A0A077YWE1_TRITR Loading...

Metaxin glutathione S-transferase domain-containing protein

AlphaFold DB , UniProt , Accession A0A077YWE1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 285 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
1M39.2Very low76.7Confident210 Ų21041.4 Ų41.4100%1.03422%0.224SC*.  0113.40-77.3176.8160.200108.9Q3M1-Q3 HydrophobicContact CB-CG 4.08Å; M1-Q3 PolarHBondContact O-N 3.31Å
2S46Very low77.3Confident64 Ų6442.1 Ų42.145%0.44823%0.225SC..  trans-75.383.6-179.849.70000110.7F59S2-F59 VanDerWaalsContact CB-CB 3.44Å
3Q64.9Low77.8Confident92 Ų9243.5 Ų43.543%0.4323%0.228SC..  trans-99.4132.2-169.2-76.7174-15.500112.1M1M1-Q3 HydrophobicContact CB-CG 4.08Å; M1-Q3 PolarHBondContact O-N 3.31Å
4L77.3Confident78.3Confident6 Ų646.9 Ų46.93%0.03125%0.246CC..EExtended strand (participates in β ladder)trans-64.3127.6161176.392.6000108V36 R37 F54 L56 I82L4-V36 HydrophobicContact CD2-CB 4.07Å; L4-V36 HydrophobicContact CD2-CG1 4.1Å; L4-V36 HydrophobicContact CD2-CG2 3.41Å; L4-V36 VanDerWaalsContact CD2-CG2 3.41Å; L4-R37 PolarHBondContact O-N 2.91Å; L4-F54 HydrophobicContact CD2-CD1 4.3Å; L4-L56 HydrophobicContact CD1-CD1 3.3Å; L4-I82 HydrophobicContact CD1-CD1 3.43Å; L4-I82 VanDerWaalsContact CD1-CD1 3.43Å; L4-I82 HydrophobicContact CD1-CG1 4.44Å; L4-I82 HydrophobicContact CD2-CD1 3.45Å; L4-I82 VanDerWaalsContact CD2-CD1 3.45Å; L4-I82 HydrophobicContact CD2-CG1 3.67Å; L4-I82 HydrophobicContact CG-CD1 4.06Å
5S85.8Confident78.9Confident9 Ų943.7 Ų43.76%0.06323%0.229CC..EExtended strand (participates in β ladder)trans-114.8146.4174.1680000112.4R37 E39 F54 K55S5-R37 CarbonylContact C-O 3.22Å; S5-R37 WeakPolarHBondContact CA-O 3.33Å; S5-E39 WeakPolarHBondContact CB-OE1 3.44Å; S5-E39 VanDerWaalsContact CB-OE2 3.23Å; S5-E39 WeakPolarHBondContact CB-OE2 3.17Å; S5-E39 VanDerWaalsContact OG-CD 3.27Å; S5-E39 PolarHBondContact OG-OE2 3.03Å; S5-F54 CarbonylContact O-C 3.42Å; S5-F54 WeakPolarHBondContact O-CA 3.48Å; S5-K55 PolarHBondContact N-O 2.87Å; S5-K55 PolarHBondContact O-N 2.71Å
6L87.7Confident79.4Confident1 Ų141.8 Ų41.81%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-110.7113.4172.2176.365.3000107.6V8 M26 V36 R37 E39 P52 F54L6-V8 HydrophobicContact CD2-CG1 4.08Å; L6-V8 HydrophobicContact CG-CG1 3.85Å; L6-M26 HydrophobicContact CD2-CG 4.09Å; L6-V36 HydrophobicContact CB-CG1 3.36Å; L6-R37 PolarHBondContact N-O 3.47Å; L6-E39 PolarHBondContact O-N 3.03Å; L6-P52 HydrophobicContact CD1-CB 3.87Å; L6-F54 HydrophobicContact CB-CD1 4.23Å; L6-F54 HydrophobicContact CB-CE1 4.16Å; L6-F54 HydrophobicContact CD1-CD1 3.84Å; L6-F54 HydrophobicContact CD1-CD2 4.03Å; L6-F54 HydrophobicContact CD1-CE1 3.71Å; L6-F54 HydrophobicContact CD1-CE2 3.89Å; L6-F54 HydrophobicContact CD1-CG 4Å; L6-F54 HydrophobicContact CD1-CZ 3.74Å; L6-F54 HydrophobicContact CD2-CE1 4.38Å; L6-F54 HydrophobicContact CD2-CZ 4.44Å; L6-F54 HydrophobicContact CG-CE1 4.3Å
7Q88.3Confident80Confident15 Ų1539.4 Ų39.47%0.0721%0.207CC..EExtended strand (participates in β ladder)trans-80.4125.1175.2-61.5-155.8-43.300110.4E39 M51 P52 V53 K55Q7-E39 VanDerWaalsContact CA-O 3.26Å; Q7-E39 WeakPolarHBondContact CA-O 3.48Å; Q7-E39 HydrophobicContact CG-CB 4.47Å; Q7-M51 HydrophobicContact CB-SD 4.2Å; Q7-P52 VanDerWaalsContact O-CA 3.25Å; Q7-P52 WeakPolarHBondContact O-CA 3.32Å; Q7-P52 WeakPolarHBondContact O-CB 3.46Å; Q7-V53 HydrophobicContact CB-CB 4.44Å; Q7-V53 PolarHBondContact N-O 3.4Å; Q7-V53 PolarHBondContact O-N 3.46Å; Q7-V53 VanDerWaalsContact O-N 3.1Å; Q7-K55 HydrophobicContact CG-CD 3.98Å; Q7-K55 HydrophobicContact CG-CG 4.26Å
8V89.8Confident80.5Confident1 Ų137.7 Ų37.71%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-131.7160.5-176.9-61.80000110.8L6 C22 M26 I38 E39 P40 S41 M51 P52L6-V8 HydrophobicContact CD2-CG1 4.08Å; L6-V8 HydrophobicContact CG-CG1 3.85Å; V8-C22 HydrophobicContact CB-CB 3.91Å; V8-C22 HydrophobicContact CG1-CB 3.99Å; V8-M26 HydrophobicContact CB-SD 4.18Å; V8-M26 HydrophobicContact CG1-CG 3.94Å; V8-M26 HydrophobicContact CG1-SD 3.81Å; V8-M26 HydrophobicContact CG2-SD 4.09Å; V8-I38 HydrophobicContact CG2-CG2 3.48Å; V8-I38 VanDerWaalsContact CG2-CG2 3.48Å; V8-E39 PolarHBondContact N-O 2.67Å; V8-P40 CarbonylContact O-C 3.36Å; V8-P40 WeakPolarHBondContact O-CA 3.49Å; V8-S41 PolarHBondContact O-N 2.82Å; V8-M51 WeakPolarHBondContact O-CE 3.49Å; V8-P52 HydrophobicContact CG1-CB 4.34Å
9W88.6Confident81Confident4 Ų436.6 Ų36.62%0.01519%0.193CC..PPolyproline II helixtrans-62.4145.5171.1-74.197.9000109.8S17 I18 D19 V42 P44 M51 W123 Y124 L128 F136W9-S17 WeakPolarHBondContact CB-OG 3.26Å; W9-S17 PolarHBondContact N-OG 3.48Å; W9-S17 WeakPolarHBondContact O-CB 3.42Å; W9-S17 PolarHBondContact O-OG 2.9Å; W9-I18 HydrophobicContact CB-CG2 4.2Å; W9-D19 HydrophobicContact CB-CB 4.31Å; W9-D19 HydrophobicContact CG-CB 4.01Å; W9-V42 HydrophobicContact CZ3-CG1 4.1Å; W9-P44 HydrophobicContact CH2-CB 4.12Å; W9-P44 HydrophobicContact CH2-CG 4.04Å; W9-P44 HydrophobicContact CZ2-CB 4.16Å; W9-M51 HydrophobicContact CB-CE 4.09Å; W9-M51 HydrophobicContact CD2-CE 3.5Å; W9-M51 HydrophobicContact CE3-CE 4.03Å; W9-M51 HydrophobicContact CG-CE 3.52Å; W9-M51 HydrophobicContact CZ2-CE 4.38Å; W9-W123 HydrophobicContact CB-CH2 4.35Å; W9-W123 HydrophobicContact CD2-CH2 4.45Å; W9-W123 AromaticContact CE3-CH2 3.86Å; W9-W123 HydrophobicContact CE3-CH2 3.86Å; W9-W123 AromaticContact CE3-CZ3 3.94Å; W9-W123 HydrophobicContact CE3-CZ3 3.94Å; W9-W123 HydrophobicContact CZ3-CZ3 4.4Å; W9-Y124 HydrophobicContact CD2-CE1 4.37Å; W9-Y124 HydrophobicContact CE3-CE1 4.21Å; W9-Y124 HydrophobicContact CH2-CD1 4.31Å; W9-Y124 AromaticContact CH2-CE1 3.9Å; W9-Y124 HydrophobicContact CH2-CE1 3.9Å; W9-Y124 HydrophobicContact CZ2-CE1 4.02Å; W9-Y124 HydrophobicContact CZ3-CD1 4.29Å; W9-Y124 AromaticContact CZ3-CE1 3.98Å; W9-Y124 HydrophobicContact CZ3-CE1 3.98Å; W9-L128 HydrophobicContact CH2-CD1 3.74Å; W9-L128 HydrophobicContact CH2-CD2 3.92Å; W9-L128 HydrophobicContact CH2-CG 4.21Å; W9-L128 HydrophobicContact CZ3-CD1 4.08Å; W9-L128 HydrophobicContact CZ3-CD2 4.02Å; W9-L128 HydrophobicContact CZ3-CG 4.18Å; W9-F136 HydrophobicContact CH2-CZ 4.43Å; W9-F136 HydrophobicContact CZ2-CE1 4.15Å; W9-F136 HydrophobicContact CZ2-CE2 4.04Å; W9-F136 AromaticContact CZ2-CZ 3.67Å; W9-F136 HydrophobicContact CZ2-CZ 3.67Å
10P87.7Confident81.4Confident18 Ų1835.7 Ų35.712%0.11719%0.191CC..PPolyproline II helixtrans-56.8154.4-178.222.2-30.4000112.2P40 V42 W123P10-P40 HydrophobicContact CB-CB 4.29Å; P10-V42 HydrophobicContact CG-CG2 4.47Å; P10-W123 HydrophobicContact CG-CH2 3.92Å; P10-W123 HydrophobicContact CG-CZ2 3.83Å
11S88Confident81.8Confident35 Ų3539.4 Ų39.425%0.24521%0.205CC..PPolyproline II helixtrans-64.5139.7173.242.90000110.2L15 E231S11-L15 VanDerWaalsContact CA-O 3.24Å; S11-L15 WeakPolarHBondContact CA-O 3.47Å; S11-L15 VanDerWaalsContact CB-O 3.31Å; S11-L15 WeakPolarHBondContact CB-O 3.27Å; S11-E231 PolarHBondContact OG-OE1 3.41Å
12E84.9Confident84.3Confident50 Ų5029.4 Ų29.423%0.23416%0.156CC..BIsolated β-bridgetrans-162155.9174-154.595.6-151.500108.5L14 L15 W123 K127E12-L14 PolarHBondContact O-N 3.36Å; E12-L15 PolarHBondContact N-O 3.07Å; E12-L15 VanDerWaalsContact N-O 3.14Å; E12-L15 WeakPolarHBondContact O-CB 3.29Å; E12-L15 PolarHBondContact O-N 3.49Å; E12-W123 HydrophobicContact CB-CZ2 4.46Å; E12-W123 VanDerWaalsContact CG-NE1 3.29Å; E12-W123 PolarHBondContact OE2-NE1 3.3Å; E12-K127 VanDerWaalsContact OE2-CE 3.3Å; E12-K127 WeakPolarHBondContact OE2-CE 3.24Å; E12-K127 IonicContact OE2-NZ 3.62Å; E12-K127 PolarHBondContact OE2-NZ 3.46Å
13F83.7Confident86.5Confident60 Ų6026.4 Ų26.426%0.26314%0.135SC..THydrogen-bonded Turntrans55.441.4174.7-48-65.8000114.8L15 I18 I119 I195 P196F13-L15 PolarHBondContact O-N 3.33Å; F13-L15 VanDerWaalsContact O-N 3.12Å; F13-I18 HydrophobicContact CD2-CD1 3.99Å; F13-I18 HydrophobicContact CD2-CG1 4.48Å; F13-I18 HydrophobicContact CE2-CD1 3.69Å; F13-I119 HydrophobicContact CE2-CG2 4.3Å; F13-I119 HydrophobicContact CZ-CG2 3.92Å; F13-I195 HydrophobicContact CD2-CG1 4.06Å; F13-I195 HydrophobicContact CD2-CG2 4.43Å; F13-I195 HydrophobicContact CE2-CG2 4.46Å; F13-P196 HydrophobicContact CD1-CG 3.87Å; F13-P196 HydrophobicContact CE1-CG 3.91Å
