.47Å; H325-C350 WeakPolarHBondContact CB-O 3.39Å; H325-C350 PolarHBondContact N-O 3.48Å; H325-C350 PolarHBondContact ND1-O 2.99Å
326G88.7Confident78Confident22 Ų2278 Ų7823%0.22743%0.427CS..EExtended strand (participates in β ladder)trans-172.1-169.3179.500000111.5V340G326-V340 WeakPolarHBondContact CA-O 2.95Å
327F90.3Very high78.3Confident121 Ų12177.4 Ų77.453%0.53143%0.426SS..EExtended strand (participates in β ladder)trans-123.1145.2172.558.4-86.1000110V329 V340F327-V329 HydrophobicContact CD2-CG1 3.73Å; F327-V329 HydrophobicContact CE2-CG1 3.61Å; F327-V340 HydrophobicContact CD1-CB 4.35Å; F327-V340 HydrophobicContact CD2-CB 4.15Å; F327-V340 HydrophobicContact CD2-CG2 4.43Å; F327-V340 HydrophobicContact CE1-CB 3.94Å; F327-V340 HydrophobicContact CE1-CG1 3.81Å; F327-V340 HydrophobicContact CE2-CB 3.72Å; F327-V340 HydrophobicContact CE2-CG1 4.12Å; F327-V340 HydrophobicContact CE2-CG2 3.88Å; F327-V340 HydrophobicContact CG-CB 4.45Å; F327-V340 HydrophobicContact CZ-CB 3.61Å; F327-V340 HydrophobicContact CZ-CG1 3.51Å; F327-V340 HydrophobicContact CZ-CG2 4.15Å; F327-V340 PolarHBondContact N-O 3.37Å; F327-V340 PolarHBondContact O-N 3.49Å
328C86.7Confident78.8Confident35 Ų3581 Ų8124%0.23644%0.442CS..EExtended strand (participates in β ladder)trans-83.5136.6177.1-1740000110.4C318 C323C318-C328 WeakPolarHBondContact CA-SG 3.44Å; C318-C328 HydrophobicContact CB-CB 3.59Å; C318-C328 WeakPolarHBondContact CB-SG 3.39Å; C318-C328 WeakPolarHBondContact SG-CB 3.35Å; C318-C328 CovalentContact SG-SG 2.03Å; C318-C328 PolarHBondContact SG-SG 3.3Å; C323-C328 VanDerWaalsContact SG-CB 3.59Å
329V84.7Confident79.2Confident65 Ų6580.2 Ų80.239%0.39444%0.437SS..EExtended strand (participates in β ladder)trans-118.8134.2168-60.20000108.9F327 A337 K338 V340F327-V329 HydrophobicContact CD2-CG1 3.73Å; F327-V329 HydrophobicContact CE2-CG1 3.61Å; V329-A337 CarbonylContact O-C 3.56Å; V329-A337 WeakPolarHBondContact O-CA 3.44Å; V329-K338 WeakPolarHBondContact CG2-O 3.16Å; V329-K338 PolarHBondContact N-O 3.06Å; V329-K338 PolarHBondContact O-N 3.2Å; V329-V340 HydrophobicContact CB-CG2 4.42Å; V329-V340 HydrophobicContact CG1-CG2 3.82Å; V329-V340 HydrophobicContact CG2-CG2 3.69Å
330S79.4Confident79.8Confident37 Ų3779.4 Ų79.426%0.25944%0.435SS..EExtended strand (participates in β ladder)trans-126.8138.81771780000109.3C318 Q336C318-S330 VanDerWaalsContact SG-CB 3.54Å; S330-Q336 WeakPolarHBondContact CA-O 3.42Å
331N68.9Low80.4Confident90 Ų9076.6 Ų76.648%0.48141%0.414SS..EExtended strand (participates in β ladder)trans-93.5119.5175.5-148.5-5.3000109.3H333 I334 D335 Q336N331-H333 PolarHBondContact O-N 3.08Å; N331-I334 HydrophobicContact CB-CB 4.37Å; N331-I334 PolarHBondContact O-N 2.95Å; N331-D335 PolarHBondContact O-N 3.34Å; N331-Q336 PolarHBondContact N-O 2.89Å
332N62.7Low80.6Confident106 Ų10677.6 Ų77.657%0.56742%0.418SS*.THydrogen-bonded Turntrans-57.9-21.3-175.3-79.4-26.7000114.1
333H62.2Low80.5Confident175 Ų17577.3 Ų77.381%0.8142%0.419SS*.THydrogen-bonded Turntrans-99.7-35.6-177.6-66.4-68.6000114.5N331N331-H333 PolarHBondContact O-N 3.08Å
334I54.5Low80.4Confident103 Ų10376.6 Ų76.653%0.52842%0.415SS..THydrogen-bonded Turntrans-99.7-4.8-168.9-59.6173.5000111.2N331 Q336N331-I334 HydrophobicContact CB-CB 4.37Å; N331-I334 PolarHBondContact O-N 2.95Å; I334-Q336 HydrophobicContact CG2-CB 4.49Å; I334-Q336 HydrophobicContact CG2-CG 4.14Å; I334-Q336 PolarHBondContact O-N 2.98Å; I334-Q336 VanDerWaalsContact O-N 3.15Å
335D61.6Low80.3Confident97 Ų9774.4 Ų74.452%0.51940%0.398SS..THydrogen-bonded Turntrans58.838.4168.3-128.731.1000110.6K317 N331K317-D335 WeakPolarHBondContact CD-O 3.17Å; K317-D335 WeakPolarHBondContact CE-O 3.42Å; K317-D335 WeakPolarHBondContact CE-OD2 3.45Å; K317-D335 PolarHBondContact NZ-O 2.94Å; K317-D335 IonicContact NZ-OD1 3.14Å; K317-D335 IonicContact NZ-OD2 2.97Å; K317-D335 PolarHBondContact NZ-OD2 2.88Å; N331-D335 PolarHBondContact O-N 3.34Å
336Q73.4Confident80.4Confident139 Ų13973.9 Ų73.965%0.6540%0.402SS*.EExtended strand (participates in β ladder)trans-126.1125.1177.2-74.9-179.5-5.400108S330 N331 I334S330-Q336 WeakPolarHBondContact CA-O 3.42Å; N331-Q336 PolarHBondContact N-O 2.89Å; I334-Q336 HydrophobicContact CG2-CB 4.49Å; I334-Q336 HydrophobicContact CG2-CG 4.14Å; I334-Q336 PolarHBondContact O-N 2.98Å; I334-Q336 VanDerWaalsContact O-N 3.15Å
337A83.4Confident80.4Confident28 Ų2874.1 Ų74.123%0.23140%0.404CS..EExtended strand (participates in β ladder)trans-105.1138.2170.200000109.1K317 V321 V329K317-A337 HydrophobicContact CB-CB 3.55Å; V321-A337 HydrophobicContact CB-CB 4.4Å; V321-A337 HydrophobicContact CG2-CB 3.87Å; V329-A337 CarbonylContact O-C 3.56Å; V329-A337 WeakPolarHBondContact O-CA 3.44Å
338K86.8Confident80.2Confident155 Ų15576.3 Ų76.367%0.67442%0.42SS*.EExtended strand (participates in β ladder)trans-140.5141.5178.6179.7178.8175.7-178.40109.7V329V329-K338 WeakPolarHBondContact CG2-O 3.16Å; V329-K338 PolarHBondContact N-O 3.06Å; V329-K338 PolarHBondContact O-N 3.2Å
339C90.4Very high80.3Confident8 Ų875.8 Ų75.85%0.05442%0.419CS..EExtended strand (participates in β ladder)trans-77.5131.3170.4-63.90000111.4C323 C350C323-C339 WeakPolarHBondContact CA-SG 3.08Å; C323-C339 HydrophobicContact CB-CB 3.83Å; C323-C339 WeakPolarHBondContact CB-SG 3.35Å; C323-C339 WeakPolarHBondContact SG-CA 3.25Å; C323-C339 WeakPolarHBondContact SG-CB 3.38Å; C323-C339 CovalentContact SG-SG 2.04Å; C323-C339 PolarHBondContact SG-SG 2.83Å; C339-C350 WeakPolarHBondContact CB-SG 3.38Å
340V90.2Very high80.7Confident56 Ų5672.7 Ų72.734%0.33940%0.4SS..EExtended strand (participates in β ladder)trans-96.4108.9164.6-176.60000107.1G326 F327 V329G326-V340 WeakPolarHBondContact CA-O 2.95Å; F327-V340 HydrophobicContact CD1-CB 4.35Å; F327-V340 HydrophobicContact CD2-CB 4.15Å; F327-V340 HydrophobicContact CD2-CG2 4.43Å; F327-V340 HydrophobicContact CE1-CB 3.94Å; F327-V340 HydrophobicContact CE1-CG1 3.81Å; F327-V340 HydrophobicContact CE2-CB 3.72Å; F327-V340 HydrophobicContact CE2-CG1 4.12Å; F327-V340 HydrophobicContact CE2-CG2 3.88Å; F327-V340 HydrophobicContact CG-CB 4.45Å; F327-V340 HydrophobicContact CZ-CB 3.61Å; F327-V340 HydrophobicContact CZ-CG1 3.51Å; F327-V340 HydrophobicContact CZ-CG2 4.15Å; F327-V340 PolarHBondContact N-O 3.37Å; F327-V340 PolarHBondContact O-N 3.49Å; V329-V340 HydrophobicContact CB-CG2 4.42Å; V329-V340 HydrophobicContact CG1-CG2 3.82Å; V329-V340 HydrophobicContact CG2-CG2 3.69Å
341C89.9Confident81Confident39 Ų3975.4 Ų75.426%0.26441%0.409SS..EExtended strand (participates in β ladder)trans-77.6144.6-174.2-55.80000112.5Y345 C350C341-Y345 VanDerWaalsContact CB-O 3.29Å; C341-Y345 WeakPolarHBondContact CB-O 3.11Å; C341-C350 WeakPolarHBondContact CA-SG 3.48Å; C341-C350 HydrophobicContact CB-CB 3.66Å; C341-C350 WeakPolarHBondContact CB-SG 3.44Å; C341-C350 PolarHBondContact N-SG 3.39Å; C341-C350 WeakPolarHBondContact SG-CA 3.41Å; C341-C350 WeakPolarHBondContact SG-CB 3.18Å; C341-C350 CovalentContact SG-SG 2.04Å; C341-C350 PolarHBondContact SG-SG 3.09Å
342N88.3Confident81.8Confident72 Ų7276.4 Ų76.439%0.38541%0.41SS..PPolyproline II helixtrans-61.2153.1169.6-68.8-21.7000110.2H325 G344 Y345H325-N342 VanDerWaalsContact O-CB 3.27Å; H325-N342 WeakPolarHBondContact O-CB 3.48Å; H325-N342 PolarHBondContact O-N 3.06Å; H325-N342 PolarHBondContact O-ND2 3.22Å; N342-G344 PolarHBondContact O-N 3.31Å; N342-Y345 HydrophobicContact CB-CD2 4.19Å; N342-Y345 PolarHBondContact O-N 3.27Å
343P85.4Confident82.8Confident107 Ų10774.2 Ų74.270%0.69539%0.394SS*.THydrogen-bonded Turntrans-51.7126.4177.6-27.434.9000112.3V356P343-V356 HydrophobicContact CB-CG2 4.03Å
344G84.6Confident84Confident9 Ų967.9 Ų67.99%0.09337%0.368CS..THydrogen-bonded Turntrans87.22.5-179.300000115.5N342 W353 V354 G355N342-G344 PolarHBondContact O-N 3.31Å; G344-W353 VanDerWaalsContact O-CE3 3.23Å; G344-V354 WeakPolarHBondContact O-CG2 3.06Å; G344-V354 PolarHBondContact O-N 3.2Å; G344-G355 VanDerWaalsContact CA-C 3.42Å; G344-G355 WeakPolarHBondContact CA-O 3.29Å; G344-G355 PolarHBondContact O-N 3.45Å
345Y87.8Confident85.4Confident35 Ų3563.2 Ų63.214%0.13735%0.345CS..EExtended strand (participates in β ladder)trans-110.6150.6169.4-71-88.8000111.6H325 C341 N342 E352 W353 K392H325-Y345 HydrophobicContact CB-CD1 3.72Å; H325-Y345 HydrophobicContact CB-CD2 3.78Å; H325-Y345 HydrophobicContact CB-CE1 3.85Å; H325-Y345 HydrophobicContact CB-CE2 3.91Å; H325-Y345 HydrophobicContact CB-CG 3.64Å; H325-Y345 AromaticContact CD2-CE1 3.73Å; H325-Y345 AromaticContact CD2-CZ 3.48Å; H325-Y345 VanDerWaalsContact CD2-CZ 3.48Å; H325-Y345 PolarHBondContact CD2-OH 2.98Å; H325-Y345 VanDerWaalsContact CD2-OH 3.26Å; H325-Y345 AromaticContact CE1-CE1 3.41Å; H325-Y345 VanDerWaalsContact CE1-CE1 3.41Å; H325-Y345 WeakPolarHBondContact CE1-CE1 3.24Å; H325-Y345 AromaticContact CE1-CZ 3.9Å; H325-Y345 AromaticContact CG-CD1 3.68Å; H325-Y345 AromaticContact CG-CE1 3.34Å; H325-Y345 AromaticContact CG-CZ 3.48Å; H325-Y345 VanDerWaalsContact CG-CZ 3.48Å; H325-Y345 AromaticContact ND1-CD1 3.47Å; H325-Y345 WeakPolarHBondContact ND1-CD1 3.45Å; H325-Y345 AromaticContact ND1-CE1 3.14Å; H325-Y345 WeakPolarHBondContact ND1-CE1 3.02Å; H325-Y345 AromaticContact ND1-CZ 3.75Å; H325-Y345 AromaticContact NE2-CE1 3.73Å; H325-Y345 AromaticContact NE2-CZ 3.71Å; H325-Y345 PolarHBondContact NE2-OH 2.96Å; C341-Y345 VanDerWaalsContact CB-O 3.29Å; C341-Y345 WeakPolarHBondContact CB-O 3.11Å; N342-Y345 HydrophobicContact CB-CD2 4.19Å; N342-Y345 PolarHBondContact O-N 3.27Å; Y345-E352 CarbonylContact C-O 3.43Å; Y345-E352 VanDerWaalsContact CA-O 3.27Å; Y345-E352 WeakPolarHBondContact CA-O 3.48Å; Y345-W353 HydrophobicContact CD1-CB 4.34Å; Y345-W353 HydrophobicContact CD1-CE3 4.12Å; Y345-W353 AromaticContact CD2-CE3 3.76Å; Y345-W353 HydrophobicContact CD2-CE3 3.76Å; Y345-W353 AromaticContact CD2-CZ3 3.9Å; Y345-W353 HydrophobicContact CD2-CZ3 3.9Å; Y345-W353 HydrophobicContact CE1-CB 4.13Å; Y345-W353 AromaticContact CE1-CE3 3.84Å; Y345-W353 HydrophobicContact CE1-CE3 3.84Å; Y345-W353 AromaticContact CE2-CE3 3.45Å; Y345-W353 HydrophobicContact CE2-CE3 3.45Å; Y345-W353 VanDerWaalsContact CE2-CE3 3.45Å; Y345-W353 AromaticContact CE2-CZ3 3.53Å; Y345-W353 HydrophobicContact CE2-CZ3 3.53Å; Y345-W353 HydrophobicContact CG-CE3 4.12Å; Y345-W353 AromaticContact CZ-CE3 3.53Å; Y345-K392 PolarHBondContact OH-NZ 3Å
