A0A077ZMK3_TRITR Loading...

Trehalase

AlphaFold DB , UniProt , Accession A0A077ZMK3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 180 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
1M48.4Very low53.9Low89 Ų89123.3 Ų123.344%0.43859%0.586SS.*  0120.70-148.2169.9-130.500105.8L27 I54 M80 T83M1-L27 HydrophobicContact CB-CD2 3.99Å; M1-L27 HydrophobicContact CG-CD2 4.32Å; M1-L27 HydrophobicContact SD-CD2 3.35Å; M1-L27 WeakPolarHBondContact SD-CD2 3.48Å; M1-L27 HydrophobicContact SD-CG 3.98Å; M1-I54 HydrophobicContact CE-CD1 4.32Å; M1-M80 HydrophobicContact CE-CE 3.42Å; M1-M80 VanDerWaalsContact CE-CE 3.42Å; M1-M80 HydrophobicContact CG-CE 3.44Å; M1-M80 VanDerWaalsContact CG-CE 3.44Å; M1-M80 HydrophobicContact SD-CE 3.05Å; M1-M80 WeakPolarHBondContact SD-CE 3.48Å; M1-T83 HydrophobicContact CE-CG2 4Å; M1-T83 WeakPolarHBondContact CE-OG1 3.36Å
2Q46.9Very low56Low168 Ų168119.9 Ų119.979%0.78558%0.582SS**PPolyproline II helixtrans-92.6132.1-175.5-148.8167.31.500108.1
3F46.5Very low57.8Low106 Ų106120.5 Ų120.547%0.46558%0.583SS.*PPolyproline II helixtrans-77.9135171.3-81-90.7000108.4F20 H23 L27F3-F20 HydrophobicContact CE1-CD2 4.43Å; F3-F20 HydrophobicContact CE1-CE2 4.11Å; F3-F20 HydrophobicContact CZ-CE2 4.48Å; F3-H23 HydrophobicContact CD1-CB 4.35Å; F3-H23 AromaticContact CD1-ND1 3.81Å; F3-H23 HydrophobicContact CE1-CB 3.78Å; F3-L27 HydrophobicContact CE2-CD1 4.2Å; F3-L27 HydrophobicContact CZ-CD1 3.85Å
4P53.1Low59.3Low29 Ų29116.9 Ų116.919%0.18858%0.583CS.*PPolyproline II helixtrans-84.5150177.77.210.9000110.8L6 H23 S78 N79P4-L6 HydrophobicContact CB-CG 4.23Å; P4-L6 HydrophobicContact CG-CD1 4.5Å; P4-L6 HydrophobicContact CG-CD2 4.43Å; P4-L6 HydrophobicContact CG-CG 4.07Å; P4-L6 PolarHBondContact O-N 3.35Å; P4-H23 VanDerWaalsContact CD-CE1 3.43Å; P4-H23 WeakPolarHBondContact CD-CE1 3.35Å; P4-S78 WeakPolarHBondContact CG-O 3.49Å; P4-N79 HydrophobicContact CB-CB 3.5Å; P4-N79 VanDerWaalsContact CB-CB 3.5Å; P4-N79 HydrophobicContact CG-CB 3.5Å
5D54.6Low60.7Low168 Ų168115.1 Ų115.190%0.89858%0.575SS**  trans-68.386.6158.6-71.7-33.1000107.6F7D5-F7 PolarHBondContact O-N 3.48Å; D5-F7 VanDerWaalsContact O-N 3.13Å
6L51.9Low61.9Low38 Ų38110.9 Ų110.920%0.19956%0.555CS.*  trans-74.5101.5179.4-81.1163.2000107.8P4 H23P4-L6 HydrophobicContact CB-CG 4.23Å; P4-L6 HydrophobicContact CG-CD1 4.5Å; P4-L6 HydrophobicContact CG-CD2 4.43Å; P4-L6 HydrophobicContact CG-CG 4.07Å; P4-L6 PolarHBondContact O-N 3.35Å; L6-H23 WeakPolarHBondContact CD1-CE1 3.2Å
7F51.3Low63.1Low115 Ų115109.5 Ų109.550%0.50455%0.55SS.*  trans85121.4166.6-45.5-73.9000116.4D5 E9 L11 L19D5-F7 PolarHBondContact O-N 3.48Å; D5-F7 VanDerWaalsContact O-N 3.13Å; F7-E9 WeakPolarHBondContact CB-O 3.34Å; F7-E9 PolarHBondContact O-N 3.2Å; F7-L11 HydrophobicContact CD2-CD1 3.31Å; F7-L11 HydrophobicContact CD2-CG 4.03Å; F7-L11 HydrophobicContact CE2-CD1 3.5Å; F7-L11 HydrophobicContact CG-CD1 4.01Å; F7-L11 HydrophobicContact CG-CG 4.32Å; F7-L11 HydrophobicContact CZ-CD1 4.29Å; F7-L19 HydrophobicContact CD2-CD1 4.38Å; F7-L19 HydrophobicContact CE2-CD1 3.68Å
8E52.7Low64.2Low214 Ų214107.3 Ų107.3100%155%0.547SS*.SBendtrans-65.5-22.3167.1-69.9-177.4168.100112
9E56.7Low65.1Low164 Ų164103.9 Ų103.977%0.76653%0.53SS*.SBendtrans-97.8125.6172-103.6-176.316200111F7 L11F7-E9 WeakPolarHBondContact CB-O 3.34Å; F7-E9 PolarHBondContact O-N 3.2Å; E9-L11 PolarHBondContact O-N 3.47Å
10K61.4Low66Low210 Ų210105.2 Ų105.291%0.91353%0.532SS*.  trans-62.299.3175.1-76.2-174.8177.3-179.10110.2
11L69.6Low67Low55 Ų55106.6 Ų106.629%0.28854%0.536SS..  trans-58.2152.6167.4-70175.5000110.4F7 E9 Q13 L15 N16 L19F7-L11 HydrophobicContact CD2-CD1 3.31Å; F7-L11 HydrophobicContact CD2-CG 4.03Å; F7-L11 HydrophobicContact CE2-CD1 3.5Å; F7-L11 HydrophobicContact CG-CD1 4.01Å; F7-L11 HydrophobicContact CG-CG 4.32Å; F7-L11 HydrophobicContact CZ-CD1 4.29Å; E9-L11 PolarHBondContact O-N 3.47Å; L11-Q13 PolarHBondContact O-N 3.24Å; L11-L15 HydrophobicContact CB-CB 4.21Å; L11-N16 PolarHBondContact O-ND2 2.98Å; L11-L19 HydrophobicContact CD1-CD1 3.61Å
12P79.6Confident68.8Low83 Ų83106 Ų10654%0.53953%0.534SS..  trans-49.8139.7169.5-2633.6000111.4A14 L15 N16P12-A14 VanDerWaalsContact C-N 3.26Å; P12-A14 PolarHBondContact O-N 3.36Å; P12-A14 VanDerWaalsContact O-N 3.11Å; P12-L15 HydrophobicContact CB-CD1 4.32Å; P12-L15 HydrophobicContact CG-CD1 3.99Å; P12-L15 WeakPolarHBondContact O-CA 3.38Å; P12-L15 WeakPolarHBondContact O-CB 3.33Å; P12-L15 PolarHBondContact O-N 3.09Å; P12-N16 PolarHBondContact O-N 3.37Å
13Q79.1Confident70.6Confident128 Ų12898.3 Ų98.360%0.59850%0.498SS*.Hα-helixtrans-51.5-43.1-172.8-173.361.541.200113.3L11 L15 N16 D17L11-Q13 PolarHBondContact O-N 3.24Å; Q13-L15 PolarHBondContact O-N 3.46Å; Q13-N16 WeakPolarHBondContact O-CB 3.36Å; Q13-N16 PolarHBondContact O-N 3.34Å; Q13-D17 PolarHBondContact NE2-OD1 3.28Å; Q13-D17 VanDerWaalsContact O-CG 3.31Å; Q13-D17 PolarHBondContact O-N 3.49Å
14A79.3Confident72.7Confident70 Ų7096.2 Ų96.258%0.57950%0.495SS*.Hα-helixtrans-59.2-33.3178.400000113.6P12 S18P12-A14 VanDerWaalsContact C-N 3.26Å; P12-A14 PolarHBondContact O-N 3.36Å; P12-A14 VanDerWaalsContact O-N 3.11Å; A14-S18 WeakPolarHBondContact O-CB 3.34Å; A14-S18 PolarHBondContact O-N 3.43Å; A14-S18 VanDerWaalsContact O-N 3.12Å; A14-S18 PolarHBondContact O-OG 3.49Å
15L80Confident74.5Confident89 Ų8998.3 Ų98.347%0.46650%0.504SS..Hα-helixtrans-71.7-41.9174.4-86.7156.7000111.1L11 P12 Q13 D17 S18 L19L11-L15 HydrophobicContact CB-CB 4.21Å; P12-L15 HydrophobicContact CB-CD1 4.32Å; P12-L15 HydrophobicContact CG-CD1 3.99Å; P12-L15 WeakPolarHBondContact O-CA 3.38Å; P12-L15 WeakPolarHBondContact O-CB 3.33Å; P12-L15 PolarHBondContact O-N 3.09Å; Q13-L15 PolarHBondContact O-N 3.46Å; L15-D17 PolarHBondContact O-N 3.03Å; L15-S18 PolarHBondContact O-N 3.11Å; L15-L19 WeakPolarHBondContact O-CB 3.43Å; L15-L19 VanDerWaalsContact O-CG 3.26Å; L15-L19 WeakPolarHBondContact O-CG 3.48Å; L15-L19 PolarHBondContact O-N 3.08Å
16N79.1Confident76.4Confident48 Ų4891.9 Ų91.926%0.25747%0.467SS..Hα-helixtrans-60.9-43.8174.6-77.1-30.1000111.9L11 P12 Q13 S18 L19 F20L11-N16 PolarHBondContact O-ND2 2.98Å; P12-N16 PolarHBondContact O-N 3.37Å; Q13-N16 WeakPolarHBondContact O-CB 3.36Å; Q13-N16 PolarHBondContact O-N 3.34Å; N16-S18 VanDerWaalsContact C-N 3.34Å; N16-S18 PolarHBondContact O-N 3.06Å; N16-L19 PolarHBondContact O-N 3.36Å; N16-F20 WeakPolarHBondContact O-CB 3.45Å; N16-F20 PolarHBondContact O-N 3.4Å
17D83Confident78.2Confident88 Ų8893.8 Ų93.847%0.47148%0.477SS..Hα-helixtrans-62.7-42.8178.2-62.4-20.9000111Q13 L15 L19 F20 E21Q13-D17 PolarHBondContact NE2-OD1 3.28Å; Q13-D17 VanDerWaalsContact O-CG 3.31Å; Q13-D17 PolarHBondContact O-N 3.49Å; L15-D17 PolarHBondContact O-N 3.03Å; D17-L19 PolarHBondContact O-N 2.92Å; D17-F20 PolarHBondContact O-N 3.13Å; D17-E21 PolarHBondContact O-N 3.38Å
18S83Confident80.2Confident70 Ų7091.4 Ų91.449%0.4948%0.475SS..Hα-helixtrans-63.5-40.4176.9-58.80000112.4A14 L15 N16 E21 L22A14-S18 WeakPolarHBondContact O-CB 3.34Å; A14-S18 PolarHBondContact O-N 3.43Å; A14-S18 VanDerWaalsContact O-N 3.12Å; A14-S18 PolarHBondContact O-OG 3.49Å; L15-S18 PolarHBondContact O-N 3.11Å; N16-S18 VanDerWaalsContact C-N 3.34Å; N16-S18 PolarHBondContact O-N 3.06Å; S18-E21 PolarHBondContact O-N 2.96Å; S18-L22 WeakPolarHBondContact O-CB 3.36Å; S18-L22 PolarHBondContact O-N 3.42Å
19L81.3Confident82.2Confident43 Ų4382.5 Ų82.523%0.22543%0.434CS..Hα-helixtrans-67.4-39.4176.5-72.9166.7000111.7F7 L11 L15 N16 D17 L22 H23F7-L19 HydrophobicContact CD2-CD1 4.38Å; F7-L19 HydrophobicContact CE2-CD1 3.68Å; L11-L19 HydrophobicContact CD1-CD1 3.61Å; L15-L19 WeakPolarHBondContact O-CB 3.43Å; L15-L19 VanDerWaalsContact O-CG 3.26Å; L15-L19 WeakPolarHBondContact O-CG 3.48Å; L15-L19 PolarHBondContact O-N 3.08Å; N16-L19 PolarHBondContact O-N 3.36Å; D17-L19 PolarHBondContact O-N 2.92Å; L19-L22 PolarHBondContact O-N 3.27Å; L19-H23 PolarHBondContact O-N 3.36Å
20F83.7Confident84.1Confident129 Ų12976 Ų7657%0.56641%0.406SS*.Hα-helixtrans-64-42.4175.7-173.7-92.2000111.7F3 N16 D17 H23 T24F3-F20 HydrophobicContact CE1-CD2 4.43Å; F3-F20 HydrophobicContact CE1-CE2 4.11Å; F3-F20 HydrophobicContact CZ-CE2 4.48Å; N16-F20 WeakPolarHBondContact O-CB 3.45Å; N16-F20 PolarHBondContact O-N 3.4Å; D17-F20 PolarHBondContact O-N 3.13Å; F20-H23 PolarHBondContact O-N 3.14Å; F20-T24 PolarHBondContact O-N 3.12Å; F20-T24 PolarHBondContact O-OG1 2.99Å
21E86.5Confident85.8Confident134 Ų13470 Ų7063%0.62638%0.378SS*.Hα-helixtrans-61.5-46.1174.4-169.6175.8-168.200111D17 S18 H23 T24 I25D17-E21 PolarHBondContact O-N 3.38Å; S18-E21 PolarHBondContact O-N 2.96Å; E21-H23 VanDerWaalsContact C-N 3.32Å; E21-H23 PolarHBondContact O-N 3.15Å; E21-T24 WeakPolarHBondContact O-CB 3.16Å; E21-T24 PolarHBondContact O-N 3.06Å; E21-I25 WeakPolarHBondContact O-CG1 3.45Å; E21-I25 PolarHBondContact O-N 2.88Å
22L85.5Confident87Confident76 Ų7673.4 Ų73.440%0.39839%0.39SS..Hα-helixtrans-58.2-42.6175.6-176.466.9000112.3S18 L19 T24 I25 W26S18-L22 WeakPolarHBondContact O-CB 3.36Å; S18-L22 PolarHBondContact O-N 3.42Å; L19-L22 PolarHBondContact O-N 3.27Å; L22-T24 VanDerWaalsContact C-N 3.31Å; L22-T24 PolarHBondContact O-N 2.91Å; L22-I25 WeakPolarHBondContact O-CB 3.27Å; L22-I25 PolarHBondContact O-N 3.14Å; L22-W26 PolarHBondContact O-N 3.24Å
23H85.9Confident87.8Confident7 Ų769.7 Ų69.73%0.03237%0.366CS..Hα-helixtrans-62.9-38.1174.6-84.8-171.3000113F3 P4 L6 L19 F20 E21 I25 W26 L27 S78F3-H23 HydrophobicContact CD1-CB 4.35Å; F3-H23 AromaticContact CD1-ND1 3.81Å; F3-H23 HydrophobicContact CE1-CB 3.78Å; P4-H23 VanDerWaalsContact CD-CE1 3.43Å; P4-H23 WeakPolarHBondContact CD-CE1 3.35Å; L6-H23 WeakPolarHBondContact CD1-CE1 3.2Å; L19-H23 PolarHBondContact O-N 3.36Å; F20-H23 PolarHBondContact O-N 3.14Å; E21-H23 VanDerWaalsContact C-N 3.32Å; E21-H23 PolarHBondContact O-N 3.15Å; H23-I25 VanDerWaalsContact C-N 3.26Å; H23-I25 PolarHBondContact O-N 3.32Å; H23-W26 PolarHBondContact O-N 3.4Å; H23-L27 PolarHBondContact O-N 3.36Å; H23-S78 PolarHBondContact CD2-OG 3.36Å; H23-S78 WeakPolarHBondContact NE2-CB 3.46Å; H23-S78 PolarHBondContact NE2-O 2.93Å; H23-S78 PolarHBondContact NE2-OG 2.9Å
24T88.8Confident88.6Confident63 Ų6371.9 Ų71.939%0.38737%0.368SS..Hα-helixtrans-66-32.5177-54.90000111.4F20 E21 L22 W26 L27 S28F20-T24 PolarHBondContact O-N 3.12Å; F20-T24 PolarHBondContact O-OG1 2.99Å; E21-T24 WeakPolarHBondContact O-CB 3.16Å; E21-T24 PolarHBondContact O-N 3.06Å; L22-T24 VanDerWaalsContact C-N 3.31Å; L22-T24 PolarHBondContact O-N 2.91Å; T24-W26 PolarHBondContact O-N 3Å; T24-L27 WeakPolarHBondContact O-CB 3.43Å; T24-L27 PolarHBondContact O-N 3.06Å; T24-S28 PolarHBondContact O-N 3.32Å; T24-S28 VanDerWaalsContact O-N 3.09Å
25I92.6Very high89.4Confident73 Ų7375 Ų7537%0.37437%0.371SS..Hα-helixtrans-61.8-43.8174.4-67169.1000110.7E21 L22 H23 L27 S28 L29E21-I25 WeakPolarHBondContact O-CG1 3.45Å; E21-I25 PolarHBondContact O-N 2.88Å; L22-I25 WeakPolarHBondContact O-CB 3.27Å; L22-I25 PolarHBondContact O-N 3.14Å; H23-I25 VanDerWaalsContact C-N 3.26Å; H23-I25 PolarHBondContact O-N 3.32Å; I25-L27 VanDerWaalsContact C-N 3.28Å; I25-L27 PolarHBondContact O-N 2.9Å; I25-S28 WeakPolarHBondContact O-CB 2.97Å; I25-S28 PolarHBondContact O-N 3.04Å; I25-S28 PolarHBondContact O-OG 2.97Å; I25-L29 HydrophobicContact CG2-CD1 3.57Å; I25-L29 HydrophobicContact CG2-CG 4.03Å; I25-L29 WeakPolarHBondContact O-CG 3.24Å; I25-L29 PolarHBondContact O-N 3.31Å
26W92.5Very high90.2Very high32 Ų3273.6 Ų73.612%0.12136%0.364CS..Hα-helixtrans-57.5-41.8177.8-64.7131.8000112.7L22 H23 T24 S28 L29 C30 I54 T71 L75 M80L22-W26 PolarHBondContact O-N 3.24Å; H23-W26 PolarHBondContact O-N 3.4Å; T24-W26 PolarHBondContact O-N 3Å; W26-S28 VanDerWaalsContact C-N 3.35Å; W26-S28 PolarHBondContact O-N 2.82Å; W26-L29 PolarHBondContact O-N 3.31Å; W26-C30 PolarHBondContact O-N 2.94Å; W26-C30 VanDerWaalsContact O-N 3.1Å; W26-I54 HydrophobicContact CE3-CG2 3.87Å; W26-I54 HydrophobicContact CZ3-CG2 4.03Å; W26-T71 HydrophobicContact CE3-CG2 4.26Å; W26-T71 HydrophobicContact CH2-CG2 4.19Å; W26-T71 HydrophobicContact CZ3-CG2 3.64Å; W26-L75 HydrophobicContact CB-CD2 4.32Å; W26-L75 HydrophobicContact CD2-CD2 3.94Å; W26-L75 HydrophobicContact CE3-CD2 4.35Å; W26-L75 HydrophobicContact CG-CD2 3.92Å; W26-M80 HydrophobicContact CB-CE 3.8Å; W26-M80 HydrophobicContact CB-SD 4.13Å; W26-M80 HydrophobicContact CG-CE 4.28Å; W26-M80 HydrophobicContact CG-SD 3.95Å
27L90.1Very high91Very high78 Ų7871.8 Ų71.841%0.40836%0.355SS..Hα-helixtrans-60.9-45174.6-71.3167000111.4M1 F3 H23 T24 I25 L29 C30M1-L27 HydrophobicContact CB-CD2 3.99Å; M1-L27 HydrophobicContact CG-CD2 4.32Å; M1-L27 HydrophobicContact SD-CD2 3.35Å; M1-L27 WeakPolarHBondContact SD-CD2 3.48Å; M1-L27 HydrophobicContact SD-CG 3.98Å; F3-L27 HydrophobicContact CE2-CD1 4.2Å; F3-L27 HydrophobicContact CZ-CD1 3.85Å; H23-L27 PolarHBondContact O-N 3.36Å; T24-L27 WeakPolarHBondContact O-CB 3.43Å; T24-L27 PolarHBondContact O-N 3.06Å; I25-L27 VanDerWaalsContact C-N 3.28Å; I25-L27 PolarHBondContact O-N 2.9Å; L27-L29 PolarHBondContact O-N 3.04Å; L27-C30 PolarHBondContact O-N 3.37Å
28S93.3Very high91.5Very high66 Ų6668.6 Ų68.646%0.46234%0.342SS..Hα-helixtrans-65.8-26.1179.982.80000113.6T24 I25 W26 R31T24-S28 PolarHBondContact O-N 3.32Å; T24-S28 VanDerWaalsContact O-N 3.09Å; I25-S28 WeakPolarHBondContact O-CB 2.97Å; I25-S28 PolarHBondContact O-N 3.04Å; I25-S28 PolarHBondContact O-OG 2.97Å; W26-S28 VanDerWaalsContact C-N 3.35Å; W26-S28 PolarHBondContact O-N 2.82Å; S28-R31 PolarHBondContact O-NH1 3.16Å; S28-R31 PolarHBondContact O-NH2 3.18Å
29L96.2Very high92Very high27 Ų2768.8 Ų68.814%0.14135%0.348CS..Hα-helixtrans-94.2-7.2-179.2-65179000113.1I25 W26 L27 I54 I55 G57I25-L29 HydrophobicContact CG2-CD1 3.57Å; I25-L29 HydrophobicContact CG2-CG 4.03Å; I25-L29 WeakPolarHBondContact O-CG 3.24Å; I25-L29 PolarHBondContact O-N 3.31Å; W26-L29 PolarHBondContact O-N 3.31Å; L27-L29 PolarHBondContact O-N 3.04Å; L29-I54 HydrophobicContact CB-CG2 3.66Å; L29-I54 HydrophobicContact CD1-CG2 4.38Å; L29-I55 HydrophobicContact CB-CG1 4.3Å; L29-I55 HydrophobicContact CD2-CD1 4.42Å; L29-I55 HydrophobicContact CD2-CG1 4.19Å; L29-I55 WeakPolarHBondContact O-CG1 3.25Å; L29-I55 PolarHBondContact O-N 2.96Å; L29-G57 VanDerWaalsContact CD2-CA 3.41Å