14L83.9Confident87.8Confident91 Ų9122.3 Ų22.348%0.47612%0.116SC..THydrogen-bonded Turntrans62.113.9-175.7-56.4157.3000113.9E12 Y194 R235E12-L14 PolarHBondContact O-N 3.36Å; L14-Y194 HydrophobicContact CB-CD1 3.86Å; L14-Y194 HydrophobicContact CB-CE1 4.18Å; L14-Y194 HydrophobicContact CD1-CD1 4.31Å; L14-R235 HydrophobicContact CD2-CG 4.38Å
15L88.4Confident88.5Confident0 Ų024 Ų240%012%0.122CC..BIsolated β-bridgetrans-105.4141174.8-64.9171.4000110.2S11 E12 F13 S17 A190 P191 Y194 I195 I221S11-L15 VanDerWaalsContact CA-O 3.24Å; S11-L15 WeakPolarHBondContact CA-O 3.47Å; S11-L15 VanDerWaalsContact CB-O 3.31Å; S11-L15 WeakPolarHBondContact CB-O 3.27Å; E12-L15 PolarHBondContact N-O 3.07Å; E12-L15 VanDerWaalsContact N-O 3.14Å; E12-L15 WeakPolarHBondContact O-CB 3.29Å; E12-L15 PolarHBondContact O-N 3.49Å; F13-L15 PolarHBondContact O-N 3.33Å; F13-L15 VanDerWaalsContact O-N 3.12Å; L15-S17 WeakPolarHBondContact CB-O 3.25Å; L15-S17 PolarHBondContact O-N 3.26Å; L15-A190 HydrophobicContact CD2-CB 3.75Å; L15-P191 HydrophobicContact CD1-CB 4.4Å; L15-P191 HydrophobicContact CD1-CG 4.44Å; L15-Y194 HydrophobicContact CD2-CD2 3.83Å; L15-Y194 HydrophobicContact CD2-CG 3.85Å; L15-Y194 HydrophobicContact CG-CG 4.19Å; L15-I195 HydrophobicContact CD1-CG1 4.21Å; L15-I221 HydrophobicContact CD2-CD1 3.98Å
16P86.8Confident88.7Confident13 Ų1323.8 Ų23.88%0.08412%0.12CC..SBendtrans-69.8-12.8175.328.8-33000112.5L23 M26 M225 L227P16-L23 HydrophobicContact CG-CD2 3.62Å; P16-M26 HydrophobicContact CB-CE 3.68Å; P16-M26 HydrophobicContact CG-CE 4.17Å; P16-M225 HydrophobicContact CB-CB 4.34Å; P16-M225 HydrophobicContact CB-SD 4.3Å; P16-M225 HydrophobicContact CG-CB 4.06Å; P16-M225 HydrophobicContact CG-CG 4.45Å; P16-M225 HydrophobicContact CG-SD 3.56Å; P16-M225 VanDerWaalsContact CG-SD 3.56Å; P16-L227 HydrophobicContact CB-CD2 4.26Å
17S89.5Confident88.9Confident0 Ų023.8 Ų23.80%012%0.12CC..  trans-161.2146.4168.4-164.80000110.3W9 L15 C22 L23W9-S17 WeakPolarHBondContact CB-OG 3.26Å; W9-S17 PolarHBondContact N-OG 3.48Å; W9-S17 WeakPolarHBondContact O-CB 3.42Å; W9-S17 PolarHBondContact O-OG 2.9Å; L15-S17 WeakPolarHBondContact CB-O 3.25Å; L15-S17 PolarHBondContact O-N 3.26Å; S17-C22 VanDerWaalsContact OG-CB 3.27Å; S17-C22 WeakPolarHBondContact OG-CB 3.42Å; S17-L23 WeakPolarHBondContact O-CD1 3.15Å; S17-L23 WeakPolarHBondContact O-CD2 3.45Å; S17-L23 WeakPolarHBondContact O-CG 3.36Å
18I88.1Confident89.1Confident9 Ų923.1 Ų23.15%0.04612%0.117CC..SBendtrans-77-27.1177.4-153168.8000113.3W9 F13 W123 I195W9-I18 HydrophobicContact CB-CG2 4.2Å; F13-I18 HydrophobicContact CD2-CD1 3.99Å; F13-I18 HydrophobicContact CD2-CG1 4.48Å; F13-I18 HydrophobicContact CE2-CD1 3.69Å; I18-W123 HydrophobicContact CB-CH2 4.25Å; I18-W123 HydrophobicContact CB-CZ2 4.19Å; I18-W123 HydrophobicContact CD1-CD2 3.69Å; I18-W123 HydrophobicContact CD1-CE3 4.09Å; I18-W123 HydrophobicContact CD1-CG 3.97Å; I18-W123 HydrophobicContact CD1-CZ2 4.25Å; I18-W123 HydrophobicContact CG2-CE3 4.17Å; I18-W123 HydrophobicContact CG2-CH2 3.4Å; I18-W123 HydrophobicContact CG2-CZ2 3.83Å; I18-W123 HydrophobicContact CG2-CZ3 3.6Å; I18-I195 HydrophobicContact CD1-CD1 4.21Å; I18-I195 HydrophobicContact CG1-CD1 3.69Å; I18-I195 HydrophobicContact CG1-CG1 4.4Å
19D89.5Confident89.1Confident18 Ų1823.3 Ų23.310%0.09612%0.118CC..SBendtrans-84.9131-173.517456.2000111.4W9 K21 C22 L23W9-D19 HydrophobicContact CB-CB 4.31Å; W9-D19 HydrophobicContact CG-CB 4.01Å; D19-K21 VanDerWaalsContact C-N 3.3Å; D19-K21 PolarHBondContact O-N 3.43Å; D19-K21 WeakPolarHBondContact OD2-CB 3.29Å; D19-K21 PolarHBondContact OD2-N 3.4Å; D19-C22 HydrophobicContact CB-CB 4.08Å; D19-C22 WeakPolarHBondContact O-CB 3.46Å; D19-C22 PolarHBondContact O-N 3.43Å; D19-C22 PolarHBondContact OD2-N 3.02Å; D19-C22 VanDerWaalsContact OD2-N 3.08Å; D19-C22 PolarHBondContact OD2-SG 3.46Å; D19-L23 PolarHBondContact O-N 2.93Å; D19-L23 VanDerWaalsContact O-N 3.1Å
20A90.9Very high89.1Confident18 Ų1827 Ų2715%0.14914%0.135CC..Hα-helixtrans-56-45.2-178.400000111.8L23 Q24 Q105 G187A20-L23 PolarHBondContact O-N 2.98Å; A20-Q24 VanDerWaalsContact O-CG 3.23Å; A20-Q24 WeakPolarHBondContact O-CG 3.22Å; A20-Q24 PolarHBondContact O-N 2.69Å; A20-Q105 HydrophobicContact CB-CG 4.33Å; A20-G187 VanDerWaalsContact CA-O 3.23Å; A20-G187 WeakPolarHBondContact CA-O 3.36Å; A20-G187 VanDerWaalsContact CB-O 3.24Å; A20-G187 WeakPolarHBondContact CB-O 3.3Å
21K89.2Confident89.2Confident114 Ų11427.6 Ų27.650%0.49614%0.136SC..Hα-helixtrans-66.6-43.1-179-69.7-179.2-179.3177.20111.3D19 L23 Q24 Y25D19-K21 VanDerWaalsContact C-N 3.3Å; D19-K21 PolarHBondContact O-N 3.43Å; D19-K21 WeakPolarHBondContact OD2-CB 3.29Å; D19-K21 PolarHBondContact OD2-N 3.4Å; K21-L23 VanDerWaalsContact C-N 3.28Å; K21-L23 PolarHBondContact O-N 2.97Å; K21-Q24 WeakPolarHBondContact O-CB 3.42Å; K21-Q24 PolarHBondContact O-N 3.2Å; K21-Q24 VanDerWaalsContact O-N 3.11Å; K21-Y25 VanDerWaalsContact O-CD2 3.29Å; K21-Y25 WeakPolarHBondContact O-CD2 3.31Å; K21-Y25 PolarHBondContact O-N 3.28Å
22C91.1Very high89.1Confident0 Ų027 Ų270%013%0.131CC..Hα-helixtrans-53.4-48.7176-67.30000111.2V8 S17 D19 Q24 Y25 M26V8-C22 HydrophobicContact CB-CB 3.91Å; V8-C22 HydrophobicContact CG1-CB 3.99Å; S17-C22 VanDerWaalsContact OG-CB 3.27Å; S17-C22 WeakPolarHBondContact OG-CB 3.42Å; D19-C22 HydrophobicContact CB-CB 4.08Å; D19-C22 WeakPolarHBondContact O-CB 3.46Å; D19-C22 PolarHBondContact O-N 3.43Å; D19-C22 PolarHBondContact OD2-N 3.02Å; D19-C22 VanDerWaalsContact OD2-N 3.08Å; D19-C22 PolarHBondContact OD2-SG 3.46Å; C22-Q24 PolarHBondContact O-N 2.72Å; C22-Y25 PolarHBondContact O-N 3.4Å; C22-M26 WeakPolarHBondContact O-CB 3.34Å; C22-M26 WeakPolarHBondContact O-CG 3.41Å; C22-M26 PolarHBondContact O-N 3.37Å
23L92.8Very high89.2Confident0 Ų031.4 Ų31.40%015%0.152CC..Hα-helixtrans-59.5-42.2175.8-67.6174.8000113.3P16 S17 D19 A20 K21 M26 A27 F186 A190 P191P16-L23 HydrophobicContact CG-CD2 3.62Å; S17-L23 WeakPolarHBondContact O-CD1 3.15Å; S17-L23 WeakPolarHBondContact O-CD2 3.45Å; S17-L23 WeakPolarHBondContact O-CG 3.36Å; D19-L23 PolarHBondContact O-N 2.93Å; D19-L23 VanDerWaalsContact O-N 3.1Å; A20-L23 PolarHBondContact O-N 2.98Å; K21-L23 VanDerWaalsContact C-N 3.28Å; K21-L23 PolarHBondContact O-N 2.97Å; L23-M26 PolarHBondContact O-N 3.32Å; L23-A27 WeakPolarHBondContact O-CB 3.28Å; L23-A27 PolarHBondContact O-N 2.88Å; L23-F186 HydrophobicContact CB-CD1 4.37Å; L23-F186 HydrophobicContact CB-CE1 3.88Å; L23-F186 HydrophobicContact CD2-CE1 4.14Å; L23-F186 HydrophobicContact CD2-CZ 4.28Å; L23-F186 HydrophobicContact CG-CE1 4.5Å; L23-A190 HydrophobicContact CD1-CB 3.88Å; L23-P191 HydrophobicContact CD1-CG 3.67Å
24Q92.3Very high89.2Confident7 Ų729 Ų293%0.03314%0.143CC..Hα-helixtrans-61.3-46.4177.8-65.6173.6-200112A20 K21 C22 C28 V89 F184 C188A20-Q24 VanDerWaalsContact O-CG 3.23Å; A20-Q24 WeakPolarHBondContact O-CG 3.22Å; A20-Q24 PolarHBondContact O-N 2.69Å; K21-Q24 WeakPolarHBondContact O-CB 3.42Å; K21-Q24 PolarHBondContact O-N 3.2Å; K21-Q24 VanDerWaalsContact O-N 3.11Å; C22-Q24 PolarHBondContact O-N 2.72Å; Q24-C28 WeakPolarHBondContact O-CB 3.43Å; Q24-C28 PolarHBondContact O-N 3.11Å; Q24-V89 HydrophobicContact CB-CG1 4.06Å; Q24-F184 HydrophobicContact CG-CD2 4.49Å; Q24-F184 VanDerWaalsContact NE2-CD2 3.32Å; Q24-F184 PolarHBondContact NE2-O 3.45Å; Q24-C188 PolarHBondContact NE2-SG 3.38Å; Q24-C188 VanDerWaalsContact NE2-SG 3.35Å
25Y90.9Very high89Confident42 Ų4228.3 Ų28.317%0.16514%0.144CC..Hα-helixtrans-68.2-37.2178.8-83.5-95.5000111.7K21 C22 A29 P52 F54 V85 V86 V89K21-Y25 VanDerWaalsContact O-CD2 3.29Å; K21-Y25 WeakPolarHBondContact O-CD2 3.31Å; K21-Y25 PolarHBondContact O-N 3.28Å; C22-Y25 PolarHBondContact O-N 3.4Å; Y25-A29 WeakPolarHBondContact O-CB 3.49Å; Y25-A29 PolarHBondContact O-N 3.45Å; Y25-P52 HydrophobicContact CD2-CG 3.55Å; Y25-P52 HydrophobicContact CE2-CG 4.12Å; Y25-P52 HydrophobicContact CG-CG 3.8Å; Y25-F54 AromaticContact CD1-CE2 3.73Å; Y25-F54 HydrophobicContact CD1-CE2 3.73Å; Y25-F54 HydrophobicContact CD1-CZ 4.02Å; Y25-F54 HydrophobicContact CE1-CE2 4.03Å; Y25-V85 HydrophobicContact CD1-CG1 4.14Å; Y25-V86 HydrophobicContact CE1-CB 4.34Å; Y25-V86 HydrophobicContact CE1-CG1 4.45Å; Y25-V86 HydrophobicContact CE1-CG2 4.02Å; Y25-V89 HydrophobicContact CD1-CG2 4.49Å; Y25-V89 HydrophobicContact CD2-CB 4.44Å; Y25-V89 HydrophobicContact CD2-CG1 3.88Å; Y25-V89 HydrophobicContact CD2-CG2 4.43Å; Y25-V89 HydrophobicContact CE1-CB 4.43Å; Y25-V89 HydrophobicContact CE2-CB 4.1Å; Y25-V89 HydrophobicContact CE2-CG1 3.5Å; Y25-V89 VanDerWaalsContact CE2-CG1 3.5Å; Y25-V89 HydrophobicContact CG-CG2 4.41Å