346S89.1Confident86.5Confident53 Ų5360.4 Ų60.437%0.37133%0.331SS..EExtended strand (participates in β ladder)trans-146.8-177.4179.5-166.80000109.8C350 E351 E352S346-C350 CarbonylContact O-C 3.51Å; S346-C350 VanDerWaalsContact O-CA 3.25Å; S346-C350 WeakPolarHBondContact O-CA 3.46Å; S346-E351 PolarHBondContact O-N 3.1Å; S346-E352 PolarHBondContact N-O 2.99Å; S346-E352 PolarHBondContact O-N 3.46Å
347G88Confident87.1Confident26 Ų2656.1 Ų56.127%0.26831%0.309SS..SBendtrans99.7168.4-173.600000112A349 C350G347-A349 PolarHBondContact O-N 2.76Å; G347-C350 PolarHBondContact O-N 3.05Å
348L86.4Confident87.4Confident167 Ų16756.4 Ų56.487%0.87431%0.309SS*.SBendtrans-66.7-29.7-179.7-72.6169000111.8
349A89.5Confident87.5Confident25 Ų2558.4 Ų58.421%0.20732%0.318CS..SBendtrans-112.610.4179.400000113.3V322 C323 V324 G347 E351V322-A349 VanDerWaalsContact O-CB 3.31Å; V322-A349 WeakPolarHBondContact O-CB 3.19Å; C323-A349 CarbonylContact C-O 3.53Å; C323-A349 WeakPolarHBondContact CA-O 3.35Å; V324-A349 PolarHBondContact N-O 3.08Å; G347-A349 PolarHBondContact O-N 2.76Å; A349-E351 WeakPolarHBondContact CA-OE2 3.48Å; A349-E351 WeakPolarHBondContact CB-OE2 3.01Å; A349-E351 PolarHBondContact N-OE2 2.85Å; A349-E351 PolarHBondContact O-N 2.93Å
350C91.7Very high87.6Confident0 Ų061.8 Ų61.80%033%0.329CS..SBendtrans5933.8-175.7-48.70000113.9H325 C339 C341 S346 G347H325-C350 HydrophobicContact CB-CB 4.47Å; H325-C350 WeakPolarHBondContact CB-O 3.39Å; H325-C350 PolarHBondContact N-O 3.48Å; H325-C350 PolarHBondContact ND1-O 2.99Å; C339-C350 WeakPolarHBondContact CB-SG 3.38Å; C341-C350 WeakPolarHBondContact CA-SG 3.48Å; C341-C350 HydrophobicContact CB-CB 3.66Å; C341-C350 WeakPolarHBondContact CB-SG 3.44Å; C341-C350 PolarHBondContact N-SG 3.39Å; C341-C350 WeakPolarHBondContact SG-CA 3.41Å; C341-C350 WeakPolarHBondContact SG-CB 3.18Å; C341-C350 CovalentContact SG-SG 2.04Å; C341-C350 PolarHBondContact SG-SG 3.09Å; S346-C350 CarbonylContact O-C 3.51Å; S346-C350 VanDerWaalsContact O-CA 3.25Å; S346-C350 WeakPolarHBondContact O-CA 3.46Å; G347-C350 PolarHBondContact O-N 3.05Å
351E86.8Confident87.7Confident93 Ų9361 Ų6144%0.43533%0.327SS..  trans-85.9-25.3-177.769-82.4-145.600112.5V324 S346 A349V324-E351 HydrophobicContact CG2-CB 4.29Å; S346-E351 PolarHBondContact O-N 3.1Å; A349-E351 WeakPolarHBondContact CA-OE2 3.48Å; A349-E351 WeakPolarHBondContact CB-OE2 3.01Å; A349-E351 PolarHBondContact N-OE2 2.85Å; A349-E351 PolarHBondContact O-N 2.93Å
352E85.7Confident88Confident111 Ų11167 Ų6752%0.51935%0.351SS..EExtended strand (participates in β ladder)trans-92.3122.4-174.7-57.4-174.6164.200111.1Y345 S346 V354Y345-E352 CarbonylContact C-O 3.43Å; Y345-E352 VanDerWaalsContact CA-O 3.27Å; Y345-E352 WeakPolarHBondContact CA-O 3.48Å; S346-E352 PolarHBondContact N-O 2.99Å; S346-E352 PolarHBondContact O-N 3.46Å; E352-V354 PolarHBondContact O-N 2.81Å
353W83.7Confident88.1Confident61 Ų6168 Ų6823%0.23135%0.349CS..EExtended strand (participates in β ladder)trans-81.7114.9171.2172.9-96.1000110.4G344 Y345 S384 K392 L393 L395G344-W353 VanDerWaalsContact O-CE3 3.23Å; Y345-W353 HydrophobicContact CD1-CB 4.34Å; Y345-W353 HydrophobicContact CD1-CE3 4.12Å; Y345-W353 AromaticContact CD2-CE3 3.76Å; Y345-W353 HydrophobicContact CD2-CE3 3.76Å; Y345-W353 AromaticContact CD2-CZ3 3.9Å; Y345-W353 HydrophobicContact CD2-CZ3 3.9Å; Y345-W353 HydrophobicContact CE1-CB 4.13Å; Y345-W353 AromaticContact CE1-CE3 3.84Å; Y345-W353 HydrophobicContact CE1-CE3 3.84Å; Y345-W353 AromaticContact CE2-CE3 3.45Å; Y345-W353 HydrophobicContact CE2-CE3 3.45Å; Y345-W353 VanDerWaalsContact CE2-CE3 3.45Å; Y345-W353 AromaticContact CE2-CZ3 3.53Å; Y345-W353 HydrophobicContact CE2-CZ3 3.53Å; Y345-W353 HydrophobicContact CG-CE3 4.12Å; Y345-W353 AromaticContact CZ-CE3 3.53Å; W353-S384 WeakPolarHBondContact CZ2-OG 3.44Å; W353-K392 HydrophobicContact CD2-CB 4.4Å; W353-K392 HydrophobicContact CD2-CD 3.88Å; W353-K392 HydrophobicContact CE3-CD 4.15Å; W353-K392 HydrophobicContact CG-CD 4.32Å; W353-K392 HydrophobicContact CH2-CD 4.36Å; W353-K392 HydrophobicContact CZ2-CB 3.74Å; W353-K392 HydrophobicContact CZ2-CD 4.12Å; W353-K392 HydrophobicContact CZ3-CD 4.39Å; W353-L393 PolarHBondContact NE1-O 3.19Å; W353-L395 WeakPolarHBondContact O-CD1 3.38Å; W353-L395 WeakPolarHBondContact O-CG 3.44Å
354V85.9Confident88.5Confident42 Ų4267.2 Ų67.226%0.25534%0.339SS..  trans-105.3-15.2175.7-64.70000113.3G344 E352 W357 C394 L395G344-V354 WeakPolarHBondContact O-CG2 3.06Å; G344-V354 PolarHBondContact O-N 3.2Å; E352-V354 PolarHBondContact O-N 2.81Å; V354-W357 PolarHBondContact O-NE1 3.12Å; V354-C394 CarbonylContact O-C 3.53Å; V354-C394 WeakPolarHBondContact O-CA 3.01Å; V354-L395 PolarHBondContact O-N 2.84Å
355G84.3Confident88.8Confident4 Ų473.8 Ų73.84%0.04137%0.368CS..  trans82.4157.5-177.800000114.4G344G344-G355 VanDerWaalsContact CA-C 3.42Å; G344-G355 WeakPolarHBondContact CA-O 3.29Å; G344-G355 PolarHBondContact O-N 3.45Å
356V85.6Confident89Confident38 Ų3873.9 Ų73.923%0.2337%0.373CS..  trans-88.2112.3-179.5-174.90000108.6P343 L383 S384P343-V356 HydrophobicContact CB-CG2 4.03Å; V356-L383 HydrophobicContact CB-CB 4.46Å; V356-L383 HydrophobicContact CG1-CB 4.24Å; V356-L383 HydrophobicContact CG1-CD1 4.29Å; V356-L383 WeakPolarHBondContact O-CA 3.16Å; V356-L383 WeakPolarHBondContact O-CB 3.35Å; V356-L383 PolarHBondContact O-N 2.04Å; V356-S384 PolarHBondContact N-OG 2.87Å; V356-S384 PolarHBondContact O-N 3.27Å
357W86.1Confident88.9Confident50 Ų5079.2 Ų79.219%0.18939%0.385CS..BIsolated β-bridgetrans-96.3149.9177.9-69.199.4000111.4V354 R380 C382 C394 L395 G396 P398V354-W357 PolarHBondContact O-NE1 3.12Å; W357-R380 HydrophobicContact CD2-CG 4.27Å; W357-R380 HydrophobicContact CE3-CB 4.37Å; W357-R380 VanDerWaalsContact CE3-CD 3.46Å; W357-R380 HydrophobicContact CE3-CG 3.54Å; W357-R380 HydrophobicContact CZ3-CG 3.9Å; W357-C382 HydrophobicContact CE3-CB 4.14Å; W357-C382 HydrophobicContact CH2-CB 4.22Å; W357-C382 HydrophobicContact CZ3-CB 3.83Å; W357-C394 HydrophobicContact CD2-CB 4.15Å; W357-C394 VanDerWaalsContact CE2-CB 3.42Å; W357-C394 HydrophobicContact CH2-CB 3.81Å; W357-C394 HydrophobicContact CZ2-CB 3.24Å; W357-C394 HydrophobicContact CZ3-CB 4.44Å; W357-L395 WeakPolarHBondContact CZ2-O 3.37Å; W357-L395 PolarHBondContact NE1-O 2.78Å; W357-G396 WeakPolarHBondContact CZ2-O 3.3Å; W357-P398 HydrophobicContact CH2-CB 4.48Å; W357-P398 HydrophobicContact CZ3-CB 4.23Å
358S88.3Confident88.9Confident33 Ų3381.6 Ų81.623%0.23140%0.396CS..PPolyproline II helixtrans-63.7167.2162.3740000110.2D381S358-D381 PolarHBondContact N-O 3.04Å; S358-D381 PolarHBondContact OG-N 2.9Å
359K89.8Confident88.8Confident197 Ų19776.6 Ų76.686%0.85738%0.378SS*.PPolyproline II helixtrans-57.4144.4162.2-67.7-175.2178.4-178.30108.7
360W91.7Very high88.6Confident79 Ų7977 Ų7730%0.29938%0.38SS..PPolyproline II helixtrans-58.5142.5167.3-74.9108.6000109.4R378 R380 D400W360-R378 HydrophobicContact CD2-CG 4.23Å; W360-R378 HydrophobicContact CE3-CB 4.3Å; W360-R378 HydrophobicContact CE3-CG 3.62Å; W360-R378 HydrophobicContact CZ3-CG 3.98Å; W360-R380 HydrophobicContact CD2-CB 4.03Å; W360-R380 HydrophobicContact CD2-CG 4.05Å; W360-R380 VanDerWaalsContact CE2-CD 3.47Å; W360-R380 HydrophobicContact CE3-CB 3.7Å; W360-R380 HydrophobicContact CE3-CG 3.69Å; W360-R380 HydrophobicContact CH2-CG 3.68Å; W360-R380 VanDerWaalsContact CH2-NE 3.27Å; W360-R380 HydrophobicContact CZ2-CG 4.04Å; W360-R380 VanDerWaalsContact CZ2-CZ 3.4Å; W360-R380 HydrophobicContact CZ3-CB 4.01Å; W360-R380 HydrophobicContact CZ3-CG 3.49Å; W360-R380 VanDerWaalsContact CZ3-CG 3.49Å; W360-D400 HydrophobicContact CH2-CB 3.72Å; W360-D400 HydrophobicContact CZ2-CB 4.36Å; W360-D400 HydrophobicContact CZ3-CB 3.95Å
361S93.9Very high88.2Confident41 Ų4177.9 Ų77.929%0.28739%0.389SS..PPolyproline II helixtrans-60.6161.2163.371.90000109.9R378 Q379S361-R378 WeakPolarHBondContact OG-CA 3.39Å; S361-Q379 PolarHBondContact N-O 3.13Å; S361-Q379 PolarHBondContact OG-N 3.13Å; S361-Q379 PolarHBondContact OG-O 2.93Å