30C95.6Very high92.7Very high27 Ų2769.8 Ų69.818%0.18235%0.354CS..EExtended strand (participates in β ladder)trans-70.8134.1177.5-173.20000111.6W26 L27 Q52 F53 I54W26-C30 PolarHBondContact O-N 2.94Å; W26-C30 VanDerWaalsContact O-N 3.1Å; L27-C30 PolarHBondContact O-N 3.37Å; C30-Q52 PolarHBondContact SG-OE1 2.99Å; C30-F53 CarbonylContact C-O 3.56Å; C30-F53 WeakPolarHBondContact CA-O 3.43Å; C30-I54 HydrophobicContact CB-CD1 3.73Å
31R96.2Very high93.1Very high85 Ų8568.3 Ų68.332%0.32135%0.347SS..EExtended strand (participates in β ladder)trans-131.5147.9177.7-63.3-65.4177.2-850.3109.9S28 Q52 F53 I55S28-R31 PolarHBondContact O-NH1 3.16Å; S28-R31 PolarHBondContact O-NH2 3.18Å; R31-Q52 CarbonylContact O-C 3.47Å; R31-Q52 VanDerWaalsContact O-CA 3.27Å; R31-Q52 WeakPolarHBondContact O-CA 3.46Å; R31-F53 HydrophobicContact CB-CE1 4.09Å; R31-F53 HydrophobicContact CB-CE2 4.06Å; R31-F53 HydrophobicContact CB-CZ 3.79Å; R31-F53 PolarHBondContact N-O 3.43Å; R31-F53 PolarHBondContact O-N 3.24Å; R31-I55 HydrophobicContact CB-CG2 4.41Å; R31-I55 HydrophobicContact CG-CD1 4.34Å; R31-I55 HydrophobicContact CG-CG1 4.11Å; R31-I55 HydrophobicContact CG-CG2 3.78Å
32K96.3Very high93.4Very high125 Ų12568.8 Ų68.854%0.54335%0.349SS..  trans-121.4128.3167.3-168.4176.3174.7-176.30107.4R34 Q52K32-R34 PolarHBondContact O-N 3.2Å; K32-Q52 HydrophobicContact CB-CG 4.03Å; K32-Q52 HydrophobicContact CD-CG 4.37Å; K32-Q52 HydrophobicContact CG-CG 4.18Å
33V96.6Very high93.8Very high5 Ų571.5 Ų71.53%0.0336%0.364CS..  trans-70.5133170.7-1690000108.1V37 L46 Y48 V49 F53V33-V37 HydrophobicContact CG1-CB 3.64Å; V33-V37 HydrophobicContact CG1-CG1 3.78Å; V33-V37 HydrophobicContact CG1-CG2 3.83Å; V33-L46 HydrophobicContact CG1-CD2 3.84Å; V33-L46 HydrophobicContact CG2-CD2 4.17Å; V33-Y48 HydrophobicContact CB-CD2 4.21Å; V33-Y48 HydrophobicContact CG1-CD2 3.95Å; V33-V49 HydrophobicContact CG2-CG2 3.7Å; V33-F53 HydrophobicContact CG2-CE1 3.58Å; V33-F53 HydrophobicContact CG2-CZ 4.16Å
34R96.1Very high94.3Very high174 Ų17473.6 Ų73.666%0.65738%0.375SS*.  trans-67.8146.1175.2-66.4165.245.7150.8-2109.9K32 D36 V37K32-R34 PolarHBondContact O-N 3.2Å; R34-D36 WeakPolarHBondContact CB-OD1 2.97Å; R34-D36 IonicContact CZ-OD1 3.67Å; R34-D36 IonicContact CZ-OD2 3.37Å; R34-D36 IonicContact NE-OD1 2.9Å; R34-D36 PolarHBondContact NE-OD1 2.71Å; R34-D36 IonicContact NE-OD2 3.39Å; R34-D36 PolarHBondContact NE-OD2 3.37Å; R34-D36 IonicContact NH2-OD1 3.6Å; R34-D36 IonicContact NH2-OD2 2.71Å; R34-D36 PolarHBondContact NH2-OD2 3.36Å; R34-D36 PolarHBondContact O-N 3.13Å; R34-V37 HydrophobicContact CB-CG2 4.46Å; R34-V37 WeakPolarHBondContact O-CB 3.22Å; R34-V37 PolarHBondContact O-N 2.87Å
35E95.8Very high94.6Very high137 Ų13773.8 Ų73.864%0.6438%0.379SS*.Hα-helixtrans-63.7-28.2-177.8-69.6171.8-169.400113V37 G38 A39E35-V37 PolarHBondContact O-N 2.88Å; E35-G38 WeakPolarHBondContact O-CA 3.35Å; E35-G38 PolarHBondContact O-N 3.21Å; E35-A39 PolarHBondContact O-N 3.46Å; E35-A39 VanDerWaalsContact O-N 3.1Å
36D95.6Very high94.8Very high58 Ų5872.1 Ų72.131%0.3137%0.371SS..Hα-helixtrans-64.1-26.2176.868.2-42.5000113.6R34 G38 A39 N40R34-D36 WeakPolarHBondContact CB-OD1 2.97Å; R34-D36 IonicContact CZ-OD1 3.67Å; R34-D36 IonicContact CZ-OD2 3.37Å; R34-D36 IonicContact NE-OD1 2.9Å; R34-D36 PolarHBondContact NE-OD1 2.71Å; R34-D36 IonicContact NE-OD2 3.39Å; R34-D36 PolarHBondContact NE-OD2 3.37Å; R34-D36 IonicContact NH2-OD1 3.6Å; R34-D36 IonicContact NH2-OD2 2.71Å; R34-D36 PolarHBondContact NH2-OD2 3.36Å; R34-D36 PolarHBondContact O-N 3.13Å; D36-G38 VanDerWaalsContact C-N 3.28Å; D36-A39 PolarHBondContact O-N 3.02Å; D36-N40 PolarHBondContact O-N 3.27Å; D36-N40 PolarHBondContact O-ND2 3.38Å
37V95.5Very high95Very high11 Ų1171.2 Ų71.27%0.06737%0.368CS..Hα-helixtrans-65.6-35.5170.9178.40000110.5V33 R34 E35 N44 L46V33-V37 HydrophobicContact CG1-CB 3.64Å; V33-V37 HydrophobicContact CG1-CG1 3.78Å; V33-V37 HydrophobicContact CG1-CG2 3.83Å; R34-V37 HydrophobicContact CB-CG2 4.46Å; R34-V37 WeakPolarHBondContact O-CB 3.22Å; R34-V37 PolarHBondContact O-N 2.87Å; E35-V37 PolarHBondContact O-N 2.88Å; V37-N44 HydrophobicContact CG1-CB 3.9Å; V37-L46 HydrophobicContact CG1-CB 4.41Å; V37-L46 VanDerWaalsContact CG1-O 3.25Å; V37-L46 WeakPolarHBondContact CG1-O 3Å
38G93.6Very high95.4Very high20 Ų2070 Ų7021%0.20636%0.358CS..Hα-helixtrans-72.8-32.9175.400000113.1E35 D36 K41E35-G38 WeakPolarHBondContact O-CA 3.35Å; E35-G38 PolarHBondContact O-N 3.21Å; D36-G38 VanDerWaalsContact C-N 3.28Å; G38-K41 WeakPolarHBondContact O-CE 3.41Å; G38-K41 VanDerWaalsContact O-CG 3.31Å; G38-K41 WeakPolarHBondContact O-CG 3.28Å
39A94.6Very high95.6Very high74 Ų7466.8 Ų66.861%0.61234%0.336SS*.Hα-helixtrans-77.9-32.8177.500000113.4E35 D36E35-A39 PolarHBondContact O-N 3.46Å; E35-A39 VanDerWaalsContact O-N 3.1Å; D36-A39 PolarHBondContact O-N 3.02Å
40N95.1Very high95.7Very high65 Ų6567.6 Ų67.635%0.34834%0.343SS..  trans-120.858.4-176.5-52.4-77.9000110.8D36 E42 L43 N44D36-N40 PolarHBondContact O-N 3.27Å; D36-N40 PolarHBondContact O-ND2 3.38Å; N40-E42 VanDerWaalsContact C-N 3.28Å; N40-E42 WeakPolarHBondContact CA-OE1 3.41Å; N40-E42 PolarHBondContact O-N 2.99Å; N40-L43 HydrophobicContact CB-CB 4.28Å; N40-L43 HydrophobicContact CB-CD1 4.13Å; N40-L43 HydrophobicContact CB-CG 4.35Å; N40-L43 PolarHBondContact O-N 3.32Å; N40-L43 VanDerWaalsContact O-N 3.14Å; N40-N44 PolarHBondContact O-ND2 3.05Å
41K92.5Very high95.7Very high98 Ų9869.7 Ų69.743%0.42635%0.35SS..G310 helixtrans-61.9-37.6-171.4-63.7-178.9-175.71760111.8G38 L43 N44G38-K41 WeakPolarHBondContact O-CE 3.41Å; G38-K41 VanDerWaalsContact O-CG 3.31Å; G38-K41 WeakPolarHBondContact O-CG 3.28Å; K41-L43 PolarHBondContact O-N 2.88Å; K41-N44 PolarHBondContact O-N 3.35Å; K41-N44 VanDerWaalsContact O-N 3.16Å
42E92.7Very high95.8Very high144 Ų14470.5 Ų70.567%0.67336%0.357SS*.G310 helixtrans-65.6-22.6178.665.2-65.3147.500114N40N40-E42 VanDerWaalsContact C-N 3.28Å; N40-E42 WeakPolarHBondContact CA-OE1 3.41Å; N40-E42 PolarHBondContact O-N 2.99Å
43L94.9Very high95.8Very high133 Ų13364.8 Ų64.870%0.69633%0.332SS*.G310 helixtrans-91.5-4.1176.8-58.2-176.7000112.9N40 K41N40-L43 HydrophobicContact CB-CB 4.28Å; N40-L43 HydrophobicContact CB-CD1 4.13Å; N40-L43 HydrophobicContact CB-CG 4.35Å; N40-L43 PolarHBondContact O-N 3.32Å; N40-L43 VanDerWaalsContact O-N 3.14Å; K41-L43 PolarHBondContact O-N 2.88Å
44N95.3Very high95.8Very high51 Ų5164.7 Ų64.727%0.27333%0.332SS..  trans-124.6133.3-172.5-74.6-82.1000112.1V37 N40 K41 L46V37-N44 HydrophobicContact CG1-CB 3.9Å; N40-N44 PolarHBondContact O-ND2 3.05Å; K41-N44 PolarHBondContact O-N 3.35Å; K41-N44 VanDerWaalsContact O-N 3.16Å; N44-L46 VanDerWaalsContact C-N 3.35Å
45S95.8Very high95.8Very high66 Ų6656.4 Ų56.446%0.46230%0.301SS..SBendtrans-79.3-20.1169.864.50000112.9R106 V107S45-R106 CarbonylContact O-C 3.56Å; S45-R106 WeakPolarHBondContact O-CA 3.41Å; S45-R106 WeakPolarHBondContact O-CB 3.42Å; S45-R106 PolarHBondContact OG-NH1 3.02Å; S45-V107 PolarHBondContact O-N 3.21Å
46L97Very high95.8Very high39 Ų3952.2 Ų52.220%0.20429%0.285CS..BIsolated β-bridgetrans-80.7131.4178.6-17772.7000109.6V33 V37 N44 E62 G105V33-L46 HydrophobicContact CG1-CD2 3.84Å; V33-L46 HydrophobicContact CG2-CD2 4.17Å; V37-L46 HydrophobicContact CG1-CB 4.41Å; V37-L46 VanDerWaalsContact CG1-O 3.25Å; V37-L46 WeakPolarHBondContact CG1-O 3Å; N44-L46 VanDerWaalsContact C-N 3.35Å; L46-E62 HydrophobicContact CD1-CB 3.66Å; L46-G105 WeakPolarHBondContact CA-O 3.32Å; L46-G105 WeakPolarHBondContact CD1-O 3.48Å
47L97.2Very high95.7Very high13 Ų1349.8 Ų49.87%0.06827%0.274CS..PPolyproline II helixtrans-76.2131.7173.9-59.8178.2000109.7I94 P102 G105 V107 L110L47-I94 HydrophobicContact CB-CD1 4.08Å; L47-I94 HydrophobicContact CD1-CD1 4.2Å; L47-P102 HydrophobicContact CD1-CG 4.08Å; L47-G105 PolarHBondContact N-O 3.33Å; L47-V107 HydrophobicContact CD2-CG2 3.83Å; L47-L110 HydrophobicContact CD1-CD2 3.83Å; L47-L110 HydrophobicContact CD1-CG 4.46Å; L47-L110 HydrophobicContact CD2-CD1 4.27Å
48Y97.9Very high95.5Very high51 Ų5154.5 Ų54.520%0.231%0.307CS..PPolyproline II helixtrans-68.3139.8173.7177.8-97.8000111.1V33 P50 Y93V33-Y48 HydrophobicContact CB-CD2 4.21Å; V33-Y48 HydrophobicContact CG1-CD2 3.95Å; Y48-P50 HydrophobicContact CE1-CB 4.44Å; Y48-Y93 HydrophobicContact CD1-CE1 4.19Å; Y48-Y93 VanDerWaalsContact O-CE1 3.28Å; Y48-Y93 WeakPolarHBondContact O-CE1 3.29Å
49V97.6Very high95.5Very high0 Ų063 Ų630%033%0.333CS..  trans-140.1144.1167.7-67.30000109.4V33 F53 F63 N90 Y93 I94V33-V49 HydrophobicContact CG2-CG2 3.7Å; V49-F53 HydrophobicContact CG2-CD1 3.85Å; V49-F53 HydrophobicContact CG2-CE1 3.96Å; V49-F63 HydrophobicContact CG1-CD1 4.33Å; V49-F63 HydrophobicContact CG1-CE1 3.67Å; V49-F63 HydrophobicContact CG1-CZ 4.38Å; V49-N90 HydrophobicContact CB-CB 3.91Å; V49-N90 HydrophobicContact CG1-CB 4.09Å; V49-N90 HydrophobicContact CG2-CB 4.34Å; V49-Y93 HydrophobicContact CG1-CD1 4.41Å; V49-I94 HydrophobicContact CG1-CD1 3.75Å; V49-I94 HydrophobicContact CG1-CG1 3.7Å
50P97Very high95.5Very high43 Ų4362.3 Ų62.328%0.27932%0.317SS..SBendtrans-75.6-28.9-169.526.5-34.3000114.8Y48 N90 Y93Y48-P50 HydrophobicContact CE1-CB 4.44Å; P50-N90 VanDerWaalsContact CD-OD1 3.29Å; P50-N90 WeakPolarHBondContact CD-OD1 3.4Å; P50-Y93 HydrophobicContact CG-CD2 4.3Å; P50-Y93 HydrophobicContact CG-CG 4.23Å
51H97.3Very high95.4Very high72 Ų7265.8 Ų65.833%0.33333%0.325SS..SBendtrans-104.9164.3-175.8-52.2-70.3000112.6G86 N90H51-G86 WeakPolarHBondContact CB-O 3.36Å; H51-N90 WeakPolarHBondContact CA-OD1 3.4Å; H51-N90 VanDerWaalsContact CB-OD1 3.27Å; H51-N90 WeakPolarHBondContact CB-OD1 3.22Å; H51-N90 PolarHBondContact CD2-OD1 3.13Å; H51-N90 PolarHBondContact N-OD1 3.48Å; H51-N90 PolarHBondContact O-ND2 3.33Å
52Q96.7Very high95.6Very high102 Ų10261.6 Ų61.648%0.47731%0.306SS..  trans-65.1152.3170.4-64.1-179.6-0.800111.1C30 R31 K32C30-Q52 PolarHBondContact SG-OE1 2.99Å; R31-Q52 CarbonylContact O-C 3.47Å; R31-Q52 VanDerWaalsContact O-CA 3.27Å; R31-Q52 WeakPolarHBondContact O-CA 3.46Å; K32-Q52 HydrophobicContact CB-CG 4.03Å; K32-Q52 HydrophobicContact CD-CG 4.37Å; K32-Q52 HydrophobicContact CG-CG 4.18Å
53F96.9Very high95.8Very high5 Ų555 Ų552%0.02228%0.275CS..EExtended strand (participates in β ladder)trans-147.2160.517762.8-81.3000111.1C30 R31 V33 V49 I55 F63 M87C30-F53 CarbonylContact C-O 3.56Å; C30-F53 WeakPolarHBondContact CA-O 3.43Å; R31-F53 HydrophobicContact CB-CE1 4.09Å; R31-F53 HydrophobicContact CB-CE2 4.06Å; R31-F53 HydrophobicContact CB-CZ 3.79Å; R31-F53 PolarHBondContact N-O 3.43Å; R31-F53 PolarHBondContact O-N 3.24Å; V33-F53 HydrophobicContact CG2-CE1 3.58Å; V33-F53 HydrophobicContact CG2-CZ 4.16Å; V49-F53 HydrophobicContact CG2-CD1 3.85Å; V49-F53 HydrophobicContact CG2-CE1 3.96Å; F53-I55 HydrophobicContact CD2-CG2 4.08Å; F53-I55 HydrophobicContact CE2-CG2 3.54Å; F53-F63 HydrophobicContact CD2-CB 3.67Å; F53-F63 HydrophobicContact CE2-CB 4Å; F53-F63 VanDerWaalsContact CE2-N 3.29Å; F53-F63 HydrophobicContact CG-CB 4.31Å; F53-M87 HydrophobicContact CB-CG 4.14Å
54I96.7Very high95.9Very high2 Ų249.9 Ų49.91%0.0125%0.247CC..EExtended strand (participates in β ladder)trans-96.8133.4175.5-53.5-54000109.6M1 W26 L29 C30 T71 L75 M87M1-I54 HydrophobicContact CE-CD1 4.32Å; W26-I54 HydrophobicContact CE3-CG2 3.87Å; W26-I54 HydrophobicContact CZ3-CG2 4.03Å; L29-I54 HydrophobicContact CB-CG2 3.66Å; L29-I54 HydrophobicContact CD1-CG2 4.38Å; C30-I54 HydrophobicContact CB-CD1 3.73Å; I54-T71 HydrophobicContact CB-CG2 3.5Å; I54-T71 VanDerWaalsContact CB-CG2 3.5Å; I54-T71 HydrophobicContact CG1-CG2 3.82Å; I54-T71 HydrophobicContact CG2-CG2 3.64Å; I54-L75 HydrophobicContact CG1-CD1 4.06Å; I54-M87 HydrophobicContact CB-CE 4.03Å; I54-M87 HydrophobicContact CB-SD 4.33Å; I54-M87 HydrophobicContact CG1-CE 4.29Å; I54-M87 HydrophobicContact CG1-SD 3.92Å
55I97.1Very high95.9Very high1 Ų147.7 Ų47.71%0.00524%0.235CC..  trans-91.3156171.955155.7000111.2L29 R31 F53 G57 F60 E62L29-I55 HydrophobicContact CB-CG1 4.3Å; L29-I55 HydrophobicContact CD2-CD1 4.42Å; L29-I55 HydrophobicContact CD2-CG1 4.19Å; L29-I55 WeakPolarHBondContact O-CG1 3.25Å; L29-I55 PolarHBondContact O-N 2.96Å; R31-I55 HydrophobicContact CB-CG2 4.41Å; R31-I55 HydrophobicContact CG-CD1 4.34Å; R31-I55 HydrophobicContact CG-CG1 4.11Å; R31-I55 HydrophobicContact CG-CG2 3.78Å; F53-I55 HydrophobicContact CD2-CG2 4.08Å; F53-I55 HydrophobicContact CE2-CG2 3.54Å; I55-G57 PolarHBondContact O-N 3.48Å; I55-F60 WeakPolarHBondContact CD1-O 3.37Å; I55-E62 WeakPolarHBondContact CG2-O 3.29Å
56P95Very high95.9Very high48 Ų4850 Ų5031%0.31223%0.234SC..  trans-61.3-25.8174.6-23.733.9000113.9F60 Y64 D67P56-F60 HydrophobicContact CB-CD2 4.01Å; P56-F60 HydrophobicContact CG-CB 4.44Å; P56-Y64 HydrophobicContact CG-CD2 3.87Å; P56-Y64 HydrophobicContact CG-CG 4.41Å; P56-D67 HydrophobicContact CG-CB 4.1Å
57G93.3Very high95.9Very high8 Ų850.5 Ų50.58%0.08224%0.237CC..SBendtrans110.5-173.8177.800000114.3L29 I55 R59 F60L29-G57 VanDerWaalsContact CD2-CA 3.41Å; I55-G57 PolarHBondContact O-N 3.48Å; G57-R59 PolarHBondContact O-N 3.37Å; G57-F60 WeakPolarHBondContact O-CB 3.27Å; G57-F60 VanDerWaalsContact O-CD2 3.24Å; G57-F60 WeakPolarHBondContact O-CD2 3.49Å; G57-F60 PolarHBondContact O-N 3.28Å; G57-F60 VanDerWaalsContact O-N 3.1Å
58S91.3Very high96Very high109 Ų10950 Ų5076%0.76224%0.235SC*.THydrogen-bonded Turntrans53.7-125.1-179.3-175.50000112.5F60 R61S58-F60 VanDerWaalsContact C-N 3.29Å; S58-F60 PolarHBondContact O-N 2.98Å; S58-R61 PolarHBondContact O-NH1 3.45Å
59R93.7Very high95.9Very high198 Ų19848.2 Ų48.275%0.74723%0.227SC*.THydrogen-bonded Turntrans-72.2-15.7-179.468.5176.5-176.3142.1-1114.5G57G57-R59 PolarHBondContact O-N 3.37Å