26M91.3Very high88.8Confident4 Ų429.3 Ų29.32%0.0215%0.15CC..Hα-helixtrans-63.8-50.6175.3-70.3171.169.900111.6L6 V8 P16 C22 L23 C28 A29 K30 I38 M225L6-M26 HydrophobicContact CD2-CG 4.09Å; V8-M26 HydrophobicContact CB-SD 4.18Å; V8-M26 HydrophobicContact CG1-CG 3.94Å; V8-M26 HydrophobicContact CG1-SD 3.81Å; V8-M26 HydrophobicContact CG2-SD 4.09Å; P16-M26 HydrophobicContact CB-CE 3.68Å; P16-M26 HydrophobicContact CG-CE 4.17Å; C22-M26 WeakPolarHBondContact O-CB 3.34Å; C22-M26 WeakPolarHBondContact O-CG 3.41Å; C22-M26 PolarHBondContact O-N 3.37Å; L23-M26 PolarHBondContact O-N 3.32Å; M26-C28 PolarHBondContact O-N 3.41Å; M26-A29 PolarHBondContact O-N 3.05Å; M26-K30 WeakPolarHBondContact O-CG 3.36Å; M26-K30 PolarHBondContact O-N 3.09Å; M26-I38 HydrophobicContact CE-CD1 3.62Å; M26-I38 HydrophobicContact CE-CG1 4.1Å; M26-I38 HydrophobicContact CE-CG2 3.8Å; M26-I38 HydrophobicContact CG-CG1 4.47Å; M26-I38 HydrophobicContact SD-CG2 4.37Å; M26-M225 HydrophobicContact CB-CE 4.14Å; M26-M225 HydrophobicContact CB-SD 3.79Å; M26-M225 HydrophobicContact CE-SD 3.82Å
27A92Very high88.8Confident0 Ų035.4 Ų35.40%017%0.171CC..Hα-helixtrans-59.6-48.4176.900000111.3L23 A29 K30 F31 A183 F186 M225L23-A27 WeakPolarHBondContact O-CB 3.28Å; L23-A27 PolarHBondContact O-N 2.88Å; A27-A29 VanDerWaalsContact C-N 3.34Å; A27-A29 PolarHBondContact O-N 3.01Å; A27-K30 PolarHBondContact O-N 3.43Å; A27-K30 VanDerWaalsContact O-N 3.16Å; A27-F31 HydrophobicContact CB-CE2 4.34Å; A27-F31 HydrophobicContact CB-CZ 4.26Å; A27-F31 WeakPolarHBondContact O-CD1 3.4Å; A27-F31 WeakPolarHBondContact O-CG 3.18Å; A27-F31 PolarHBondContact O-N 3.15Å; A27-A183 HydrophobicContact CB-CB 3.74Å; A27-F186 HydrophobicContact CB-CD1 3.68Å; A27-F186 HydrophobicContact CB-CE1 4.11Å; A27-M225 VanDerWaalsContact CA-CE 3.43Å; A27-M225 HydrophobicContact CB-CE 3.6Å
28C91Very high88.6Confident1 Ų138.3 Ų38.31%0.00719%0.186CC..Hα-helixtrans-65.4-37.8-178.9-169.80000112.1Q24 M26 K30 F31 C32 V85 V89 A183Q24-C28 WeakPolarHBondContact O-CB 3.43Å; Q24-C28 PolarHBondContact O-N 3.11Å; M26-C28 PolarHBondContact O-N 3.41Å; C28-K30 VanDerWaalsContact C-N 3.34Å; C28-K30 PolarHBondContact O-N 3.12Å; C28-F31 PolarHBondContact O-N 3.35Å; C28-C32 WeakPolarHBondContact O-CB 3.38Å; C28-C32 PolarHBondContact O-N 2.89Å; C28-C32 PolarHBondContact O-SG 2.63Å; C28-V85 HydrophobicContact CB-CG1 4.03Å; C28-V89 HydrophobicContact CB-CG2 3.64Å; C28-A183 HydrophobicContact CB-CB 3.83Å
29A89.8Confident88.6Confident5 Ų540.3 Ų40.34%0.04120%0.196CC..Hα-helixtrans-60.4-43.217300000111.9Y25 M26 A27 C32 E33 A34 V36 V85Y25-A29 WeakPolarHBondContact O-CB 3.49Å; Y25-A29 PolarHBondContact O-N 3.45Å; M26-A29 PolarHBondContact O-N 3.05Å; A27-A29 VanDerWaalsContact C-N 3.34Å; A27-A29 PolarHBondContact O-N 3.01Å; A29-C32 PolarHBondContact O-N 3.21Å; A29-E33 PolarHBondContact O-N 3.22Å; A29-A34 HydrophobicContact CB-CB 4.34Å; A29-A34 WeakPolarHBondContact O-CB 3.46Å; A29-A34 PolarHBondContact O-N 3.09Å; A29-V36 HydrophobicContact CB-CG2 4.29Å; A29-V85 HydrophobicContact CB-CG1 4.34Å; A29-V85 HydrophobicContact CB-CG2 4.36Å
30K90.3Very high88.4Confident83 Ų8343.8 Ų43.836%0.36122%0.219SC..Hα-helixtrans-67.5-42.7176.9-68.6-70.4-174.3171.30112.3M26 A27 C28 C32 E33 Y224M26-K30 WeakPolarHBondContact O-CG 3.36Å; M26-K30 PolarHBondContact O-N 3.09Å; A27-K30 PolarHBondContact O-N 3.43Å; A27-K30 VanDerWaalsContact O-N 3.16Å; C28-K30 VanDerWaalsContact C-N 3.34Å; C28-K30 PolarHBondContact O-N 3.12Å; K30-C32 VanDerWaalsContact C-N 3.29Å; K30-C32 PolarHBondContact O-N 3.32Å; K30-E33 WeakPolarHBondContact O-CA 3.48Å; K30-E33 PolarHBondContact O-N 3.49Å; K30-Y224 HydrophobicContact CB-CD1 3.92Å; K30-Y224 HydrophobicContact CB-CG 4.3Å; K30-Y224 WeakPolarHBondContact CD-O 3.41Å; K30-Y224 VanDerWaalsContact CE-O 3.26Å; K30-Y224 WeakPolarHBondContact CE-O 3.39Å
31F89.5Confident88.1Confident30 Ų3043.7 Ų43.713%0.13222%0.217CC..Hα-helixtrans-64.3-33.8177-62-13000112.8A27 C28 E33 F175 P178 S179 D182 A183 I220 Y224A27-F31 HydrophobicContact CB-CE2 4.34Å; A27-F31 HydrophobicContact CB-CZ 4.26Å; A27-F31 WeakPolarHBondContact O-CD1 3.4Å; A27-F31 WeakPolarHBondContact O-CG 3.18Å; A27-F31 PolarHBondContact O-N 3.15Å; C28-F31 PolarHBondContact O-N 3.35Å; F31-E33 PolarHBondContact O-N 3.29Å; F31-F175 HydrophobicContact CZ-CE2 4.15Å; F31-P178 HydrophobicContact CB-CB 4.33Å; F31-P178 HydrophobicContact CD1-CB 3.76Å; F31-P178 HydrophobicContact CD2-CB 4.05Å; F31-P178 HydrophobicContact CE1-CB 4.02Å; F31-P178 HydrophobicContact CE2-CB 4.26Å; F31-P178 HydrophobicContact CG-CB 3.8Å; F31-P178 HydrophobicContact CZ-CB 4.26Å; F31-S179 WeakPolarHBondContact CD2-O 3.47Å; F31-S179 WeakPolarHBondContact CE2-O 3.37Å; F31-D182 HydrophobicContact CE2-CB 4.06Å; F31-A183 HydrophobicContact CD2-CB 3.93Å; F31-A183 HydrophobicContact CE2-CB 3.73Å; F31-I220 HydrophobicContact CZ-CD1 4.13Å; F31-I220 HydrophobicContact CZ-CG1 4.28Å; F31-I220 HydrophobicContact CZ-CG2 4.48Å; F31-Y224 HydrophobicContact CD1-CD1 4.11Å; F31-Y224 HydrophobicContact CD1-CD2 4.33Å; F31-Y224 AromaticContact CD1-CE1 3.92Å; F31-Y224 HydrophobicContact CD1-CE1 3.92Å; F31-Y224 HydrophobicContact CD1-CE2 4.17Å; F31-Y224 HydrophobicContact CD1-CG 4.29Å; F31-Y224 AromaticContact CD1-CZ 3.94Å; F31-Y224 HydrophobicContact CE1-CD1 4.24Å; F31-Y224 AromaticContact CE1-CD2 3.66Å; F31-Y224 HydrophobicContact CE1-CD2 3.66Å; F31-Y224 HydrophobicContact CE1-CE1 4.19Å; F31-Y224 AromaticContact CE1-CE2 3.62Å; F31-Y224 HydrophobicContact CE1-CE2 3.62Å; F31-Y224 AromaticContact CE1-CG 3.97Å; F31-Y224 HydrophobicContact CE1-CG 3.97Å; F31-Y224 AromaticContact CE1-CZ 3.88Å
32C86Confident87.7Confident23 Ų2341 Ų4116%0.15521%0.21CC..THydrogen-bonded Turntrans-84.14.9174-630000113.1C28 A29 K30 A34 V85C28-C32 WeakPolarHBondContact O-CB 3.38Å; C28-C32 PolarHBondContact O-N 2.89Å; C28-C32 PolarHBondContact O-SG 2.63Å; A29-C32 PolarHBondContact O-N 3.21Å; K30-C32 VanDerWaalsContact C-N 3.29Å; K30-C32 PolarHBondContact O-N 3.32Å; C32-A34 PolarHBondContact O-N 2.98Å; C32-A34 VanDerWaalsContact O-N 3.07Å; C32-V85 HydrophobicContact CB-CG2 3.74Å
33E85.4Confident86.9Confident141 Ų14142.2 Ų42.266%0.65922%0.219SC*.THydrogen-bonded Turntrans49.433.8-174.4-62.4173.7-177.700112.5A29 K30 F31 R81A29-E33 PolarHBondContact O-N 3.22Å; K30-E33 WeakPolarHBondContact O-CA 3.48Å; K30-E33 PolarHBondContact O-N 3.49Å; F31-E33 PolarHBondContact O-N 3.29Å; E33-R81 PolarHBondContact O-NH1 3.23Å; E33-R81 IonicContact OE2-NH1 3.65Å; E33-R81 IonicContact OE2-NH2 3.55Å
34A83.7Confident85.6Confident11 Ų1142.5 Ų42.59%0.09122%0.221CC..  trans-69.3129-178.500000109.2A29 C32 V36 R81 V85A29-A34 HydrophobicContact CB-CB 4.34Å; A29-A34 WeakPolarHBondContact O-CB 3.46Å; A29-A34 PolarHBondContact O-N 3.09Å; C32-A34 PolarHBondContact O-N 2.98Å; C32-A34 VanDerWaalsContact O-N 3.07Å; A34-V36 HydrophobicContact CB-CG2 3.61Å; A34-V36 PolarHBondContact O-N 3.41Å; A34-R81 HydrophobicContact CB-CB 4.16Å; A34-V85 HydrophobicContact CB-CG2 4.29Å
35P81.2Confident84.1Confident75 Ų7550.3 Ų50.349%0.48725%0.25SC..  trans-76.174.9-178.731.6-35.1000110.2I78P35-I78 HydrophobicContact CG-CD1 4.43Å; P35-I78 HydrophobicContact CG-CG1 3.89Å
36V84Confident82.7Confident21 Ų2151 Ų5113%0.12726%0.261CS..EExtended strand (participates in β ladder)trans-116.2125.3-173.2-175.50000108.7L4 L6 A29 A34 F54L4-V36 HydrophobicContact CD2-CB 4.07Å; L4-V36 HydrophobicContact CD2-CG1 4.1Å; L4-V36 HydrophobicContact CD2-CG2 3.41Å; L4-V36 VanDerWaalsContact CD2-CG2 3.41Å; L6-V36 HydrophobicContact CB-CG1 3.36Å; A29-V36 HydrophobicContact CB-CG2 4.29Å; A34-V36 HydrophobicContact CB-CG2 3.61Å; A34-V36 PolarHBondContact O-N 3.41Å; V36-F54 HydrophobicContact CG1-CD1 4.48Å; V36-F54 HydrophobicContact CG1-CE1 4.15Å; V36-F54 HydrophobicContact CG2-CE1 4.31Å
37R85.6Confident81.3Confident141 Ų14153.1 Ų53.153%0.53227%0.274SS..EExtended strand (participates in β ladder)trans-82.5130.1170.6-171.8-177.3-174.7-164.85.4109.4L4 S5 L6 E39L4-R37 PolarHBondContact O-N 2.91Å; S5-R37 CarbonylContact C-O 3.22Å; S5-R37 WeakPolarHBondContact CA-O 3.33Å; L6-R37 PolarHBondContact N-O 3.47Å; R37-E39 IonicContact NH1-OE1 4Å