362E94.4Very high88Confident165 Ų16579 Ų7977%0.77140%0.397SS*.PPolyproline II helixtrans-57.7155.5162.9-64.4-57137.800110D364E362-D364 PolarHBondContact O-N 3.26Å
363W92.3Very high87.9Confident91 Ų9180.7 Ų80.735%0.34541%0.407SS..PPolyproline II helixtrans-68.3125.6174.9-74.9110.2000110.2S376 R378 D400 I402W363-S376 WeakPolarHBondContact CB-OG 3.13Å; W363-R378 HydrophobicContact CD2-CB 4.06Å; W363-R378 HydrophobicContact CD2-CG 4.1Å; W363-R378 HydrophobicContact CE3-CB 3.72Å; W363-R378 HydrophobicContact CE3-CG 3.73Å; W363-R378 HydrophobicContact CH2-CG 3.66Å; W363-R378 VanDerWaalsContact CH2-NE 3.33Å; W363-R378 VanDerWaalsContact CZ2-CD 3.42Å; W363-R378 HydrophobicContact CZ2-CG 4.04Å; W363-R378 HydrophobicContact CZ3-CB 3.99Å; W363-R378 HydrophobicContact CZ3-CG 3.5Å; W363-R378 VanDerWaalsContact CZ3-CG 3.5Å; W363-D400 HydrophobicContact CH2-CB 4.4Å; W363-I402 HydrophobicContact CD2-CG2 3.91Å; W363-I402 HydrophobicContact CE3-CB 4.41Å; W363-I402 HydrophobicContact CE3-CG2 3.57Å; W363-I402 HydrophobicContact CH2-CB 3.63Å; W363-I402 HydrophobicContact CH2-CG2 3.71Å; W363-I402 HydrophobicContact CZ2-CB 4.05Å; W363-I402 HydrophobicContact CZ2-CD1 4.34Å; W363-I402 HydrophobicContact CZ2-CG2 4.01Å; W363-I402 HydrophobicContact CZ3-CB 3.83Å; W363-I402 HydrophobicContact CZ3-CG2 3.47Å; W363-I402 VanDerWaalsContact CZ3-CG2 3.47Å
364D91.9Very high88.2Confident91 Ų9179 Ų7949%0.48740%0.401SS..PPolyproline II helixtrans-65.1164.9175.7-75.5-23.7000111.6E362 C366 S376 L377E362-D364 PolarHBondContact O-N 3.26Å; D364-C366 PolarHBondContact O-N 3.39Å; D364-S376 PolarHBondContact N-OG 2.69Å; D364-S376 VanDerWaalsContact O-CB 3.3Å; D364-S376 WeakPolarHBondContact O-CB 3.47Å; D364-S376 PolarHBondContact O-OG 3.4Å; D364-L377 WeakPolarHBondContact CB-O 3.2Å; D364-L377 PolarHBondContact N-O 2.86Å
365Q91.8Very high88.5Confident148 Ų14882.5 Ų82.569%0.69241%0.41SS*.PPolyproline II helixtrans-61.7139.7174.1-65.6-179.3-8.200111.3R367Q365-R367 PolarHBondContact O-N 2.95Å
366C91.4Very high88.9Confident36 Ų3682.6 Ų82.624%0.24341%0.41CS..PPolyproline II helixtrans-57.3123.6177.3-63.30000111.9D364 P368 Y375 C404D364-C366 PolarHBondContact O-N 3.39Å; C366-P368 CarbonylContact O-C 3.51Å; C366-Y375 WeakPolarHBondContact CA-O 3.19Å; C366-C404 HydrophobicContact CB-CB 3.72Å; C366-C404 WeakPolarHBondContact CB-SG 3.05Å; C366-C404 WeakPolarHBondContact SG-CB 3.32Å; C366-C404 CovalentContact SG-SG 2.03Å; C366-C404 PolarHBondContact SG-SG 2.81Å
367R88.3Confident89.2Confident165 Ų16582.9 Ų82.962%0.62341%0.41SS*.BIsolated β-bridgetrans-117.4141.9176-62.8-64.1-178.3170.1-3.4111Q365 R374 Y375Q365-R367 PolarHBondContact O-N 2.95Å; R367-R374 WeakPolarHBondContact O-CA 3.49Å; R367-Y375 PolarHBondContact N-O 3.24Å; R367-Y375 PolarHBondContact O-N 2.97Å
368P86.7Confident89.6Confident76 Ų7683.4 Ų83.449%0.49441%0.412SS..SBendcis-56.7160-17.223.1-31.2000112.2C366 C370 R374C366-P368 CarbonylContact O-C 3.51Å; P368-C370 WeakPolarHBondContact CB-O 3.02Å; P368-C370 WeakPolarHBondContact CG-O 3.4Å; P368-C370 PolarHBondContact O-N 3.45Å; P368-C370 VanDerWaalsContact O-N 3.14Å; P368-R374 WeakPolarHBondContact O-CG 3.28Å; P368-R374 PolarHBondContact O-NE 3.11Å
369A84.8Confident89.8Confident62 Ų6287 Ų8751%0.51243%0.426SS..SBendtrans-62.1-22.5-177.500000112.5R374A369-R374 PolarHBondContact O-NE 3.22Å; A369-R374 PolarHBondContact O-NH2 3.2Å
370C84.9Confident90Very high35 Ų3579.8 Ų79.824%0.23639%0.393CS..SBendtrans-137.2166.117568.40000109.8P368 H407 C409P368-C370 WeakPolarHBondContact CB-O 3.02Å; P368-C370 WeakPolarHBondContact CG-O 3.4Å; P368-C370 PolarHBondContact O-N 3.45Å; P368-C370 VanDerWaalsContact O-N 3.14Å; C370-H407 CarbonylContact C-O 3.37Å; C370-H407 WeakPolarHBondContact CA-O 3.45Å; C370-C409 HydrophobicContact CB-CB 3.85Å; C370-C409 WeakPolarHBondContact CB-SG 3.07Å; C370-C409 WeakPolarHBondContact SG-CA 3.42Å; C370-C409 WeakPolarHBondContact SG-CB 3.22Å; C370-C409 CovalentContact SG-SG 2.04Å; C370-C409 PolarHBondContact SG-SG 2.97Å
371G82.9Confident89.8Confident18 Ų1880.7 Ų80.719%0.18640%0.403CS..BIsolated β-bridgetrans120.9171.3-177.500000112.2R374 E406 H407 C409G371-R374 WeakPolarHBondContact O-CD 3.26Å; G371-R374 WeakPolarHBondContact O-CG 3.44Å; G371-E406 WeakPolarHBondContact O-CA 3.01Å; G371-H407 PolarHBondContact N-O 3.22Å; G371-H407 PolarHBondContact O-N 3.07Å; G371-H407 VanDerWaalsContact O-N 3.1Å; G371-C409 PolarHBondContact N-SG 3.1Å; G371-C409 VanDerWaalsContact N-SG 3.38Å
372N82.6Confident89.4Confident115 Ų11579.9 Ų79.962%0.61540%0.398SS*.SBendtrans-85.5-23.9179.6-59.3-2.4000112
373M84.7Confident88.8Confident148 Ų14874.9 Ų74.973%0.72938%0.376SS*.SBendtrans-115.9100.5179.7-67.4169.8-174.300108.3
374R89.8Confident87.9Confident26 Ų2670.8 Ų70.810%0.09836%0.361CS..  trans-133.1142.3-176.3-61.7172.165.3-147.38.7108.8R367 P368 A369 G371 C404 S405R367-R374 WeakPolarHBondContact O-CA 3.49Å; P368-R374 WeakPolarHBondContact O-CG 3.28Å; P368-R374 PolarHBondContact O-NE 3.11Å; A369-R374 PolarHBondContact O-NE 3.22Å; A369-R374 PolarHBondContact O-NH2 3.2Å; G371-R374 WeakPolarHBondContact O-CD 3.26Å; G371-R374 WeakPolarHBondContact O-CG 3.44Å; R374-C404 HydrophobicContact CB-CB 3.88Å; R374-C404 PolarHBondContact O-N 3.45Å; R374-S405 PolarHBondContact NH1-O 3.14Å
375Y91.4Very high86.5Confident115 Ų11573 Ų7345%0.45137%0.37SS..EExtended strand (participates in β ladder)trans-133.5145.3-179.9-65.1-90.2000110.7C366 R367 I402 K403C366-Y375 WeakPolarHBondContact CA-O 3.19Å; R367-Y375 PolarHBondContact N-O 3.24Å; R367-Y375 PolarHBondContact O-N 2.97Å; Y375-I402 VanDerWaalsContact CA-O 3.3Å; Y375-I402 WeakPolarHBondContact CA-O 3.1Å; Y375-K403 HydrophobicContact CD1-CB 4.34Å; Y375-K403 HydrophobicContact CE1-CB 4.03Å; Y375-K403 HydrophobicContact CE1-CG 4.37Å
376S93.5Very high85Confident6 Ų673.9 Ų73.94%0.04237%0.372CS..EExtended strand (participates in β ladder)trans-106.1146.1164.51700000108.4W363 D364 Y401 I402 C404W363-S376 WeakPolarHBondContact CB-OG 3.13Å; D364-S376 PolarHBondContact N-OG 2.69Å; D364-S376 VanDerWaalsContact O-CB 3.3Å; D364-S376 WeakPolarHBondContact O-CB 3.47Å; D364-S376 PolarHBondContact O-OG 3.4Å; S376-Y401 WeakPolarHBondContact O-CA 2.98Å; S376-I402 PolarHBondContact N-O 3.14Å; S376-I402 PolarHBondContact O-N 2.84Å; S376-C404 PolarHBondContact N-SG 2.82Å
377L91.2Very high83.4Confident44 Ų4478.3 Ų78.323%0.2339%0.392CS..EExtended strand (participates in β ladder)trans-115.5144.9-177.6-179149.7000109D364 Q379 I399 D400 Y401D364-L377 WeakPolarHBondContact CB-O 3.2Å; D364-L377 PolarHBondContact N-O 2.86Å; L377-Q379 HydrophobicContact CD2-CB 4.47Å; L377-I399 HydrophobicContact CD1-CG2 3.44Å; L377-I399 VanDerWaalsContact CD1-CG2 3.44Å; L377-I399 HydrophobicContact CD2-CG2 4.13Å; L377-I399 HydrophobicContact CG-CG2 3.63Å; L377-D400 WeakPolarHBondContact CA-O 3.43Å; L377-Y401 HydrophobicContact CD1-CD1 4.41Å; L377-Y401 HydrophobicContact CD1-CE1 3.72Å; L377-Y401 HydrophobicContact CG-CE1 4.45Å
378R95.7Very high81.8Confident60 Ų6073.2 Ų73.223%0.22639%0.391CS..EExtended strand (participates in β ladder)trans-132.8153.7162.665.1178.5176-174.4-4109.6W360 S361 W363 I399 D400W360-R378 HydrophobicContact CD2-CG 4.23Å; W360-R378 HydrophobicContact CE3-CB 4.3Å; W360-R378 HydrophobicContact CE3-CG 3.62Å; W360-R378 HydrophobicContact CZ3-CG 3.98Å; S361-R378 WeakPolarHBondContact OG-CA 3.39Å; W363-R378 HydrophobicContact CD2-CB 4.06Å; W363-R378 HydrophobicContact CD2-CG 4.1Å; W363-R378 HydrophobicContact CE3-CB 3.72Å; W363-R378 HydrophobicContact CE3-CG 3.73Å; W363-R378 HydrophobicContact CH2-CG 3.66Å; W363-R378 VanDerWaalsContact CH2-NE 3.33Å; W363-R378 VanDerWaalsContact CZ2-CD 3.42Å; W363-R378 HydrophobicContact CZ2-CG 4.04Å; W363-R378 HydrophobicContact CZ3-CB 3.99Å; W363-R378 HydrophobicContact CZ3-CG 3.5Å; W363-R378 VanDerWaalsContact CZ3-CG 3.5Å; R378-I399 WeakPolarHBondContact O-CA 3.25Å; R378-D400 HydrophobicContact CG-CB 3.95Å; R378-D400 IonicContact CZ-OD2 3.38Å; R378-D400 PolarHBondContact N-O 3.11Å; R378-D400 IonicContact NE-OD2 3.17Å; R378-D400 PolarHBondContact NE-OD2 2.94Å; R378-D400 IonicContact NH2-OD2 2.73Å; R378-D400 PolarHBondContact NH2-OD2 3.2Å; R378-D400 PolarHBondContact O-N 3.44Å
379Q92.3Very high80.2Confident110 Ų11074.8 Ų74.851%0.51440%0.395SS..EExtended strand (participates in β ladder)trans-129.1157.3-177.962.1178.2-12.300112.3S361 L377 P398 I399S361-Q379 PolarHBondContact N-O 3.13Å; S361-Q379 PolarHBondContact OG-N 3.13Å; S361-Q379 PolarHBondContact OG-O 2.93Å; L377-Q379 HydrophobicContact CD2-CB 4.47Å; Q379-P398 CarbonylContact C-O 3.55Å; Q379-P398 VanDerWaalsContact CA-O 3.3Å; Q379-P398 WeakPolarHBondContact CA-O 3.06Å; Q379-I399 HydrophobicContact CB-CG1 4.49Å
380R92.9Very high78.8Confident45 Ų4581.8 Ų81.817%0.1741%0.414CS..  trans-146.9155.6173.162.4176.6176.7173.53.3110.4W357 W360 S397 P398W357-R380 HydrophobicContact CD2-CG 4.27Å; W357-R380 HydrophobicContact CE3-CB 4.37Å; W357-R380 VanDerWaalsContact CE3-CD 3.46Å; W357-R380 HydrophobicContact CE3-CG 3.54Å; W357-R380 HydrophobicContact CZ3-CG 3.9Å; W360-R380 HydrophobicContact CD2-CB 4.03Å; W360-R380 HydrophobicContact CD2-CG 4.05Å; W360-R380 VanDerWaalsContact CE2-CD 3.47Å; W360-R380 HydrophobicContact CE3-CB 3.7Å; W360-R380 HydrophobicContact CE3-CG 3.69Å; W360-R380 HydrophobicContact CH2-CG 3.68Å; W360-R380 VanDerWaalsContact CH2-NE 3.27Å; W360-R380 HydrophobicContact CZ2-CG 4.04Å; W360-R380 VanDerWaalsContact CZ2-CZ 3.4Å; W360-R380 HydrophobicContact CZ3-CB 4.01Å; W360-R380 HydrophobicContact CZ3-CG 3.49Å; W360-R380 VanDerWaalsContact CZ3-CG 3.49Å; R380-S397 PolarHBondContact NE-O 3.04Å; R380-S397 PolarHBondContact NH2-O 2.95Å; R380-P398 PolarHBondContact N-O 3.49Å