60F93.9Very high95.9Very high61 Ų6155.7 Ų55.727%0.26826%0.256SS..  trans-76.3132-178.8-56.2-65.1000109.5I55 P56 G57 S58 Y64I55-F60 WeakPolarHBondContact CD1-O 3.37Å; P56-F60 HydrophobicContact CB-CD2 4.01Å; P56-F60 HydrophobicContact CG-CB 4.44Å; G57-F60 WeakPolarHBondContact O-CB 3.27Å; G57-F60 VanDerWaalsContact O-CD2 3.24Å; G57-F60 WeakPolarHBondContact O-CD2 3.49Å; G57-F60 PolarHBondContact O-N 3.28Å; G57-F60 VanDerWaalsContact O-N 3.1Å; S58-F60 VanDerWaalsContact C-N 3.29Å; S58-F60 PolarHBondContact O-N 2.98Å; F60-Y64 HydrophobicContact CB-CE2 3.95Å; F60-Y64 HydrophobicContact CD1-CD2 4.47Å; F60-Y64 AromaticContact CD1-CE2 3.47Å; F60-Y64 HydrophobicContact CD1-CE2 3.47Å; F60-Y64 VanDerWaalsContact CD1-CE2 3.47Å; F60-Y64 AromaticContact CD1-CZ 3.64Å; F60-Y64 WeakPolarHBondContact CD1-OH 3.46Å; F60-Y64 HydrophobicContact CE1-CE2 4.23Å; F60-Y64 AromaticContact CG-CE2 3.93Å; F60-Y64 HydrophobicContact CG-CE2 3.93Å
61R93.9Very high95.9Very high138 Ų13854.4 Ų54.452%0.52125%0.247SC..  trans-126.38.7-176.7-60.3-62.8-169.8-137.53.8112.6S58S58-R61 PolarHBondContact O-NH1 3.45Å
62E95.9Very high95.9Very high9 Ų951 Ų514%0.04223%0.231CC..SBendtrans-134.4161.4-173.660.2-88.9-152.400109.7L46 I55 Y64 R106L46-E62 HydrophobicContact CD1-CB 3.66Å; I55-E62 WeakPolarHBondContact CG2-O 3.29Å; E62-Y64 HydrophobicContact CG-CD2 4.26Å; E62-Y64 HydrophobicContact CG-CE2 3.69Å; E62-Y64 PolarHBondContact OE1-OH 2.68Å; E62-R106 HydrophobicContact CB-CG 4.44Å; E62-R106 HydrophobicContact CG-CG 4.15Å; E62-R106 WeakPolarHBondContact OE1-CD 3.49Å; E62-R106 IonicContact OE1-CZ 3.8Å; E62-R106 IonicContact OE1-NE 2.85Å; E62-R106 PolarHBondContact OE1-NE 3.49Å; E62-R106 IonicContact OE1-NH2 3.85Å; E62-R106 IonicContact OE2-CZ 3.35Å; E62-R106 IonicContact OE2-NE 3.17Å; E62-R106 PolarHBondContact OE2-NE 2.95Å; E62-R106 VanDerWaalsContact OE2-NE 3.17Å; E62-R106 IonicContact OE2-NH2 2.75Å; E62-R106 PolarHBondContact OE2-NH2 3.38Å
63F96.7Very high95.8Very high5 Ų550 Ų502%0.02223%0.226CC..  trans-68.1150.8171.665.9-96000109.9V49 F53 L91 I94 G104 G105V49-F63 HydrophobicContact CG1-CD1 4.33Å; V49-F63 HydrophobicContact CG1-CE1 3.67Å; V49-F63 HydrophobicContact CG1-CZ 4.38Å; F53-F63 HydrophobicContact CD2-CB 3.67Å; F53-F63 HydrophobicContact CE2-CB 4Å; F53-F63 VanDerWaalsContact CE2-N 3.29Å; F53-F63 HydrophobicContact CG-CB 4.31Å; F63-L91 HydrophobicContact CD2-CD2 4.31Å; F63-L91 HydrophobicContact CE2-CD2 4.35Å; F63-I94 HydrophobicContact CE1-CD1 4.32Å; F63-I94 HydrophobicContact CE1-CG1 4.32Å; F63-I94 HydrophobicContact CZ-CD1 3.9Å; F63-I94 HydrophobicContact CZ-CG1 3.75Å; F63-G104 CarbonylContact O-C 3.47Å; F63-G104 WeakPolarHBondContact O-CA 3.5Å; F63-G105 PolarHBondContact O-N 3.4Å
64Y97.2Very high95.7Very high27 Ų2750.8 Ų50.811%0.10624%0.235CC..BIsolated β-bridgetrans-125.5135.1170.3-80.1-94000109P56 F60 E62 D67 T68 N103 F109P56-Y64 HydrophobicContact CG-CD2 3.87Å; P56-Y64 HydrophobicContact CG-CG 4.41Å; F60-Y64 HydrophobicContact CB-CE2 3.95Å; F60-Y64 HydrophobicContact CD1-CD2 4.47Å; F60-Y64 AromaticContact CD1-CE2 3.47Å; F60-Y64 HydrophobicContact CD1-CE2 3.47Å; F60-Y64 VanDerWaalsContact CD1-CE2 3.47Å; F60-Y64 AromaticContact CD1-CZ 3.64Å; F60-Y64 WeakPolarHBondContact CD1-OH 3.46Å; F60-Y64 HydrophobicContact CE1-CE2 4.23Å; F60-Y64 AromaticContact CG-CE2 3.93Å; F60-Y64 HydrophobicContact CG-CE2 3.93Å; E62-Y64 HydrophobicContact CG-CD2 4.26Å; E62-Y64 HydrophobicContact CG-CE2 3.69Å; E62-Y64 PolarHBondContact OE1-OH 2.68Å; Y64-D67 WeakPolarHBondContact CB-OD2 3.31Å; Y64-T68 WeakPolarHBondContact O-CB 3.43Å; Y64-T68 PolarHBondContact O-N 3.5Å; Y64-T68 PolarHBondContact O-OG1 3.15Å; Y64-N103 WeakPolarHBondContact CA-O 3.4Å; Y64-N103 VanDerWaalsContact CD1-OD1 3.31Å; Y64-N103 WeakPolarHBondContact CD1-OD1 3.38Å; Y64-F109 HydrophobicContact CE1-CE2 4.26Å; Y64-F109 HydrophobicContact CE1-CZ 4.46Å
65Y96.4Very high95.6Very high4 Ų450.7 Ų50.72%0.01623%0.234CC..Hα-helixtrans-64.7-58.6-164.1176.1-157.5000112.4D67 T68 L91 I101 P102 N103 Q114 P115 P116 L117 F118 M121Y65-D67 VanDerWaalsContact C-N 3.34Å; Y65-D67 PolarHBondContact O-N 3.48Å; Y65-T68 VanDerWaalsContact O-CB 3.32Å; Y65-T68 WeakPolarHBondContact O-CB 3.47Å; Y65-T68 PolarHBondContact O-N 3.09Å; Y65-L91 HydrophobicContact CD2-CD1 4.07Å; Y65-L91 HydrophobicContact CD2-CD2 4.43Å; Y65-L91 HydrophobicContact CE2-CD1 4.13Å; Y65-I101 HydrophobicContact CD1-CB 3.78Å; Y65-I101 HydrophobicContact CD1-CG2 3.6Å; Y65-I101 HydrophobicContact CD2-CB 4.25Å; Y65-I101 HydrophobicContact CD2-CD1 4.12Å; Y65-I101 HydrophobicContact CD2-CG2 3.56Å; Y65-I101 HydrophobicContact CE1-CB 3.79Å; Y65-I101 HydrophobicContact CE1-CD1 4.15Å; Y65-I101 HydrophobicContact CE1-CG2 4.06Å; Y65-I101 HydrophobicContact CE2-CB 4.27Å; Y65-I101 HydrophobicContact CE2-CD1 3.49Å; Y65-I101 VanDerWaalsContact CE2-CD1 3.49Å; Y65-I101 HydrophobicContact CE2-CG1 4.46Å; Y65-I101 HydrophobicContact CE2-CG2 4.04Å; Y65-I101 HydrophobicContact CG-CB 4.03Å; Y65-I101 HydrophobicContact CG-CG2 3.34Å; Y65-I101 VanDerWaalsContact CZ-CD1 3.5Å; Y65-P102 WeakPolarHBondContact CB-O 3.46Å; Y65-N103 PolarHBondContact N-O 3.03Å; Y65-Q114 HydrophobicContact CD1-CB 3.9Å; Y65-Q114 HydrophobicContact CG-CB 4.43Å; Y65-P115 WeakPolarHBondContact CE1-O 3.48Å; Y65-P116 WeakPolarHBondContact OH-CA 3.27Å; Y65-L117 PolarHBondContact OH-N 3.36Å; Y65-L117 VanDerWaalsContact OH-N 3.1Å; Y65-F118 HydrophobicContact CE2-CB 4.17Å; Y65-F118 VanDerWaalsContact OH-CB 3.3Å; Y65-F118 WeakPolarHBondContact OH-CB 3.23Å; Y65-F118 PolarHBondContact OH-N 3.42Å; Y65-M121 HydrophobicContact CD2-CE 3.83Å; Y65-M121 HydrophobicContact CE2-CE 3.72Å; Y65-M121 VanDerWaalsContact O-CE 3.25Å; Y65-M121 WeakPolarHBondContact O-CE 3.42Å
66W96Very high95.4Very high116 Ų11651.2 Ų51.244%0.43924%0.237SC..Hα-helixtrans-71.1-28.4-178.977.1-30.5000113.1T68 F69 Q114 P115 L117W66-T68 VanDerWaalsContact C-N 3.28Å; W66-T68 PolarHBondContact O-N 2.85Å; W66-F69 WeakPolarHBondContact O-CB 3.2Å; W66-F69 PolarHBondContact O-N 3.25Å; W66-Q114 HydrophobicContact CB-CB 4.34Å; W66-Q114 VanDerWaalsContact NE1-NE2 3.17Å; W66-P115 HydrophobicContact CE3-CG 4.48Å; W66-L117 HydrophobicContact CB-CD1 4.02Å
67D97.1Very high95.2Very high48 Ų4852.6 Ų52.626%0.25725%0.253SS..Hα-helixtrans-62.4-39.8174.7-63.7-107.4000110.4P56 Y64 Y65 F69 W70 T71P56-D67 HydrophobicContact CG-CB 4.1Å; Y64-D67 WeakPolarHBondContact CB-OD2 3.31Å; Y65-D67 VanDerWaalsContact C-N 3.34Å; Y65-D67 PolarHBondContact O-N 3.48Å; D67-F69 PolarHBondContact O-N 2.89Å; D67-F69 VanDerWaalsContact O-N 3.1Å; D67-W70 PolarHBondContact O-N 3.29Å; D67-T71 PolarHBondContact O-N 3.37Å; D67-T71 PolarHBondContact O-OG1 3.33Å; D67-T71 VanDerWaalsContact O-OG1 3.13Å
68T97.4Very high94.9Very high4 Ų452.7 Ų52.73%0.02525%0.252CS..Hα-helixtrans-54.5-32.1177.3-630000111.9Y64 Y65 W66 T71 I72 M87 L91 M121Y64-T68 WeakPolarHBondContact O-CB 3.43Å; Y64-T68 PolarHBondContact O-N 3.5Å; Y64-T68 PolarHBondContact O-OG1 3.15Å; Y65-T68 VanDerWaalsContact O-CB 3.32Å; Y65-T68 WeakPolarHBondContact O-CB 3.47Å; Y65-T68 PolarHBondContact O-N 3.09Å; W66-T68 VanDerWaalsContact C-N 3.28Å; W66-T68 PolarHBondContact O-N 2.85Å; T68-T71 PolarHBondContact O-N 3.05Å; T68-I72 HydrophobicContact CG2-CD1 3.78Å; T68-I72 HydrophobicContact CG2-CG1 4.26Å; T68-I72 WeakPolarHBondContact O-CB 3.41Å; T68-I72 VanDerWaalsContact O-CG1 3.25Å; T68-I72 WeakPolarHBondContact O-CG1 3.09Å; T68-I72 PolarHBondContact O-N 3.29Å; T68-M87 HydrophobicContact CG2-CB 4.49Å; T68-M87 HydrophobicContact CG2-CE 3.72Å; T68-L91 HydrophobicContact CG2-CD1 4.12Å; T68-M121 HydrophobicContact CG2-CE 4.26Å; T68-M121 HydrophobicContact CG2-SD 4.07Å
69F97.5Very high94.7Very high12 Ų1250.9 Ų50.95%0.05323%0.234CC..Hα-helixtrans-64.5-48.7178.2170.9-110000111.1W66 D67 T71 I72 K73 L117 R120 M121 E124W66-F69 WeakPolarHBondContact O-CB 3.2Å; W66-F69 PolarHBondContact O-N 3.25Å; D67-F69 PolarHBondContact O-N 2.89Å; D67-F69 VanDerWaalsContact O-N 3.1Å; F69-T71 VanDerWaalsContact C-N 3.34Å; F69-I72 PolarHBondContact O-N 3.29Å; F69-K73 HydrophobicContact CE1-CD 4.06Å; F69-K73 HydrophobicContact CE1-CG 4.47Å; F69-K73 HydrophobicContact CE2-CD 4.25Å; F69-K73 HydrophobicContact CE2-CG 4.19Å; F69-K73 HydrophobicContact CZ-CD 3.72Å; F69-K73 HydrophobicContact CZ-CG 4.12Å; F69-K73 WeakPolarHBondContact O-CG 3.26Å; F69-K73 PolarHBondContact O-N 3.05Å; F69-L117 HydrophobicContact CB-CB 4.16Å; F69-L117 HydrophobicContact CB-CD1 3.77Å; F69-L117 HydrophobicContact CD1-CD1 3.97Å; F69-L117 HydrophobicContact CG-CB 4.35Å; F69-L117 HydrophobicContact CG-CD1 3.93Å; F69-R120 HydrophobicContact CD2-CG 4.35Å; F69-R120 HydrophobicContact CE2-CB 4.34Å; F69-R120 HydrophobicContact CE2-CG 3.56Å; F69-R120 HydrophobicContact CZ-CG 4.03Å; F69-M121 HydrophobicContact CB-CE 3.66Å; F69-M121 HydrophobicContact CB-CG 4.18Å; F69-M121 HydrophobicContact CD2-CG 3.89Å; F69-E124 HydrophobicContact CE2-CG 3.96Å
70W96.9Very high94.4Very high158 Ų15841.9 Ų41.960%0.59820%0.201SC*.Hα-helixtrans-68.4-36.7179.4-58.3111.4000111.6D67 K73 G74D67-W70 PolarHBondContact O-N 3.29Å; W70-K73 PolarHBondContact O-N 3.41Å; W70-G74 PolarHBondContact O-N 2.83Å
71T96.4Very high94.2Very high15 Ų1542.4 Ų42.49%0.09220%0.203CC..Hα-helixtrans-61-46.9172.1-52.40000111.5W26 I54 D67 T68 F69 K73 G74 L75 M87W26-T71 HydrophobicContact CE3-CG2 4.26Å; W26-T71 HydrophobicContact CH2-CG2 4.19Å; W26-T71 HydrophobicContact CZ3-CG2 3.64Å; I54-T71 HydrophobicContact CB-CG2 3.5Å; I54-T71 VanDerWaalsContact CB-CG2 3.5Å; I54-T71 HydrophobicContact CG1-CG2 3.82Å; I54-T71 HydrophobicContact CG2-CG2 3.64Å; D67-T71 PolarHBondContact O-N 3.37Å; D67-T71 PolarHBondContact O-OG1 3.33Å; D67-T71 VanDerWaalsContact O-OG1 3.13Å; T68-T71 PolarHBondContact O-N 3.05Å; F69-T71 VanDerWaalsContact C-N 3.34Å; T71-K73 VanDerWaalsContact C-N 3.31Å; T71-K73 PolarHBondContact O-N 2.88Å; T71-G74 PolarHBondContact O-N 3.04Å; T71-G74 VanDerWaalsContact O-N 3.13Å; T71-L75 HydrophobicContact CG2-CD1 4Å; T71-L75 HydrophobicContact CG2-CG 4.22Å; T71-L75 VanDerWaalsContact O-CG 3.32Å; T71-L75 WeakPolarHBondContact O-CG 3.05Å; T71-L75 PolarHBondContact O-N 3.22Å; T71-M87 HydrophobicContact CG2-CE 3.97Å
72I96.9Very high94Very high0 Ų040 Ų400%021%0.207CC..Hα-helixtrans-57.9-46.3176.4-75.9169.8000110.4T68 F69 G74 L75 L76 V84 I88 M121T68-I72 HydrophobicContact CG2-CD1 3.78Å; T68-I72 HydrophobicContact CG2-CG1 4.26Å; T68-I72 WeakPolarHBondContact O-CB 3.41Å; T68-I72 VanDerWaalsContact O-CG1 3.25Å; T68-I72 WeakPolarHBondContact O-CG1 3.09Å; T68-I72 PolarHBondContact O-N 3.29Å; F69-I72 PolarHBondContact O-N 3.29Å; I72-G74 VanDerWaalsContact C-N 3.3Å; I72-G74 PolarHBondContact O-N 2.9Å; I72-L75 PolarHBondContact O-N 3.24Å; I72-L76 HydrophobicContact CG2-CD1 3.87Å; I72-L76 HydrophobicContact CG2-CG 4.22Å; I72-L76 WeakPolarHBondContact O-CB 3.35Å; I72-L76 VanDerWaalsContact O-CG 3.27Å; I72-L76 WeakPolarHBondContact O-CG 3.35Å; I72-L76 PolarHBondContact O-N 3.01Å; I72-V84 HydrophobicContact CB-CG1 4.46Å; I72-V84 HydrophobicContact CD1-CG1 4.34Å; I72-V84 HydrophobicContact CG1-CG1 4.07Å; I72-V84 HydrophobicContact CG1-CG2 4.47Å; I72-V84 HydrophobicContact CG2-CG1 3.69Å; I72-V84 HydrophobicContact CG2-CG2 4.31Å; I72-I88 HydrophobicContact CD1-CD1 4.2Å; I72-I88 HydrophobicContact CD1-CG1 3.66Å; I72-M121 HydrophobicContact CD1-CB 3.87Å; I72-M121 HydrophobicContact CD1-CG 3.87Å; I72-M121 HydrophobicContact CD1-SD 3.95Å
73K95.9Very high93.9Very high83 Ų8340.2 Ų40.236%0.36121%0.209SC..Hα-helixtrans-57.2-44176.1-70.5-148.469.6169.70112.6F69 W70 T71 A77 E124F69-K73 HydrophobicContact CE1-CD 4.06Å; F69-K73 HydrophobicContact CE1-CG 4.47Å; F69-K73 HydrophobicContact CE2-CD 4.25Å; F69-K73 HydrophobicContact CE2-CG 4.19Å; F69-K73 HydrophobicContact CZ-CD 3.72Å; F69-K73 HydrophobicContact CZ-CG 4.12Å; F69-K73 WeakPolarHBondContact O-CG 3.26Å; F69-K73 PolarHBondContact O-N 3.05Å; W70-K73 PolarHBondContact O-N 3.41Å; T71-K73 VanDerWaalsContact C-N 3.31Å; T71-K73 PolarHBondContact O-N 2.88Å; K73-A77 WeakPolarHBondContact O-CB 3.42Å; K73-A77 PolarHBondContact O-N 3.42Å; K73-E124 WeakPolarHBondContact CE-OE2 3.38Å; K73-E124 IonicContact NZ-OE2 3.58Å
74G94.2Very high93.9Very high21 Ų2140 Ų4022%0.21621%0.208CC..Hα-helixtrans-62.2-48.1175.900000112.3W70 T71 I72 L76 A77 S78W70-G74 PolarHBondContact O-N 2.83Å; T71-G74 PolarHBondContact O-N 3.04Å; T71-G74 VanDerWaalsContact O-N 3.13Å; I72-G74 VanDerWaalsContact C-N 3.3Å; I72-G74 PolarHBondContact O-N 2.9Å; G74-L76 VanDerWaalsContact C-N 3.33Å; G74-L76 PolarHBondContact O-N 3.34Å; G74-A77 PolarHBondContact O-N 3.48Å; G74-S78 VanDerWaalsContact O-CB 3.28Å; G74-S78 WeakPolarHBondContact O-CB 3.48Å; G74-S78 PolarHBondContact O-N 3.31Å; G74-S78 PolarHBondContact O-OG 2.81Å
75L94.4Very high93.9Very high0 Ų039.7 Ų39.70%021%0.21CC..Hα-helixtrans-60.6-40.9178-68.7172.9000112.3W26 I54 T71 I72 S78 N79 M80 T83 V84 M87W26-L75 HydrophobicContact CB-CD2 4.32Å; W26-L75 HydrophobicContact CD2-CD2 3.94Å; W26-L75 HydrophobicContact CE3-CD2 4.35Å; W26-L75 HydrophobicContact CG-CD2 3.92Å; I54-L75 HydrophobicContact CG1-CD1 4.06Å; T71-L75 HydrophobicContact CG2-CD1 4Å; T71-L75 HydrophobicContact CG2-CG 4.22Å; T71-L75 VanDerWaalsContact O-CG 3.32Å; T71-L75 WeakPolarHBondContact O-CG 3.05Å; T71-L75 PolarHBondContact O-N 3.22Å; I72-L75 PolarHBondContact O-N 3.24Å; L75-S78 CarbonylContact O-C 3.42Å; L75-S78 PolarHBondContact O-N 2.9Å; L75-N79 PolarHBondContact O-N 3.29Å; L75-M80 HydrophobicContact CB-CB 4.26Å; L75-M80 HydrophobicContact CD2-CB 3.97Å; L75-M80 HydrophobicContact CD2-CE 4.11Å; L75-M80 HydrophobicContact CD2-SD 3.74Å; L75-M80 PolarHBondContact O-N 3.39Å; L75-T83 HydrophobicContact CD1-CG2 4.38Å; L75-V84 HydrophobicContact CB-CG2 3.81Å; L75-V84 HydrophobicContact CD1-CG2 4.09Å; L75-M87 HydrophobicContact CD1-SD 3.69Å