38I86.7Confident79.7Confident61 Ų6158.2 Ų58.231%0.31331%0.31SS..EExtended strand (participates in β ladder)trans-85.9127.9176.2-62.4150.9000108.1V8 M26V8-I38 HydrophobicContact CG2-CG2 3.48Å; V8-I38 VanDerWaalsContact CG2-CG2 3.48Å; M26-I38 HydrophobicContact CE-CD1 3.62Å; M26-I38 HydrophobicContact CE-CG1 4.1Å; M26-I38 HydrophobicContact CE-CG2 3.8Å; M26-I38 HydrophobicContact CG-CG1 4.47Å; M26-I38 HydrophobicContact SD-CG2 4.37Å
39E86.6Confident78.6Confident52 Ų5266.4 Ų66.424%0.24335%0.345CS..EExtended strand (participates in β ladder)trans-123.9111.4178.7-75179.1176.200109.7S5 L6 Q7 V8 R37 S41S5-E39 WeakPolarHBondContact CB-OE1 3.44Å; S5-E39 VanDerWaalsContact CB-OE2 3.23Å; S5-E39 WeakPolarHBondContact CB-OE2 3.17Å; S5-E39 VanDerWaalsContact OG-CD 3.27Å; S5-E39 PolarHBondContact OG-OE2 3.03Å; L6-E39 PolarHBondContact O-N 3.03Å; Q7-E39 VanDerWaalsContact CA-O 3.26Å; Q7-E39 WeakPolarHBondContact CA-O 3.48Å; Q7-E39 HydrophobicContact CG-CB 4.47Å; V8-E39 PolarHBondContact N-O 2.67Å; R37-E39 IonicContact NH1-OE1 4Å; E39-S41 PolarHBondContact O-N 2.88Å
40P86.7Confident77.7Confident90 Ų9067 Ų6758%0.58435%0.353SS*.EExtended strand (participates in β ladder)trans-64.7133.7173.426.9-32.2000109.4V8 P10V8-P40 CarbonylContact O-C 3.36Å; V8-P40 WeakPolarHBondContact O-CA 3.49Å; P10-P40 HydrophobicContact CB-CB 4.29Å
41S84.9Confident77.1Confident17 Ų1763.9 Ų63.912%0.11934%0.339CS..  trans-142.6147.9178.6-164.10000111.5V8 E39 S43 M51V8-S41 PolarHBondContact O-N 2.82Å; E39-S41 PolarHBondContact O-N 2.88Å; S41-S43 PolarHBondContact OG-N 2.95Å; S41-S43 PolarHBondContact OG-OG 3.49Å; S41-M51 WeakPolarHBondContact O-CE 3.31Å
42V80.6Confident76.7Confident56 Ų5663.7 Ų63.734%0.33934%0.341SS..  trans-115.328.3176-149.20000110.5W9 P10 P44 K127 L128W9-V42 HydrophobicContact CZ3-CG1 4.1Å; P10-V42 HydrophobicContact CG-CG2 4.47Å; V42-P44 WeakPolarHBondContact O-CD 3.44Å; V42-K127 HydrophobicContact CG1-CB 3.67Å; V42-K127 VanDerWaalsContact CG1-O 3.29Å; V42-K127 WeakPolarHBondContact CG1-O 3.13Å; V42-L128 HydrophobicContact CG1-CD2 3.8Å; V42-L128 HydrophobicContact CG1-CG 4.3Å
43S74.2Confident76.5Confident26 Ų2663.6 Ų63.618%0.18234%0.34CS..  trans-110.266.7-175.464.20000112.8S41 W45 S46S41-S43 PolarHBondContact OG-N 2.95Å; S41-S43 PolarHBondContact OG-OG 3.49Å; S43-W45 PolarHBondContact O-N 3.15Å; S43-S46 WeakPolarHBondContact O-CB 3.4Å; S43-S46 PolarHBondContact O-N 3.28Å
44P64Low76.3Confident7 Ų759.5 Ų59.55%0.04532%0.32CS..G310 helixtrans-62.7-16.2-178.525.7-33.6000113.5W9 V42 S46 L128 Y132W9-P44 HydrophobicContact CH2-CB 4.12Å; W9-P44 HydrophobicContact CH2-CG 4.04Å; W9-P44 HydrophobicContact CZ2-CB 4.16Å; V42-P44 WeakPolarHBondContact O-CD 3.44Å; P44-S46 VanDerWaalsContact C-N 3.31Å; P44-L128 HydrophobicContact CG-CD2 3.61Å; P44-Y132 HydrophobicContact CB-CE1 4.36Å; P44-Y132 HydrophobicContact CG-CD1 4.48Å; P44-Y132 HydrophobicContact CG-CE1 3.41Å; P44-Y132 VanDerWaalsContact CG-CE1 3.41Å; P44-Y132 WeakPolarHBondContact CG-OH 3.32Å
45W62.7Low76Confident170 Ų17062.7 Ų62.764%0.64433%0.332SS*.G310 helixtrans-74.8-12.6173.540.173.4000114.5S43 T47 Y132S43-W45 PolarHBondContact O-N 3.15Å; W45-T47 PolarHBondContact O-N 2.95Å; W45-Y132 HydrophobicContact CE3-CD2 4.45Å; W45-Y132 HydrophobicContact CE3-CE2 4.01Å; W45-Y132 HydrophobicContact CZ3-CD2 4.22Å; W45-Y132 HydrophobicContact CZ3-CE1 4.5Å; W45-Y132 HydrophobicContact CZ3-CE2 4.2Å; W45-Y132 HydrophobicContact CZ3-CG 4.35Å
46S61Low75.4Confident56 Ų5662 Ų6239%0.39232%0.324SS..G310 helixtrans-60.6-17.7177.8-171.90000112.3S43 P44S43-S46 WeakPolarHBondContact O-CB 3.4Å; S43-S46 PolarHBondContact O-N 3.28Å; P44-S46 VanDerWaalsContact C-N 3.31Å
47T61Low74.4Confident49 Ų4962.1 Ų62.130%0.30133%0.329SS..SBendtrans-151.1134.2178-46.20000111.4W45 K49 G50 V53W45-T47 PolarHBondContact O-N 2.95Å; T47-K49 PolarHBondContact O-N 3.47Å; T47-G50 PolarHBondContact O-N 3.39Å; T47-V53 WeakPolarHBondContact OG1-CG1 3.44Å; T47-V53 VanDerWaalsContact OG1-CG2 3.24Å; T47-V53 WeakPolarHBondContact OG1-CG2 3.23Å
48S59.5Low73.1Confident108 Ų10862.8 Ų62.876%0.75534%0.342SS*.THydrogen-bonded Turntrans-55.5-23.8-179640000114.5
49K66.4Low71.7Confident172 Ų17267.5 Ų67.575%0.74836%0.361SS*.THydrogen-bonded Turntrans-86.2-16.1-178.5-63.6-175.9-178.71760113.8T47T47-K49 PolarHBondContact O-N 3.47Å
50G71.9Confident70.2Confident19 Ų1965.4 Ų65.420%0.19635%0.351CS..  trans89.1-170.8-170.300000112.8T47T47-G50 PolarHBondContact O-N 3.39Å
51M77.1Confident68.7Low17 Ų1765.4 Ų65.48%0.08435%0.346CS..SBendtrans-86.7160.1177.9-68.4-138.8-7000112.7Q7 V8 W9 S41 V53Q7-M51 HydrophobicContact CB-SD 4.2Å; V8-M51 WeakPolarHBondContact O-CE 3.49Å; W9-M51 HydrophobicContact CB-CE 4.09Å; W9-M51 HydrophobicContact CD2-CE 3.5Å; W9-M51 HydrophobicContact CE3-CE 4.03Å; W9-M51 HydrophobicContact CG-CE 3.52Å; W9-M51 HydrophobicContact CZ2-CE 4.38Å; S41-M51 WeakPolarHBondContact O-CE 3.31Å; M51-V53 HydrophobicContact CG-CG2 4.48Å
52P82.3Confident67.2Low25 Ų2567 Ų6716%0.16236%0.36CS..  cis-76.9158.4-1.831.7-35.7000114.3L6 Q7 V8 Y25L6-P52 HydrophobicContact CD1-CB 3.87Å; Q7-P52 VanDerWaalsContact O-CA 3.25Å; Q7-P52 WeakPolarHBondContact O-CA 3.32Å; Q7-P52 WeakPolarHBondContact O-CB 3.46Å; V8-P52 HydrophobicContact CG1-CB 4.34Å; Y25-P52 HydrophobicContact CD2-CG 3.55Å; Y25-P52 HydrophobicContact CE2-CG 4.12Å; Y25-P52 HydrophobicContact CG-CG 3.8Å
53V81.1Confident65.9Low22 Ų2265.6 Ų65.613%0.13335%0.354CS..EExtended strand (participates in β ladder)trans-132.2127.7-178.2-175.40000110.9Q7 T47 M51Q7-V53 HydrophobicContact CB-CB 4.44Å; Q7-V53 PolarHBondContact N-O 3.4Å; Q7-V53 PolarHBondContact O-N 3.46Å; Q7-V53 VanDerWaalsContact O-N 3.1Å; T47-V53 WeakPolarHBondContact OG1-CG1 3.44Å; T47-V53 VanDerWaalsContact OG1-CG2 3.24Å; T47-V53 WeakPolarHBondContact OG1-CG2 3.23Å; M51-V53 HydrophobicContact CG-CG2 4.48Å
54F80.1Confident65Low54 Ų5470 Ų7024%0.23737%0.37CS..EExtended strand (participates in β ladder)trans-82124.1170.1-70.8-83.7000110.3L4 S5 L6 Y25 V36 I82 V85 V86L4-F54 HydrophobicContact CD2-CD1 4.3Å; S5-F54 CarbonylContact O-C 3.42Å; S5-F54 WeakPolarHBondContact O-CA 3.48Å; L6-F54 HydrophobicContact CB-CD1 4.23Å; L6-F54 HydrophobicContact CB-CE1 4.16Å; L6-F54 HydrophobicContact CD1-CD1 3.84Å; L6-F54 HydrophobicContact CD1-CD2 4.03Å; L6-F54 HydrophobicContact CD1-CE1 3.71Å; L6-F54 HydrophobicContact CD1-CE2 3.89Å; L6-F54 HydrophobicContact CD1-CG 4Å; L6-F54 HydrophobicContact CD1-CZ 3.74Å; L6-F54 HydrophobicContact CD2-CE1 4.38Å; L6-F54 HydrophobicContact CD2-CZ 4.44Å; L6-F54 HydrophobicContact CG-CE1 4.3Å; Y25-F54 AromaticContact CD1-CE2 3.73Å; Y25-F54 HydrophobicContact CD1-CE2 3.73Å; Y25-F54 HydrophobicContact CD1-CZ 4.02Å; Y25-F54 HydrophobicContact CE1-CE2 4.03Å; V36-F54 HydrophobicContact CG1-CD1 4.48Å; V36-F54 HydrophobicContact CG1-CE1 4.15Å; V36-F54 HydrophobicContact CG2-CE1 4.31Å; F54-I82 HydrophobicContact CD1-CG2 4.31Å; F54-I82 HydrophobicContact CD2-CG2 4.39Å; F54-I82 HydrophobicContact CE1-CG2 4.3Å; F54-I82 HydrophobicContact CE2-CG2 4.39Å; F54-I82 HydrophobicContact CG-CG2 4.35Å; F54-I82 HydrophobicContact CZ-CG2 4.34Å; F54-V85 HydrophobicContact CZ-CG1 4.34Å; F54-V86 HydrophobicContact CD2-CG2 4.32Å; F54-V86 HydrophobicContact CE2-CG2 3.77Å
55K77.7Confident64.7Low78 Ų7878.4 Ų78.434%0.33941%0.406SS..EExtended strand (participates in β ladder)trans-104.5124.9170.1-74.2-171.7173.6172.70109.7S5 Q7S5-K55 PolarHBondContact N-O 2.87Å; S5-K55 PolarHBondContact O-N 2.71Å; Q7-K55 HydrophobicContact CG-CD 3.98Å; Q7-K55 HydrophobicContact CG-CG 4.26Å
56L69.2Low64.3Low62 Ų6276.6 Ų76.633%0.32541%0.409SS..  trans-95.5121174.9-156.570000108.4L4 M60 L61L4-L56 HydrophobicContact CD1-CD1 3.3Å; L56-M60 HydrophobicContact CD1-CB 4.06Å; L56-M60 HydrophobicContact CD1-CE 3.89Å; L56-M60 HydrophobicContact CD1-CG 4.44Å; L56-M60 HydrophobicContact CD2-CB 4.25Å; L56-M60 HydrophobicContact CG-CB 3.76Å; L56-L61 HydrophobicContact CD2-CG 4.23Å
57G63.3Low64Low23 Ų2378 Ų7824%0.23742%0.418CS..  trans-60.7149.1179.200000112.7F59 M60 L61G57-F59 PolarHBondContact O-N 3.28Å; G57-F59 VanDerWaalsContact O-N 3.11Å; G57-M60 WeakPolarHBondContact O-CB 3.37Å; G57-M60 PolarHBondContact O-N 2.83Å; G57-L61 PolarHBondContact O-N 3.49Å; G57-L61 VanDerWaalsContact O-N 3.12Å
58L58.5Low63.7Low155 Ų15579.8 Ų79.881%0.81244%0.438SS*.Hα-helixtrans-50.8-37.3179.9-86.7149.7000113.6L61 A62L58-L61 WeakPolarHBondContact O-CB 3.02Å; L58-L61 PolarHBondContact O-N 3.07Å; L58-A62 WeakPolarHBondContact O-CB 3.38Å; L58-A62 PolarHBondContact O-N 3.49Å