381D88.2Confident77.4Confident97 Ų9785.1 Ų85.152%0.51944%0.438SS..  trans-103.8142.2178.2-68.5-32.1000112S358 L383S358-D381 PolarHBondContact N-O 3.04Å; S358-D381 PolarHBondContact OG-N 2.9Å; D381-L383 PolarHBondContact O-N 3.21Å
382C85.3Confident76.4Confident25 Ų2587.8 Ų87.817%0.16944%0.444CS..BIsolated β-bridgetrans-79.8105.3169.6175.40000109.9W357 S384 M385 C394W357-C382 HydrophobicContact CE3-CB 4.14Å; W357-C382 HydrophobicContact CH2-CB 4.22Å; W357-C382 HydrophobicContact CZ3-CB 3.83Å; C382-S384 VanDerWaalsContact C-N 3.34Å; C382-M385 HydrophobicContact CB-SD 4.47Å; C382-C394 VanDerWaalsContact CA-SG 3.6Å; C382-C394 HydrophobicContact CB-CB 3.75Å; C382-C394 WeakPolarHBondContact CB-SG 3.31Å; C382-C394 WeakPolarHBondContact SG-CB 3.39Å; C382-C394 CovalentContact SG-SG 2.03Å; C382-C394 PolarHBondContact SG-SG 3.16Å
383L83.1Confident75.9Confident59 Ų5988.6 Ų88.631%0.30945%0.448SS..G310 helixtrans-74.7-24.2-178.8-59178.1000112.5V356 D381 M385 K386V356-L383 HydrophobicContact CB-CB 4.46Å; V356-L383 HydrophobicContact CG1-CB 4.24Å; V356-L383 HydrophobicContact CG1-CD1 4.29Å; V356-L383 WeakPolarHBondContact O-CA 3.16Å; V356-L383 WeakPolarHBondContact O-CB 3.35Å; V356-L383 PolarHBondContact O-N 2.04Å; D381-L383 PolarHBondContact O-N 3.21Å; L383-M385 PolarHBondContact O-N 3.3Å; L383-K386 PolarHBondContact O-N 2.79Å
384S72.2Confident75.9Confident6 Ų682.4 Ų82.44%0.04242%0.419CS..G310 helixtrans-59.5-28.9178.4-63.20000113.6W353 V356 C382 K386 L387W353-S384 WeakPolarHBondContact CZ2-OG 3.44Å; V356-S384 PolarHBondContact N-OG 2.87Å; V356-S384 PolarHBondContact O-N 3.27Å; C382-S384 VanDerWaalsContact C-N 3.34Å; S384-K386 VanDerWaalsContact C-N 3.31Å; S384-K386 PolarHBondContact O-N 2.91Å; S384-L387 PolarHBondContact O-N 3.34Å
385M62.6Low75.5Confident137 Ų13786.4 Ų86.468%0.67544%0.442SS*.G310 helixtrans-66.2-31.7174.7-68.8179.171.200112.7C382 L383C382-M385 HydrophobicContact CB-SD 4.47Å; L383-M385 PolarHBondContact O-N 3.3Å
386K59.7Low74.9Confident166 Ų16683.6 Ų83.672%0.72245%0.448SS*.THydrogen-bonded Turntrans-75.8-23.8179.5-68-177.3179.1175.30112.7L383 S384 G388L383-K386 PolarHBondContact O-N 2.79Å; S384-K386 VanDerWaalsContact C-N 3.31Å; S384-K386 PolarHBondContact O-N 2.91Å; K386-G388 PolarHBondContact O-N 3.14Å
387L59.3Low74.4Confident129 Ų12986.4 Ų86.468%0.67547%0.468SS*.THydrogen-bonded Turntrans-80.56.2-177.5-79.7142.6000114.3S384 N389S384-L387 PolarHBondContact O-N 3.34Å; L387-N389 VanDerWaalsContact C-N 3.27Å; L387-N389 PolarHBondContact O-N 3.2Å
388G55Low74.2Confident58 Ų5887.5 Ų87.560%0.59848%0.477SS*.THydrogen-bonded Turntrans79.8-5.9171.900000116K386 K390K386-G388 PolarHBondContact O-N 3.14Å; G388-K390 PolarHBondContact O-N 2.85Å
389N53.1Low73.9Confident109 Ų10987.6 Ų87.658%0.58348%0.482SS*.  trans-79.382.8172.7-90.4-23.6000110.6L387 S391 K392L387-N389 VanDerWaalsContact C-N 3.27Å; L387-N389 PolarHBondContact O-N 3.2Å; N389-S391 PolarHBondContact O-N 3.14Å; N389-K392 PolarHBondContact O-N 3.1Å
390K53.8Low73.8Confident210 Ų21085 Ų8591%0.91347%0.472SS*.THydrogen-bonded Turntrans-59.3-15.5178.6-69-174.6178.4-178.60114.6G388G388-K390 PolarHBondContact O-N 2.85Å
391S55.4Low73.7Confident104 Ų10489.8 Ų89.873%0.72749%0.49SS*.THydrogen-bonded Turntrans-86.7-4.5-174.956.30000115.3N389N389-S391 PolarHBondContact O-N 3.14Å
392K61.9Low73.9Confident75 Ų7589.2 Ų89.233%0.32649%0.486SS..  trans-132.797.4-173.6-70.3-167.7-179.9-179.20112.5Y345 W353 N389Y345-K392 PolarHBondContact OH-NZ 3Å; W353-K392 HydrophobicContact CD2-CB 4.4Å; W353-K392 HydrophobicContact CD2-CD 3.88Å; W353-K392 HydrophobicContact CE3-CD 4.15Å; W353-K392 HydrophobicContact CG-CD 4.32Å; W353-K392 HydrophobicContact CH2-CD 4.36Å; W353-K392 HydrophobicContact CZ2-CB 3.74Å; W353-K392 HydrophobicContact CZ2-CD 4.12Å; W353-K392 HydrophobicContact CZ3-CD 4.39Å; N389-K392 PolarHBondContact O-N 3.1Å
393L73.9Confident74.2Confident132 Ų13294.9 Ų94.969%0.69151%0.508SS*.PPolyproline II helixtrans-74149.3172.2-73.1126.9000110.9W353W353-L393 PolarHBondContact NE1-O 3.19Å
394C83.4Confident74.6Confident18 Ų1892.8 Ų92.812%0.12250%0.499CS..PPolyproline II helixtrans-74.6138.9172.1-59.50000110.6V354 W357 C382V354-C394 CarbonylContact O-C 3.53Å; V354-C394 WeakPolarHBondContact O-CA 3.01Å; W357-C394 HydrophobicContact CD2-CB 4.15Å; W357-C394 VanDerWaalsContact CE2-CB 3.42Å; W357-C394 HydrophobicContact CH2-CB 3.81Å; W357-C394 HydrophobicContact CZ2-CB 3.24Å; W357-C394 HydrophobicContact CZ3-CB 4.44Å; C382-C394 VanDerWaalsContact CA-SG 3.6Å; C382-C394 HydrophobicContact CB-CB 3.75Å; C382-C394 WeakPolarHBondContact CB-SG 3.31Å; C382-C394 WeakPolarHBondContact SG-CB 3.39Å; C382-C394 CovalentContact SG-SG 2.03Å; C382-C394 PolarHBondContact SG-SG 3.16Å
395L81.1Confident75.5Confident109 Ų10997.1 Ų97.157%0.57153%0.529SS*.PPolyproline II helixtrans-90138.8174.8-63.9-177.8000111.1W353 V354 W357W353-L395 WeakPolarHBondContact O-CD1 3.38Å; W353-L395 WeakPolarHBondContact O-CG 3.44Å; V354-L395 PolarHBondContact O-N 2.84Å; W357-L395 WeakPolarHBondContact CZ2-O 3.37Å; W357-L395 PolarHBondContact NE1-O 2.78Å
396G80Confident76.7Confident56 Ų5697.3 Ų97.358%0.57753%0.528SS*.SBendtrans103167.2-177.500000113.2W357W357-G396 WeakPolarHBondContact CZ2-O 3.3Å
397S83Confident77.9Confident66 Ų6694.6 Ų94.646%0.46252%0.518SS..  trans-75.5142.3-177.9-174.60000111.4R380 I399R380-S397 PolarHBondContact NE-O 3.04Å; R380-S397 PolarHBondContact NH2-O 2.95Å; S397-I399 VanDerWaalsContact CB-O 3.25Å; S397-I399 WeakPolarHBondContact CB-O 3.2Å; S397-I399 PolarHBondContact OG-N 3.33Å; S397-I399 VanDerWaalsContact OG-N 3.15Å; S397-I399 PolarHBondContact OG-O 3.11Å
398P86.1Confident79Confident67 Ų6794 Ų9444%0.43552%0.515SS..SBendtrans-73-13.8167.730.3-34.1000112.6W357 Q379 R380W357-P398 HydrophobicContact CH2-CB 4.48Å; W357-P398 HydrophobicContact CZ3-CB 4.23Å; Q379-P398 CarbonylContact C-O 3.55Å; Q379-P398 VanDerWaalsContact CA-O 3.3Å; Q379-P398 WeakPolarHBondContact CA-O 3.06Å; R380-P398 PolarHBondContact N-O 3.49Å
399I89.3Confident80.1Confident61 Ų6193.2 Ų93.231%0.31350%0.499SS..EExtended strand (participates in β ladder)trans-129.4137.2-176.2-61.3174.1000109.7L377 R378 Q379 S397 Y401L377-I399 HydrophobicContact CD1-CG2 3.44Å; L377-I399 VanDerWaalsContact CD1-CG2 3.44Å; L377-I399 HydrophobicContact CD2-CG2 4.13Å; L377-I399 HydrophobicContact CG-CG2 3.63Å; R378-I399 WeakPolarHBondContact O-CA 3.25Å; Q379-I399 HydrophobicContact CB-CG1 4.49Å; S397-I399 VanDerWaalsContact CB-O 3.25Å; S397-I399 WeakPolarHBondContact CB-O 3.2Å; S397-I399 PolarHBondContact OG-N 3.33Å; S397-I399 VanDerWaalsContact OG-N 3.15Å; S397-I399 PolarHBondContact OG-O 3.11Å; I399-Y401 HydrophobicContact CG2-CE2 3.84Å
400D90.3Very high81Confident57 Ų5792.6 Ų92.631%0.30550%0.5SS..EExtended strand (participates in β ladder)trans-129.4149.7178.4-169.619.7000111.1W360 W363 L377 R378W360-D400 HydrophobicContact CH2-CB 3.72Å; W360-D400 HydrophobicContact CZ2-CB 4.36Å; W360-D400 HydrophobicContact CZ3-CB 3.95Å; W363-D400 HydrophobicContact CH2-CB 4.4Å; L377-D400 WeakPolarHBondContact CA-O 3.43Å; R378-D400 HydrophobicContact CG-CB 3.95Å; R378-D400 IonicContact CZ-OD2 3.38Å; R378-D400 PolarHBondContact N-O 3.11Å; R378-D400 IonicContact NE-OD2 3.17Å; R378-D400 PolarHBondContact NE-OD2 2.94Å; R378-D400 IonicContact NH2-OD2 2.73Å; R378-D400 PolarHBondContact NH2-OD2 3.2Å; R378-D400 PolarHBondContact O-N 3.44Å
401Y91.9Very high81.7Confident144 Ų14489.4 Ų89.457%0.56548%0.483SS*.EExtended strand (participates in β ladder)trans-125.8133.5-174.6-60.6-92.2000110.7S376 L377 I399S376-Y401 WeakPolarHBondContact O-CA 2.98Å; L377-Y401 HydrophobicContact CD1-CD1 4.41Å; L377-Y401 HydrophobicContact CD1-CE1 3.72Å; L377-Y401 HydrophobicContact CG-CE1 4.45Å; I399-Y401 HydrophobicContact CG2-CE2 3.84Å
402I92.4Very high82.1Confident85 Ų8592.9 Ų92.944%0.43649%0.485SS..EExtended strand (participates in β ladder)trans-121.9134.8172-165.4166.8000110.4W363 Y375 S376 C404W363-I402 HydrophobicContact CD2-CG2 3.91Å; W363-I402 HydrophobicContact CE3-CB 4.41Å; W363-I402 HydrophobicContact CE3-CG2 3.57Å; W363-I402 HydrophobicContact CH2-CB 3.63Å; W363-I402 HydrophobicContact CH2-CG2 3.71Å; W363-I402 HydrophobicContact CZ2-CB 4.05Å; W363-I402 HydrophobicContact CZ2-CD1 4.34Å; W363-I402 HydrophobicContact CZ2-CG2 4.01Å; W363-I402 HydrophobicContact CZ3-CB 3.83Å; W363-I402 HydrophobicContact CZ3-CG2 3.47Å; W363-I402 VanDerWaalsContact CZ3-CG2 3.47Å; Y375-I402 VanDerWaalsContact CA-O 3.3Å; Y375-I402 WeakPolarHBondContact CA-O 3.1Å; S376-I402 PolarHBondContact N-O 3.14Å; S376-I402 PolarHBondContact O-N 2.84Å; I402-C404 PolarHBondContact O-N 2.81Å
403K90.8Very high82.3Confident144 Ų14492.5 Ų92.563%0.62650%0.502SS*.EExtended strand (participates in β ladder)trans-70.4125.8176.8-173.3-178.7178.7-175.40109.3Y375Y375-K403 HydrophobicContact CD1-CB 4.34Å; Y375-K403 HydrophobicContact CE1-CB 4.03Å; Y375-K403 HydrophobicContact CE1-CG 4.37Å