76L94Very high93.9Very high11 Ų1140.1 Ų40.16%0.05822%0.215CC..Hα-helixtrans-64.5-45.1176.1-68.8176000111.5I72 G74 S78 N79 F81 V84 E124 Y125 V128I72-L76 HydrophobicContact CG2-CD1 3.87Å; I72-L76 HydrophobicContact CG2-CG 4.22Å; I72-L76 WeakPolarHBondContact O-CB 3.35Å; I72-L76 VanDerWaalsContact O-CG 3.27Å; I72-L76 WeakPolarHBondContact O-CG 3.35Å; I72-L76 PolarHBondContact O-N 3.01Å; G74-L76 VanDerWaalsContact C-N 3.33Å; G74-L76 PolarHBondContact O-N 3.34Å; L76-S78 PolarHBondContact O-N 2.98Å; L76-N79 PolarHBondContact O-N 3.49Å; L76-F81 HydrophobicContact CD2-CD1 3.75Å; L76-F81 HydrophobicContact CD2-CE1 4.14Å; L76-V84 HydrophobicContact CD2-CG1 4.49Å; L76-V84 HydrophobicContact CD2-CG2 4.07Å; L76-V84 HydrophobicContact CG-CG2 4.28Å; L76-E124 HydrophobicContact CD1-CB 4.05Å; L76-Y125 HydrophobicContact CD2-CD2 4.14Å; L76-V128 HydrophobicContact CD1-CG2 4.26Å; L76-V128 HydrophobicContact CD2-CB 4.43Å; L76-V128 HydrophobicContact CD2-CG1 4.38Å
77A90.6Very high94Very high78 Ų7834.8 Ų34.865%0.64520%0.195SC*.Hα-helixtrans-64.3-28.3175.600000112.7K73 G74 N79K73-A77 WeakPolarHBondContact O-CB 3.42Å; K73-A77 PolarHBondContact O-N 3.42Å; G74-A77 PolarHBondContact O-N 3.48Å; A77-N79 VanDerWaalsContact C-N 3.29Å
78S87.5Confident94Very high10 Ų1032.5 Ų32.57%0.0718%0.183CC..THydrogen-bonded Turntrans-83.76.8173.8-80.40000113.8P4 H23 G74 L75 L76 M80P4-S78 WeakPolarHBondContact CG-O 3.49Å; H23-S78 PolarHBondContact CD2-OG 3.36Å; H23-S78 WeakPolarHBondContact NE2-CB 3.46Å; H23-S78 PolarHBondContact NE2-O 2.93Å; H23-S78 PolarHBondContact NE2-OG 2.9Å; G74-S78 VanDerWaalsContact O-CB 3.28Å; G74-S78 WeakPolarHBondContact O-CB 3.48Å; G74-S78 PolarHBondContact O-N 3.31Å; G74-S78 PolarHBondContact O-OG 2.81Å; L75-S78 CarbonylContact O-C 3.42Å; L75-S78 PolarHBondContact O-N 2.9Å; L76-S78 PolarHBondContact O-N 2.98Å; S78-M80 WeakPolarHBondContact O-CG 3.48Å; S78-M80 PolarHBondContact O-N 2.9Å; S78-M80 VanDerWaalsContact O-N 3.13Å
79N86.7Confident94Very high71 Ų7136.2 Ų36.238%0.3820%0.199SC..THydrogen-bonded Turntrans54.226.2-175.4-65-30.4000114.6P4 L75 L76 A77 F81P4-N79 HydrophobicContact CB-CB 3.5Å; P4-N79 VanDerWaalsContact CB-CB 3.5Å; P4-N79 HydrophobicContact CG-CB 3.5Å; L75-N79 PolarHBondContact O-N 3.29Å; L76-N79 PolarHBondContact O-N 3.49Å; A77-N79 VanDerWaalsContact C-N 3.29Å; N79-F81 VanDerWaalsContact C-N 3.27Å; N79-F81 HydrophobicContact CB-CE2 3.95Å; N79-F81 HydrophobicContact CB-CZ 3.92Å; N79-F81 PolarHBondContact O-N 3.29Å; N79-F81 VanDerWaalsContact OD1-CZ 3.24Å; N79-F81 WeakPolarHBondContact OD1-CZ 3.49Å
80M86.3Confident94Very high9 Ų935.9 Ų35.94%0.04420%0.197CC..  trans-9250.6-178.7-62174.479.200111.7M1 W26 L75 S78 S82 T83M1-M80 HydrophobicContact CE-CE 3.42Å; M1-M80 VanDerWaalsContact CE-CE 3.42Å; M1-M80 HydrophobicContact CG-CE 3.44Å; M1-M80 VanDerWaalsContact CG-CE 3.44Å; M1-M80 HydrophobicContact SD-CE 3.05Å; M1-M80 WeakPolarHBondContact SD-CE 3.48Å; W26-M80 HydrophobicContact CB-CE 3.8Å; W26-M80 HydrophobicContact CB-SD 4.13Å; W26-M80 HydrophobicContact CG-CE 4.28Å; W26-M80 HydrophobicContact CG-SD 3.95Å; L75-M80 HydrophobicContact CB-CB 4.26Å; L75-M80 HydrophobicContact CD2-CB 3.97Å; L75-M80 HydrophobicContact CD2-CE 4.11Å; L75-M80 HydrophobicContact CD2-SD 3.74Å; L75-M80 PolarHBondContact O-N 3.39Å; S78-M80 WeakPolarHBondContact O-CG 3.48Å; S78-M80 PolarHBondContact O-N 2.9Å; S78-M80 VanDerWaalsContact O-N 3.13Å; M80-S82 VanDerWaalsContact C-N 3.28Å; M80-S82 PolarHBondContact O-N 3.33Å; M80-T83 PolarHBondContact O-N 3.06Å
81F90.1Very high94Very high71 Ų7128.5 Ų28.531%0.31117%0.169SC..THydrogen-bonded Turntrans-61.5-31.2-168.2-51.7-53.3000114.2L76 N79 T83 V84 P85 V128 T129L76-F81 HydrophobicContact CD2-CD1 3.75Å; L76-F81 HydrophobicContact CD2-CE1 4.14Å; N79-F81 VanDerWaalsContact C-N 3.27Å; N79-F81 HydrophobicContact CB-CE2 3.95Å; N79-F81 HydrophobicContact CB-CZ 3.92Å; N79-F81 PolarHBondContact O-N 3.29Å; N79-F81 VanDerWaalsContact OD1-CZ 3.24Å; N79-F81 WeakPolarHBondContact OD1-CZ 3.49Å; F81-T83 PolarHBondContact O-N 3.46Å; F81-T83 VanDerWaalsContact O-N 3.16Å; F81-V84 PolarHBondContact O-N 2.95Å; F81-P85 WeakPolarHBondContact O-CD 3.49Å; F81-V128 HydrophobicContact CD1-CG1 4.36Å; F81-V128 HydrophobicContact CE1-CG1 3.6Å; F81-V128 HydrophobicContact CZ-CG1 4.16Å; F81-T129 HydrophobicContact CD1-CG2 4.39Å
82S90.4Very high93.9Very high88 Ų8828.1 Ų28.162%0.61517%0.168SC*.THydrogen-bonded Turntrans-63.2-24.6-175.165.20000114.3M80M80-S82 VanDerWaalsContact C-N 3.28Å; M80-S82 PolarHBondContact O-N 3.33Å
83T92.8Very high93.8Very high13 Ų1330.9 Ų30.98%0.0818%0.179CC..THydrogen-bonded Turntrans-87.2-31.4-175-46.40000111.9M1 L75 M80 F81 G86 M87M1-T83 HydrophobicContact CE-CG2 4Å; M1-T83 WeakPolarHBondContact CE-OG1 3.36Å; L75-T83 HydrophobicContact CD1-CG2 4.38Å; M80-T83 PolarHBondContact O-N 3.06Å; F81-T83 PolarHBondContact O-N 3.46Å; F81-T83 VanDerWaalsContact O-N 3.16Å; T83-G86 PolarHBondContact O-N 2.87Å; T83-M87 HydrophobicContact CG2-CG 4.5Å; T83-M87 HydrophobicContact CG2-SD 4.3Å; T83-M87 PolarHBondContact O-N 2.99Å
84V96.9Very high93.8Very high0 Ų027 Ų270%016%0.162CC..Hα-helixtrans-61.4-46.4-173.11730000112.8I72 L75 L76 F81 G86 M87 I88 Y125I72-V84 HydrophobicContact CB-CG1 4.46Å; I72-V84 HydrophobicContact CD1-CG1 4.34Å; I72-V84 HydrophobicContact CG1-CG1 4.07Å; I72-V84 HydrophobicContact CG1-CG2 4.47Å; I72-V84 HydrophobicContact CG2-CG1 3.69Å; I72-V84 HydrophobicContact CG2-CG2 4.31Å; L75-V84 HydrophobicContact CB-CG2 3.81Å; L75-V84 HydrophobicContact CD1-CG2 4.09Å; L76-V84 HydrophobicContact CD2-CG1 4.49Å; L76-V84 HydrophobicContact CD2-CG2 4.07Å; L76-V84 HydrophobicContact CG-CG2 4.28Å; F81-V84 PolarHBondContact O-N 2.95Å; V84-G86 VanDerWaalsContact C-N 3.29Å; V84-G86 PolarHBondContact O-N 3.11Å; V84-M87 PolarHBondContact O-N 3.38Å; V84-M87 VanDerWaalsContact O-N 3.15Å; V84-I88 HydrophobicContact CG1-CD1 3.78Å; V84-I88 HydrophobicContact CG1-CG1 4.37Å; V84-I88 PolarHBondContact O-N 3.23Å; V84-Y125 HydrophobicContact CB-CD2 3.92Å; V84-Y125 HydrophobicContact CB-CE2 4.28Å; V84-Y125 HydrophobicContact CG1-CD2 3.45Å; V84-Y125 VanDerWaalsContact CG1-CD2 3.45Å; V84-Y125 HydrophobicContact CG1-CE2 4.25Å; V84-Y125 HydrophobicContact CG1-CG 4.02Å
85P97Very high93.7Very high22 Ų2226 Ų2614%0.14315%0.152CC..Hα-helixtrans-55.8-42.3177.1-30.537.6000113.1F81 M87 I88 K89 Y125 F134F81-P85 WeakPolarHBondContact O-CD 3.49Å; P85-M87 PolarHBondContact O-N 3.36Å; P85-I88 PolarHBondContact O-N 3.24Å; P85-K89 VanDerWaalsContact O-CB 3.31Å; P85-K89 WeakPolarHBondContact O-CB 3.4Å; P85-K89 VanDerWaalsContact O-CG 3.29Å; P85-K89 WeakPolarHBondContact O-CG 3.43Å; P85-K89 PolarHBondContact O-N 3.09Å; P85-Y125 HydrophobicContact CG-CD2 4.48Å; P85-Y125 HydrophobicContact CG-CE1 4.14Å; P85-Y125 HydrophobicContact CG-CE2 3.62Å; P85-Y125 VanDerWaalsContact CG-CZ 3.43Å; P85-Y125 VanDerWaalsContact CG-OH 3.27Å; P85-Y125 WeakPolarHBondContact CG-OH 3.25Å; P85-F134 HydrophobicContact CB-CD2 4.34Å; P85-F134 HydrophobicContact CB-CE2 3.69Å; P85-F134 HydrophobicContact CB-CZ 4.23Å; P85-F134 HydrophobicContact CG-CE2 4.49Å
86G96.9Very high93.6Very high12 Ų1231.5 Ų31.512%0.12418%0.181CC..Hα-helixtrans-62.9-42.7178.700000112.2H51 T83 V84 K89 N90H51-G86 WeakPolarHBondContact CB-O 3.36Å; T83-G86 PolarHBondContact O-N 2.87Å; V84-G86 VanDerWaalsContact C-N 3.29Å; V84-G86 PolarHBondContact O-N 3.11Å; G86-K89 PolarHBondContact O-N 3.22Å; G86-N90 WeakPolarHBondContact O-CB 3.37Å; G86-N90 PolarHBondContact O-N 2.82Å
87M97.9Very high93.5Very high4 Ų435.1 Ų35.12%0.0220%0.199CC..Hα-helixtrans-63.6-43.1176.9-69.3-179.972.100112.3F53 I54 T68 T71 L75 T83 V84 P85 N90 L91F53-M87 HydrophobicContact CB-CG 4.14Å; I54-M87 HydrophobicContact CB-CE 4.03Å; I54-M87 HydrophobicContact CB-SD 4.33Å; I54-M87 HydrophobicContact CG1-CE 4.29Å; I54-M87 HydrophobicContact CG1-SD 3.92Å; T68-M87 HydrophobicContact CG2-CB 4.49Å; T68-M87 HydrophobicContact CG2-CE 3.72Å; T71-M87 HydrophobicContact CG2-CE 3.97Å; L75-M87 HydrophobicContact CD1-SD 3.69Å; T83-M87 HydrophobicContact CG2-CG 4.5Å; T83-M87 HydrophobicContact CG2-SD 4.3Å; T83-M87 PolarHBondContact O-N 2.99Å; V84-M87 PolarHBondContact O-N 3.38Å; V84-M87 VanDerWaalsContact O-N 3.15Å; P85-M87 PolarHBondContact O-N 3.36Å; M87-N90 WeakPolarHBondContact O-CB 3.39Å; M87-N90 PolarHBondContact O-N 3.37Å; M87-L91 PolarHBondContact O-N 2.92Å
88I97.6Very high93.6Very high0 Ų034.7 Ų34.70%018%0.183CC..Hα-helixtrans-68-43.8177.5-64.6172.9000110.6I72 V84 P85 N90 L91 A92 F118 M121 V122 Y125 F134 L138I72-I88 HydrophobicContact CD1-CD1 4.2Å; I72-I88 HydrophobicContact CD1-CG1 3.66Å; V84-I88 HydrophobicContact CG1-CD1 3.78Å; V84-I88 HydrophobicContact CG1-CG1 4.37Å; V84-I88 PolarHBondContact O-N 3.23Å; P85-I88 PolarHBondContact O-N 3.24Å; I88-N90 VanDerWaalsContact C-N 3.27Å; I88-N90 PolarHBondContact O-N 2.89Å; I88-L91 WeakPolarHBondContact O-CB 3.29Å; I88-L91 PolarHBondContact O-N 3.43Å; I88-A92 PolarHBondContact O-N 3.42Å; I88-F118 HydrophobicContact CG2-CE2 3.79Å; I88-F118 HydrophobicContact CG2-CZ 4.43Å; I88-M121 HydrophobicContact CD1-CB 4.25Å; I88-M121 HydrophobicContact CG1-CB 4.21Å; I88-V122 HydrophobicContact CG2-CG2 3.75Å; I88-Y125 HydrophobicContact CD1-CG 4.44Å; I88-F134 HydrophobicContact CB-CE1 4.38Å; I88-F134 HydrophobicContact CB-CZ 3.87Å; I88-F134 HydrophobicContact CD1-CE1 3.97Å; I88-F134 HydrophobicContact CD1-CZ 4.15Å; I88-F134 HydrophobicContact CG2-CE1 3.98Å; I88-F134 HydrophobicContact CG2-CZ 3.74Å; I88-L138 HydrophobicContact CG2-CD1 3.47Å; I88-L138 VanDerWaalsContact CG2-CD1 3.47Å
89K97Very high93.7Very high83 Ų8335.7 Ų35.736%0.36120%0.195SC..Hα-helixtrans-61.8-33.6175.9-75.7-179.5176.5-174.40112.3P85 G86 L91 A92 Y93 F134P85-K89 VanDerWaalsContact O-CB 3.31Å; P85-K89 WeakPolarHBondContact O-CB 3.4Å; P85-K89 VanDerWaalsContact O-CG 3.29Å; P85-K89 WeakPolarHBondContact O-CG 3.43Å; P85-K89 PolarHBondContact O-N 3.09Å; G86-K89 PolarHBondContact O-N 3.22Å; K89-L91 VanDerWaalsContact C-N 3.34Å; K89-L91 PolarHBondContact O-N 2.91Å; K89-A92 PolarHBondContact O-N 2.75Å; K89-Y93 WeakPolarHBondContact O-CB 3.44Å; K89-Y93 PolarHBondContact O-N 2.9Å; K89-F134 HydrophobicContact CD-CE2 4.36Å; K89-F134 HydrophobicContact CG-CE2 4.11Å
90N97.3Very high93.9Very high4 Ų434.1 Ų34.12%0.02119%0.185CC..Hα-helixtrans-61.9-40.4171.1-76.6-14.6000112.4V49 P50 H51 G86 M87 I88 Y93 I94V49-N90 HydrophobicContact CB-CB 3.91Å; V49-N90 HydrophobicContact CG1-CB 4.09Å; V49-N90 HydrophobicContact CG2-CB 4.34Å; P50-N90 VanDerWaalsContact CD-OD1 3.29Å; P50-N90 WeakPolarHBondContact CD-OD1 3.4Å; H51-N90 WeakPolarHBondContact CA-OD1 3.4Å; H51-N90 VanDerWaalsContact CB-OD1 3.27Å; H51-N90 WeakPolarHBondContact CB-OD1 3.22Å; H51-N90 PolarHBondContact CD2-OD1 3.13Å; H51-N90 PolarHBondContact N-OD1 3.48Å; H51-N90 PolarHBondContact O-ND2 3.33Å; G86-N90 WeakPolarHBondContact O-CB 3.37Å; G86-N90 PolarHBondContact O-N 2.82Å; M87-N90 WeakPolarHBondContact O-CB 3.39Å; M87-N90 PolarHBondContact O-N 3.37Å; I88-N90 VanDerWaalsContact C-N 3.27Å; I88-N90 PolarHBondContact O-N 2.89Å; N90-Y93 PolarHBondContact O-N 3.24Å; N90-I94 VanDerWaalsContact O-CG1 3.29Å; N90-I94 WeakPolarHBondContact O-CG1 3.27Å; N90-I94 PolarHBondContact O-N 3.03Å
91L96.3Very high94.2Very high3 Ų334 Ų342%0.01618%0.184CC..Hα-helixtrans-67.3-40.2176.1-62.2-178.1000111.5F63 Y65 T68 M87 I88 K89 I94 V95 I101 F118 M121F63-L91 HydrophobicContact CD2-CD2 4.31Å; F63-L91 HydrophobicContact CE2-CD2 4.35Å; Y65-L91 HydrophobicContact CD2-CD1 4.07Å; Y65-L91 HydrophobicContact CD2-CD2 4.43Å; Y65-L91 HydrophobicContact CE2-CD1 4.13Å; T68-L91 HydrophobicContact CG2-CD1 4.12Å; M87-L91 PolarHBondContact O-N 2.92Å; I88-L91 WeakPolarHBondContact O-CB 3.29Å; I88-L91 PolarHBondContact O-N 3.43Å; K89-L91 VanDerWaalsContact C-N 3.34Å; K89-L91 PolarHBondContact O-N 2.91Å; L91-I94 PolarHBondContact O-N 3.44Å; L91-V95 WeakPolarHBondContact O-CG2 3.29Å; L91-V95 PolarHBondContact O-N 3.01Å; L91-I101 HydrophobicContact CB-CD1 3.94Å; L91-I101 HydrophobicContact CD1-CD1 4.45Å; L91-I101 HydrophobicContact CD2-CG2 3.87Å; L91-F118 HydrophobicContact CB-CD2 3.88Å; L91-F118 HydrophobicContact CB-CE2 3.94Å; L91-F118 HydrophobicContact CD1-CD2 4.17Å; L91-M121 HydrophobicContact CD1-CE 3.97Å; L91-M121 HydrophobicContact CD1-SD 3.38Å; L91-M121 WeakPolarHBondContact CD1-SD 3.44Å
92A95.3Very high94.5Very high7 Ų730.6 Ų30.66%0.05817%0.169CC..Hα-helixtrans-59.8-47.1172.800000111.4I88 K89 I94 V95 D96 F118 L138I88-A92 PolarHBondContact O-N 3.42Å; K89-A92 PolarHBondContact O-N 2.75Å; A92-I94 VanDerWaalsContact C-N 3.29Å; A92-I94 PolarHBondContact O-N 3.4Å; A92-V95 WeakPolarHBondContact O-CA 3.43Å; A92-V95 VanDerWaalsContact O-CB 3.29Å; A92-V95 WeakPolarHBondContact O-CB 3.4Å; A92-V95 PolarHBondContact O-N 3.14Å; A92-D96 PolarHBondContact O-N 3.06Å; A92-F118 HydrophobicContact CB-CE2 4.42Å; A92-F118 HydrophobicContact CB-CZ 4.04Å; A92-L138 HydrophobicContact CB-CD2 3.77Å
93Y95.4Very high94.7Very high58 Ų5828.3 Ų28.323%0.22715%0.15CC..Hα-helixtrans-56.5-41.9175.1174.8-90.8000112.5Y48 V49 P50 K89 N90 V95 D96 M97Y48-Y93 HydrophobicContact CD1-CE1 4.19Å; Y48-Y93 VanDerWaalsContact O-CE1 3.28Å; Y48-Y93 WeakPolarHBondContact O-CE1 3.29Å; V49-Y93 HydrophobicContact CG1-CD1 4.41Å; P50-Y93 HydrophobicContact CG-CD2 4.3Å; P50-Y93 HydrophobicContact CG-CG 4.23Å; K89-Y93 WeakPolarHBondContact O-CB 3.44Å; K89-Y93 PolarHBondContact O-N 2.9Å; N90-Y93 PolarHBondContact O-N 3.24Å; Y93-V95 VanDerWaalsContact C-N 3.32Å; Y93-V95 PolarHBondContact O-N 3.4Å; Y93-D96 PolarHBondContact O-N 2.75Å; Y93-M97 HydrophobicContact CD1-CG 4.21Å; Y93-M97 HydrophobicContact CE1-CG 3.72Å; Y93-M97 HydrophobicContact CE2-CG 4.15Å; Y93-M97 HydrophobicContact CE2-SD 4.38Å; Y93-M97 VanDerWaalsContact O-CG 3.29Å; Y93-M97 WeakPolarHBondContact O-CG 3.28Å; Y93-M97 PolarHBondContact O-N 3.43Å
94I95Very high94.9Very high1 Ų127.7 Ų27.71%0.00515%0.147CC..Hα-helixtrans-66.3-36.4177-70.3-70.7000111.7L47 V49 F63 N90 L91 A92 M97 H98 P102L47-I94 HydrophobicContact CB-CD1 4.08Å; L47-I94 HydrophobicContact CD1-CD1 4.2Å; V49-I94 HydrophobicContact CG1-CD1 3.75Å; V49-I94 HydrophobicContact CG1-CG1 3.7Å; F63-I94 HydrophobicContact CE1-CD1 4.32Å; F63-I94 HydrophobicContact CE1-CG1 4.32Å; F63-I94 HydrophobicContact CZ-CD1 3.9Å; F63-I94 HydrophobicContact CZ-CG1 3.75Å; N90-I94 VanDerWaalsContact O-CG1 3.29Å; N90-I94 WeakPolarHBondContact O-CG1 3.27Å; N90-I94 PolarHBondContact O-N 3.03Å; L91-I94 PolarHBondContact O-N 3.44Å; A92-I94 VanDerWaalsContact C-N 3.29Å; A92-I94 PolarHBondContact O-N 3.4Å; I94-M97 PolarHBondContact O-N 2.86Å; I94-H98 WeakPolarHBondContact O-CB 3.42Å; I94-H98 PolarHBondContact O-N 3.29Å; I94-P102 HydrophobicContact CG2-CG 4.17Å