59F55.8Low63.5Low159 Ų15981.3 Ų81.370%0.69744%0.437SS*.Hα-helixtrans-69.2-35.8178.5-133.4-87.5000112.9S2 G57 L61 A62 A63S2-F59 VanDerWaalsContact CB-CB 3.44Å; G57-F59 PolarHBondContact O-N 3.28Å; G57-F59 VanDerWaalsContact O-N 3.11Å; F59-L61 VanDerWaalsContact C-N 3.32Å; F59-A62 PolarHBondContact O-N 3.16Å; F59-A63 VanDerWaalsContact O-CB 3.27Å; F59-A63 WeakPolarHBondContact O-CB 3.45Å; F59-A63 PolarHBondContact O-N 3.01Å
60M55.2Low63.4Low9 Ų977.2 Ų77.24%0.04443%0.43CS..Hα-helixtrans-67.1-37.9173.8-71.4-83.7-70.200109.8L56 G57 A63 F64 M75 I78L56-M60 HydrophobicContact CD1-CB 4.06Å; L56-M60 HydrophobicContact CD1-CE 3.89Å; L56-M60 HydrophobicContact CD1-CG 4.44Å; L56-M60 HydrophobicContact CD2-CB 4.25Å; L56-M60 HydrophobicContact CG-CB 3.76Å; G57-M60 WeakPolarHBondContact O-CB 3.37Å; G57-M60 PolarHBondContact O-N 2.83Å; M60-A63 PolarHBondContact O-N 3.41Å; M60-F64 WeakPolarHBondContact O-CB 3.27Å; M60-F64 PolarHBondContact O-N 3.35Å; M60-M75 HydrophobicContact CB-CE 3.93Å; M60-M75 HydrophobicContact CB-SD 4.26Å; M60-M75 HydrophobicContact CE-CE 3.75Å; M60-M75 HydrophobicContact CE-SD 3.37Å; M60-M75 WeakPolarHBondContact CE-SD 3.28Å; M60-M75 HydrophobicContact CG-SD 4.31Å; M60-M75 WeakPolarHBondContact O-CE 3.4Å; M60-M75 HydrophobicContact SD-CE 4Å; M60-M75 HydrophobicContact SD-SD 3.17Å; M60-I78 HydrophobicContact CE-CB 4.26Å; M60-I78 HydrophobicContact CE-CD1 3.81Å; M60-I78 HydrophobicContact CE-CG2 3.76Å; M60-I78 HydrophobicContact SD-CD1 4.27Å
61L56.2Low63Low89 Ų8980.9 Ų80.947%0.46645%0.446SS..Hα-helixtrans-65.1-42172.4-86.3156.4000112.7L56 G57 L58 F59 F64 K65L56-L61 HydrophobicContact CD2-CG 4.23Å; G57-L61 PolarHBondContact O-N 3.49Å; G57-L61 VanDerWaalsContact O-N 3.12Å; L58-L61 WeakPolarHBondContact O-CB 3.02Å; L58-L61 PolarHBondContact O-N 3.07Å; F59-L61 VanDerWaalsContact C-N 3.32Å; L61-F64 WeakPolarHBondContact O-CB 3.44Å; L61-F64 PolarHBondContact O-N 3.45Å; L61-K65 PolarHBondContact O-N 3.35Å; L61-K65 VanDerWaalsContact O-N 3.11Å
62A53.9Low62.5Low51 Ų5181.5 Ų81.542%0.42145%0.453SS..Hα-helixtrans-67.3-40.6176.100000111.7L58 F59 F64 K65 N66L58-A62 WeakPolarHBondContact O-CB 3.38Å; L58-A62 PolarHBondContact O-N 3.49Å; F59-A62 PolarHBondContact O-N 3.16Å; A62-F64 VanDerWaalsContact C-N 3.29Å; A62-F64 PolarHBondContact O-N 3.25Å; A62-K65 PolarHBondContact O-N 3.47Å; A62-N66 PolarHBondContact O-N 3.2Å
63A53.1Low61.9Low26 Ų2686.1 Ų86.122%0.21548%0.476CS..Hα-helixtrans-64.2-33.8172.900000112.3F59 M60 K65 N66 M75F59-A63 VanDerWaalsContact O-CB 3.27Å; F59-A63 WeakPolarHBondContact O-CB 3.45Å; F59-A63 PolarHBondContact O-N 3.01Å; M60-A63 PolarHBondContact O-N 3.41Å; A63-K65 VanDerWaalsContact C-N 3.34Å; A63-N66 CarbonylContact O-C 3.57Å; A63-N66 PolarHBondContact O-N 2.94Å; A63-M75 HydrophobicContact CB-CG 4.4Å; A63-M75 HydrophobicContact CB-SD 4.37Å
64F55.7Low61.5Low120 Ų12093.4 Ų93.453%0.52650%0.501SS..Hα-helixtrans-64.2-39.2172.8-169.3-92.8000111.8M60 L61 A62 M75 I79M60-F64 WeakPolarHBondContact O-CB 3.27Å; M60-F64 PolarHBondContact O-N 3.35Å; L61-F64 WeakPolarHBondContact O-CB 3.44Å; L61-F64 PolarHBondContact O-N 3.45Å; A62-F64 VanDerWaalsContact C-N 3.29Å; A62-F64 PolarHBondContact O-N 3.25Å; F64-M75 HydrophobicContact CB-CE 4.28Å; F64-I79 HydrophobicContact CD2-CD1 4.08Å; F64-I79 HydrophobicContact CE2-CD1 3.94Å
65K56.6Low61Low182 Ų18291.4 Ų91.479%0.79149%0.493SS*.Hα-helixtrans-69.6-36.9175-76.9-174.4174.6-175.70112.6L61 A62 A63 C67L61-K65 PolarHBondContact O-N 3.35Å; L61-K65 VanDerWaalsContact O-N 3.11Å; A62-K65 PolarHBondContact O-N 3.47Å; A63-K65 VanDerWaalsContact C-N 3.34Å; K65-C67 PolarHBondContact O-N 3.07Å
66N54.9Low60.8Low133 Ų13392.6 Ų92.671%0.71150%0.502SS*.  trans-98.362.3179.7-70.2-9.7000111.3A62 A63 A68A62-N66 PolarHBondContact O-N 3.2Å; A63-N66 CarbonylContact O-C 3.57Å; A63-N66 PolarHBondContact O-N 2.94Å; N66-A68 VanDerWaalsContact C-N 3.26Å; N66-A68 PolarHBondContact O-N 3.42Å
67C54.2Low61.2Low86 Ų8694.1 Ų94.158%0.58151%0.51SS*.  trans-79.766.9179.1-123.20000111.1K65 A72K65-C67 PolarHBondContact O-N 3.07Å; C67-A72 VanDerWaalsContact SG-CB 3.57Å
68A55Low61.9Low86 Ų8694.6 Ų94.671%0.71151%0.507SS*.SBendtrans-125.2-6.8-17800000115.5N66N66-A68 VanDerWaalsContact C-N 3.26Å; N66-A68 PolarHBondContact O-N 3.42Å
69N56Low62.8Low140 Ų14090.1 Ų90.175%0.74948%0.483SS*.SBendtrans-160.5168.9171.3-114.4-27000113.2N71 A72N69-N71 WeakPolarHBondContact O-CA 3.37Å; N69-N71 PolarHBondContact O-N 2.86Å; N69-A72 PolarHBondContact O-N 3.33Å
70S62.7Low64Low86 Ų8687.9 Ų87.960%0.60148%0.478SS*.THydrogen-bonded Turntrans-18.6-27.7-168820000120.7A72 L73S70-A72 PolarHBondContact O-N 3.38Å; S70-L73 PolarHBondContact O-N 2.98Å
71N64.5Low65.3Low96 Ų9691.7 Ų91.751%0.51349%0.492SS..Hα-helixtrans-59.8-28.3167.3-72.2-24000113.2N69 L73 R74 M75N69-N71 WeakPolarHBondContact O-CA 3.37Å; N69-N71 PolarHBondContact O-N 2.86Å; N71-L73 VanDerWaalsContact C-N 3.34Å; N71-L73 PolarHBondContact O-N 3.24Å; N71-R74 PolarHBondContact O-N 2.92Å; N71-M75 WeakPolarHBondContact O-CB 2.93Å; N71-M75 VanDerWaalsContact O-CG 3.23Å; N71-M75 WeakPolarHBondContact O-CG 2.93Å; N71-M75 PolarHBondContact O-N 2.92Å
72A66.9Low66.4Low30 Ų3088.7 Ų88.725%0.24848%0.476CS..Hα-helixtrans-59-41.4176.700000112.8C67 N69 S70 M75 L76C67-A72 VanDerWaalsContact SG-CB 3.57Å; N69-A72 PolarHBondContact O-N 3.33Å; S70-A72 PolarHBondContact O-N 3.38Å; A72-M75 WeakPolarHBondContact O-CB 3.37Å; A72-M75 PolarHBondContact O-N 3.4Å; A72-L76 WeakPolarHBondContact O-CB 3.33Å; A72-L76 PolarHBondContact O-N 3.41Å
73L70Confident67.8Low122 Ų12288.6 Ų88.664%0.63948%0.475SS*.Hα-helixtrans-67.1-43.4177.1-76.4171.7000111.7S70 N71 M75 L76 I77S70-L73 PolarHBondContact O-N 2.98Å; N71-L73 VanDerWaalsContact C-N 3.34Å; N71-L73 PolarHBondContact O-N 3.24Å; L73-M75 VanDerWaalsContact C-N 3.3Å; L73-M75 PolarHBondContact O-N 3.43Å; L73-L76 PolarHBondContact O-N 2.78Å; L73-I77 VanDerWaalsContact O-CG1 3.29Å; L73-I77 WeakPolarHBondContact O-CG1 3.45Å; L73-I77 PolarHBondContact O-N 2.98Å
74R72.5Confident69.2Low174 Ų17493.5 Ų93.566%0.65749%0.492SS*.Hα-helixtrans-59.8-43175.2-70.9-178.6172.3-179.9-2.7111.4N71 I77 I78N71-R74 PolarHBondContact O-N 2.92Å; R74-I77 PolarHBondContact O-N 3.44Å; R74-I78 VanDerWaalsContact O-CG1 3.31Å; R74-I78 WeakPolarHBondContact O-CG1 3.39Å; R74-I78 PolarHBondContact O-N 3.04Å; R74-I78 VanDerWaalsContact O-N 3.07Å
75M69.3Low70.6Confident12 Ų1287.8 Ų87.86%0.05947%0.467CS..Hα-helixtrans-60.6-46.8175.2-74.1-66.3-67.700111.9M60 A63 F64 N71 A72 L73 I77 I78 I79M60-M75 HydrophobicContact CB-CE 3.93Å; M60-M75 HydrophobicContact CB-SD 4.26Å; M60-M75 HydrophobicContact CE-CE 3.75Å; M60-M75 HydrophobicContact CE-SD 3.37Å; M60-M75 WeakPolarHBondContact CE-SD 3.28Å; M60-M75 HydrophobicContact CG-SD 4.31Å; M60-M75 WeakPolarHBondContact O-CE 3.4Å; M60-M75 HydrophobicContact SD-CE 4Å; M60-M75 HydrophobicContact SD-SD 3.17Å; A63-M75 HydrophobicContact CB-CG 4.4Å; A63-M75 HydrophobicContact CB-SD 4.37Å; F64-M75 HydrophobicContact CB-CE 4.28Å; N71-M75 WeakPolarHBondContact O-CB 2.93Å; N71-M75 VanDerWaalsContact O-CG 3.23Å; N71-M75 WeakPolarHBondContact O-CG 2.93Å; N71-M75 PolarHBondContact O-N 2.92Å; A72-M75 WeakPolarHBondContact O-CB 3.37Å; A72-M75 PolarHBondContact O-N 3.4Å; L73-M75 VanDerWaalsContact C-N 3.3Å; L73-M75 PolarHBondContact O-N 3.43Å; M75-I77 VanDerWaalsContact C-N 3.32Å; M75-I77 PolarHBondContact O-N 3.17Å; M75-I78 PolarHBondContact O-N 2.84Å; M75-I79 VanDerWaalsContact O-CG1 3.32Å; M75-I79 WeakPolarHBondContact O-CG1 3.18Å; M75-I79 PolarHBondContact O-N 2.91Å
76L73.6Confident71.9Confident103 Ų10381.7 Ų81.754%0.53944%0.444SS..Hα-helixtrans-60.6-42.7178.7-170.470.7000111.3A72 L73 I78 I79 N80A72-L76 WeakPolarHBondContact O-CB 3.33Å; A72-L76 PolarHBondContact O-N 3.41Å; L73-L76 PolarHBondContact O-N 2.78Å; L76-I78 PolarHBondContact O-N 3.39Å; L76-I79 PolarHBondContact O-N 2.98Å; L76-N80 WeakPolarHBondContact O-CB 3.36Å; L76-N80 PolarHBondContact O-N 2.89Å
77I78.3Confident73.3Confident95 Ų9581.9 Ų81.949%0.48744%0.439SS..Hα-helixtrans-59.9-45.8176.1-66.8163000110.8L73 R74 M75 N80 R81L73-I77 VanDerWaalsContact O-CG1 3.29Å; L73-I77 WeakPolarHBondContact O-CG1 3.45Å; L73-I77 PolarHBondContact O-N 2.98Å; R74-I77 PolarHBondContact O-N 3.44Å; M75-I77 VanDerWaalsContact C-N 3.32Å; M75-I77 PolarHBondContact O-N 3.17Å; I77-N80 PolarHBondContact O-N 3.4Å; I77-R81 WeakPolarHBondContact O-CG 3.43Å; I77-R81 PolarHBondContact O-N 3.39Å