404C92.1Very high81.8Confident16 Ų1690.1 Ų90.111%0.10849%0.489CS..PPolyproline II helixtrans-86.2164.5174.3-61.90000111.7C366 R374 S376 I402C366-C404 HydrophobicContact CB-CB 3.72Å; C366-C404 WeakPolarHBondContact CB-SG 3.05Å; C366-C404 WeakPolarHBondContact SG-CB 3.32Å; C366-C404 CovalentContact SG-SG 2.03Å; C366-C404 PolarHBondContact SG-SG 2.81Å; R374-C404 HydrophobicContact CB-CB 3.88Å; R374-C404 PolarHBondContact O-N 3.45Å; S376-C404 PolarHBondContact N-SG 2.82Å; I402-C404 PolarHBondContact O-N 2.81Å
405S90.9Very high80.8Confident96 Ų9689.9 Ų89.967%0.67149%0.488SS*.PPolyproline II helixtrans-62.5148.2168.447.50000111.5R374R374-S405 PolarHBondContact NH1-O 3.14Å
406E87.9Confident79.9Confident142 Ų14292 Ų9266%0.66449%0.489SS*.PPolyproline II helixtrans-63.4147173.360.9-176.5-165.700111.2G371G371-E406 WeakPolarHBondContact O-CA 3.01Å
407H85.5Confident79Confident109 Ų10993 Ų9351%0.50549%0.485SS..BIsolated β-bridgetrans-144.3128.9176.8-174.7-72.4000109.4C370 G371 C409C370-H407 CarbonylContact C-O 3.37Å; C370-H407 WeakPolarHBondContact CA-O 3.45Å; G371-H407 PolarHBondContact N-O 3.22Å; G371-H407 PolarHBondContact O-N 3.07Å; G371-H407 VanDerWaalsContact O-N 3.1Å; H407-C409 PolarHBondContact O-N 3.22Å
408L80.4Confident78Confident117 Ų11794.4 Ų94.461%0.61349%0.488SS*.PPolyproline II helixtrans-64.3134.7-176.5-71109000111.6S415L408-S415 WeakPolarHBondContact CD2-OG 3.29Å
409C78.7Confident76.9Confident41 Ų4193.7 Ų93.728%0.27748%0.48SS..PPolyproline II helixtrans-82.1120.3171.6-71.50000110C370 G371 H407 S415 Y416C370-C409 HydrophobicContact CB-CB 3.85Å; C370-C409 WeakPolarHBondContact CB-SG 3.07Å; C370-C409 WeakPolarHBondContact SG-CA 3.42Å; C370-C409 WeakPolarHBondContact SG-CB 3.22Å; C370-C409 CovalentContact SG-SG 2.04Å; C370-C409 PolarHBondContact SG-SG 2.97Å; G371-C409 PolarHBondContact N-SG 3.1Å; G371-C409 VanDerWaalsContact N-SG 3.38Å; H407-C409 PolarHBondContact O-N 3.22Å; C409-S415 WeakPolarHBondContact O-CA 3.38Å; C409-Y416 PolarHBondContact O-N 2.83Å; C409-Y416 VanDerWaalsContact O-N 3.13Å
410T72.8Confident75.9Confident96 Ų9697.4 Ų97.459%0.58949%0.492SS*.EExtended strand (participates in β ladder)trans-102.5125.1171.354.20000109.7I414T410-I414 CarbonylContact C-O 3.54Å; T410-I414 WeakPolarHBondContact CA-O 3.26Å
411Y67.4Low74.6Confident142 Ų14297.7 Ų97.756%0.55750%0.498SS*.EExtended strand (participates in β ladder)trans-108.4119.1169.3178.1-107.4000108G413 I414 L419Y411-G413 PolarHBondContact O-N 2.93Å; Y411-I414 PolarHBondContact N-O 2.78Å; Y411-I414 PolarHBondContact O-N 2.71Å; Y411-L419 HydrophobicContact CD1-CD2 4.36Å
412K64.2Low73.2Confident178 Ų17893.8 Ų93.877%0.77449%0.491SS*.THydrogen-bonded Turntrans49.640.2-171.4-62.9-173.6175.4-175.50113.3I414K412-I414 VanDerWaalsContact C-N 3.26Å; K412-I414 PolarHBondContact O-N 3.46Å
413G65.7Low71.9Confident67 Ų6794.2 Ų94.269%0.69149%0.494SS*.THydrogen-bonded Turntrans79.7-3.9-178.200000115.4Y411Y411-G413 PolarHBondContact O-N 2.93Å
414I63.7Low70.8Confident81 Ų8191.8 Ų91.842%0.41549%0.485SS..EExtended strand (participates in β ladder)trans-104.3127.4-178.1-56.1167.7000109.4T410 Y411 K412 N418 L419T410-I414 CarbonylContact C-O 3.54Å; T410-I414 WeakPolarHBondContact CA-O 3.26Å; Y411-I414 PolarHBondContact N-O 2.78Å; Y411-I414 PolarHBondContact O-N 2.71Å; K412-I414 VanDerWaalsContact C-N 3.26Å; K412-I414 PolarHBondContact O-N 3.46Å; I414-N418 HydrophobicContact CG2-CB 3.84Å; I414-L419 HydrophobicContact CG2-CB 4.28Å
415S63.6Low69.6Low14 Ų1497.6 Ų97.610%0.09851%0.51CS..EExtended strand (participates in β ladder)trans-61.1137173.9-174.80000111.1L408 C409 P417 N418 L419L408-S415 WeakPolarHBondContact CD2-OG 3.29Å; C409-S415 WeakPolarHBondContact O-CA 3.38Å; S415-P417 VanDerWaalsContact OG-CD 3.24Å; S415-P417 WeakPolarHBondContact OG-CD 3.37Å; S415-P417 VanDerWaalsContact OG-CG 3.26Å; S415-P417 WeakPolarHBondContact OG-CG 3.35Å; S415-N418 WeakPolarHBondContact O-CA 3.48Å; S415-N418 WeakPolarHBondContact O-CB 3.29Å; S415-N418 PolarHBondContact O-N 3.36Å; S415-L419 PolarHBondContact O-N 2.97Å
416Y60.8Low68.6Low153 Ų15398 Ų9860%0.651%0.505SS*.Hα-helixtrans-51.4-43.4179.4-147.1-86000114.6C409 N418 L419 Y420C409-Y416 PolarHBondContact O-N 2.83Å; C409-Y416 VanDerWaalsContact O-N 3.13Å; Y416-N418 VanDerWaalsContact C-N 3.28Å; Y416-N418 PolarHBondContact O-N 3.01Å; Y416-L419 PolarHBondContact O-N 2.93Å; Y416-Y420 PolarHBondContact O-N 2.02Å
417P60.6Low67.9Low76 Ų7694.8 Ų94.849%0.49450%0.495SS..Hα-helixtrans-58-38.7171.416.2-29.9000112.9S415 Y420 S421S415-P417 VanDerWaalsContact OG-CD 3.24Å; S415-P417 WeakPolarHBondContact OG-CD 3.37Å; S415-P417 VanDerWaalsContact OG-CG 3.26Å; S415-P417 WeakPolarHBondContact OG-CG 3.35Å; P417-Y420 PolarHBondContact O-N 3.2Å; P417-S421 WeakPolarHBondContact O-CB 3.46Å; P417-S421 PolarHBondContact O-N 3.17Å; P417-S421 PolarHBondContact O-OG 2.89Å; P417-S421 VanDerWaalsContact O-OG 3.09Å
418N62.3Low67.1Low96 Ų9693.1 Ų93.151%0.51350%0.495SS..Hα-helixtrans-68.5-40.3177.1-64.4-8000111.6I414 S415 Y416 Y420 S421 S422I414-N418 HydrophobicContact CG2-CB 3.84Å; S415-N418 WeakPolarHBondContact O-CA 3.48Å; S415-N418 WeakPolarHBondContact O-CB 3.29Å; S415-N418 PolarHBondContact O-N 3.36Å; Y416-N418 VanDerWaalsContact C-N 3.28Å; Y416-N418 PolarHBondContact O-N 3.01Å; N418-Y420 VanDerWaalsContact C-N 3.35Å; N418-Y420 PolarHBondContact O-N 3.32Å; N418-S421 PolarHBondContact O-N 2.99Å; N418-S422 PolarHBondContact O-N 3.15Å; N418-S422 PolarHBondContact O-OG 2.95Å
419L64.2Low66.7Low53 Ų5390.2 Ų90.228%0.27749%0.488SS..Hα-helixtrans-60.5-45.4175.7-175.670000111.1Y411 I414 S415 Y416 S422 I423Y411-L419 HydrophobicContact CD1-CD2 4.36Å; I414-L419 HydrophobicContact CG2-CB 4.28Å; S415-L419 PolarHBondContact O-N 2.97Å; Y416-L419 PolarHBondContact O-N 2.93Å; L419-S422 PolarHBondContact O-N 3.26Å; L419-I423 HydrophobicContact CG-CD1 4.21Å; L419-I423 WeakPolarHBondContact O-CG1 3.3Å; L419-I423 PolarHBondContact O-N 3.31Å; L419-I423 VanDerWaalsContact O-N 3.1Å
420Y66.9Low66.6Low139 Ų13993.6 Ų93.655%0.54550%0.502SS..Hα-helixtrans-64-43.7177.9-172.2-98.1000111.9Y416 P417 N418 S422 I423 Q424Y416-Y420 PolarHBondContact O-N 2.02Å; P417-Y420 PolarHBondContact O-N 3.2Å; N418-Y420 VanDerWaalsContact C-N 3.35Å; N418-Y420 PolarHBondContact O-N 3.32Å; Y420-S422 PolarHBondContact O-N 3.36Å; Y420-I423 PolarHBondContact O-N 3.03Å; Y420-Q424 HydrophobicContact CD1-CG 4.31Å; Y420-Q424 HydrophobicContact CE1-CG 3.93Å; Y420-Q424 PolarHBondContact O-N 2.82Å; Y420-Q424 VanDerWaalsContact O-N 3.11Å; Y420-Q424 PolarHBondContact OH-NE2 3.21Å
421S64.2Low66.7Low63 Ų6393.4 Ų93.444%0.44150%0.498SS..Hα-helixtrans-62.3-40.5175.9-66.70000112.7P417 N418 Q424 Q425P417-S421 WeakPolarHBondContact O-CB 3.46Å; P417-S421 PolarHBondContact O-N 3.17Å; P417-S421 PolarHBondContact O-OG 2.89Å; P417-S421 VanDerWaalsContact O-OG 3.09Å; N418-S421 PolarHBondContact O-N 2.99Å; S421-Q424 PolarHBondContact O-N 2.68Å; S421-Q425 WeakPolarHBondContact O-CG 3.43Å; S421-Q425 PolarHBondContact O-N 3.43Å; S421-Q425 VanDerWaalsContact O-N 3.13Å
422S61.5Low67.2Low61 Ų6193.7 Ų93.743%0.42750%0.502SS..Hα-helixtrans-66.2-37.9176.7-66.10000112.9N418 L419 Y420 N426N418-S422 PolarHBondContact O-N 3.15Å; N418-S422 PolarHBondContact O-OG 2.95Å; L419-S422 PolarHBondContact O-N 3.26Å; Y420-S422 PolarHBondContact O-N 3.36Å; S422-N426 PolarHBondContact O-N 2.82Å; S422-N426 PolarHBondContact O-ND2 2.79Å
423I65.4Low68Low94 Ų9489 Ų8948%0.48249%0.488SS..Hα-helixtrans-65.7-44.9177.1-67.1166.2000110.6L419 Y420 Q425 N426 V427L419-I423 HydrophobicContact CG-CD1 4.21Å; L419-I423 WeakPolarHBondContact O-CG1 3.3Å; L419-I423 PolarHBondContact O-N 3.31Å; L419-I423 VanDerWaalsContact O-N 3.1Å; Y420-I423 PolarHBondContact O-N 3.03Å; I423-Q425 PolarHBondContact O-N 2.47Å; I423-N426 PolarHBondContact O-N 2.03Å; I423-V427 WeakPolarHBondContact O-CG2 3.47Å; I423-V427 PolarHBondContact O-N 3.17Å; I423-V427 VanDerWaalsContact O-N 3.16Å
424Q67.7Low68.8Low94 Ų9492 Ų9244%0.43948%0.483SS..Hα-helixtrans-60.4-43.9178.6-76.9-75.5-12.400112Y420 S421 N426 V427 S428Y420-Q424 HydrophobicContact CD1-CG 4.31Å; Y420-Q424 HydrophobicContact CE1-CG 3.93Å; Y420-Q424 PolarHBondContact O-N 2.82Å; Y420-Q424 VanDerWaalsContact O-N 3.11Å; Y420-Q424 PolarHBondContact OH-NE2 3.21Å; S421-Q424 PolarHBondContact O-N 2.68Å; Q424-N426 VanDerWaalsContact C-N 3.33Å; Q424-N426 PolarHBondContact O-N 3.17Å; Q424-V427 PolarHBondContact O-N 3.36Å; Q424-S428 PolarHBondContact O-N 3.01Å; Q424-S428 VanDerWaalsContact O-N 3.07Å; Q424-S428 PolarHBondContact O-OG 3.44Å; Q424-S428 VanDerWaalsContact O-OG 3.1Å
425Q67.5Low69.5Low137 Ų13792.8 Ų92.864%0.6449%0.488SS*.Hα-helixtrans-60.9-40.2178.4-74.6-179.4-8.200112.7S421 I423 A429S421-Q425 WeakPolarHBondContact O-CG 3.43Å; S421-Q425 PolarHBondContact O-N 3.43Å; S421-Q425 VanDerWaalsContact O-N 3.13Å; I423-Q425 PolarHBondContact O-N 2.47Å; Q425-A429 WeakPolarHBondContact O-CB 3.35Å; Q425-A429 PolarHBondContact O-N 3.35Å; Q425-A429 VanDerWaalsContact O-N 3.12Å