95V92.2Very high94.9Very high2 Ų227.7 Ų27.71%0.01215%0.147CC..Hα-helixtrans-60.8-47172169.70000110.8L91 A92 Y93 M97 H98 G99 I101 K145L91-V95 WeakPolarHBondContact O-CG2 3.29Å; L91-V95 PolarHBondContact O-N 3.01Å; A92-V95 WeakPolarHBondContact O-CA 3.43Å; A92-V95 VanDerWaalsContact O-CB 3.29Å; A92-V95 WeakPolarHBondContact O-CB 3.4Å; A92-V95 PolarHBondContact O-N 3.14Å; Y93-V95 VanDerWaalsContact C-N 3.32Å; Y93-V95 PolarHBondContact O-N 3.4Å; V95-M97 VanDerWaalsContact C-N 3.25Å; V95-M97 PolarHBondContact O-N 3.02Å; V95-H98 PolarHBondContact O-N 2.94Å; V95-G99 VanDerWaalsContact O-CA 3.23Å; V95-G99 WeakPolarHBondContact O-CA 3.25Å; V95-G99 PolarHBondContact O-N 3.02Å; V95-I101 HydrophobicContact CG2-CD1 3.99Å; V95-I101 HydrophobicContact CG2-CG1 3.43Å; V95-I101 VanDerWaalsContact CG2-CG1 3.43Å; V95-K145 HydrophobicContact CB-CD 4.4Å; V95-K145 HydrophobicContact CG1-CD 3.52Å; V95-K145 VanDerWaalsContact CG1-CE 3.43Å; V95-K145 HydrophobicContact CG1-CG 3.99Å; V95-K145 HydrophobicContact CG2-CD 3.91Å; V95-K145 HydrophobicContact CG2-CG 4.02Å
96D92.2Very high94.9Very high115 Ų11529.4 Ų29.462%0.61515%0.15SC*.Hα-helixtrans-61.9-37-179.8-62.1-21.7000111.5A92 Y93A92-D96 PolarHBondContact O-N 3.06Å; Y93-D96 PolarHBondContact O-N 2.75Å
97M92.4Very high94.8Very high87 Ų8732.1 Ų32.143%0.42916%0.164SC..Hα-helixtrans-80.4-31.8-177.9-68.1-57.2-45.800114.5Y93 I94 V95Y93-M97 HydrophobicContact CD1-CG 4.21Å; Y93-M97 HydrophobicContact CE1-CG 3.72Å; Y93-M97 HydrophobicContact CE2-CG 4.15Å; Y93-M97 HydrophobicContact CE2-SD 4.38Å; Y93-M97 VanDerWaalsContact O-CG 3.29Å; Y93-M97 WeakPolarHBondContact O-CG 3.28Å; Y93-M97 PolarHBondContact O-N 3.43Å; I94-M97 PolarHBondContact O-N 2.86Å; V95-M97 VanDerWaalsContact C-N 3.25Å; V95-M97 PolarHBondContact O-N 3.02Å
98H91.8Very high94.6Very high68 Ų6835.2 Ų35.232%0.31519%0.185SC..Hα-helixtrans-128.8-3.6-168.4-61.7-64.3000114.6I94 V95 F100 L110I94-H98 WeakPolarHBondContact O-CB 3.42Å; I94-H98 PolarHBondContact O-N 3.29Å; V95-H98 PolarHBondContact O-N 2.94Å; H98-F100 WeakPolarHBondContact O-CD1 3.44Å; H98-F100 PolarHBondContact O-N 3.34Å; H98-L110 HydrophobicContact CB-CD2 4.13Å
99G89.5Confident94.5Very high31 Ų3137.2 Ų37.232%0.3219%0.194SC..SBendtrans77.7-6.3179.300000115V95 K145V95-G99 VanDerWaalsContact O-CA 3.23Å; V95-G99 WeakPolarHBondContact O-CA 3.25Å; V95-G99 PolarHBondContact O-N 3.02Å; G99-K145 PolarHBondContact O-NZ 3.28Å
100F90.7Very high94.3Very high39 Ų3935.7 Ų35.717%0.17119%0.19CC..SBendtrans-160.7171.3174.969.6-79.5000110.5H98 P102 L110 F148H98-F100 WeakPolarHBondContact O-CD1 3.44Å; H98-F100 PolarHBondContact O-N 3.34Å; F100-P102 HydrophobicContact CE2-CB 4.12Å; F100-L110 WeakPolarHBondContact CZ-O 3.46Å; F100-F148 HydrophobicContact CB-CZ 4.4Å
101I93.5Very high94Very high5 Ų542.2 Ų42.23%0.02622%0.218CC..  trans-95.8114.2175.9-55167.6000108.8Y65 L91 V95 S113 F118Y65-I101 HydrophobicContact CD1-CB 3.78Å; Y65-I101 HydrophobicContact CD1-CG2 3.6Å; Y65-I101 HydrophobicContact CD2-CB 4.25Å; Y65-I101 HydrophobicContact CD2-CD1 4.12Å; Y65-I101 HydrophobicContact CD2-CG2 3.56Å; Y65-I101 HydrophobicContact CE1-CB 3.79Å; Y65-I101 HydrophobicContact CE1-CD1 4.15Å; Y65-I101 HydrophobicContact CE1-CG2 4.06Å; Y65-I101 HydrophobicContact CE2-CB 4.27Å; Y65-I101 HydrophobicContact CE2-CD1 3.49Å; Y65-I101 VanDerWaalsContact CE2-CD1 3.49Å; Y65-I101 HydrophobicContact CE2-CG1 4.46Å; Y65-I101 HydrophobicContact CE2-CG2 4.04Å; Y65-I101 HydrophobicContact CG-CB 4.03Å; Y65-I101 HydrophobicContact CG-CG2 3.34Å; Y65-I101 VanDerWaalsContact CZ-CD1 3.5Å; L91-I101 HydrophobicContact CB-CD1 3.94Å; L91-I101 HydrophobicContact CD1-CD1 4.45Å; L91-I101 HydrophobicContact CD2-CG2 3.87Å; V95-I101 HydrophobicContact CG2-CD1 3.99Å; V95-I101 HydrophobicContact CG2-CG1 3.43Å; V95-I101 VanDerWaalsContact CG2-CG1 3.43Å; I101-S113 WeakPolarHBondContact O-CB 3.32Å; I101-S113 PolarHBondContact O-OG 3.13Å; I101-F118 HydrophobicContact CD1-CB 3.75Å; I101-F118 HydrophobicContact CD1-CD2 4.06Å; I101-F118 HydrophobicContact CD1-CG 3.97Å
102P95.3Very high93.7Very high0 Ų049.8 Ų49.80%025%0.247CC..BIsolated β-bridgetrans-69.9167.8178.331.7-34.6000111.5L47 Y65 I94 F100 G104 F109 L110 R112L47-P102 HydrophobicContact CD1-CG 4.08Å; Y65-P102 WeakPolarHBondContact CB-O 3.46Å; I94-P102 HydrophobicContact CG2-CG 4.17Å; F100-P102 HydrophobicContact CE2-CB 4.12Å; P102-G104 WeakPolarHBondContact CG-O 3.27Å; P102-G104 PolarHBondContact O-N 3.36Å; P102-F109 HydrophobicContact CB-CB 4.02Å; P102-F109 WeakPolarHBondContact CB-O 3.29Å; P102-L110 HydrophobicContact CB-CD2 4.44Å; P102-L110 HydrophobicContact CG-CD2 4.31Å; P102-R112 CarbonylContact C-O 3.43Å; P102-R112 VanDerWaalsContact CA-O 3.26Å; P102-R112 WeakPolarHBondContact CA-O 3.28Å
103N95.9Very high93.5Very high41 Ų4151.3 Ų51.322%0.21926%0.257CS..SBendtrans-50.2-44.8175.6-179-27.8000111.9Y64 Y65 F109 R112 Q114Y64-N103 WeakPolarHBondContact CA-O 3.4Å; Y64-N103 VanDerWaalsContact CD1-OD1 3.31Å; Y64-N103 WeakPolarHBondContact CD1-OD1 3.38Å; Y65-N103 PolarHBondContact N-O 3.03Å; N103-F109 HydrophobicContact CB-CB 4.31Å; N103-F109 HydrophobicContact CB-CD1 4.4Å; N103-F109 HydrophobicContact CB-CG 4.28Å; N103-R112 PolarHBondContact N-O 2.84Å; N103-Q114 HydrophobicContact CB-CG 4.16Å; N103-Q114 PolarHBondContact O-OE1 2.96Å; N103-Q114 PolarHBondContact OD1-NE2 3.33Å
104G96.5Very high93.3Very high0 Ų049.9 Ų49.90%025%0.252CS..BIsolated β-bridgetrans-152.5178.7172.100000112.9F63 P102 R106F63-G104 CarbonylContact O-C 3.47Å; F63-G104 WeakPolarHBondContact O-CA 3.5Å; P102-G104 WeakPolarHBondContact CG-O 3.27Å; P102-G104 PolarHBondContact O-N 3.36Å; G104-R106 PolarHBondContact O-N 3.02Å
105G96.9Very high93Very high0 Ų052.9 Ų52.90%027%0.272CS..SBendtrans-74.543.4-173.600000115.4L46 L47 F63L46-G105 WeakPolarHBondContact CA-O 3.32Å; L46-G105 WeakPolarHBondContact CD1-O 3.48Å; L47-G105 PolarHBondContact N-O 3.33Å; F63-G105 PolarHBondContact O-N 3.4Å
106R96.7Very high93Very high57 Ų5753.8 Ų53.822%0.21528%0.278CS..BIsolated β-bridgetrans-128.6149.7175.1-65.5-171.7-177.8-79.3-10113S45 E62 G104 C108 F109S45-R106 CarbonylContact O-C 3.56Å; S45-R106 WeakPolarHBondContact O-CA 3.41Å; S45-R106 WeakPolarHBondContact O-CB 3.42Å; S45-R106 PolarHBondContact OG-NH1 3.02Å; E62-R106 HydrophobicContact CB-CG 4.44Å; E62-R106 HydrophobicContact CG-CG 4.15Å; E62-R106 WeakPolarHBondContact OE1-CD 3.49Å; E62-R106 IonicContact OE1-CZ 3.8Å; E62-R106 IonicContact OE1-NE 2.85Å; E62-R106 PolarHBondContact OE1-NE 3.49Å; E62-R106 IonicContact OE1-NH2 3.85Å; E62-R106 IonicContact OE2-CZ 3.35Å; E62-R106 IonicContact OE2-NE 3.17Å; E62-R106 PolarHBondContact OE2-NE 2.95Å; E62-R106 VanDerWaalsContact OE2-NE 3.17Å; E62-R106 IonicContact OE2-NH2 2.75Å; E62-R106 PolarHBondContact OE2-NH2 3.38Å; G104-R106 PolarHBondContact O-N 3.02Å; R106-C108 PolarHBondContact O-N 3.42Å; R106-F109 HydrophobicContact CB-CD2 3.77Å; R106-F109 HydrophobicContact CB-CE2 4.06Å; R106-F109 HydrophobicContact CG-CD2 4.44Å; R106-F109 HydrophobicContact CG-CE2 4.32Å; R106-F109 WeakPolarHBondContact O-CB 3.44Å; R106-F109 PolarHBondContact O-N 3.24Å
107V95.1Very high93.1Very high70 Ų7049.7 Ų49.742%0.42426%0.256SS..G310 helixtrans-55.4-39.3176.7177.90000111.3S45 L47 F109 L110S45-V107 PolarHBondContact O-N 3.21Å; L47-V107 HydrophobicContact CD2-CG2 3.83Å; V107-F109 PolarHBondContact O-N 3.49Å; V107-L110 HydrophobicContact CG1-CD1 4.27Å; V107-L110 WeakPolarHBondContact O-CB 3.41Å; V107-L110 WeakPolarHBondContact O-CG 2.84Å; V107-L110 PolarHBondContact O-N 3.29Å
108C94.1Very high93.2Very high68 Ų6845.8 Ų45.846%0.45924%0.236SC..G310 helixtrans-68.21.917663.30000114.6R106 F111R106-C108 PolarHBondContact O-N 3.42Å; C108-F111 VanDerWaalsContact C-CE1 3.5Å; C108-F111 WeakPolarHBondContact O-CE1 3.41Å; C108-F111 WeakPolarHBondContact O-CZ 3.44Å
109F94.7Very high93.3Very high42 Ų4243 Ų4318%0.18422%0.223CC..G310 helixtrans-109-0171.8-60.6-43.7000113.4Y64 P102 N103 R106 V107 F111 R112Y64-F109 HydrophobicContact CE1-CE2 4.26Å; Y64-F109 HydrophobicContact CE1-CZ 4.46Å; P102-F109 HydrophobicContact CB-CB 4.02Å; P102-F109 WeakPolarHBondContact CB-O 3.29Å; N103-F109 HydrophobicContact CB-CB 4.31Å; N103-F109 HydrophobicContact CB-CD1 4.4Å; N103-F109 HydrophobicContact CB-CG 4.28Å; R106-F109 HydrophobicContact CB-CD2 3.77Å; R106-F109 HydrophobicContact CB-CE2 4.06Å; R106-F109 HydrophobicContact CG-CD2 4.44Å; R106-F109 HydrophobicContact CG-CE2 4.32Å; R106-F109 WeakPolarHBondContact O-CB 3.44Å; R106-F109 PolarHBondContact O-N 3.24Å; V107-F109 PolarHBondContact O-N 3.49Å; F109-F111 PolarHBondContact O-N 3.36Å; F109-R112 PolarHBondContact O-N 2.86Å
110L93.2Very high93.6Very high52 Ų5243.8 Ų43.827%0.27222%0.217SC..THydrogen-bonded Turntrans-69.917.2-179.4-66.9179.7000115.1L47 H98 F100 P102 V107L47-L110 HydrophobicContact CD1-CD2 3.83Å; L47-L110 HydrophobicContact CD1-CG 4.46Å; L47-L110 HydrophobicContact CD2-CD1 4.27Å; H98-L110 HydrophobicContact CB-CD2 4.13Å; F100-L110 WeakPolarHBondContact CZ-O 3.46Å; P102-L110 HydrophobicContact CB-CD2 4.44Å; P102-L110 HydrophobicContact CG-CD2 4.31Å; V107-L110 HydrophobicContact CG1-CD1 4.27Å; V107-L110 WeakPolarHBondContact O-CB 3.41Å; V107-L110 WeakPolarHBondContact O-CG 2.84Å; V107-L110 PolarHBondContact O-N 3.29Å
111F91.2Very high93.9Very high140 Ų14042 Ų4261%0.61421%0.209SC*.THydrogen-bonded Turntrans-130.66.1172.652.7-90.6000112.4C108 F109C108-F111 VanDerWaalsContact C-CE1 3.5Å; C108-F111 WeakPolarHBondContact O-CE1 3.41Å; C108-F111 WeakPolarHBondContact O-CZ 3.44Å; F109-F111 PolarHBondContact O-N 3.36Å
112R90.6Very high94.1Very high163 Ų16341.7 Ų41.762%0.61521%0.208SC*.  trans-142133.8179.1-61.2-176.3-177.2-1582.3110.9P102 N103 F109P102-R112 CarbonylContact C-O 3.43Å; P102-R112 VanDerWaalsContact CA-O 3.26Å; P102-R112 WeakPolarHBondContact CA-O 3.28Å; N103-R112 PolarHBondContact N-O 2.84Å; F109-R112 PolarHBondContact O-N 2.86Å
113S90.5Very high94.1Very high39 Ų3944.7 Ų44.727%0.27322%0.219SC..BIsolated β-bridgetrans-103.4-178.7171.1-173.70000111.2I101 W149I101-S113 WeakPolarHBondContact O-CB 3.32Å; I101-S113 PolarHBondContact O-OG 3.13Å; S113-W149 VanDerWaalsContact OG-CH2 3.3Å; S113-W149 WeakPolarHBondContact OG-CH2 3.34Å; S113-W149 WeakPolarHBondContact OG-CZ2 3.02Å
114Q90.3Very high94.2Very high28 Ų2844 Ų4413%0.13122%0.215CC..  trans-126.3175.9170.9-88.6-177.4-21.900110.5Y65 W66 N103Y65-Q114 HydrophobicContact CD1-CB 3.9Å; Y65-Q114 HydrophobicContact CG-CB 4.43Å; W66-Q114 HydrophobicContact CB-CB 4.34Å; W66-Q114 VanDerWaalsContact NE1-NE2 3.17Å; N103-Q114 HydrophobicContact CB-CG 4.16Å; N103-Q114 PolarHBondContact O-OE1 2.96Å; N103-Q114 PolarHBondContact OD1-NE2 3.33Å
115P89.6Confident94.2Very high63 Ų6344.9 Ų44.941%0.40922%0.218SC..  trans-49138179.6-31.437.3000113.5Y65 W66 L117Y65-P115 WeakPolarHBondContact CE1-O 3.48Å; W66-P115 HydrophobicContact CE3-CG 4.48Å; P115-L117 VanDerWaalsContact C-N 3.32Å; P115-L117 HydrophobicContact CB-CG 4.47Å; P115-L117 PolarHBondContact O-N 2.83Å
116P91.1Very high94.1Very high22 Ų2245.2 Ų45.214%0.14322%0.22CC..  trans-77.972.4-167.731.2-37.1000113.6Y65 W149 I160Y65-P116 WeakPolarHBondContact OH-CA 3.27Å; P116-W149 HydrophobicContact CB-CD2 3.9Å; P116-W149 HydrophobicContact CB-CG 3.99Å; P116-W149 HydrophobicContact CB-CZ2 4Å; P116-W149 HydrophobicContact CG-CD2 4.29Å; P116-W149 HydrophobicContact CG-CG 4.41Å; P116-I160 HydrophobicContact CG-CD1 4.14Å; P116-I160 VanDerWaalsContact O-CD1 3.23Å; P116-I160 WeakPolarHBondContact O-CD1 3.43Å
117L94.5Very high94Very high29 Ų2945.7 Ų45.715%0.15223%0.232CC..  trans-90.7-1.9-174.2-65.6172.2000114.7Y65 W66 F69 P115 I119 R120 M121 I160Y65-L117 PolarHBondContact OH-N 3.36Å; Y65-L117 VanDerWaalsContact OH-N 3.1Å; W66-L117 HydrophobicContact CB-CD1 4.02Å; F69-L117 HydrophobicContact CB-CB 4.16Å; F69-L117 HydrophobicContact CB-CD1 3.77Å; F69-L117 HydrophobicContact CD1-CD1 3.97Å; F69-L117 HydrophobicContact CG-CB 4.35Å; F69-L117 HydrophobicContact CG-CD1 3.93Å; P115-L117 VanDerWaalsContact C-N 3.32Å; P115-L117 HydrophobicContact CB-CG 4.47Å; P115-L117 PolarHBondContact O-N 2.83Å; L117-I119 PolarHBondContact O-N 2.9Å; L117-R120 CarbonylContact O-C 3.58Å; L117-R120 WeakPolarHBondContact O-CA 3.3Å; L117-R120 WeakPolarHBondContact O-CB 3.46Å; L117-R120 PolarHBondContact O-N 2.93Å; L117-M121 HydrophobicContact CB-CE 3.9Å; L117-M121 WeakPolarHBondContact O-CG 3.43Å; L117-M121 PolarHBondContact O-N 3.28Å; L117-I160 HydrophobicContact CD2-CD1 4.45Å
118F95.1Very high94Very high4 Ų446 Ų462%0.01823%0.234CC..Hα-helixtrans-53.4-53.2-176.8179-117.4000113.8Y65 I88 L91 A92 I101 R120 M121 V122 A141 M142Y65-F118 HydrophobicContact CE2-CB 4.17Å; Y65-F118 VanDerWaalsContact OH-CB 3.3Å; Y65-F118 WeakPolarHBondContact OH-CB 3.23Å; Y65-F118 PolarHBondContact OH-N 3.42Å; I88-F118 HydrophobicContact CG2-CE2 3.79Å; I88-F118 HydrophobicContact CG2-CZ 4.43Å; L91-F118 HydrophobicContact CB-CD2 3.88Å; L91-F118 HydrophobicContact CB-CE2 3.94Å; L91-F118 HydrophobicContact CD1-CD2 4.17Å; A92-F118 HydrophobicContact CB-CE2 4.42Å; A92-F118 HydrophobicContact CB-CZ 4.04Å; I101-F118 HydrophobicContact CD1-CB 3.75Å; I101-F118 HydrophobicContact CD1-CD2 4.06Å; I101-F118 HydrophobicContact CD1-CG 3.97Å; F118-R120 PolarHBondContact O-N 3.28Å; F118-M121 WeakPolarHBondContact O-CB 3.23Å; F118-M121 PolarHBondContact O-N 3.49Å; F118-V122 HydrophobicContact CE2-CG2 4.49Å; F118-V122 HydrophobicContact CZ-CG2 4.43Å; F118-V122 PolarHBondContact O-N 2.78Å; F118-V122 VanDerWaalsContact O-N 3.14Å; F118-A141 HydrophobicContact CE1-CB 4.34Å; F118-M142 HydrophobicContact CD1-CG 4.05Å; F118-M142 HydrophobicContact CE1-CG 3.68Å