78I77.8Confident74.8Confident33 Ų3378.8 Ų78.817%0.16942%0.419CS..Hα-helixtrans-62-47.3178.5-66.4165.8000110.5P35 M60 R74 M75 L76 N80 R81 I82P35-I78 HydrophobicContact CG-CD1 4.43Å; P35-I78 HydrophobicContact CG-CG1 3.89Å; M60-I78 HydrophobicContact CE-CB 4.26Å; M60-I78 HydrophobicContact CE-CD1 3.81Å; M60-I78 HydrophobicContact CE-CG2 3.76Å; M60-I78 HydrophobicContact SD-CD1 4.27Å; R74-I78 VanDerWaalsContact O-CG1 3.31Å; R74-I78 WeakPolarHBondContact O-CG1 3.39Å; R74-I78 PolarHBondContact O-N 3.04Å; R74-I78 VanDerWaalsContact O-N 3.07Å; M75-I78 PolarHBondContact O-N 2.84Å; L76-I78 PolarHBondContact O-N 3.39Å; I78-N80 VanDerWaalsContact C-N 3.33Å; I78-N80 PolarHBondContact O-N 3.43Å; I78-R81 PolarHBondContact O-N 2.67Å; I78-I82 HydrophobicContact CG2-CD1 3.82Å; I78-I82 HydrophobicContact CG2-CG1 4.48Å; I78-I82 WeakPolarHBondContact O-CD1 3.34Å; I78-I82 VanDerWaalsContact O-CG1 3.29Å; I78-I82 WeakPolarHBondContact O-CG1 3.44Å; I78-I82 PolarHBondContact O-N 3.15Å
79I76.4Confident76.2Confident61 Ų6175 Ų7531%0.31339%0.386SS..Hα-helixtrans-59.7-45177.9-68166.3000110.6F64 M75 L76 R81 I82 A83F64-I79 HydrophobicContact CD2-CD1 4.08Å; F64-I79 HydrophobicContact CE2-CD1 3.94Å; M75-I79 VanDerWaalsContact O-CG1 3.32Å; M75-I79 WeakPolarHBondContact O-CG1 3.18Å; M75-I79 PolarHBondContact O-N 2.91Å; L76-I79 PolarHBondContact O-N 2.98Å; I79-R81 VanDerWaalsContact C-N 3.35Å; I79-R81 PolarHBondContact O-N 2.85Å; I79-I82 PolarHBondContact O-N 3.23Å; I79-A83 WeakPolarHBondContact O-CB 3.45Å; I79-A83 PolarHBondContact O-N 3.25Å
80N80.9Confident77.5Confident112 Ų11274 Ų7460%0.59938%0.376SS*.Hα-helixtrans-64-39.7179.2-122.3-8.9000111.8L76 I77 I78 A83 K84L76-N80 WeakPolarHBondContact O-CB 3.36Å; L76-N80 PolarHBondContact O-N 2.89Å; I77-N80 PolarHBondContact O-N 3.4Å; I78-N80 VanDerWaalsContact C-N 3.33Å; I78-N80 PolarHBondContact O-N 3.43Å; N80-A83 PolarHBondContact O-N 3.37Å; N80-K84 VanDerWaalsContact O-CB 3.31Å; N80-K84 WeakPolarHBondContact O-CB 3.47Å; N80-K84 PolarHBondContact O-N 3.32Å
81R82.5Confident78.6Confident89 Ų8972.2 Ų72.234%0.33636%0.361SS..Hα-helixtrans-63.1-44174.6-74.3-173.2-177.9-147.3-8.3111.4E33 A34 I77 I78 I79 K84 V85E33-R81 PolarHBondContact O-NH1 3.23Å; E33-R81 IonicContact OE2-NH1 3.65Å; E33-R81 IonicContact OE2-NH2 3.55Å; A34-R81 HydrophobicContact CB-CB 4.16Å; I77-R81 WeakPolarHBondContact O-CG 3.43Å; I77-R81 PolarHBondContact O-N 3.39Å; I78-R81 PolarHBondContact O-N 2.67Å; I79-R81 VanDerWaalsContact C-N 3.35Å; I79-R81 PolarHBondContact O-N 2.85Å; R81-K84 WeakPolarHBondContact O-CB 3.39Å; R81-K84 PolarHBondContact O-N 3.49Å; R81-V85 VanDerWaalsContact O-CG2 3.3Å; R81-V85 WeakPolarHBondContact O-CG2 3.1Å; R81-V85 PolarHBondContact O-N 3.4Å
82I80.5Confident79.4Confident25 Ų2567.8 Ų67.813%0.12834%0.337CS..Hα-helixtrans-64.2-47.2176.5-61.5158.2000110.7L4 F54 I78 I79 K84 V85 V86L4-I82 HydrophobicContact CD1-CD1 3.43Å; L4-I82 VanDerWaalsContact CD1-CD1 3.43Å; L4-I82 HydrophobicContact CD1-CG1 4.44Å; L4-I82 HydrophobicContact CD2-CD1 3.45Å; L4-I82 VanDerWaalsContact CD2-CD1 3.45Å; L4-I82 HydrophobicContact CD2-CG1 3.67Å; L4-I82 HydrophobicContact CG-CD1 4.06Å; F54-I82 HydrophobicContact CD1-CG2 4.31Å; F54-I82 HydrophobicContact CD2-CG2 4.39Å; F54-I82 HydrophobicContact CE1-CG2 4.3Å; F54-I82 HydrophobicContact CE2-CG2 4.39Å; F54-I82 HydrophobicContact CG-CG2 4.35Å; F54-I82 HydrophobicContact CZ-CG2 4.34Å; I78-I82 HydrophobicContact CG2-CD1 3.82Å; I78-I82 HydrophobicContact CG2-CG1 4.48Å; I78-I82 WeakPolarHBondContact O-CD1 3.34Å; I78-I82 VanDerWaalsContact O-CG1 3.29Å; I78-I82 WeakPolarHBondContact O-CG1 3.44Å; I78-I82 PolarHBondContact O-N 3.15Å; I79-I82 PolarHBondContact O-N 3.23Å; I82-K84 PolarHBondContact O-N 2.97Å; I82-V85 WeakPolarHBondContact O-CB 3.19Å; I82-V85 PolarHBondContact O-N 2.9Å; I82-V85 VanDerWaalsContact O-N 3.08Å; I82-V86 HydrophobicContact CG2-CG2 4.15Å; I82-V86 WeakPolarHBondContact O-CG2 3.36Å; I82-V86 PolarHBondContact O-N 2.67Å
83A82.4Confident80Confident49 Ų4968.1 Ų68.141%0.40534%0.338SS..Hα-helixtrans-57.3-42.5178.100000110.6I79 N80 V86 F87I79-A83 WeakPolarHBondContact O-CB 3.45Å; I79-A83 PolarHBondContact O-N 3.25Å; N80-A83 PolarHBondContact O-N 3.37Å; A83-V86 PolarHBondContact O-N 2.95Å; A83-F87 WeakPolarHBondContact O-CB 3.17Å; A83-F87 PolarHBondContact O-N 3.09Å
84K83.3Confident80.5Confident129 Ų12968.9 Ų68.956%0.56134%0.336SS*.Hα-helixtrans-59.3-48.2173.2-172177.8-178.5-179.70111.8N80 R81 I82 F87 C88N80-K84 VanDerWaalsContact O-CB 3.31Å; N80-K84 WeakPolarHBondContact O-CB 3.47Å; N80-K84 PolarHBondContact O-N 3.32Å; R81-K84 WeakPolarHBondContact O-CB 3.39Å; R81-K84 PolarHBondContact O-N 3.49Å; I82-K84 PolarHBondContact O-N 2.97Å; K84-F87 PolarHBondContact O-N 2.9Å; K84-C88 WeakPolarHBondContact O-CB 3.31Å; K84-C88 PolarHBondContact O-N 3.37Å; K84-C88 PolarHBondContact O-SG 3.14Å
85V83.9Confident80.7Confident1 Ų164.1 Ų64.11%0.00632%0.323CS..Hα-helixtrans-58.8-51.5178171.60000111.4Y25 C28 A29 C32 A34 F54 R81 I82 F87 C88 V89Y25-V85 HydrophobicContact CD1-CG1 4.14Å; C28-V85 HydrophobicContact CB-CG1 4.03Å; A29-V85 HydrophobicContact CB-CG1 4.34Å; A29-V85 HydrophobicContact CB-CG2 4.36Å; C32-V85 HydrophobicContact CB-CG2 3.74Å; A34-V85 HydrophobicContact CB-CG2 4.29Å; F54-V85 HydrophobicContact CZ-CG1 4.34Å; R81-V85 VanDerWaalsContact O-CG2 3.3Å; R81-V85 WeakPolarHBondContact O-CG2 3.1Å; R81-V85 PolarHBondContact O-N 3.4Å; I82-V85 WeakPolarHBondContact O-CB 3.19Å; I82-V85 PolarHBondContact O-N 2.9Å; I82-V85 VanDerWaalsContact O-N 3.08Å; V85-F87 VanDerWaalsContact C-N 3.34Å; V85-F87 PolarHBondContact O-N 3.17Å; V85-C88 PolarHBondContact O-N 3.11Å; V85-V89 WeakPolarHBondContact O-CG2 3.49Å; V85-V89 PolarHBondContact O-N 3.4Å
86V84Confident80.5Confident53 Ų5366.1 Ų66.132%0.32135%0.347SS..Hα-helixtrans-61.6-44.8-179.8179.60000110.8Y25 F54 I82 A83 F90Y25-V86 HydrophobicContact CE1-CB 4.34Å; Y25-V86 HydrophobicContact CE1-CG1 4.45Å; Y25-V86 HydrophobicContact CE1-CG2 4.02Å; F54-V86 HydrophobicContact CD2-CG2 4.32Å; F54-V86 HydrophobicContact CE2-CG2 3.77Å; I82-V86 HydrophobicContact CG2-CG2 4.15Å; I82-V86 WeakPolarHBondContact O-CG2 3.36Å; I82-V86 PolarHBondContact O-N 2.67Å; A83-V86 PolarHBondContact O-N 2.95Å; V86-F90 WeakPolarHBondContact O-CB 3.19Å; V86-F90 PolarHBondContact O-N 3.28Å
87F85.3Confident80.2Confident137 Ų13764.4 Ų64.460%0.60134%0.342SS*.Hα-helixtrans-63.1-48.1178.9-176.9-100.5000111.6A83 K84 V85 V89 F90 V91A83-F87 WeakPolarHBondContact O-CB 3.17Å; A83-F87 PolarHBondContact O-N 3.09Å; K84-F87 PolarHBondContact O-N 2.9Å; V85-F87 VanDerWaalsContact C-N 3.34Å; V85-F87 PolarHBondContact O-N 3.17Å; F87-V89 PolarHBondContact O-N 3.11Å; F87-F90 PolarHBondContact O-N 3.26Å; F87-V91 HydrophobicContact CD1-CG2 4.03Å; F87-V91 HydrophobicContact CD2-CG2 4.07Å; F87-V91 HydrophobicContact CE1-CG2 3.71Å; F87-V91 HydrophobicContact CE2-CG2 3.74Å; F87-V91 HydrophobicContact CG-CG2 4.21Å; F87-V91 HydrophobicContact CZ-CG2 3.56Å; F87-V91 WeakPolarHBondContact O-CB 3.38Å; F87-V91 VanDerWaalsContact O-CG2 3.26Å; F87-V91 WeakPolarHBondContact O-CG2 3.39Å; F87-V91 PolarHBondContact O-N 2.82Å
88C85.9Confident79.7Confident22 Ų2261.2 Ų61.215%0.14933%0.325CS..Hα-helixtrans-56.5-51.5178.3-82.90000112K84 V85 F90 V92K84-C88 WeakPolarHBondContact O-CB 3.31Å; K84-C88 PolarHBondContact O-N 3.37Å; K84-C88 PolarHBondContact O-SG 3.14Å; V85-C88 PolarHBondContact O-N 3.11Å; C88-F90 VanDerWaalsContact C-N 3.35Å; C88-F90 PolarHBondContact O-N 3.38Å; C88-V92 WeakPolarHBondContact O-CB 3.41Å; C88-V92 VanDerWaalsContact O-CG2 3.26Å; C88-V92 WeakPolarHBondContact O-CG2 3.3Å; C88-V92 PolarHBondContact O-N 3.04Å
89V82.7Confident79.7Confident5 Ų561.5 Ų61.53%0.0333%0.326CS..Hα-helixtrans-65.3-40.8179.5178.50000111Q24 Y25 C28 V85 F87 S93Q24-V89 HydrophobicContact CB-CG1 4.06Å; Y25-V89 HydrophobicContact CD1-CG2 4.49Å; Y25-V89 HydrophobicContact CD2-CB 4.44Å; Y25-V89 HydrophobicContact CD2-CG1 3.88Å; Y25-V89 HydrophobicContact CD2-CG2 4.43Å; Y25-V89 HydrophobicContact CE1-CB 4.43Å; Y25-V89 HydrophobicContact CE2-CB 4.1Å; Y25-V89 HydrophobicContact CE2-CG1 3.5Å; Y25-V89 VanDerWaalsContact CE2-CG1 3.5Å; Y25-V89 HydrophobicContact CG-CG2 4.41Å; C28-V89 HydrophobicContact CB-CG2 3.64Å; V85-V89 WeakPolarHBondContact O-CG2 3.49Å; V85-V89 PolarHBondContact O-N 3.4Å; F87-V89 PolarHBondContact O-N 3.11Å; V89-S93 VanDerWaalsContact O-CB 3.25Å; V89-S93 WeakPolarHBondContact O-CB 3.46Å; V89-S93 PolarHBondContact O-N 3.27Å