426N69.6Low70.6Confident106 Ų10695.3 Ų95.357%0.56750%0.502SS*.Hα-helixtrans-68-39178.6-71.2-22.6000112.5S422 I423 Q424 A429 I430S422-N426 PolarHBondContact O-N 2.82Å; S422-N426 PolarHBondContact O-ND2 2.79Å; I423-N426 PolarHBondContact O-N 2.03Å; Q424-N426 VanDerWaalsContact C-N 3.33Å; Q424-N426 PolarHBondContact O-N 3.17Å; N426-A429 PolarHBondContact O-N 2.9Å; N426-I430 WeakPolarHBondContact O-CD1 3.49Å; N426-I430 VanDerWaalsContact O-CG1 3.29Å; N426-I430 WeakPolarHBondContact O-CG1 3.34Å; N426-I430 PolarHBondContact O-N 3.27Å; N426-I430 VanDerWaalsContact O-N 3.12Å
427V73.6Confident72Confident74 Ų7493.1 Ų93.145%0.44850%0.5SS..Hα-helixtrans-67.3-42.5178.4174.30000111.3I423 Q424 A429 I430 N431I423-V427 WeakPolarHBondContact O-CG2 3.47Å; I423-V427 PolarHBondContact O-N 3.17Å; I423-V427 VanDerWaalsContact O-N 3.16Å; Q424-V427 PolarHBondContact O-N 3.36Å; V427-A429 PolarHBondContact O-N 2.81Å; V427-I430 PolarHBondContact O-N 2.89Å; V427-N431 PolarHBondContact O-N 3.39Å; V427-N431 VanDerWaalsContact O-N 3.1Å
428S69Low73.4Confident73 Ų7392.4 Ų92.451%0.5149%0.494SS..Hα-helixtrans-63.1-41176.6-53.90000112.2Q424 F432Q424-S428 PolarHBondContact O-N 3.01Å; Q424-S428 VanDerWaalsContact O-N 3.07Å; Q424-S428 PolarHBondContact O-OG 3.44Å; Q424-S428 VanDerWaalsContact O-OG 3.1Å; S428-F432 PolarHBondContact O-N 3.09Å
429A71.7Confident74.7Confident56 Ų5691.8 Ų91.846%0.46350%0.496SS..Hα-helixtrans-63.7-44.8178.100000112.3Q425 N426 V427 F432 T433Q425-A429 WeakPolarHBondContact O-CB 3.35Å; Q425-A429 PolarHBondContact O-N 3.35Å; Q425-A429 VanDerWaalsContact O-N 3.12Å; N426-A429 PolarHBondContact O-N 2.9Å; V427-A429 PolarHBondContact O-N 2.81Å; A429-F432 PolarHBondContact O-N 3.47Å; A429-T433 PolarHBondContact O-N 2.95Å; A429-T433 VanDerWaalsContact O-N 3.12Å; A429-T433 PolarHBondContact O-OG1 3.39Å
430I76.5Confident76Confident113 Ų11393.2 Ų93.258%0.57951%0.507SS*.Hα-helixtrans-62.4-47.8178.5-67.8166.1000110.7N426 V427 F432 T433 F434N426-I430 WeakPolarHBondContact O-CD1 3.49Å; N426-I430 VanDerWaalsContact O-CG1 3.29Å; N426-I430 WeakPolarHBondContact O-CG1 3.34Å; N426-I430 PolarHBondContact O-N 3.27Å; N426-I430 VanDerWaalsContact O-N 3.12Å; V427-I430 PolarHBondContact O-N 2.89Å; I430-F432 VanDerWaalsContact C-N 3.3Å; I430-F432 PolarHBondContact O-N 2.03Å; I430-T433 PolarHBondContact O-N 3.35Å; I430-T433 PolarHBondContact O-OG1 3.21Å; I430-F434 PolarHBondContact O-N 2.84Å
431N75.5Confident77Confident92 Ų9289.9 Ų89.949%0.49250%0.501SS..Hα-helixtrans-62.3-36.5178.9-85.4-20000112.6V427 N435V427-N431 PolarHBondContact O-N 3.39Å; V427-N431 VanDerWaalsContact O-N 3.1Å; N431-N435 PolarHBondContact O-N 3.01Å; N431-N435 VanDerWaalsContact O-N 3.14Å; N431-N435 PolarHBondContact O-ND2 3.24Å
432F77.9Confident78.4Confident148 Ų14890 Ų9065%0.64950%0.499SS*.Hα-helixtrans-64-47.7176.1-171.8-98.3000111.5S428 A429 I430 F434 N435 V436S428-F432 PolarHBondContact O-N 3.09Å; A429-F432 PolarHBondContact O-N 3.47Å; I430-F432 VanDerWaalsContact C-N 3.3Å; I430-F432 PolarHBondContact O-N 2.03Å; F432-F434 PolarHBondContact O-N 2.81Å; F432-N435 PolarHBondContact O-N 2.97Å; F432-V436 HydrophobicContact CD1-CG2 4.12Å; F432-V436 HydrophobicContact CE1-CG2 3.8Å; F432-V436 HydrophobicContact CZ-CG2 4.07Å; F432-V436 WeakPolarHBondContact O-CG2 3.22Å; F432-V436 PolarHBondContact O-N 3.27Å
433T80.5Confident79.8Confident79 Ų7991.5 Ų91.549%0.48551%0.505SS..Hα-helixtrans-61.3-41.117955.30000113A429 I430 V436 I437A429-T433 PolarHBondContact O-N 2.95Å; A429-T433 VanDerWaalsContact O-N 3.12Å; A429-T433 PolarHBondContact O-OG1 3.39Å; I430-T433 PolarHBondContact O-N 3.35Å; I430-T433 PolarHBondContact O-OG1 3.21Å; T433-V436 PolarHBondContact O-N 2.92Å; T433-I437 WeakPolarHBondContact O-CG1 3.48Å; T433-I437 PolarHBondContact O-N 3.44Å; T433-I437 VanDerWaalsContact O-N 3.17Å
434F82.1Confident81Confident130 Ų13090.7 Ų90.757%0.5751%0.505SS*.Hα-helixtrans-63.4-46.6177.4-175.8-97.9000112.3I430 F432 V436 I437 V438I430-F434 PolarHBondContact O-N 2.84Å; F432-F434 PolarHBondContact O-N 2.81Å; F434-V436 VanDerWaalsContact C-N 3.33Å; F434-V436 PolarHBondContact O-N 3.12Å; F434-I437 PolarHBondContact O-N 3.24Å; F434-V438 HydrophobicContact CD1-CG2 4.23Å; F434-V438 HydrophobicContact CE1-CG2 3.86Å; F434-V438 HydrophobicContact CZ-CG2 4.08Å; F434-V438 WeakPolarHBondContact O-CG2 3.03Å; F434-V438 PolarHBondContact O-N 3.45Å
435N78.9Confident82.2Confident97 Ų9790.8 Ų90.852%0.51951%0.507SS..Hα-helixtrans-63.8-37.8179-77.2-61.2000112.5N431 F432 I437 V438 C439N431-N435 PolarHBondContact O-N 3.01Å; N431-N435 VanDerWaalsContact O-N 3.14Å; N431-N435 PolarHBondContact O-ND2 3.24Å; F432-N435 PolarHBondContact O-N 2.97Å; N435-I437 PolarHBondContact O-N 2.81Å; N435-V438 PolarHBondContact O-N 3.37Å; N435-C439 PolarHBondContact O-N 3.39Å
436V86.3Confident83.1Confident67 Ų6792.8 Ų92.841%0.40651%0.509SS..Hα-helixtrans-61.5-44.1175.1170.90000111.1F432 T433 F434 V438 C439 V440F432-V436 HydrophobicContact CD1-CG2 4.12Å; F432-V436 HydrophobicContact CE1-CG2 3.8Å; F432-V436 HydrophobicContact CZ-CG2 4.07Å; F432-V436 WeakPolarHBondContact O-CG2 3.22Å; F432-V436 PolarHBondContact O-N 3.27Å; T433-V436 PolarHBondContact O-N 2.92Å; F434-V436 VanDerWaalsContact C-N 3.33Å; F434-V436 PolarHBondContact O-N 3.12Å; V436-V438 PolarHBondContact O-N 3.2Å; V436-C439 PolarHBondContact O-N 3.31Å; V436-V440 WeakPolarHBondContact O-CG2 3.34Å; V436-V440 PolarHBondContact O-N 3.19Å
437I89.9Confident83.9Confident108 Ų10890.6 Ų90.655%0.55450%0.502SS*.Hα-helixtrans-63.5-42.9178.4-66.5165.2000111.2T433 F434 N435 V440 T441T433-I437 WeakPolarHBondContact O-CG1 3.48Å; T433-I437 PolarHBondContact O-N 3.44Å; T433-I437 VanDerWaalsContact O-N 3.17Å; F434-I437 PolarHBondContact O-N 3.24Å; N435-I437 PolarHBondContact O-N 2.81Å; I437-V440 PolarHBondContact O-N 2.76Å; I437-T441 WeakPolarHBondContact O-CG2 3.32Å; I437-T441 PolarHBondContact O-N 3.24Å; I437-T441 PolarHBondContact O-OG1 2.94Å; I437-T441 VanDerWaalsContact O-OG1 3.05Å
438V90.5Very high84.6Confident61 Ų6192.4 Ų92.437%0.3751%0.508SS..Hα-helixtrans-63.1-44.9177.2174.40000111F434 N435 V436 V440 T441 V442F434-V438 HydrophobicContact CD1-CG2 4.23Å; F434-V438 HydrophobicContact CE1-CG2 3.86Å; F434-V438 HydrophobicContact CZ-CG2 4.08Å; F434-V438 WeakPolarHBondContact O-CG2 3.03Å; F434-V438 PolarHBondContact O-N 3.45Å; N435-V438 PolarHBondContact O-N 3.37Å; V436-V438 PolarHBondContact O-N 3.2Å; V438-V440 PolarHBondContact O-N 3.33Å; V438-T441 WeakPolarHBondContact CA-OG1 3.44Å; V438-T441 PolarHBondContact O-N 3.12Å; V438-T441 PolarHBondContact O-OG1 3.34Å; V438-V442 VanDerWaalsContact O-CG2 3.31Å; V438-V442 WeakPolarHBondContact O-CG2 3.28Å; V438-V442 PolarHBondContact O-N 3.35Å; V438-V442 VanDerWaalsContact O-N 3.08Å
439C88.9Confident85.5Confident82 Ų8294 Ų9455%0.55451%0.511SS*.Hα-helixtrans-60.4-45.5176.8-82.40000112.5N435 V436 T441 V442 V443N435-C439 PolarHBondContact O-N 3.39Å; V436-C439 PolarHBondContact O-N 3.31Å; C439-T441 PolarHBondContact O-N 3.13Å; C439-V442 PolarHBondContact O-N 2.95Å; C439-V443 VanDerWaalsContact O-CG2 3.31Å; C439-V443 WeakPolarHBondContact O-CG2 3.29Å; C439-V443 PolarHBondContact O-N 2.89Å
440V91.8Very high86.1Confident83 Ų8397.8 Ų97.850%0.50352%0.517SS..Hα-helixtrans-63.6-42.8180172.80000111.3V436 I437 V438 V443 V444V436-V440 WeakPolarHBondContact O-CG2 3.34Å; V436-V440 PolarHBondContact O-N 3.19Å; I437-V440 PolarHBondContact O-N 2.76Å; V438-V440 PolarHBondContact O-N 3.33Å; V440-V443 PolarHBondContact O-N 3.45Å; V440-V444 HydrophobicContact CG1-CG2 4.41Å; V440-V444 VanDerWaalsContact O-CG2 3.28Å; V440-V444 WeakPolarHBondContact O-CG2 2.82Å; V440-V444 PolarHBondContact O-N 2.75Å
441T88.9Confident86.5Confident69 Ų6997.2 Ų97.242%0.42352%0.515SS..Hα-helixtrans-65-41.7179.751.30000112.1I437 V438 C439 V444 I445I437-T441 WeakPolarHBondContact O-CG2 3.32Å; I437-T441 PolarHBondContact O-N 3.24Å; I437-T441 PolarHBondContact O-OG1 2.94Å; I437-T441 VanDerWaalsContact O-OG1 3.05Å; V438-T441 WeakPolarHBondContact CA-OG1 3.44Å; V438-T441 PolarHBondContact O-N 3.12Å; V438-T441 PolarHBondContact O-OG1 3.34Å; C439-T441 PolarHBondContact O-N 3.13Å; T441-V444 PolarHBondContact O-N 3.37Å; T441-I445 VanDerWaalsContact O-CG1 3.26Å; T441-I445 WeakPolarHBondContact O-CG1 3.03Å; T441-I445 PolarHBondContact O-N 2.03Å
442V92.6Very high86.8Confident67 Ų6795.6 Ų95.641%0.40651%0.514SS..Hα-helixtrans-60.2-50.3174.4173.20000110.5V438 C439 V444 I445 W446V438-V442 VanDerWaalsContact O-CG2 3.31Å; V438-V442 WeakPolarHBondContact O-CG2 3.28Å; V438-V442 PolarHBondContact O-N 3.35Å; V438-V442 VanDerWaalsContact O-N 3.08Å; C439-V442 PolarHBondContact O-N 2.95Å; V442-V444 VanDerWaalsContact C-N 3.29Å; V442-V444 PolarHBondContact O-N 2.9Å; V442-I445 PolarHBondContact O-N 2.84Å; V442-W446 PolarHBondContact O-N 2.8Å
443V90.9Very high86.9Confident91 Ų9191.5 Ų91.555%0.55250%0.504SS*.Hα-helixtrans-59.4-40-179.7172.30000112.1C439 V440 S447C439-V443 VanDerWaalsContact O-CG2 3.31Å; C439-V443 WeakPolarHBondContact O-CG2 3.29Å; C439-V443 PolarHBondContact O-N 2.89Å; V440-V443 PolarHBondContact O-N 3.45Å; V443-S447 WeakPolarHBondContact O-CB 3.26Å; V443-S447 PolarHBondContact O-N 3.31Å; V443-S447 PolarHBondContact O-OG 3.34Å