119I95Very high94Very high9 Ų945.3 Ų45.35%0.04623%0.228CC..Hα-helixtrans-59.7-37177.7-65.3165.9000111L117 M121 V122 Y123 M142 F146 I160 F164 L167L117-I119 PolarHBondContact O-N 2.9Å; I119-M121 VanDerWaalsContact C-N 3.34Å; I119-V122 PolarHBondContact O-N 3.1Å; I119-Y123 WeakPolarHBondContact O-CB 3.37Å; I119-Y123 PolarHBondContact O-N 3.46Å; I119-M142 HydrophobicContact CB-SD 4.38Å; I119-M142 HydrophobicContact CG1-CB 3.94Å; I119-M142 HydrophobicContact CG1-CG 3.9Å; I119-M142 HydrophobicContact CG1-SD 4.14Å; I119-M142 HydrophobicContact CG2-SD 4.25Å; I119-F146 HydrophobicContact CD1-CB 3.92Å; I119-F146 HydrophobicContact CD1-CD2 3.75Å; I119-F146 HydrophobicContact CD1-CG 4.27Å; I119-I160 HydrophobicContact CB-CG2 4.29Å; I119-I160 HydrophobicContact CD1-CG2 4.33Å; I119-F164 HydrophobicContact CD1-CB 4.37Å; I119-F164 HydrophobicContact CD1-CD2 3.93Å; I119-F164 HydrophobicContact CD1-CE2 4.38Å; I119-F164 HydrophobicContact CD1-CG 4.05Å; I119-F164 HydrophobicContact CG1-CD2 4.29Å; I119-F164 HydrophobicContact CG2-CB 3.81Å; I119-F164 HydrophobicContact CG2-CD2 3.87Å; I119-F164 HydrophobicContact CG2-CG 4.21Å; I119-L167 HydrophobicContact CG2-CD1 4.17Å
120R95.5Very high93.9Very high49 Ų4945.8 Ų45.819%0.18525%0.245CC..Hα-helixtrans-68.5-35.9179-173.159.8-175.8-98.81.3111.4F69 L117 F118 Y123 E124F69-R120 HydrophobicContact CD2-CG 4.35Å; F69-R120 HydrophobicContact CE2-CB 4.34Å; F69-R120 HydrophobicContact CE2-CG 3.56Å; F69-R120 HydrophobicContact CZ-CG 4.03Å; L117-R120 CarbonylContact O-C 3.58Å; L117-R120 WeakPolarHBondContact O-CA 3.3Å; L117-R120 WeakPolarHBondContact O-CB 3.46Å; L117-R120 PolarHBondContact O-N 2.93Å; F118-R120 PolarHBondContact O-N 3.28Å; R120-Y123 PolarHBondContact O-N 3.29Å; R120-E124 IonicContact CZ-OE1 2.71Å; R120-E124 IonicContact NE-OE1 2.75Å; R120-E124 PolarHBondContact NE-OE1 3.1Å; R120-E124 IonicContact NH2-OE1 3.18Å; R120-E124 PolarHBondContact NH2-OE1 3.18Å; R120-E124 VanDerWaalsContact O-CG 3.27Å; R120-E124 WeakPolarHBondContact O-CG 3.41Å; R120-E124 PolarHBondContact O-N 3.37Å
121M96.9Very high93.9Very high0 Ų046 Ų460%025%0.246CC..Hα-helixtrans-63.3-44.9174.3-63.7167.1-165.400111.6Y65 T68 F69 I72 I88 L91 L117 F118 I119 Y123 E124 Y125Y65-M121 HydrophobicContact CD2-CE 3.83Å; Y65-M121 HydrophobicContact CE2-CE 3.72Å; Y65-M121 VanDerWaalsContact O-CE 3.25Å; Y65-M121 WeakPolarHBondContact O-CE 3.42Å; T68-M121 HydrophobicContact CG2-CE 4.26Å; T68-M121 HydrophobicContact CG2-SD 4.07Å; F69-M121 HydrophobicContact CB-CE 3.66Å; F69-M121 HydrophobicContact CB-CG 4.18Å; F69-M121 HydrophobicContact CD2-CG 3.89Å; I72-M121 HydrophobicContact CD1-CB 3.87Å; I72-M121 HydrophobicContact CD1-CG 3.87Å; I72-M121 HydrophobicContact CD1-SD 3.95Å; I88-M121 HydrophobicContact CD1-CB 4.25Å; I88-M121 HydrophobicContact CG1-CB 4.21Å; L91-M121 HydrophobicContact CD1-CE 3.97Å; L91-M121 HydrophobicContact CD1-SD 3.38Å; L91-M121 WeakPolarHBondContact CD1-SD 3.44Å; L117-M121 HydrophobicContact CB-CE 3.9Å; L117-M121 WeakPolarHBondContact O-CG 3.43Å; L117-M121 PolarHBondContact O-N 3.28Å; F118-M121 WeakPolarHBondContact O-CB 3.23Å; F118-M121 PolarHBondContact O-N 3.49Å; I119-M121 VanDerWaalsContact C-N 3.34Å; M121-Y123 VanDerWaalsContact C-N 3.33Å; M121-Y123 PolarHBondContact O-N 3.5Å; M121-E124 PolarHBondContact O-N 3.48Å; M121-Y125 PolarHBondContact O-N 2.71Å; M121-Y125 VanDerWaalsContact O-N 3.09Å
122V97.1Very high94Very high0 Ų041.9 Ų41.90%023%0.23CC..Hα-helixtrans-59.2-47174.8179.50000110.1I88 F118 I119 E124 Y125 V126 F134 A135 L138 M142 L167I88-V122 HydrophobicContact CG2-CG2 3.75Å; F118-V122 HydrophobicContact CE2-CG2 4.49Å; F118-V122 HydrophobicContact CZ-CG2 4.43Å; F118-V122 PolarHBondContact O-N 2.78Å; F118-V122 VanDerWaalsContact O-N 3.14Å; I119-V122 PolarHBondContact O-N 3.1Å; V122-E124 PolarHBondContact O-N 3.28Å; V122-Y125 PolarHBondContact O-N 3.31Å; V122-V126 HydrophobicContact CG1-CG2 4.08Å; V122-V126 WeakPolarHBondContact O-CG2 3.32Å; V122-V126 PolarHBondContact O-N 3.3Å; V122-F134 HydrophobicContact CG1-CE1 4.47Å; V122-A135 HydrophobicContact CG1-CB 4.34Å; V122-L138 HydrophobicContact CG2-CD1 3.96Å; V122-M142 HydrophobicContact CB-SD 3.76Å; V122-M142 HydrophobicContact CG1-CE 3.97Å; V122-M142 HydrophobicContact CG1-SD 3.83Å; V122-M142 HydrophobicContact CG2-CG 4.49Å; V122-M142 HydrophobicContact CG2-SD 3.78Å; V122-L167 HydrophobicContact CB-CD1 4.32Å; V122-L167 HydrophobicContact CG1-CD1 4.06Å
123Y96.4Very high94.1Very high62 Ų6239.3 Ų39.324%0.24323%0.229CC..Hα-helixtrans-58.5-46.9178179.1-85000113.2I119 R120 M121 Y125 V126 S127 A163 H166 L167I119-Y123 WeakPolarHBondContact O-CB 3.37Å; I119-Y123 PolarHBondContact O-N 3.46Å; R120-Y123 PolarHBondContact O-N 3.29Å; M121-Y123 VanDerWaalsContact C-N 3.33Å; M121-Y123 PolarHBondContact O-N 3.5Å; Y123-Y125 VanDerWaalsContact C-N 3.33Å; Y123-Y125 PolarHBondContact O-N 3.25Å; Y123-V126 PolarHBondContact O-N 2.97Å; Y123-S127 WeakPolarHBondContact CE1-OG 3.37Å; Y123-S127 VanDerWaalsContact O-CB 3.25Å; Y123-S127 WeakPolarHBondContact O-CB 3.36Å; Y123-S127 PolarHBondContact O-N 3.04Å; Y123-S127 PolarHBondContact O-OG 3.22Å; Y123-A163 HydrophobicContact CD1-CB 4.38Å; Y123-A163 HydrophobicContact CD2-CB 3.72Å; Y123-A163 HydrophobicContact CE2-CB 4.37Å; Y123-A163 HydrophobicContact CG-CB 3.73Å; Y123-H166 HydrophobicContact CD2-CB 4.45Å; Y123-H166 HydrophobicContact CE2-CB 3.9Å; Y123-H166 AromaticContact CE2-CG 3.91Å; Y123-H166 AromaticContact CE2-ND1 3.4Å; Y123-H166 WeakPolarHBondContact CE2-ND1 3.46Å; Y123-L167 HydrophobicContact CD2-CD2 4.48Å; Y123-L167 HydrophobicContact CD2-CG 4.21Å
124E96.2Very high94.3Very high27 Ų2737.8 Ų37.813%0.12622%0.217CC..Hα-helixtrans-64.4-39.1179.9-63.1-77.7147.500111.2F69 K73 L76 R120 M121 V122 V128F69-E124 HydrophobicContact CE2-CG 3.96Å; K73-E124 WeakPolarHBondContact CE-OE2 3.38Å; K73-E124 IonicContact NZ-OE2 3.58Å; L76-E124 HydrophobicContact CD1-CB 4.05Å; R120-E124 IonicContact CZ-OE1 2.71Å; R120-E124 IonicContact NE-OE1 2.75Å; R120-E124 PolarHBondContact NE-OE1 3.1Å; R120-E124 IonicContact NH2-OE1 3.18Å; R120-E124 PolarHBondContact NH2-OE1 3.18Å; R120-E124 VanDerWaalsContact O-CG 3.27Å; R120-E124 WeakPolarHBondContact O-CG 3.41Å; R120-E124 PolarHBondContact O-N 3.37Å; M121-E124 PolarHBondContact O-N 3.48Å; V122-E124 PolarHBondContact O-N 3.28Å; E124-V128 WeakPolarHBondContact O-CG2 3.46Å; E124-V128 PolarHBondContact O-N 3Å
125Y97Very high94.4Very high19 Ų1936.6 Ų36.68%0.07521%0.212CC..Hα-helixtrans-61.2-55.7175.7177.2-105.3000111.3L76 V84 P85 I88 M121 V122 Y123 S127 V128 T129 D131 F134L76-Y125 HydrophobicContact CD2-CD2 4.14Å; V84-Y125 HydrophobicContact CB-CD2 3.92Å; V84-Y125 HydrophobicContact CB-CE2 4.28Å; V84-Y125 HydrophobicContact CG1-CD2 3.45Å; V84-Y125 VanDerWaalsContact CG1-CD2 3.45Å; V84-Y125 HydrophobicContact CG1-CE2 4.25Å; V84-Y125 HydrophobicContact CG1-CG 4.02Å; P85-Y125 HydrophobicContact CG-CD2 4.48Å; P85-Y125 HydrophobicContact CG-CE1 4.14Å; P85-Y125 HydrophobicContact CG-CE2 3.62Å; P85-Y125 VanDerWaalsContact CG-CZ 3.43Å; P85-Y125 VanDerWaalsContact CG-OH 3.27Å; P85-Y125 WeakPolarHBondContact CG-OH 3.25Å; I88-Y125 HydrophobicContact CD1-CG 4.44Å; M121-Y125 PolarHBondContact O-N 2.71Å; M121-Y125 VanDerWaalsContact O-N 3.09Å; V122-Y125 PolarHBondContact O-N 3.31Å; Y123-Y125 VanDerWaalsContact C-N 3.33Å; Y123-Y125 PolarHBondContact O-N 3.25Å; Y125-S127 VanDerWaalsContact C-N 3.29Å; Y125-S127 PolarHBondContact O-N 3.41Å; Y125-V128 PolarHBondContact O-N 3.45Å; Y125-T129 HydrophobicContact CD2-CG2 3.97Å; Y125-T129 HydrophobicContact CE1-CG2 4.45Å; Y125-T129 HydrophobicContact CE2-CG2 3.52Å; Y125-T129 PolarHBondContact O-N 3.36Å; Y125-T129 PolarHBondContact O-OG1 2.99Å; Y125-T129 VanDerWaalsContact O-OG1 3.04Å; Y125-D131 HydrophobicContact CE1-CB 3.95Å; Y125-F134 AromaticContact CD1-CD1 3.45Å; Y125-F134 HydrophobicContact CD1-CD1 3.45Å; Y125-F134 VanDerWaalsContact CD1-CD1 3.45Å; Y125-F134 AromaticContact CD1-CE1 3.71Å; Y125-F134 HydrophobicContact CD1-CE1 3.71Å; Y125-F134 HydrophobicContact CD1-CG 4.06Å; Y125-F134 HydrophobicContact CD1-CZ 4.5Å; Y125-F134 HydrophobicContact CE1-CB 4.14Å; Y125-F134 AromaticContact CE1-CD1 3.68Å; Y125-F134 HydrophobicContact CE1-CD1 3.68Å; Y125-F134 HydrophobicContact CE1-CD2 4.31Å; Y125-F134 HydrophobicContact CE1-CE1 4.14Å; Y125-F134 AromaticContact CE1-CG 3.78Å; Y125-F134 HydrophobicContact CE1-CG 3.78Å; Y125-F134 HydrophobicContact CG-CE1 4.47Å
126V95.8Very high94.6Very high6 Ų635.4 Ų35.44%0.03620%0.204CC..Hα-helixtrans-62.8-36.2-177.1177.40000111.6V122 Y123 V128 G130 L132 A135 L167V122-V126 HydrophobicContact CG1-CG2 4.08Å; V122-V126 WeakPolarHBondContact O-CG2 3.32Å; V122-V126 PolarHBondContact O-N 3.3Å; Y123-V126 PolarHBondContact O-N 2.97Å; V126-V128 PolarHBondContact O-N 3.06Å; V126-G130 WeakPolarHBondContact O-CA 3.44Å; V126-G130 PolarHBondContact O-N 3.46Å; V126-L132 HydrophobicContact CG1-CD2 3.75Å; V126-A135 HydrophobicContact CG2-CB 3.76Å; V126-L167 HydrophobicContact CB-CD2 4.28Å; V126-L167 HydrophobicContact CG1-CD2 4.31Å; V126-L167 HydrophobicContact CG2-CD2 4.27Å
127S94.4Very high94.7Very high67 Ų6740 Ų4047%0.46923%0.227SC..Hα-helixtrans-65.7-26.2178.1-59.90000113Y123 Y125Y123-S127 WeakPolarHBondContact CE1-OG 3.37Å; Y123-S127 VanDerWaalsContact O-CB 3.25Å; Y123-S127 WeakPolarHBondContact O-CB 3.36Å; Y123-S127 PolarHBondContact O-N 3.04Å; Y123-S127 PolarHBondContact O-OG 3.22Å; Y125-S127 VanDerWaalsContact C-N 3.29Å; Y125-S127 PolarHBondContact O-N 3.41Å
128V94.3Very high94.7Very high78 Ų7839.3 Ų39.347%0.47322%0.224SC..Hα-helixtrans-92.3-38.1179.1174.40000111.3L76 F81 E124 Y125 V126L76-V128 HydrophobicContact CD1-CG2 4.26Å; L76-V128 HydrophobicContact CD2-CB 4.43Å; L76-V128 HydrophobicContact CD2-CG1 4.38Å; F81-V128 HydrophobicContact CD1-CG1 4.36Å; F81-V128 HydrophobicContact CE1-CG1 3.6Å; F81-V128 HydrophobicContact CZ-CG1 4.16Å; E124-V128 WeakPolarHBondContact O-CG2 3.46Å; E124-V128 PolarHBondContact O-N 3Å; Y125-V128 PolarHBondContact O-N 3.45Å; V126-V128 PolarHBondContact O-N 3.06Å
129T94Very high94.6Very high52 Ų5239.2 Ų39.232%0.31922%0.223SC..Hα-helixtrans-97.3-21.4-173.461.80000114.6F81 Y125 D131F81-T129 HydrophobicContact CD1-CG2 4.39Å; Y125-T129 HydrophobicContact CD2-CG2 3.97Å; Y125-T129 HydrophobicContact CE1-CG2 4.45Å; Y125-T129 HydrophobicContact CE2-CG2 3.52Å; Y125-T129 PolarHBondContact O-N 3.36Å; Y125-T129 PolarHBondContact O-OG1 2.99Å; Y125-T129 VanDerWaalsContact O-OG1 3.04Å; T129-D131 PolarHBondContact O-N 2.93Å; T129-D131 WeakPolarHBondContact OG1-CB 3.18Å; T129-D131 PolarHBondContact OG1-N 3.47Å
130G93Very high94.2Very high53 Ų5342 Ų4255%0.54625%0.248SC..  trans70.98.9-170.200000114.3V126 L132V126-G130 WeakPolarHBondContact O-CA 3.44Å; V126-G130 PolarHBondContact O-N 3.46Å; G130-L132 PolarHBondContact O-N 3.12Å
131D93.9Very high93.9Very high55 Ų5540.3 Ų40.329%0.29424%0.244SC..  trans-75.384-176.2-172.5-10.7000111.5Y125 T129 D133 F134Y125-D131 HydrophobicContact CE1-CB 3.95Å; T129-D131 PolarHBondContact O-N 2.93Å; T129-D131 WeakPolarHBondContact OG1-CB 3.18Å; T129-D131 PolarHBondContact OG1-N 3.47Å; D131-D133 PolarHBondContact OD1-N 2.79Å; D131-F134 HydrophobicContact CB-CB 4.19Å; D131-F134 VanDerWaalsContact CG-CB 3.4Å; D131-F134 WeakPolarHBondContact OD1-CB 3.31Å; D131-F134 PolarHBondContact OD1-N 3.09Å; D131-F134 WeakPolarHBondContact OD2-CB 3.4Å
132L92.4Very high93.7Very high54 Ų5440.3 Ų40.328%0.28324%0.244SC..Hα-helixtrans-72.1-28.6-179-61.8-173.6000113V126 G130 F134 A135 T136 L170 A174V126-L132 HydrophobicContact CG1-CD2 3.75Å; G130-L132 PolarHBondContact O-N 3.12Å; L132-F134 VanDerWaalsContact C-N 3.32Å; L132-A135 WeakPolarHBondContact O-CB 3.25Å; L132-A135 PolarHBondContact O-N 3Å; L132-T136 WeakPolarHBondContact O-CB 3.06Å; L132-T136 PolarHBondContact O-N 3.27Å; L132-T136 PolarHBondContact O-OG1 3.05Å; L132-L170 HydrophobicContact CD2-CB 3.96Å; L132-L170 HydrophobicContact CD2-CD1 3.89Å; L132-L170 HydrophobicContact CD2-CG 4.37Å; L132-A174 HydrophobicContact CD1-CB 4.25Å
133D93.2Very high93.3Very high109 Ų10943.7 Ų43.758%0.58326%0.26SS*.Hα-helixtrans-64.1-42.7177.3-70.2-23.4000109.9D131 A135 T136 D137D131-D133 PolarHBondContact OD1-N 2.79Å; D133-A135 VanDerWaalsContact C-N 3.3Å; D133-A135 PolarHBondContact O-N 3.07Å; D133-T136 WeakPolarHBondContact O-CB 3.19Å; D133-T136 PolarHBondContact O-N 3.41Å; D133-D137 PolarHBondContact O-N 3.37Å
134F94.1Very high92.8Very high8 Ų845.1 Ų45.14%0.03527%0.269CS..Hα-helixtrans-58.2-40.3174.2-177-94000113.3P85 I88 K89 V122 Y125 D131 L132 T136 L138P85-F134 HydrophobicContact CB-CD2 4.34Å; P85-F134 HydrophobicContact CB-CE2 3.69Å; P85-F134 HydrophobicContact CB-CZ 4.23Å; P85-F134 HydrophobicContact CG-CE2 4.49Å; I88-F134 HydrophobicContact CB-CE1 4.38Å; I88-F134 HydrophobicContact CB-CZ 3.87Å; I88-F134 HydrophobicContact CD1-CE1 3.97Å; I88-F134 HydrophobicContact CD1-CZ 4.15Å; I88-F134 HydrophobicContact CG2-CE1 3.98Å; I88-F134 HydrophobicContact CG2-CZ 3.74Å; K89-F134 HydrophobicContact CD-CE2 4.36Å; K89-F134 HydrophobicContact CG-CE2 4.11Å; V122-F134 HydrophobicContact CG1-CE1 4.47Å; Y125-F134 AromaticContact CD1-CD1 3.45Å; Y125-F134 HydrophobicContact CD1-CD1 3.45Å; Y125-F134 VanDerWaalsContact CD1-CD1 3.45Å; Y125-F134 AromaticContact CD1-CE1 3.71Å; Y125-F134 HydrophobicContact CD1-CE1 3.71Å; Y125-F134 HydrophobicContact CD1-CG 4.06Å; Y125-F134 HydrophobicContact CD1-CZ 4.5Å; Y125-F134 HydrophobicContact CE1-CB 4.14Å; Y125-F134 AromaticContact CE1-CD1 3.68Å; Y125-F134 HydrophobicContact CE1-CD1 3.68Å; Y125-F134 HydrophobicContact CE1-CD2 4.31Å; Y125-F134 HydrophobicContact CE1-CE1 4.14Å; Y125-F134 AromaticContact CE1-CG 3.78Å; Y125-F134 HydrophobicContact CE1-CG 3.78Å; Y125-F134 HydrophobicContact CG-CE1 4.47Å; D131-F134 HydrophobicContact CB-CB 4.19Å; D131-F134 VanDerWaalsContact CG-CB 3.4Å; D131-F134 WeakPolarHBondContact OD1-CB 3.31Å; D131-F134 PolarHBondContact OD1-N 3.09Å; D131-F134 WeakPolarHBondContact OD2-CB 3.4Å; L132-F134 VanDerWaalsContact C-N 3.32Å; F134-T136 VanDerWaalsContact C-N 3.34Å; F134-L138 HydrophobicContact CD1-CD1 4.23Å; F134-L138 HydrophobicContact CE1-CD1 3.57Å; F134-L138 HydrophobicContact CE2-CD1 4.19Å; F134-L138 HydrophobicContact CZ-CD1 3.54Å; F134-L138 PolarHBondContact O-N 3.38Å