90F84.9Confident79.9Confident121 Ų12159.8 Ų59.853%0.53132%0.318SS..Hα-helixtrans-63.3-48.2178.6179.8-99.1000112.4V86 F87 C88 S93 K94V86-F90 WeakPolarHBondContact O-CB 3.19Å; V86-F90 PolarHBondContact O-N 3.28Å; F87-F90 PolarHBondContact O-N 3.26Å; C88-F90 VanDerWaalsContact C-N 3.35Å; C88-F90 PolarHBondContact O-N 3.38Å; F90-S93 PolarHBondContact O-N 3.13Å; F90-K94 HydrophobicContact CE1-CG 4.38Å; F90-K94 HydrophobicContact CZ-CG 4.32Å; F90-K94 WeakPolarHBondContact O-CG 3.46Å; F90-K94 PolarHBondContact O-N 3.14Å
91V84.3Confident80Confident47 Ų4754.8 Ų54.829%0.28529%0.291SS..Hα-helixtrans-63.2-48.5-179.5168.50000110.4F87 S93 K94 I95F87-V91 HydrophobicContact CD1-CG2 4.03Å; F87-V91 HydrophobicContact CD2-CG2 4.07Å; F87-V91 HydrophobicContact CE1-CG2 3.71Å; F87-V91 HydrophobicContact CE2-CG2 3.74Å; F87-V91 HydrophobicContact CG-CG2 4.21Å; F87-V91 HydrophobicContact CZ-CG2 3.56Å; F87-V91 WeakPolarHBondContact O-CB 3.38Å; F87-V91 VanDerWaalsContact O-CG2 3.26Å; F87-V91 WeakPolarHBondContact O-CG2 3.39Å; F87-V91 PolarHBondContact O-N 2.82Å; V91-S93 VanDerWaalsContact C-N 3.3Å; V91-S93 PolarHBondContact O-N 3.22Å; V91-K94 CarbonylContact O-C 3.58Å; V91-K94 WeakPolarHBondContact O-CA 3.48Å; V91-K94 PolarHBondContact O-N 3.5Å; V91-I95 HydrophobicContact CG1-CD1 3.65Å; V91-I95 HydrophobicContact CG1-CG1 4.29Å; V91-I95 WeakPolarHBondContact O-CG1 3.29Å; V91-I95 PolarHBondContact O-N 2.82Å
92V82.4Confident80.2Confident4 Ų451.8 Ų51.82%0.02428%0.282CS..Hα-helixtrans-63.2-38.7179.9178.40000111.3C88 K94 I95 V181 F184C88-V92 WeakPolarHBondContact O-CB 3.41Å; C88-V92 VanDerWaalsContact O-CG2 3.26Å; C88-V92 WeakPolarHBondContact O-CG2 3.3Å; C88-V92 PolarHBondContact O-N 3.04Å; V92-K94 PolarHBondContact O-N 2.92Å; V92-K94 VanDerWaalsContact O-N 3.11Å; V92-I95 PolarHBondContact O-N 3.5Å; V92-I95 VanDerWaalsContact O-N 3.17Å; V92-V181 HydrophobicContact CG1-CG2 4.26Å; V92-V181 HydrophobicContact CG2-CG2 4.02Å; V92-F184 HydrophobicContact CB-CB 4.23Å; V92-F184 HydrophobicContact CB-CG 4.43Å; V92-F184 HydrophobicContact CG1-CB 3.38Å; V92-F184 HydrophobicContact CG1-CD1 3.99Å; V92-F184 HydrophobicContact CG1-CD2 4.01Å; V92-F184 HydrophobicContact CG1-CG 3.52Å
93S79.3Confident80.4Confident37 Ų3750.6 Ų50.626%0.25928%0.276SS..THydrogen-bonded Turntrans-62.7-16.2173.8179.20000114.1V89 F90 V91V89-S93 VanDerWaalsContact O-CB 3.25Å; V89-S93 WeakPolarHBondContact O-CB 3.46Å; V89-S93 PolarHBondContact O-N 3.27Å; F90-S93 PolarHBondContact O-N 3.13Å; V91-S93 VanDerWaalsContact C-N 3.3Å; V91-S93 PolarHBondContact O-N 3.22Å
94K80.7Confident80.6Confident138 Ų13848.3 Ų48.360%0.626%0.257SS*.THydrogen-bonded Turntrans-103.4-15177.8-66.9-63.1-173.4176.50113.3F90 V91 V92 G96 F99F90-K94 HydrophobicContact CE1-CG 4.38Å; F90-K94 HydrophobicContact CZ-CG 4.32Å; F90-K94 WeakPolarHBondContact O-CG 3.46Å; F90-K94 PolarHBondContact O-N 3.14Å; V91-K94 CarbonylContact O-C 3.58Å; V91-K94 WeakPolarHBondContact O-CA 3.48Å; V91-K94 PolarHBondContact O-N 3.5Å; V92-K94 PolarHBondContact O-N 2.92Å; V92-K94 VanDerWaalsContact O-N 3.11Å; K94-G96 PolarHBondContact O-N 3.25Å; K94-F99 WeakPolarHBondContact O-CE2 3.33Å
95I77Confident80.9Confident73 Ų7342.4 Ų42.437%0.37423%0.231SC..SBendtrans-74.6120177.9-74.5165.9000109.8V91 V92 C97 H98 F99V91-I95 HydrophobicContact CG1-CD1 3.65Å; V91-I95 HydrophobicContact CG1-CG1 4.29Å; V91-I95 WeakPolarHBondContact O-CG1 3.29Å; V91-I95 PolarHBondContact O-N 2.82Å; V92-I95 PolarHBondContact O-N 3.5Å; V92-I95 VanDerWaalsContact O-N 3.17Å; I95-C97 HydrophobicContact CG2-CB 4.04Å; I95-C97 PolarHBondContact O-N 2.91Å; I95-H98 PolarHBondContact O-N 3.39Å; I95-F99 VanDerWaalsContact O-CD2 3.26Å; I95-F99 WeakPolarHBondContact O-CD2 3.33Å; I95-F99 WeakPolarHBondContact O-CE2 3.48Å
96G65.3Low81.2Confident55 Ų5544 Ų4457%0.56724%0.239SC*.G310 helixtrans-47.7-32.9-17600000115.1K94 H98 F99K94-G96 PolarHBondContact O-N 3.25Å; G96-H98 VanDerWaalsContact C-N 3.29Å; G96-H98 PolarHBondContact O-N 3.08Å; G96-F99 WeakPolarHBondContact O-CB 3.31Å; G96-F99 WeakPolarHBondContact O-CD2 3.24Å; G96-F99 PolarHBondContact O-N 2.98Å
97C65.5Low81.4Confident66 Ų6644.5 Ų44.545%0.44624%0.236SC..G310 helixtrans-64.3-26.4-171.7-620000114.8I95I95-C97 HydrophobicContact CG2-CB 4.04Å; I95-C97 PolarHBondContact O-N 2.91Å
98H68.9Low81.6Confident28 Ų2838.2 Ų38.213%0.1321%0.209CC..G310 helixtrans-104.76.8-177.5-56.7-71.6000113.2I95 G96 V100 T101 L102 V181 F184I95-H98 PolarHBondContact O-N 3.39Å; G96-H98 VanDerWaalsContact C-N 3.29Å; G96-H98 PolarHBondContact O-N 3.08Å; H98-V100 VanDerWaalsContact C-N 3.26Å; H98-V100 PolarHBondContact O-N 3.38Å; H98-T101 PolarHBondContact O-N 3.36Å; H98-L102 PolarHBondContact O-N 2.72Å; H98-V181 WeakPolarHBondContact CE1-CG1 3.07Å; H98-V181 WeakPolarHBondContact NE2-CG1 3.46Å; H98-F184 HydrophobicContact CB-CD1 3.74Å; H98-F184 HydrophobicContact CB-CE1 3.5Å; H98-F184 VanDerWaalsContact CB-CE1 3.5Å; H98-F184 HydrophobicContact CB-CZ 4.46Å
99F76.8Confident81.8Confident40 Ų4037.7 Ų37.718%0.17520%0.204CC..Hα-helixtrans-63.5-31.7179.2-85.9-107.4000112.2K94 I95 G96 L102 C103 F147K94-F99 WeakPolarHBondContact O-CE2 3.33Å; I95-F99 VanDerWaalsContact O-CD2 3.26Å; I95-F99 WeakPolarHBondContact O-CD2 3.33Å; I95-F99 WeakPolarHBondContact O-CE2 3.48Å; G96-F99 WeakPolarHBondContact O-CB 3.31Å; G96-F99 WeakPolarHBondContact O-CD2 3.24Å; G96-F99 PolarHBondContact O-N 2.98Å; F99-L102 PolarHBondContact O-N 3.24Å; F99-C103 VanDerWaalsContact O-CB 3.22Å; F99-C103 WeakPolarHBondContact O-CB 3.34Å; F99-C103 PolarHBondContact O-N 2.99Å; F99-C103 PolarHBondContact O-SG 2.82Å; F99-F147 AromaticContact CD1-CE1 3.79Å; F99-F147 HydrophobicContact CD1-CE1 3.79Å; F99-F147 HydrophobicContact CD1-CE2 4.23Å; F99-F147 AromaticContact CD1-CZ 3.27Å; F99-F147 HydrophobicContact CD1-CZ 3.27Å; F99-F147 HydrophobicContact CE1-CE1 4.13Å; F99-F147 AromaticContact CE1-CE2 3.71Å; F99-F147 HydrophobicContact CE1-CE2 3.71Å; F99-F147 AromaticContact CE1-CZ 3.19Å; F99-F147 HydrophobicContact CE1-CZ 3.19Å; F99-F147 HydrophobicContact CG-CZ 4.45Å; F99-F147 HydrophobicContact CZ-CZ 4.33Å
100V81.7Confident82.2Confident25 Ų2538 Ų3815%0.15221%0.205CC..Hα-helixtrans-61.3-50.8-179.7176.10000110.5H98 L102 C103 L104 L161 K164 A165H98-V100 VanDerWaalsContact C-N 3.26Å; H98-V100 PolarHBondContact O-N 3.38Å; V100-L102 VanDerWaalsContact C-N 3.32Å; V100-L102 PolarHBondContact O-N 2.88Å; V100-C103 WeakPolarHBondContact O-CB 3.48Å; V100-C103 PolarHBondContact O-N 3.34Å; V100-L104 WeakPolarHBondContact O-CB 3.46Å; V100-L104 PolarHBondContact O-N 3.08Å; V100-L161 HydrophobicContact CG1-CD1 3.98Å; V100-K164 HydrophobicContact CG1-CB 4.26Å; V100-A165 HydrophobicContact CG1-CB 3.65Å
101T82.6Confident82.5Confident6 Ų634.1 Ų34.14%0.03719%0.189CC..Hα-helixtrans-57.9-44.7177.1-47.40000111.5H98 L104 Q105 F169 C188 L189H98-T101 PolarHBondContact O-N 3.36Å; T101-L104 PolarHBondContact O-N 3.48Å; T101-Q105 WeakPolarHBondContact O-CB 3.41Å; T101-Q105 PolarHBondContact O-N 3.44Å; T101-F169 HydrophobicContact CG2-CE1 3.88Å; T101-F169 HydrophobicContact CG2-CZ 3.77Å; T101-F169 VanDerWaalsContact OG1-CE1 3.32Å; T101-F169 WeakPolarHBondContact OG1-CE1 3.4Å; T101-F169 WeakPolarHBondContact OG1-CZ 3.36Å; T101-C188 HydrophobicContact CG2-CB 3.51Å; T101-L189 HydrophobicContact CG2-CD2 4.22Å; T101-L189 HydrophobicContact CG2-CG 4.13Å
102L86.1Confident82.6Confident26 Ų2632.3 Ų32.314%0.13618%0.178CC..Hα-helixtrans-69.2-37.3178.5178.3145.4000112.4H98 F99 V100 L104 Q105 L106 F147 F184H98-L102 PolarHBondContact O-N 2.72Å; F99-L102 PolarHBondContact O-N 3.24Å; V100-L102 VanDerWaalsContact C-N 3.32Å; V100-L102 PolarHBondContact O-N 2.88Å; L102-L104 VanDerWaalsContact C-N 3.35Å; L102-Q105 PolarHBondContact O-N 2.9Å; L102-L106 HydrophobicContact CD2-CD1 3.5Å; L102-L106 HydrophobicContact CD2-CG 4.15Å; L102-L106 HydrophobicContact CG-CD1 4.29Å; L102-L106 HydrophobicContact CG-CG 4.46Å; L102-L106 WeakPolarHBondContact O-CB 3.4Å; L102-L106 VanDerWaalsContact O-CG 3.26Å; L102-L106 WeakPolarHBondContact O-CG 3.17Å; L102-L106 PolarHBondContact O-N 2.98Å; L102-F147 HydrophobicContact CD2-CD1 3.95Å; L102-F147 HydrophobicContact CD2-CE1 3.15Å; L102-F147 HydrophobicContact CD2-CE2 4.22Å; L102-F147 HydrophobicContact CD2-CZ 3.29Å; L102-F184 HydrophobicContact CB-CE1 4.23Å; L102-F184 HydrophobicContact CB-CZ 3.85Å; L102-F184 HydrophobicContact CD1-CE2 3.93Å; L102-F184 HydrophobicContact CD1-CZ 3.5Å; L102-F184 HydrophobicContact CG-CZ 4.29Å