444V91.4Very high86.9Confident78 Ų7891.3 Ų91.347%0.47350%0.499SS..Hα-helixtrans-65.3-45.1177.3170.80000111.2V440 T441 V442 S447 L448V440-V444 HydrophobicContact CG1-CG2 4.41Å; V440-V444 VanDerWaalsContact O-CG2 3.28Å; V440-V444 WeakPolarHBondContact O-CG2 2.82Å; V440-V444 PolarHBondContact O-N 2.75Å; T441-V444 PolarHBondContact O-N 3.37Å; V442-V444 VanDerWaalsContact C-N 3.29Å; V442-V444 PolarHBondContact O-N 2.9Å; V444-S447 PolarHBondContact O-N 3.15Å; V444-L448 HydrophobicContact CG1-CD1 4.09Å; V444-L448 WeakPolarHBondContact O-CG 3.32Å; V444-L448 PolarHBondContact O-N 3.09Å
445I92.3Very high86.6Confident95 Ų9593 Ų9349%0.48751%0.506SS..Hα-helixtrans-61.6-47.1178.2-69.4166.2000110.9T441 V442 S447 L448 L449T441-I445 VanDerWaalsContact O-CG1 3.26Å; T441-I445 WeakPolarHBondContact O-CG1 3.03Å; T441-I445 PolarHBondContact O-N 2.03Å; V442-I445 PolarHBondContact O-N 2.84Å; I445-S447 VanDerWaalsContact C-N 3.33Å; I445-S447 PolarHBondContact O-N 3.27Å; I445-L448 PolarHBondContact O-N 2.88Å; I445-L449 HydrophobicContact CG2-CD1 4.02Å; I445-L449 HydrophobicContact CG2-CG 4.49Å; I445-L449 WeakPolarHBondContact O-CG 3.49Å; I445-L449 PolarHBondContact O-N 3.09Å
446W86.2Confident86.4Confident180 Ų18092.2 Ų92.268%0.68251%0.508SS*.Hα-helixtrans-63.6-39.1178.5-8288.9000112.2V442 L448 L449 F450V442-W446 PolarHBondContact O-N 2.8Å; W446-L448 VanDerWaalsContact C-N 3.35Å; W446-L448 PolarHBondContact O-N 2.72Å; W446-L449 PolarHBondContact O-N 3.45Å; W446-F450 VanDerWaalsContact O-CB 3.31Å; W446-F450 WeakPolarHBondContact O-CB 3.26Å; W446-F450 PolarHBondContact O-N 2.87Å
447S87Confident85.8Confident60 Ų6095.7 Ų95.742%0.4252%0.518SS..Hα-helixtrans-63.2-40.5175.7-61.20000112V443 V444 I445 F450 L451V443-S447 WeakPolarHBondContact O-CB 3.26Å; V443-S447 PolarHBondContact O-N 3.31Å; V443-S447 PolarHBondContact O-OG 3.34Å; V444-S447 PolarHBondContact O-N 3.15Å; I445-S447 VanDerWaalsContact C-N 3.33Å; I445-S447 PolarHBondContact O-N 3.27Å; S447-F450 PolarHBondContact O-N 3.37Å; S447-L451 WeakPolarHBondContact O-CB 3.34Å; S447-L451 WeakPolarHBondContact O-CD1 3.3Å; S447-L451 WeakPolarHBondContact O-CG 3.25Å; S447-L451 PolarHBondContact O-N 3.34Å
448L87.6Confident84.9Confident111 Ų11198.7 Ų98.758%0.58152%0.524SS*.Hα-helixtrans-66.9-42.3176-71.4171.3000112.3V444 I445 W446 F450 L451 A452V444-L448 HydrophobicContact CG1-CD1 4.09Å; V444-L448 WeakPolarHBondContact O-CG 3.32Å; V444-L448 PolarHBondContact O-N 3.09Å; I445-L448 PolarHBondContact O-N 2.88Å; W446-L448 VanDerWaalsContact C-N 3.35Å; W446-L448 PolarHBondContact O-N 2.72Å; L448-F450 VanDerWaalsContact C-N 3.34Å; L448-L451 PolarHBondContact O-N 2.8Å; L448-A452 WeakPolarHBondContact O-CB 3.12Å; L448-A452 PolarHBondContact O-N 2.86Å
449L87.1Confident83.8Confident108 Ų10897.6 Ų97.657%0.56553%0.525SS*.Hα-helixtrans-64.1-39.9175.6-71.8172.6000111.8I445 W446 A452 S453I445-L449 HydrophobicContact CG2-CD1 4.02Å; I445-L449 HydrophobicContact CG2-CG 4.49Å; I445-L449 WeakPolarHBondContact O-CG 3.49Å; I445-L449 PolarHBondContact O-N 3.09Å; W446-L449 PolarHBondContact O-N 3.45Å; L449-A452 PolarHBondContact O-N 2.83Å; L449-S453 PolarHBondContact O-N 2.99Å
450F85.3Confident82.7Confident134 Ų13498.6 Ų98.659%0.58852%0.524SS*.Hα-helixtrans-66.4-40.8176.4-169.7-105.4000112.1W446 S447 L448 A452 S453 I454W446-F450 VanDerWaalsContact O-CB 3.31Å; W446-F450 WeakPolarHBondContact O-CB 3.26Å; W446-F450 PolarHBondContact O-N 2.87Å; S447-F450 PolarHBondContact O-N 3.37Å; L448-F450 VanDerWaalsContact C-N 3.34Å; F450-A452 VanDerWaalsContact C-N 3.31Å; F450-A452 PolarHBondContact O-N 3.48Å; F450-S453 PolarHBondContact O-N 2.56Å; F450-S453 PolarHBondContact O-OG 3.47Å; F450-I454 HydrophobicContact CD1-CD1 3.65Å; F450-I454 HydrophobicContact CD1-CG1 4.46Å; F450-I454 HydrophobicContact CE1-CD1 3.31Å; F450-I454 HydrophobicContact CE1-CG1 4.24Å; F450-I454 HydrophobicContact CG-CD1 4.49Å; F450-I454 HydrophobicContact CZ-CD1 3.9Å; F450-I454 HydrophobicContact CZ-CG1 4.47Å; F450-I454 WeakPolarHBondContact O-CG1 3.34Å; F450-I454 PolarHBondContact O-N 3.46Å
451L83.9Confident81.2Confident102 Ų10298.4 Ų98.453%0.53452%0.52SS..Hα-helixtrans-63.5-37173.1-76.8163.6000112.2S447 L448 K455S447-L451 WeakPolarHBondContact O-CB 3.34Å; S447-L451 WeakPolarHBondContact O-CD1 3.3Å; S447-L451 WeakPolarHBondContact O-CG 3.25Å; S447-L451 PolarHBondContact O-N 3.34Å; L448-L451 PolarHBondContact O-N 2.8Å; L451-K455 WeakPolarHBondContact O-CG 3.23Å; L451-K455 PolarHBondContact O-N 3.23Å; L451-K455 VanDerWaalsContact O-N 3.09Å
452A82.1Confident79.9Confident57 Ų57103.5 Ų103.547%0.47154%0.536SS..Hα-helixtrans-67.9-40.9175.500000112.2L448 L449 F450 K455 S456L448-A452 WeakPolarHBondContact O-CB 3.12Å; L448-A452 PolarHBondContact O-N 2.86Å; L449-A452 PolarHBondContact O-N 2.83Å; F450-A452 VanDerWaalsContact C-N 3.31Å; F450-A452 PolarHBondContact O-N 3.48Å; A452-K455 PolarHBondContact O-N 3.38Å; A452-S456 PolarHBondContact O-N 3.29Å
453S80.2Confident78.4Confident63 Ų63108.6 Ų108.644%0.44155%0.553SS.*Hα-helixtrans-67.1-39.9177.974.20000111.7L449 F450 S456 F457L449-S453 PolarHBondContact O-N 2.99Å; F450-S453 PolarHBondContact O-N 2.56Å; F450-S453 PolarHBondContact O-OG 3.47Å; S453-S456 PolarHBondContact O-N 3.15Å; S453-F457 WeakPolarHBondContact O-CB 3.33Å; S453-F457 PolarHBondContact O-N 2.88Å
454I80Confident76.7Confident74 Ų74109.3 Ų109.338%0.37955%0.553SS.*Hα-helixtrans-60.9-46.9173.1-70.7171.6000110.5F450 S456 F457 Y458F450-I454 HydrophobicContact CD1-CD1 3.65Å; F450-I454 HydrophobicContact CD1-CG1 4.46Å; F450-I454 HydrophobicContact CE1-CD1 3.31Å; F450-I454 HydrophobicContact CE1-CG1 4.24Å; F450-I454 HydrophobicContact CG-CD1 4.49Å; F450-I454 HydrophobicContact CZ-CD1 3.9Å; F450-I454 HydrophobicContact CZ-CG1 4.47Å; F450-I454 WeakPolarHBondContact O-CG1 3.34Å; F450-I454 PolarHBondContact O-N 3.46Å; I454-S456 VanDerWaalsContact C-N 3.32Å; I454-S456 PolarHBondContact O-N 3.25Å; I454-F457 PolarHBondContact O-N 3.1Å; I454-Y458 HydrophobicContact CG2-CD2 4.5Å; I454-Y458 WeakPolarHBondContact O-CB 3.42Å; I454-Y458 PolarHBondContact O-N 3.46Å
455K76.3Confident74.9Confident167 Ų167114.8 Ų114.873%0.72657%0.567SS**Hα-helixtrans-60.2-41.9177.6-79.5-177178.5179.60112.1L451 A452 G459L451-K455 WeakPolarHBondContact O-CG 3.23Å; L451-K455 PolarHBondContact O-N 3.23Å; L451-K455 VanDerWaalsContact O-N 3.09Å; A452-K455 PolarHBondContact O-N 3.38Å; K455-G459 PolarHBondContact O-N 2.87Å
456S75.5Confident72.9Confident80 Ų80114.3 Ų114.356%0.55957%0.57SS**Hα-helixtrans-63.3-46.2176-1750000111.8A452 S453 I454 Y458 G459 L460A452-S456 PolarHBondContact O-N 3.29Å; S453-S456 PolarHBondContact O-N 3.15Å; I454-S456 VanDerWaalsContact C-N 3.32Å; I454-S456 PolarHBondContact O-N 3.25Å; S456-Y458 PolarHBondContact O-N 3.28Å; S456-G459 PolarHBondContact O-N 2.83Å; S456-G459 VanDerWaalsContact O-N 3.17Å; S456-L460 PolarHBondContact O-N 2.03Å
457F72.9Confident71.1Confident140 Ų140112.6 Ų112.661%0.61457%0.569SS**Hα-helixtrans-64.5-41.4179-161.6-101.8000112S453 I454 G459 L460 L461S453-F457 WeakPolarHBondContact O-CB 3.33Å; S453-F457 PolarHBondContact O-N 2.88Å; I454-F457 PolarHBondContact O-N 3.1Å; F457-G459 VanDerWaalsContact C-N 3.31Å; F457-G459 PolarHBondContact O-N 3.26Å; F457-L460 WeakPolarHBondContact O-CB 3.38Å; F457-L460 PolarHBondContact O-N 2.88Å; F457-L460 VanDerWaalsContact O-N 3.17Å; F457-L461 HydrophobicContact CD1-CD1 3.52Å; F457-L461 HydrophobicContact CE1-CD1 3.35Å; F457-L461 HydrophobicContact CZ-CD1 4.3Å; F457-L461 PolarHBondContact O-N 3.39Å
458Y72.3Confident69.3Low170 Ų170120.2 Ų120.267%0.66759%0.589SS**Hα-helixtrans-62.2-39.1173.7-124-88.2000111.9I454 S456 L460 L461 K462I454-Y458 HydrophobicContact CG2-CD2 4.5Å; I454-Y458 WeakPolarHBondContact O-CB 3.42Å; I454-Y458 PolarHBondContact O-N 3.46Å; S456-Y458 PolarHBondContact O-N 3.28Å; Y458-L460 VanDerWaalsContact C-N 3.33Å; Y458-L460 PolarHBondContact O-N 2.99Å; Y458-L461 PolarHBondContact O-N 2.62Å; Y458-K462 WeakPolarHBondContact O-CB 3.22Å; Y458-K462 PolarHBondContact O-N 2.92Å
459G66.7Low67.3Low39 Ų39125.4 Ų125.440%0.40260%0.601SS.*Hα-helixtrans-61.4-40173.200000112.8K455 S456 F457 K462 K463K455-G459 PolarHBondContact O-N 2.87Å; S456-G459 PolarHBondContact O-N 2.83Å; S456-G459 VanDerWaalsContact O-N 3.17Å; F457-G459 VanDerWaalsContact C-N 3.31Å; F457-G459 PolarHBondContact O-N 3.26Å; G459-K462 PolarHBondContact O-N 2.79Å; G459-K463 PolarHBondContact O-N 3.4Å
460L65.3Low65.4Low102 Ų102127.9 Ų127.953%0.53461%0.609SS.*Hα-helixtrans-68-44.4177.4-134.1102.6000112.1S456 F457 Y458 K462 K463 L464S456-L460 PolarHBondContact O-N 2.03Å; F457-L460 WeakPolarHBondContact O-CB 3.38Å; F457-L460 PolarHBondContact O-N 2.88Å; F457-L460 VanDerWaalsContact O-N 3.17Å; Y458-L460 VanDerWaalsContact C-N 3.33Å; Y458-L460 PolarHBondContact O-N 2.99Å; L460-K462 VanDerWaalsContact C-N 3.31Å; L460-K462 PolarHBondContact O-N 2.83Å; L460-K463 WeakPolarHBondContact O-CB 3.2Å; L460-K463 PolarHBondContact O-N 3.18Å; L460-K463 VanDerWaalsContact O-N 3.14Å; L460-L464 HydrophobicContact CD2-CD1 4.44Å; L460-L464 PolarHBondContact O-N 2.92Å; L460-L464 VanDerWaalsContact O-N 3.08Å