135A93.9Very high92.1Very high3 Ų344.2 Ų44.23%0.02526%0.264CS..Hα-helixtrans-65.9-39.4174.700000112.1V122 V126 L132 D133 L138 M139 M142 L167V122-A135 HydrophobicContact CG1-CB 4.34Å; V126-A135 HydrophobicContact CG2-CB 3.76Å; L132-A135 WeakPolarHBondContact O-CB 3.25Å; L132-A135 PolarHBondContact O-N 3Å; D133-A135 VanDerWaalsContact C-N 3.3Å; D133-A135 PolarHBondContact O-N 3.07Å; A135-L138 PolarHBondContact O-N 2.86Å; A135-M139 PolarHBondContact O-N 3.22Å; A135-M139 VanDerWaalsContact O-N 3.13Å; A135-M142 WeakPolarHBondContact O-CE 3.47Å; A135-L167 HydrophobicContact CB-CD2 4.03Å
136T92.9Very high91.6Very high37 Ų3744.4 Ų44.423%0.22727%0.266CS..Hα-helixtrans-66.9-44.9-177.8-62.50000110.9L132 D133 F134 L138 M139 K171L132-T136 WeakPolarHBondContact O-CB 3.06Å; L132-T136 PolarHBondContact O-N 3.27Å; L132-T136 PolarHBondContact O-OG1 3.05Å; D133-T136 WeakPolarHBondContact O-CB 3.19Å; D133-T136 PolarHBondContact O-N 3.41Å; F134-T136 VanDerWaalsContact C-N 3.34Å; T136-L138 VanDerWaalsContact C-N 3.26Å; T136-L138 PolarHBondContact O-N 3.49Å; T136-M139 VanDerWaalsContact O-CB 3.28Å; T136-M139 WeakPolarHBondContact O-CB 3.33Å; T136-M139 PolarHBondContact O-N 3.08Å; T136-M139 VanDerWaalsContact O-N 3.14Å; T136-K171 HydrophobicContact CG2-CD 4.25Å; T136-K171 HydrophobicContact CG2-CG 4.21Å
137D93.1Very high91.1Very high120 Ų12048.1 Ų48.164%0.64229%0.285SS*.Hα-helixtrans-57.5-38.2176.2-76.5-8000112.3D133D133-D137 PolarHBondContact O-N 3.37Å
138L94Very high90.6Very high14 Ų1447.6 Ų47.67%0.07328%0.275CS..THydrogen-bonded Turntrans-90.9-1-178.6-65.7179.9000114I88 A92 V122 F134 A135 T136 A140 A141 M142I88-L138 HydrophobicContact CG2-CD1 3.47Å; I88-L138 VanDerWaalsContact CG2-CD1 3.47Å; A92-L138 HydrophobicContact CB-CD2 3.77Å; V122-L138 HydrophobicContact CG2-CD1 3.96Å; F134-L138 HydrophobicContact CD1-CD1 4.23Å; F134-L138 HydrophobicContact CE1-CD1 3.57Å; F134-L138 HydrophobicContact CE2-CD1 4.19Å; F134-L138 HydrophobicContact CZ-CD1 3.54Å; F134-L138 PolarHBondContact O-N 3.38Å; A135-L138 PolarHBondContact O-N 2.86Å; T136-L138 VanDerWaalsContact C-N 3.26Å; T136-L138 PolarHBondContact O-N 3.49Å; L138-A140 VanDerWaalsContact C-N 3.33Å; L138-A140 PolarHBondContact O-N 2.67Å; L138-A141 PolarHBondContact O-N 3.23Å; L138-M142 HydrophobicContact CB-CE 4.34Å; L138-M142 WeakPolarHBondContact O-CG 3.27Å; L138-M142 PolarHBondContact O-N 2.94Å
139M92.6Very high90.1Very high1 Ų145.6 Ų45.61%0.00526%0.259CS..Hα-helixtrans-60-42.5-171.9-171.262.764.500112.5A135 T136 A141 M142 E143 F164 L167 K168 K171A135-M139 PolarHBondContact O-N 3.22Å; A135-M139 VanDerWaalsContact O-N 3.13Å; T136-M139 VanDerWaalsContact O-CB 3.28Å; T136-M139 WeakPolarHBondContact O-CB 3.33Å; T136-M139 PolarHBondContact O-N 3.08Å; T136-M139 VanDerWaalsContact O-N 3.14Å; M139-A141 PolarHBondContact O-N 3.02Å; M139-M142 HydrophobicContact CB-CE 4.5Å; M139-M142 HydrophobicContact CE-CE 4.05Å; M139-M142 PolarHBondContact O-N 3.29Å; M139-M142 HydrophobicContact SD-CE 4.02Å; M139-E143 HydrophobicContact CG-CG 4.47Å; M139-E143 WeakPolarHBondContact O-CG 3.38Å; M139-E143 PolarHBondContact O-N 3.13Å; M139-F164 HydrophobicContact SD-CE2 3.99Å; M139-L167 HydrophobicContact CE-CB 4.13Å; M139-K168 HydrophobicContact CE-CG 4.46Å; M139-K168 HydrophobicContact SD-CG 3.97Å; M139-K171 HydrophobicContact CB-CD 4.07Å; M139-K171 HydrophobicContact CE-CB 3.97Å; M139-K171 HydrophobicContact CE-CD 3.87Å; M139-K171 HydrophobicContact CG-CD 3.76Å
140A88.1Confident89.7Confident69 Ų6947.5 Ų47.557%0.5727%0.266SS*.Hα-helixtrans-60.9-46.5179.700000111.6L138 M142 E143 E144L138-A140 VanDerWaalsContact C-N 3.33Å; L138-A140 PolarHBondContact O-N 2.67Å; A140-M142 VanDerWaalsContact C-N 3.32Å; A140-M142 PolarHBondContact O-N 2.97Å; A140-E143 PolarHBondContact O-N 2.76Å; A140-E144 PolarHBondContact O-N 2.94Å
141A88.5Confident89.3Confident13 Ų1353.7 Ų53.711%0.10727%0.273CS..Hα-helixtrans-62.7-38.9176.400000111.9F118 L138 M139 K145F118-A141 HydrophobicContact CE1-CB 4.34Å; L138-A141 PolarHBondContact O-N 3.23Å; M139-A141 PolarHBondContact O-N 3.02Å; A141-K145 WeakPolarHBondContact O-CG 3.41Å; A141-K145 PolarHBondContact O-N 3.34Å; A141-K145 VanDerWaalsContact O-N 3.13Å
142M92.9Very high88.7Confident0 Ų055.6 Ų55.60%028%0.284CS..Hα-helixtrans-65.4-44.3176.3-72.8-169.2-70.500112.6F118 I119 V122 A135 L138 M139 A140 K145 F146 F164 L167F118-M142 HydrophobicContact CD1-CG 4.05Å; F118-M142 HydrophobicContact CE1-CG 3.68Å; I119-M142 HydrophobicContact CB-SD 4.38Å; I119-M142 HydrophobicContact CG1-CB 3.94Å; I119-M142 HydrophobicContact CG1-CG 3.9Å; I119-M142 HydrophobicContact CG1-SD 4.14Å; I119-M142 HydrophobicContact CG2-SD 4.25Å; V122-M142 HydrophobicContact CB-SD 3.76Å; V122-M142 HydrophobicContact CG1-CE 3.97Å; V122-M142 HydrophobicContact CG1-SD 3.83Å; V122-M142 HydrophobicContact CG2-CG 4.49Å; V122-M142 HydrophobicContact CG2-SD 3.78Å; A135-M142 WeakPolarHBondContact O-CE 3.47Å; L138-M142 HydrophobicContact CB-CE 4.34Å; L138-M142 WeakPolarHBondContact O-CG 3.27Å; L138-M142 PolarHBondContact O-N 2.94Å; M139-M142 HydrophobicContact CB-CE 4.5Å; M139-M142 HydrophobicContact CE-CE 4.05Å; M139-M142 PolarHBondContact O-N 3.29Å; M139-M142 HydrophobicContact SD-CE 4.02Å; A140-M142 VanDerWaalsContact C-N 3.32Å; A140-M142 PolarHBondContact O-N 2.97Å; M142-K145 PolarHBondContact O-N 3.1Å; M142-F146 WeakPolarHBondContact O-CB 3.27Å; M142-F146 PolarHBondContact O-N 2.83Å; M142-F164 HydrophobicContact CB-CD2 4.36Å; M142-F164 HydrophobicContact CB-CE2 3.72Å; M142-L167 HydrophobicContact CE-CD1 4.12Å; M142-L167 HydrophobicContact SD-CD1 3.85Å
143E89.6Confident87.8Confident70 Ų7056.1 Ų56.133%0.32730%0.302SS..Hα-helixtrans-58.5-52.1175.5-78.5178.6152.600111.5M139 A140 K145 F146 D147 F164 K168M139-E143 HydrophobicContact CG-CG 4.47Å; M139-E143 WeakPolarHBondContact O-CG 3.38Å; M139-E143 PolarHBondContact O-N 3.13Å; A140-E143 PolarHBondContact O-N 2.76Å; E143-K145 VanDerWaalsContact C-N 3.29Å; E143-K145 PolarHBondContact O-N 3.39Å; E143-F146 PolarHBondContact O-N 3Å; E143-D147 PolarHBondContact O-N 3.32Å; E143-F164 HydrophobicContact CB-CZ 4.23Å; E143-F164 HydrophobicContact CG-CE1 4.48Å; E143-F164 HydrophobicContact CG-CE2 4.31Å; E143-F164 HydrophobicContact CG-CZ 3.55Å; E143-K168 WeakPolarHBondContact OE1-CE 3.3Å; E143-K168 IonicContact OE1-NZ 2.75Å; E143-K168 PolarHBondContact OE1-NZ 3.44Å
144E84.8Confident87.1Confident93 Ų9353 Ų5344%0.43529%0.289SS..Hα-helixtrans-59.3-42-178.7-164.8-154.8138.600111.8A140 F148A140-E144 PolarHBondContact O-N 2.94Å; E144-F148 WeakPolarHBondContact O-CB 3.37Å; E144-F148 PolarHBondContact O-N 3.04Å
145K82.6Confident86.3Confident7 Ų759.4 Ų59.43%0.0333%0.329CS..Hα-helixtrans-71-41.4178.9-70-40.285.2161.30112V95 G99 A141 M142 E143 D147 F148 W149V95-K145 HydrophobicContact CB-CD 4.4Å; V95-K145 HydrophobicContact CG1-CD 3.52Å; V95-K145 VanDerWaalsContact CG1-CE 3.43Å; V95-K145 HydrophobicContact CG1-CG 3.99Å; V95-K145 HydrophobicContact CG2-CD 3.91Å; V95-K145 HydrophobicContact CG2-CG 4.02Å; G99-K145 PolarHBondContact O-NZ 3.28Å; A141-K145 WeakPolarHBondContact O-CG 3.41Å; A141-K145 PolarHBondContact O-N 3.34Å; A141-K145 VanDerWaalsContact O-N 3.13Å; M142-K145 PolarHBondContact O-N 3.1Å; E143-K145 VanDerWaalsContact C-N 3.29Å; E143-K145 PolarHBondContact O-N 3.39Å; K145-D147 VanDerWaalsContact C-N 3.26Å; K145-D147 PolarHBondContact O-N 3.46Å; K145-F148 WeakPolarHBondContact O-CB 3.32Å; K145-F148 PolarHBondContact O-N 3.31Å; K145-W149 PolarHBondContact O-N 3.05Å
146F85.7Confident85.6Confident24 Ų2460.2 Ų60.211%0.10533%0.334CS..Hα-helixtrans-56.1-46.5176.2-168-102.6000110.6I119 M142 E143 W149 L150 V156 T161 F164I119-F146 HydrophobicContact CD1-CB 3.92Å; I119-F146 HydrophobicContact CD1-CD2 3.75Å; I119-F146 HydrophobicContact CD1-CG 4.27Å; M142-F146 WeakPolarHBondContact O-CB 3.27Å; M142-F146 PolarHBondContact O-N 2.83Å; E143-F146 PolarHBondContact O-N 3Å; F146-W149 PolarHBondContact O-N 3.49Å; F146-L150 HydrophobicContact CD1-CD1 3.74Å; F146-L150 HydrophobicContact CD1-CG 4.33Å; F146-L150 HydrophobicContact CE1-CD1 3.45Å; F146-L150 VanDerWaalsContact CE1-CD1 3.45Å; F146-L150 HydrophobicContact CE1-CG 4.17Å; F146-L150 HydrophobicContact CZ-CD1 4.23Å; F146-L150 WeakPolarHBondContact O-CG 3.26Å; F146-L150 PolarHBondContact O-N 3.27Å; F146-V156 HydrophobicContact CD2-CG1 4.45Å; F146-V156 HydrophobicContact CE2-CG1 3.9Å; F146-T161 HydrophobicContact CZ-CG2 4.09Å; F146-F164 HydrophobicContact CB-CD1 4.16Å; F146-F164 HydrophobicContact CB-CE1 3.79Å; F146-F164 HydrophobicContact CB-CZ 4.23Å; F146-F164 AromaticContact CD1-CD1 3.82Å; F146-F164 HydrophobicContact CD1-CD1 3.82Å; F146-F164 AromaticContact CD1-CE1 3.74Å; F146-F164 HydrophobicContact CD1-CE1 3.74Å; F146-F164 AromaticContact CD2-CD1 3.8Å; F146-F164 HydrophobicContact CD2-CD1 3.8Å; F146-F164 HydrophobicContact CD2-CE1 4.29Å; F146-F164 HydrophobicContact CD2-CG 4.33Å; F146-F164 HydrophobicContact CE1-CD1 4.1Å; F146-F164 HydrophobicContact CE1-CE1 4.37Å; F146-F164 HydrophobicContact CE2-CD1 4.11Å; F146-F164 AromaticContact CG-CD1 3.65Å; F146-F164 HydrophobicContact CG-CD1 3.65Å; F146-F164 AromaticContact CG-CE1 3.68Å; F146-F164 HydrophobicContact CG-CE1 3.68Å; F146-F164 HydrophobicContact CZ-CD1 4.26Å
147D85.6Confident85.3Confident83 Ų8361.1 Ų61.144%0.44434%0.341SS..Hα-helixtrans-68.3-35.5178.6-70.7-10.8000113E143 K145 R151E143-D147 PolarHBondContact O-N 3.32Å; K145-D147 VanDerWaalsContact C-N 3.26Å; K145-D147 PolarHBondContact O-N 3.46Å; D147-R151 WeakPolarHBondContact O-CB 3.38Å; D147-R151 VanDerWaalsContact O-CG 3.27Å; D147-R151 WeakPolarHBondContact O-CG 3.17Å; D147-R151 PolarHBondContact O-N 3.13Å; D147-R151 PolarHBondContact O-NE 2.96Å
148F83.7Confident85Confident56 Ų5659.9 Ų59.925%0.24634%0.342CS..Hα-helixtrans-58.5-46.9171.9170-88.7000111.5F100 E144 K145 R151 N152F100-F148 HydrophobicContact CB-CZ 4.4Å; E144-F148 WeakPolarHBondContact O-CB 3.37Å; E144-F148 PolarHBondContact O-N 3.04Å; K145-F148 WeakPolarHBondContact O-CB 3.32Å; K145-F148 PolarHBondContact O-N 3.31Å; F148-R151 PolarHBondContact O-N 3.47Å; F148-N152 VanDerWaalsContact CD2-ND2 3.27Å; F148-N152 WeakPolarHBondContact CD2-ND2 3.42Å; F148-N152 WeakPolarHBondContact CE1-ND2 3.1Å; F148-N152 WeakPolarHBondContact CE2-ND2 3.4Å; F148-N152 WeakPolarHBondContact CZ-ND2 3.49Å; F148-N152 WeakPolarHBondContact O-CB 3.46Å; F148-N152 PolarHBondContact O-N 3.05Å; F148-N152 PolarHBondContact O-ND2 3.19Å
149W83.5Confident84.7Confident36 Ų3667.6 Ų67.614%0.13637%0.37CS..Hα-helixtrans-66.3-41.2-178.8-72.1115.1000112.1S113 P116 K145 F146 S154 V156S113-W149 VanDerWaalsContact OG-CH2 3.3Å; S113-W149 WeakPolarHBondContact OG-CH2 3.34Å; S113-W149 WeakPolarHBondContact OG-CZ2 3.02Å; P116-W149 HydrophobicContact CB-CD2 3.9Å; P116-W149 HydrophobicContact CB-CG 3.99Å; P116-W149 HydrophobicContact CB-CZ2 4Å; P116-W149 HydrophobicContact CG-CD2 4.29Å; P116-W149 HydrophobicContact CG-CG 4.41Å; K145-W149 PolarHBondContact O-N 3.05Å; F146-W149 PolarHBondContact O-N 3.49Å; W149-S154 WeakPolarHBondContact O-CB 3.37Å; W149-S154 PolarHBondContact O-N 3.1Å; W149-S154 VanDerWaalsContact O-N 3.13Å; W149-V156 HydrophobicContact CB-CG2 3.73Å
150L85Confident84.4Confident92 Ų9268.1 Ų68.148%0.48237%0.373SS..Hα-helixtrans-62.9-44.6174.8-68.5-179000112F146 N152 G153 V156F146-L150 HydrophobicContact CD1-CD1 3.74Å; F146-L150 HydrophobicContact CD1-CG 4.33Å; F146-L150 HydrophobicContact CE1-CD1 3.45Å; F146-L150 VanDerWaalsContact CE1-CD1 3.45Å; F146-L150 HydrophobicContact CE1-CG 4.17Å; F146-L150 HydrophobicContact CZ-CD1 4.23Å; F146-L150 WeakPolarHBondContact O-CG 3.26Å; F146-L150 PolarHBondContact O-N 3.27Å; L150-N152 PolarHBondContact O-N 2.71Å; L150-G153 PolarHBondContact O-N 3.02Å; L150-V156 HydrophobicContact CD2-CG2 4.2Å
151R84.9Confident84.3Confident183 Ų18367.9 Ų67.969%0.69136%0.364SS*.Hα-helixtrans-66.5-34.8-179.3-76.8-177.6-70.6158.5-6.5113.4D147 F148 G153D147-R151 WeakPolarHBondContact O-CB 3.38Å; D147-R151 VanDerWaalsContact O-CG 3.27Å; D147-R151 WeakPolarHBondContact O-CG 3.17Å; D147-R151 PolarHBondContact O-N 3.13Å; D147-R151 PolarHBondContact O-NE 2.96Å; F148-R151 PolarHBondContact O-N 3.47Å; R151-G153 PolarHBondContact O-N 3.2Å
152N82.4Confident84.4Confident95 Ų9577.3 Ų77.351%0.50840%0.397SS..THydrogen-bonded Turntrans-84.918.6179.8-70.1-38.2000113.6F148 L150 S154F148-N152 VanDerWaalsContact CD2-ND2 3.27Å; F148-N152 WeakPolarHBondContact CD2-ND2 3.42Å; F148-N152 WeakPolarHBondContact CE1-ND2 3.1Å; F148-N152 WeakPolarHBondContact CE2-ND2 3.4Å; F148-N152 WeakPolarHBondContact CZ-ND2 3.49Å; F148-N152 WeakPolarHBondContact O-CB 3.46Å; F148-N152 PolarHBondContact O-N 3.05Å; F148-N152 PolarHBondContact O-ND2 3.19Å; L150-N152 PolarHBondContact O-N 2.71Å; N152-S154 PolarHBondContact O-N 2.93Å; N152-S154 VanDerWaalsContact O-N 3.14Å
153G73.5Confident84.3Confident66 Ų6677.5 Ų77.568%0.6840%0.399SS*.THydrogen-bonded Turntrans65.917.4174.800000114.3L150 R151L150-G153 PolarHBondContact O-N 3.02Å; R151-G153 PolarHBondContact O-N 3.2Å
154S77.6Confident84.3Confident44 Ų4474.7 Ų74.731%0.30839%0.386SS..  trans-80.7131.1178.5-63.80000110.4W149 N152 V156W149-S154 WeakPolarHBondContact O-CB 3.37Å; W149-S154 PolarHBondContact O-N 3.1Å; W149-S154 VanDerWaalsContact O-N 3.13Å; N152-S154 PolarHBondContact O-N 2.93Å; N152-S154 VanDerWaalsContact O-N 3.14Å; S154-V156 PolarHBondContact O-N 3.36Å
155T77.9Confident84.6Confident142 Ų14271.7 Ų71.787%0.87138%0.38SS*.  trans-70.2104.6172.1-54.50000109.6
156V79.3Confident85Confident20 Ų2075.1 Ų75.112%0.12140%0.396CS..  trans-79127.3171.7-176.20000108.9F146 W149 L150 S154 S158 I160F146-V156 HydrophobicContact CD2-CG1 4.45Å; F146-V156 HydrophobicContact CE2-CG1 3.9Å; W149-V156 HydrophobicContact CB-CG2 3.73Å; L150-V156 HydrophobicContact CD2-CG2 4.2Å; S154-V156 PolarHBondContact O-N 3.36Å; V156-S158 PolarHBondContact O-N 3.31Å; V156-I160 HydrophobicContact CG1-CB 3.78Å; V156-I160 HydrophobicContact CG1-CD1 4.34Å; V156-I160 HydrophobicContact CG1-CG2 3.67Å