461L61.1Low63.7Low80 Ų80127.2 Ų127.242%0.41961%0.611SS.*Hα-helixtrans-60.3-40.2175.2-102.9142.6000112F457 Y458 K463 L464 Y465F457-L461 HydrophobicContact CD1-CD1 3.52Å; F457-L461 HydrophobicContact CE1-CD1 3.35Å; F457-L461 HydrophobicContact CZ-CD1 4.3Å; F457-L461 PolarHBondContact O-N 3.39Å; Y458-L461 PolarHBondContact O-N 2.62Å; L461-K463 VanDerWaalsContact C-N 3.29Å; L461-K463 PolarHBondContact O-N 2.91Å; L461-L464 PolarHBondContact O-N 3.08Å; L461-L464 VanDerWaalsContact O-N 3.17Å; L461-Y465 PolarHBondContact O-N 2.84Å; L461-Y465 VanDerWaalsContact O-N 3.14Å
462K61.2Low61.7Low175 Ų175130.9 Ų130.976%0.76162%0.622SS**Hα-helixtrans-65.6-31.3177-150.3176.1-173.3-179.80112.2Y458 G459 L460Y458-K462 WeakPolarHBondContact O-CB 3.22Å; Y458-K462 PolarHBondContact O-N 2.92Å; G459-K462 PolarHBondContact O-N 2.79Å; L460-K462 VanDerWaalsContact C-N 3.31Å; L460-K462 PolarHBondContact O-N 2.83Å
463K60.7Low60.1Low175 Ų175135.7 Ų135.776%0.76164%0.637SS**Hα-helixtrans-73.4-30172.1-87.2-175.2176.41790113.6G459 L460 L461 P466G459-K463 PolarHBondContact O-N 3.4Å; L460-K463 WeakPolarHBondContact O-CB 3.2Å; L460-K463 PolarHBondContact O-N 3.18Å; L460-K463 VanDerWaalsContact O-N 3.14Å; L461-K463 VanDerWaalsContact C-N 3.29Å; L461-K463 PolarHBondContact O-N 2.91Å; K463-P466 WeakPolarHBondContact O-CD 3.27Å
464L55.2Low58.5Low105 Ų105141 Ų14155%0.5565%0.652SS.*Hα-helixtrans-84-21.8-178.1-77.3164000113.7L460 L461 P466L460-L464 HydrophobicContact CD2-CD1 4.44Å; L460-L464 PolarHBondContact O-N 2.92Å; L460-L464 VanDerWaalsContact O-N 3.08Å; L461-L464 PolarHBondContact O-N 3.08Å; L461-L464 VanDerWaalsContact O-N 3.17Å; L464-P466 VanDerWaalsContact C-CD 3.49Å
465Y55Low56.8Low193 Ų193141.8 Ų141.876%0.75766%0.661SS**THydrogen-bonded Turntrans-68.1-27-177.6-125.9-94.5000116.5L461L461-Y465 PolarHBondContact O-N 2.84Å; L461-Y465 VanDerWaalsContact O-N 3.14Å
466P48.3Very low55.3Low85 Ų85138.3 Ų138.355%0.55266%0.657SS**THydrogen-bonded Turntrans-82.6-18.9178.4-4.622.6000114.2K463 L464 R468 R469K463-P466 WeakPolarHBondContact O-CD 3.27Å; L464-P466 VanDerWaalsContact C-CD 3.49Å; P466-R468 PolarHBondContact O-N 3.49Å; P466-R469 PolarHBondContact O-N 3.48Å
467Q50.5Low53.7Low144 Ų144144.8 Ų144.867%0.67367%0.669SS**Hα-helixtrans-72.9-25.6-175-97.9-173.5-22.900113.8R469Q467-R469 VanDerWaalsContact C-N 3.34Å; Q467-R469 PolarHBondContact O-N 3.16Å
468R47.6Very low52.3Low221 Ų221148.3 Ų148.383%0.83468%0.678SS**Hα-helixtrans-76-16178.9-96.3-177174-179-1.3114.6P466P466-R468 PolarHBondContact O-N 3.49Å
469R45.8Very low51.3Low220 Ų220145 Ų14583%0.8368%0.676SS**Hα-helixtrans-83.2-23.4-179.3-132.6177.2-175.2-170.21113.6P466 Q467P466-R469 PolarHBondContact O-N 3.48Å; Q467-R469 VanDerWaalsContact C-N 3.34Å; Q467-R469 PolarHBondContact O-N 3.16Å
470Q47.2Very low50.3Low159 Ų159147.8 Ų147.874%0.74369%0.685SS**Hα-helixtrans-80.1-25.2-179.9-77.2-115.9-9.200114.1K472 M473Q470-K472 VanDerWaalsContact C-N 3.29Å; Q470-K472 PolarHBondContact O-N 3.48Å; Q470-M473 PolarHBondContact O-N 3.18Å
471I49.5Very low49.4Very low120 Ų120149.8 Ų149.862%0.61570%0.696SS**Hα-helixtrans-71.9-26.2179.1-59.5175.8000111.3M473 T475I471-M473 VanDerWaalsContact C-N 3.28Å; I471-M473 PolarHBondContact O-N 2.91Å; I471-T475 PolarHBondContact O-OG1 2.72Å
472K43.5Very low48.7Very low179 Ų179148.2 Ų148.278%0.77870%0.699SS**Hα-helixtrans-68.7-17.4177.1-89.1-170.6174.6-174.90114.9Q470Q470-K472 VanDerWaalsContact C-N 3.29Å; Q470-K472 PolarHBondContact O-N 3.48Å
473M47.3Very low47.9Very low159 Ų159146.7 Ų146.778%0.78370%0.695SS**Hα-helixtrans-96.5-21.6-179.8-72.4-156-169.900114.9Q470 I471Q470-M473 PolarHBondContact O-N 3.18Å; I471-M473 VanDerWaalsContact C-N 3.28Å; I471-M473 PolarHBondContact O-N 2.91Å
474K45.9Very low47Very low173 Ų173145.5 Ų145.575%0.75270%0.697SS**Hα-helixtrans-83.8-26.1179.7-88.6-177175.9177.10114
475T44.8Very low46.3Very low92 Ų92148.7 Ų148.756%0.56471%0.709SS**Hα-helixtrans-78-29.6-178.3-22.60000112.6I471I471-T475 PolarHBondContact O-OG1 2.72Å
476S44.9Very low45.6Very low93 Ų93143 Ų14365%0.6570%0.697SS**Hα-helixtrans-76.8-23.3-178.8-160.80000113.6
477R41.5Very low45.3Very low216 Ų216147.4 Ų147.482%0.81571%0.708SS**Hα-helixtrans-84.1-16.1175.4-93.9-174.2-177.61761.4115.2
478R44.9Very low44.8Very low214 Ų214148.9 Ų148.981%0.80872%0.717SS**Hα-helixtrans-87.4-23.9176.9-85.1-172.5-172.5169.11.3113.9
479V50Low44.5Very low101 Ų101142.1 Ų142.161%0.61270%0.703SS**Hα-helixtrans-74.3-28.7-178.7179.10000111.9
480T46.8Very low44.4Very low97 Ų97138.2 Ų138.260%0.59570%0.696SS**THydrogen-bonded Turntrans-81.8-18.2178.644.70000114.6
481L45.6Very low44Very low144 Ų144137.9 Ų137.975%0.75470%0.699SS**THydrogen-bonded Turntrans-86.6-24175.7-131.484.9000113Q483L481-Q483 VanDerWaalsContact C-N 3.31Å; L481-Q483 PolarHBondContact O-N 2.89Å
482G45.7Very low43.4Very low48 Ų48143 Ų14350%0.49571%0.711SS.*THydrogen-bonded Turntrans-76-12.5-179.500000115.1
483Q44.7Very low43.1Very low143 Ų143145.4 Ų145.467%0.66872%0.715SS**THydrogen-bonded Turntrans-81.8-9.9-178.7-87179.2-3900114.4L481L481-Q483 VanDerWaalsContact C-N 3.31Å; L481-Q483 PolarHBondContact O-N 2.89Å
484N42.2Very low42.6Very low150 Ų150146.2 Ų146.280%0.80272%0.717SS**THydrogen-bonded Turntrans-105.3-3.3-176.6-86.7-1.2000116.2
485E41.3Very low42.1Very low172 Ų172143.2 Ų143.280%0.80472%0.717SS**THydrogen-bonded Turntrans-118.2-14.9-177.4-72.9-172.816300116.6
486S40.2Very low41.7Very low72 Ų72144.3 Ų144.350%0.50372%0.724SS.*SBendtrans-106.7-6.7-178.856.60000115.6M488 S489S486-M488 PolarHBondContact O-N 2.74Å; S486-M488 VanDerWaalsContact O-N 3.15Å; S486-S489 PolarHBondContact O-N 3.36Å; S486-S489 PolarHBondContact O-OG 2.92Å
487K40.3Very low41Very low179 Ų179145.7 Ų145.778%0.77872%0.724SS**THydrogen-bonded Turntrans-60.8-17.4160.9-104-179.2178.2178.90112.1
488M41.9Very low40.5Very low175 Ų175143 Ų14386%0.86273%0.726SS**THydrogen-bonded Turntrans-84-15174.6-137.4170.6-172.600113.8S486S486-M488 PolarHBondContact O-N 2.74Å; S486-M488 VanDerWaalsContact O-N 3.15Å
489S41Very low39.9Very low79 Ų79139 Ų13955%0.55272%0.72SS**THydrogen-bonded Turntrans-92.5-5.2175.260.40000114S486 N491S486-S489 PolarHBondContact O-N 3.36Å; S486-S489 PolarHBondContact O-OG 2.92Å; S489-N491 VanDerWaalsContact C-N 3.32Å; S489-N491 PolarHBondContact O-N 3.09Å
490M42.3Very low39.1Very low138 Ų138142.2 Ų142.268%0.6873%0.732SS**THydrogen-bonded Turntrans-76.9-14.8-177.3-138.9171.184.300113.7
491N40.3Very low38.3Very low151 Ų151149.4 Ų149.481%0.80775%0.748SS**THydrogen-bonded Turntrans-100.88.4-179.9-96.67.2000115.2S489S489-N491 VanDerWaalsContact C-N 3.32Å; S489-N491 PolarHBondContact O-N 3.09Å
492R36.7Very low37.6Very low228 Ų228151.3 Ų151.386%0.8675%0.754SS**SBendtrans-124.27.4-177.4-136.9-175.4-77.7-168.3-2.5115.8
493R35.8Very low36.9Very low229 Ų229152.1 Ų152.186%0.86476%0.762SS**SBendtrans-120.85.2176.7-88.4-174.2177.5-171.9-1.1115.7S495R493-S495 VanDerWaalsContact C-N 3.34Å; R493-S495 PolarHBondContact O-N 2.92Å
494E38Very low36.4Very low177 Ų177152.7 Ų152.783%0.82777%0.768SS**THydrogen-bonded Turntrans-847.6176.3-79.1-172.2158.400115.3
495S35.6Very low35.8Very low109 Ų109153.4 Ų153.476%0.76277%0.772SS**THydrogen-bonded Turntrans-128.216.8-177.696.10000116.9R493R493-S495 VanDerWaalsContact C-N 3.34Å; R493-S495 PolarHBondContact O-N 2.92Å
496V36Very low35.6Very low116 Ų116153 Ų15370%0.70377%0.77SS**SBendtrans-131.6104.5174.8-173.50000110.2
497N30.3Very low35.4Very low121 Ų121155.6 Ų155.665%0.64778%0.783SS**  trans67108.1166.3-65.7-5.3000116.3N499N497-N499 VanDerWaalsContact C-N 3.35Å
498N30.4Very low35Very low160 Ų160154.1 Ų154.186%0.85678%0.784SS**  cis29.756.315.6-78.23.2000114.8
499N32.1Very low34.7Very low129 Ų129153.7 Ų153.769%0.6979%0.785SS**  trans173.788.7149.9-86.1-16.4000107.3N497N497-N499 VanDerWaalsContact C-N 3.35Å
500I33.5Very low34.5Very low169 Ų169155.8 Ų155.887%0.86779%0.794SS**  trans-172.388138.6-82.6144.4000103
501R29.3Very low33.9Very low248 Ų248156.4 Ų156.494%0.93680%0.8SS**  trans-124.472.9169.4-175.3-176.5-175.5172.11.4104.6
502E31.9Very low33.3Very low184 Ų184156.6 Ų156.686%0.8684%0.838SS**  trans-144.5123.8172.7-76.5-168.916000110
503G31Very low33.1Very low66 Ų66153.1 Ų153.168%0.6884%0.837SS**  trans77.6105.9144.700000117.5
504I33.7Very low33Very low154 Ų154149.1 Ų149.179%0.7984%0.836SS**  155.493.2110-72.9152.8000106.9E506I504-E506 HydrophobicContact CG2-CB 4.11Å
505D30.6Very low32.7Very low166 Ų166147.5 Ų147.589%0.88884%0.836SS**  trans-77.6117.8145.9-81.5-43000106
506E36.1Very low32.5Very low164 Ų164149.8 Ų149.877%0.76684%0.841SS**  trans-160.5139.4159.6-116.9173.7-149.800111.7I504I504-E506 HydrophobicContact CG2-CB 4.11Å
507T35.9Very low32.3Very low126 Ų126151.9 Ų151.977%0.77385%0.849SS**  trans83.683.6166.266.60000118.5
508N32.6Very low32.5Very low147 Ų147153.9 Ų153.979%0.78686%0.863SS**  25.2106.2111.2-67.5-21.1000116.4
509N35.4Very low32.6Very low167 Ų167153.5 Ų153.589%0.89386%0.863SS**  -137.299.2129.7-135.7-3.1000108.3
510V36Very low32.6Very low122 Ų122155.4 Ų155.474%0.73988%0.876SS**  trans-77.5138.3174.3169.30000107.6
511N30.9Very low32.6Very low151 Ų151154.3 Ų154.381%0.80788%0.877SS**  trans-56.7171.8172.6-67.8-44.5000113.1
512G27.5Very low32.9Very low156 Ų156145.7 Ų145.7100%1.60887%0.872SS**  trans-0.60151.500000119.2

Retrieved 512 of 512 residues in 346.5 ms (Link to these results)

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