157S86.8Confident85.2Confident55 Ų5574 Ų7439%0.38539%0.391SS..  trans-58.2139.7179.3177.90000111.3R159 I160 T161S157-R159 PolarHBondContact O-N 2.71Å; S157-R159 PolarHBondContact OG-N 3.39Å; S157-I160 WeakPolarHBondContact O-CA 3.39Å; S157-I160 WeakPolarHBondContact O-CB 3.47Å; S157-I160 PolarHBondContact O-N 3.02Å; S157-T161 PolarHBondContact O-N 2.9Å; S157-T161 VanDerWaalsContact O-N 3.08Å; S157-T161 PolarHBondContact O-OG1 2.73Å
158S86.7Confident85.4Confident95 Ų9573.7 Ų73.766%0.66439%0.386SS*.Hα-helixtrans-53-30.7174.160.70000113.2V156 T161 R162V156-S158 PolarHBondContact O-N 3.31Å; S158-T161 PolarHBondContact O-N 3.3Å; S158-R162 WeakPolarHBondContact O-CB 3.05Å; S158-R162 PolarHBondContact O-N 3.22Å
159R87.3Confident85.7Confident176 Ų17675.4 Ų75.466%0.66440%0.396SS*.Hα-helixtrans-67-36.5175.6-63.6-176179.8-166.5-1.3112.5S157 A163S157-R159 PolarHBondContact O-N 2.71Å; S157-R159 PolarHBondContact OG-N 3.39Å; R159-A163 WeakPolarHBondContact O-CB 2.97Å; R159-A163 PolarHBondContact O-N 3.38Å; R159-A163 VanDerWaalsContact O-N 3.09Å
160I85.8Confident85.8Confident12 Ų1275.8 Ų75.86%0.06240%0.401CS..Hα-helixtrans-72.3-45.3176.3-65.8161.5000109.3P116 L117 I119 V156 S157 R162 A163 F164P116-I160 HydrophobicContact CG-CD1 4.14Å; P116-I160 VanDerWaalsContact O-CD1 3.23Å; P116-I160 WeakPolarHBondContact O-CD1 3.43Å; L117-I160 HydrophobicContact CD2-CD1 4.45Å; I119-I160 HydrophobicContact CB-CG2 4.29Å; I119-I160 HydrophobicContact CD1-CG2 4.33Å; V156-I160 HydrophobicContact CG1-CB 3.78Å; V156-I160 HydrophobicContact CG1-CD1 4.34Å; V156-I160 HydrophobicContact CG1-CG2 3.67Å; S157-I160 WeakPolarHBondContact O-CA 3.39Å; S157-I160 WeakPolarHBondContact O-CB 3.47Å; S157-I160 PolarHBondContact O-N 3.02Å; I160-R162 VanDerWaalsContact C-N 3.31Å; I160-R162 PolarHBondContact O-N 2.95Å; I160-A163 PolarHBondContact O-N 3.34Å; I160-F164 WeakPolarHBondContact O-CB 3.41Å; I160-F164 PolarHBondContact O-N 3.47Å
161T86.3Confident85.8Confident63 Ų6374 Ų7439%0.38739%0.389SS..Hα-helixtrans-57.1-44.4176.1-53.20000111.8F146 S157 S158 F164 G165F146-T161 HydrophobicContact CZ-CG2 4.09Å; S157-T161 PolarHBondContact O-N 2.9Å; S157-T161 VanDerWaalsContact O-N 3.08Å; S157-T161 PolarHBondContact O-OG1 2.73Å; S158-T161 PolarHBondContact O-N 3.3Å; T161-F164 PolarHBondContact O-N 3.06Å; T161-G165 PolarHBondContact O-N 3.49Å
162R91.1Very high85.7Confident211 Ų21169.6 Ų69.680%0.79638%0.38SS*.Hα-helixtrans-65.5-43.7177.1-170177.9-172.6-179.32.2112.4S158 I160 F164 G165 H166S158-R162 WeakPolarHBondContact O-CB 3.05Å; S158-R162 PolarHBondContact O-N 3.22Å; I160-R162 VanDerWaalsContact C-N 3.31Å; I160-R162 PolarHBondContact O-N 2.95Å; R162-F164 VanDerWaalsContact C-N 3.28Å; R162-F164 PolarHBondContact O-N 3.13Å; R162-G165 PolarHBondContact O-N 3.21Å; R162-H166 PolarHBondContact O-N 2.92Å
163A90.2Very high85.7Confident4 Ų471.5 Ų71.53%0.03338%0.384CS..Hα-helixtrans-58.7-43.1175.800000111.1Y123 R159 I160 H166 L167Y123-A163 HydrophobicContact CD1-CB 4.38Å; Y123-A163 HydrophobicContact CD2-CB 3.72Å; Y123-A163 HydrophobicContact CE2-CB 4.37Å; Y123-A163 HydrophobicContact CG-CB 3.73Å; R159-A163 WeakPolarHBondContact O-CB 2.97Å; R159-A163 PolarHBondContact O-N 3.38Å; R159-A163 VanDerWaalsContact O-N 3.09Å; I160-A163 PolarHBondContact O-N 3.34Å; A163-H166 PolarHBondContact O-N 3.26Å; A163-L167 WeakPolarHBondContact O-CG 3.39Å; A163-L167 PolarHBondContact O-N 3.44Å
164F90.6Very high85.8Confident11 Ų1169.1 Ų69.15%0.04836%0.357CS..Hα-helixtrans-64.2-46.9178.4-166.4-137.9000112.8I119 M139 M142 E143 F146 I160 T161 R162 H166 L167 K168I119-F164 HydrophobicContact CD1-CB 4.37Å; I119-F164 HydrophobicContact CD1-CD2 3.93Å; I119-F164 HydrophobicContact CD1-CE2 4.38Å; I119-F164 HydrophobicContact CD1-CG 4.05Å; I119-F164 HydrophobicContact CG1-CD2 4.29Å; I119-F164 HydrophobicContact CG2-CB 3.81Å; I119-F164 HydrophobicContact CG2-CD2 3.87Å; I119-F164 HydrophobicContact CG2-CG 4.21Å; M139-F164 HydrophobicContact SD-CE2 3.99Å; M142-F164 HydrophobicContact CB-CD2 4.36Å; M142-F164 HydrophobicContact CB-CE2 3.72Å; E143-F164 HydrophobicContact CB-CZ 4.23Å; E143-F164 HydrophobicContact CG-CE1 4.48Å; E143-F164 HydrophobicContact CG-CE2 4.31Å; E143-F164 HydrophobicContact CG-CZ 3.55Å; F146-F164 HydrophobicContact CB-CD1 4.16Å; F146-F164 HydrophobicContact CB-CE1 3.79Å; F146-F164 HydrophobicContact CB-CZ 4.23Å; F146-F164 AromaticContact CD1-CD1 3.82Å; F146-F164 HydrophobicContact CD1-CD1 3.82Å; F146-F164 AromaticContact CD1-CE1 3.74Å; F146-F164 HydrophobicContact CD1-CE1 3.74Å; F146-F164 AromaticContact CD2-CD1 3.8Å; F146-F164 HydrophobicContact CD2-CD1 3.8Å; F146-F164 HydrophobicContact CD2-CE1 4.29Å; F146-F164 HydrophobicContact CD2-CG 4.33Å; F146-F164 HydrophobicContact CE1-CD1 4.1Å; F146-F164 HydrophobicContact CE1-CE1 4.37Å; F146-F164 HydrophobicContact CE2-CD1 4.11Å; F146-F164 AromaticContact CG-CD1 3.65Å; F146-F164 HydrophobicContact CG-CD1 3.65Å; F146-F164 AromaticContact CG-CE1 3.68Å; F146-F164 HydrophobicContact CG-CE1 3.68Å; F146-F164 HydrophobicContact CZ-CD1 4.26Å; I160-F164 WeakPolarHBondContact O-CB 3.41Å; I160-F164 PolarHBondContact O-N 3.47Å; T161-F164 PolarHBondContact O-N 3.06Å; R162-F164 VanDerWaalsContact C-N 3.28Å; R162-F164 PolarHBondContact O-N 3.13Å; F164-H166 VanDerWaalsContact C-N 3.29Å; F164-H166 PolarHBondContact O-N 3.21Å; F164-L167 PolarHBondContact O-N 2.84Å; F164-K168 HydrophobicContact CE1-CD 4.37Å; F164-K168 HydrophobicContact CZ-CD 4.37Å; F164-K168 VanDerWaalsContact CZ-CE 3.41Å; F164-K168 PolarHBondContact O-N 3.22Å
165G90Very high85.7Confident31 Ų3171.2 Ų71.232%0.3237%0.365SS..Hα-helixtrans-58.7-41175.800000112.4T161 R162 K168 I169T161-G165 PolarHBondContact O-N 3.49Å; R162-G165 PolarHBondContact O-N 3.21Å; G165-K168 PolarHBondContact O-N 2.93Å; G165-I169 WeakPolarHBondContact O-CG1 3.43Å; G165-I169 PolarHBondContact O-N 2.86Å
166H91.2Very high85.3Confident78 Ų7872.7 Ų72.736%0.36136%0.355SS..Hα-helixtrans-63.6-46.3176.9-169.1-112.5000112.3Y123 R162 A163 F164 K168 I169 L170Y123-H166 HydrophobicContact CD2-CB 4.45Å; Y123-H166 HydrophobicContact CE2-CB 3.9Å; Y123-H166 AromaticContact CE2-CG 3.91Å; Y123-H166 AromaticContact CE2-ND1 3.4Å; Y123-H166 WeakPolarHBondContact CE2-ND1 3.46Å; R162-H166 PolarHBondContact O-N 2.92Å; A163-H166 PolarHBondContact O-N 3.26Å; F164-H166 VanDerWaalsContact C-N 3.29Å; F164-H166 PolarHBondContact O-N 3.21Å; H166-K168 VanDerWaalsContact C-N 3.29Å; H166-K168 PolarHBondContact O-N 2.81Å; H166-I169 PolarHBondContact O-N 2.88Å; H166-I169 VanDerWaalsContact O-N 3.15Å; H166-L170 WeakPolarHBondContact O-CG 3.41Å; H166-L170 PolarHBondContact O-N 3.33Å
167L90.5Very high84.8Confident2 Ų278.8 Ų78.81%0.0138%0.382CS..Hα-helixtrans-60.6-38.8177-69.8170.4000112.1I119 V122 Y123 V126 A135 M139 M142 A163 F164 L170 K171I119-L167 HydrophobicContact CG2-CD1 4.17Å; V122-L167 HydrophobicContact CB-CD1 4.32Å; V122-L167 HydrophobicContact CG1-CD1 4.06Å; Y123-L167 HydrophobicContact CD2-CD2 4.48Å; Y123-L167 HydrophobicContact CD2-CG 4.21Å; V126-L167 HydrophobicContact CB-CD2 4.28Å; V126-L167 HydrophobicContact CG1-CD2 4.31Å; V126-L167 HydrophobicContact CG2-CD2 4.27Å; A135-L167 HydrophobicContact CB-CD2 4.03Å; M139-L167 HydrophobicContact CE-CB 4.13Å; M142-L167 HydrophobicContact CE-CD1 4.12Å; M142-L167 HydrophobicContact SD-CD1 3.85Å; A163-L167 WeakPolarHBondContact O-CG 3.39Å; A163-L167 PolarHBondContact O-N 3.44Å; F164-L167 PolarHBondContact O-N 2.84Å; L167-L170 PolarHBondContact O-N 3.14Å; L167-K171 PolarHBondContact O-N 3.16Å
168K89.9Confident83.7Confident76 Ų7682.3 Ų82.333%0.3340%0.396SS..Hα-helixtrans-62.1-42.5174.2-77.9-166.5166-157.90112.6M139 E143 F164 G165 H166 N172M139-K168 HydrophobicContact CE-CG 4.46Å; M139-K168 HydrophobicContact SD-CG 3.97Å; E143-K168 WeakPolarHBondContact OE1-CE 3.3Å; E143-K168 IonicContact OE1-NZ 2.75Å; E143-K168 PolarHBondContact OE1-NZ 3.44Å; F164-K168 HydrophobicContact CE1-CD 4.37Å; F164-K168 HydrophobicContact CZ-CD 4.37Å; F164-K168 VanDerWaalsContact CZ-CE 3.41Å; F164-K168 PolarHBondContact O-N 3.22Å; G165-K168 PolarHBondContact O-N 2.93Å; H166-K168 VanDerWaalsContact C-N 3.29Å; H166-K168 PolarHBondContact O-N 2.81Å; K168-N172 PolarHBondContact O-N 2.75Å; K168-N172 VanDerWaalsContact O-N 3.14Å
169I89.9Confident82.6Confident91 Ų9181.8 Ų81.847%0.46740%0.397SS..Hα-helixtrans-62.1-50176.9-69.3165.6000109.8G165 H166 K171 N172 F173G165-I169 WeakPolarHBondContact O-CG1 3.43Å; G165-I169 PolarHBondContact O-N 2.86Å; H166-I169 PolarHBondContact O-N 2.88Å; H166-I169 VanDerWaalsContact O-N 3.15Å; I169-K171 VanDerWaalsContact C-N 3.34Å; I169-K171 PolarHBondContact O-N 2.86Å; I169-N172 PolarHBondContact O-N 3.17Å; I169-N172 VanDerWaalsContact O-N 3.12Å; I169-F173 HydrophobicContact CG2-CD2 3.63Å; I169-F173 HydrophobicContact CG2-CE2 3.59Å; I169-F173 WeakPolarHBondContact O-CD2 3.31Å; I169-F173 PolarHBondContact O-N 3.3Å
170L85.5Confident81.3Confident45 Ų4583.4 Ų83.424%0.23642%0.418CS..Hα-helixtrans-58.3-43.7179.8-68175.4000112.5L132 H166 L167 N172 F173 A174L132-L170 HydrophobicContact CD2-CB 3.96Å; L132-L170 HydrophobicContact CD2-CD1 3.89Å; L132-L170 HydrophobicContact CD2-CG 4.37Å; H166-L170 WeakPolarHBondContact O-CG 3.41Å; H166-L170 PolarHBondContact O-N 3.33Å; L167-L170 PolarHBondContact O-N 3.14Å; L170-N172 VanDerWaalsContact C-N 3.34Å; L170-N172 PolarHBondContact O-N 3.34Å; L170-F173 PolarHBondContact O-N 3.1Å; L170-A174 PolarHBondContact O-N 3.25Å
171K83.8Confident81Confident54 Ų5487 Ų8724%0.23544%0.436CS..Hα-helixtrans-57.3-46.4174.8175.2-179.3171.7179.30111.8T136 M139 L167 I169 F173 A174 L175T136-K171 HydrophobicContact CG2-CD 4.25Å; T136-K171 HydrophobicContact CG2-CG 4.21Å; M139-K171 HydrophobicContact CB-CD 4.07Å; M139-K171 HydrophobicContact CE-CB 3.97Å; M139-K171 HydrophobicContact CE-CD 3.87Å; M139-K171 HydrophobicContact CG-CD 3.76Å; L167-K171 PolarHBondContact O-N 3.16Å; I169-K171 VanDerWaalsContact C-N 3.34Å; I169-K171 PolarHBondContact O-N 2.86Å; K171-F173 VanDerWaalsContact C-N 3.34Å; K171-F173 PolarHBondContact O-N 2.78Å; K171-A174 PolarHBondContact O-N 3.04Å; K171-L175 HydrophobicContact CG-CD1 4.16Å; K171-L175 WeakPolarHBondContact O-CG 3.24Å; K171-L175 PolarHBondContact O-N 3.14Å
172N84.2Confident80.8Confident91 Ų9188.2 Ų88.249%0.48744%0.438SS..Hα-helixtrans-63.1-43.2-179.7-72.4-15000111.1K168 I169 L170 L175 Y176K168-N172 PolarHBondContact O-N 2.75Å; K168-N172 VanDerWaalsContact O-N 3.14Å; I169-N172 PolarHBondContact O-N 3.17Å; I169-N172 VanDerWaalsContact O-N 3.12Å; L170-N172 VanDerWaalsContact C-N 3.34Å; L170-N172 PolarHBondContact O-N 3.34Å; N172-L175 PolarHBondContact O-N 3.01Å; N172-Y176 WeakPolarHBondContact O-CD2 2.87Å; N172-Y176 PolarHBondContact O-N 2.85Å; N172-Y176 VanDerWaalsContact O-N 3.08Å
173F81.7Confident80.2Confident135 Ų13581.4 Ų81.459%0.59242%0.418SS*.Hα-helixtrans-59.8-46.3175.5-87-78.8000112.4I169 L170 K171 L175 Y176 E177I169-F173 HydrophobicContact CG2-CD2 3.63Å; I169-F173 HydrophobicContact CG2-CE2 3.59Å; I169-F173 WeakPolarHBondContact O-CD2 3.31Å; I169-F173 PolarHBondContact O-N 3.3Å; L170-F173 PolarHBondContact O-N 3.1Å; K171-F173 VanDerWaalsContact C-N 3.34Å; K171-F173 PolarHBondContact O-N 2.78Å; F173-L175 VanDerWaalsContact C-N 3.32Å; F173-L175 PolarHBondContact O-N 2.85Å; F173-Y176 WeakPolarHBondContact O-CB 2.94Å; F173-Y176 PolarHBondContact O-N 3.07Å; F173-Y176 VanDerWaalsContact O-N 3.11Å; F173-E177 PolarHBondContact O-N 2.88Å; F173-E177 VanDerWaalsContact O-N 3.09Å
174A76.3Confident79.6Confident15 Ų1585.9 Ų85.912%0.12444%0.441CS..Hα-helixtrans-59.9-40.6177.800000112.4L132 L170 K171 Y176 E177 I178L132-A174 HydrophobicContact CD1-CB 4.25Å; L170-A174 PolarHBondContact O-N 3.25Å; K171-A174 PolarHBondContact O-N 3.04Å; A174-Y176 VanDerWaalsContact C-N 3.33Å; A174-Y176 PolarHBondContact O-N 3.02Å; A174-E177 PolarHBondContact O-N 2.99Å; A174-I178 WeakPolarHBondContact O-CD1 3.35Å; A174-I178 WeakPolarHBondContact O-CG1 3.47Å; A174-I178 PolarHBondContact O-N 2.85Å
175L74.4Confident78.9Confident89 Ų8990.6 Ų90.647%0.46647%0.466SS..Hα-helixtrans-66.3-33.3175.9-69.5172.9000112.9K171 N172 F173 A179K171-L175 HydrophobicContact CG-CD1 4.16Å; K171-L175 WeakPolarHBondContact O-CG 3.24Å; K171-L175 PolarHBondContact O-N 3.14Å; N172-L175 PolarHBondContact O-N 3.01Å; F173-L175 VanDerWaalsContact C-N 3.32Å; F173-L175 PolarHBondContact O-N 2.85Å; L175-A179 PolarHBondContact O-N 3Å
176Y70.7Confident78.2Confident172 Ų17294.6 Ų94.668%0.67548%0.475SS*.Hα-helixtrans-68.1-40.2174.9-90-74.7000112.2N172 F173 A174 I178 A179N172-Y176 WeakPolarHBondContact O-CD2 2.87Å; N172-Y176 PolarHBondContact O-N 2.85Å; N172-Y176 VanDerWaalsContact O-N 3.08Å; F173-Y176 WeakPolarHBondContact O-CB 2.94Å; F173-Y176 PolarHBondContact O-N 3.07Å; F173-Y176 VanDerWaalsContact O-N 3.11Å; A174-Y176 VanDerWaalsContact C-N 3.33Å; A174-Y176 PolarHBondContact O-N 3.02Å; Y176-I178 VanDerWaalsContact C-N 3.31Å; Y176-I178 PolarHBondContact O-N 3.17Å; Y176-A179 PolarHBondContact O-N 3.43Å
177E67.6Low77.3Confident148 Ų14895.8 Ų95.869%0.69248%0.483SS*.Hα-helixtrans-66.5-32.9178.4-72.5-174.3165.500112.6F173 A174 A179F173-E177 PolarHBondContact O-N 2.88Å; F173-E177 VanDerWaalsContact O-N 3.09Å; A174-E177 PolarHBondContact O-N 2.99Å; E177-A179 VanDerWaalsContact C-N 3.28Å; E177-A179 PolarHBondContact O-N 3.25Å
178I64.8Low76.2Confident129 Ų129103 Ų10366%0.66252%0.52SS*.Hα-helixtrans-73.3-22.3176.1-62.9164.3000111.9A174 Y176A174-I178 WeakPolarHBondContact O-CD1 3.35Å; A174-I178 WeakPolarHBondContact O-CG1 3.47Å; A174-I178 PolarHBondContact O-N 2.85Å; Y176-I178 VanDerWaalsContact C-N 3.31Å; Y176-I178 PolarHBondContact O-N 3.17Å
179A62.6Low75.1Confident84 Ų84105.3 Ų105.369%0.69454%0.536SS*.THydrogen-bonded Turntrans-89.3-4.6-176.900000114.4L175 Y176 E177L175-A179 PolarHBondContact O-N 3Å; Y176-A179 PolarHBondContact O-N 3.43Å; E177-A179 VanDerWaalsContact C-N 3.28Å; E177-A179 PolarHBondContact O-N 3.25Å
180L59.9Low73.8Confident210 Ų210106.5 Ų106.5100%1.09954%0.542SS*.  trans-101.40176.8-71.5171.5000111.3

Retrieved 180 of 180 residues in 185.5 ms (Link to these results)

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