103C86.4Confident82.9Confident0 Ų038.9 Ų38.90%021%0.206CC..Hα-helixtrans-63-44.2175-73.50000110.8F99 V100 L106 Y107 L148 Y152 L161F99-C103 VanDerWaalsContact O-CB 3.22Å; F99-C103 WeakPolarHBondContact O-CB 3.34Å; F99-C103 PolarHBondContact O-N 2.99Å; F99-C103 PolarHBondContact O-SG 2.82Å; V100-C103 WeakPolarHBondContact O-CB 3.48Å; V100-C103 PolarHBondContact O-N 3.34Å; C103-L106 PolarHBondContact O-N 3.31Å; C103-Y107 VanDerWaalsContact O-CB 3.31Å; C103-Y107 WeakPolarHBondContact O-CB 3.46Å; C103-Y107 PolarHBondContact O-N 3.11Å; C103-L148 HydrophobicContact CB-CD2 3.74Å; C103-Y152 HydrophobicContact CB-CE2 4.25Å; C103-L161 HydrophobicContact CB-CD1 3.8Å; C103-L161 HydrophobicContact CB-CD2 3.85Å; C103-L161 HydrophobicContact CB-CG 4.46Å
104L86.4Confident83.4Confident1 Ų145.5 Ų45.51%0.00523%0.227CC..Hα-helixtrans-60.4-49.3177.8-159.686.7000110.2V100 T101 L102 L106 Y107 T108 L161 E162 A165 F169 L192 L202V100-L104 WeakPolarHBondContact O-CB 3.46Å; V100-L104 PolarHBondContact O-N 3.08Å; T101-L104 PolarHBondContact O-N 3.48Å; L102-L104 VanDerWaalsContact C-N 3.35Å; L104-L106 PolarHBondContact O-N 2.92Å; L104-Y107 PolarHBondContact O-N 3.22Å; L104-T108 WeakPolarHBondContact O-CB 3.06Å; L104-T108 PolarHBondContact O-N 3.38Å; L104-T108 PolarHBondContact O-OG1 2.89Å; L104-L161 HydrophobicContact CB-CD2 4.44Å; L104-L161 HydrophobicContact CD1-CD2 4.11Å; L104-L161 HydrophobicContact CD1-CG 4Å; L104-E162 HydrophobicContact CD1-CG 3.98Å; L104-A165 HydrophobicContact CD1-CB 4.4Å; L104-A165 HydrophobicContact CD2-CB 4.47Å; L104-F169 HydrophobicContact CD2-CE2 4.49Å; L104-L192 HydrophobicContact CD2-CD1 3.92Å; L104-L202 HydrophobicContact CD1-CD1 4Å; L104-L202 HydrophobicContact CD1-CD2 4.09Å; L104-L202 HydrophobicContact CD2-CD1 3.94Å; L104-L202 HydrophobicContact CD2-CD2 3.79Å; L104-L202 HydrophobicContact CD2-CG 4.44Å; L104-L202 HydrophobicContact CG-CD1 3.78Å; L104-L202 HydrophobicContact CG-CD2 4.28Å
105Q88.4Confident83.9Confident6 Ų638.9 Ų38.93%0.02820%0.198CC..Hα-helixtrans-55.5-48.6174.8175.269.2-35.400112.4A20 T101 L102 Y107 I109 C188 P191 L192A20-Q105 HydrophobicContact CB-CG 4.33Å; T101-Q105 WeakPolarHBondContact O-CB 3.41Å; T101-Q105 PolarHBondContact O-N 3.44Å; L102-Q105 PolarHBondContact O-N 2.9Å; Q105-Y107 VanDerWaalsContact C-N 3.34Å; Q105-Y107 PolarHBondContact O-N 3.36Å; Q105-I109 HydrophobicContact CG-CD1 4.3Å; Q105-I109 WeakPolarHBondContact O-CB 3.26Å; Q105-I109 WeakPolarHBondContact O-CG1 3.16Å; Q105-I109 PolarHBondContact O-N 2.93Å; Q105-I109 VanDerWaalsContact O-N 3.13Å; Q105-C188 HydrophobicContact CB-CB 4.29Å; Q105-C188 HydrophobicContact CG-CB 4.44Å; Q105-C188 PolarHBondContact NE2-O 3.41Å; Q105-C188 PolarHBondContact OE1-O 3.35Å; Q105-P191 VanDerWaalsContact NE2-CB 3.31Å; Q105-L192 HydrophobicContact CB-CD1 4.46Å
106L89.9Confident84.5Confident33 Ų3335.6 Ų35.617%0.17318%0.181CC..Hα-helixtrans-65-39.6-180-74.6178.5000112.3L102 C103 L104 W110 A144 F147 L148L102-L106 HydrophobicContact CD2-CD1 3.5Å; L102-L106 HydrophobicContact CD2-CG 4.15Å; L102-L106 HydrophobicContact CG-CD1 4.29Å; L102-L106 HydrophobicContact CG-CG 4.46Å; L102-L106 WeakPolarHBondContact O-CB 3.4Å; L102-L106 VanDerWaalsContact O-CG 3.26Å; L102-L106 WeakPolarHBondContact O-CG 3.17Å; L102-L106 PolarHBondContact O-N 2.98Å; C103-L106 PolarHBondContact O-N 3.31Å; L104-L106 PolarHBondContact O-N 2.92Å; L106-W110 WeakPolarHBondContact O-CB 3.4Å; L106-W110 PolarHBondContact O-N 2.82Å; L106-A144 HydrophobicContact CB-CB 4.17Å; L106-A144 HydrophobicContact CD2-CB 4.18Å; L106-F147 HydrophobicContact CD1-CB 4.26Å; L106-F147 HydrophobicContact CD1-CD1 3.64Å; L106-F147 HydrophobicContact CD1-CE1 4.14Å; L106-F147 HydrophobicContact CD1-CG 4.03Å; L106-L148 HydrophobicContact CB-CD1 4.43Å
107Y89.3Confident85.6Confident65 Ų6538 Ų3826%0.25518%0.181SC..Iπ-helixtrans-64.5-54.8178.1176.1-92.9000111.1C103 L104 Q105 I109 L111 N112 V158C103-Y107 VanDerWaalsContact O-CB 3.31Å; C103-Y107 WeakPolarHBondContact O-CB 3.46Å; C103-Y107 PolarHBondContact O-N 3.11Å; L104-Y107 PolarHBondContact O-N 3.22Å; Q105-Y107 VanDerWaalsContact C-N 3.34Å; Q105-Y107 PolarHBondContact O-N 3.36Å; Y107-I109 VanDerWaalsContact C-N 3.35Å; Y107-I109 PolarHBondContact O-N 3.04Å; Y107-L111 HydrophobicContact CD2-CB 3.96Å; Y107-L111 HydrophobicContact CD2-CD1 4.11Å; Y107-L111 HydrophobicContact CE2-CB 4.27Å; Y107-L111 WeakPolarHBondContact O-CA 3.23Å; Y107-L111 WeakPolarHBondContact O-CB 3.42Å; Y107-L111 PolarHBondContact O-N 3.41Å; Y107-N112 PolarHBondContact O-N 2.86Å; Y107-V158 HydrophobicContact CD1-CG1 3.78Å; Y107-V158 HydrophobicContact CD1-CG2 4.5Å; Y107-V158 HydrophobicContact CD2-CG2 4.19Å; Y107-V158 HydrophobicContact CE1-CB 4.25Å; Y107-V158 HydrophobicContact CE1-CG1 3.37Å; Y107-V158 HydrophobicContact CE1-CG2 3.82Å; Y107-V158 HydrophobicContact CE2-CG1 4.44Å; Y107-V158 HydrophobicContact CE2-CG2 3.43Å; Y107-V158 VanDerWaalsContact CE2-CG2 3.43Å; Y107-V158 HydrophobicContact CG-CG1 4.49Å; Y107-V158 VanDerWaalsContact OH-CG2 3.29Å; Y107-V158 WeakPolarHBondContact OH-CG2 3.42Å
108T89.1Confident86.7Confident4 Ų437.3 Ų37.33%0.02518%0.18CC..Iπ-helixtrans-66.5-36-172.3-53.70000112.7L104 N115 L192 L197 L202L104-T108 WeakPolarHBondContact O-CB 3.06Å; L104-T108 PolarHBondContact O-N 3.38Å; L104-T108 PolarHBondContact O-OG1 2.89Å; T108-N115 WeakPolarHBondContact CG2-ND2 3.38Å; T108-N115 WeakPolarHBondContact O-CB 2.92Å; T108-N115 PolarHBondContact O-ND2 3.05Å; T108-N115 VanDerWaalsContact O-ND2 3.11Å; T108-L192 HydrophobicContact CG2-CD2 3.87Å; T108-L197 HydrophobicContact CG2-CD1 3.75Å; T108-L202 HydrophobicContact CG2-CD1 4.18Å; T108-L202 WeakPolarHBondContact OG1-CD1 3.47Å
109I90.5Very high87.7Confident11 Ų1137.2 Ų37.26%0.05618%0.18CC..Iπ-helixtrans-84.6-47.3179.8-63.5-175000112Q105 Y107 L116 I120 P191Q105-I109 HydrophobicContact CG-CD1 4.3Å; Q105-I109 WeakPolarHBondContact O-CB 3.26Å; Q105-I109 WeakPolarHBondContact O-CG1 3.16Å; Q105-I109 PolarHBondContact O-N 2.93Å; Q105-I109 VanDerWaalsContact O-N 3.13Å; Y107-I109 VanDerWaalsContact C-N 3.35Å; Y107-I109 PolarHBondContact O-N 3.04Å; I109-L116 WeakPolarHBondContact O-CD1 3.38Å; I109-I120 HydrophobicContact CG2-CD1 4Å; I109-I120 HydrophobicContact CG2-CG1 4.12Å; I109-I120 HydrophobicContact CG2-CG2 4.48Å; I109-P191 HydrophobicContact CD1-CB 3.84Å
110W91.5Very high88.3Confident13 Ų1335.5 Ų35.55%0.04917%0.173CC..Iπ-helixtrans-103.4-23-167-59.8103000114.6L106 L116 I120 Y124 F136 V137 M140 R141 A144L106-W110 WeakPolarHBondContact O-CB 3.4Å; L106-W110 PolarHBondContact O-N 2.82Å; W110-L116 HydrophobicContact CE3-CD1 4.08Å; W110-I120 HydrophobicContact CZ3-CG2 4.16Å; W110-Y124 HydrophobicContact CH2-CD2 4.47Å; W110-Y124 AromaticContact CH2-CE2 3.58Å; W110-Y124 HydrophobicContact CH2-CE2 3.58Å; W110-Y124 AromaticContact CH2-CZ 3.92Å; W110-Y124 HydrophobicContact CZ2-CE2 4.49Å; W110-Y124 HydrophobicContact CZ3-CE2 4.14Å; W110-F136 HydrophobicContact CH2-CE1 4.13Å; W110-V137 HydrophobicContact CE3-CG1 4.28Å; W110-V137 HydrophobicContact CZ3-CB 4.41Å; W110-V137 HydrophobicContact CZ3-CG1 4.06Å; W110-V137 HydrophobicContact CZ3-CG2 4.28Å; W110-M140 HydrophobicContact CD2-CB 3.83Å; W110-M140 HydrophobicContact CE3-CB 3.54Å; W110-M140 HydrophobicContact CH2-CB 3.64Å; W110-M140 HydrophobicContact CH2-CE 4.39Å; W110-M140 HydrophobicContact CH2-CG 3.82Å; W110-M140 HydrophobicContact CZ2-CB 3.92Å; W110-M140 HydrophobicContact CZ2-CE 3.78Å; W110-M140 HydrophobicContact CZ2-CG 4.12Å; W110-M140 HydrophobicContact CZ3-CB 3.45Å; W110-M140 VanDerWaalsContact CZ3-CB 3.45Å; W110-M140 HydrophobicContact CZ3-CG 4.08Å; W110-R141 WeakPolarHBondContact O-CG 3.41Å; W110-R141 PolarHBondContact O-NH1 3.26Å; W110-A144 HydrophobicContact CB-CB 3.75Å; W110-A144 HydrophobicContact CG-CB 4.25Å
111L89.5Confident88.6Confident38 Ų3836.2 Ų36.220%0.19918%0.176CC..Iπ-helixtrans-105.9-34.8-175.4-71165.9000112.8Y107 K113 A144 Q145 L148Y107-L111 HydrophobicContact CD2-CB 3.96Å; Y107-L111 HydrophobicContact CD2-CD1 4.11Å; Y107-L111 HydrophobicContact CE2-CB 4.27Å; Y107-L111 WeakPolarHBondContact O-CA 3.23Å; Y107-L111 WeakPolarHBondContact O-CB 3.42Å; Y107-L111 PolarHBondContact O-N 3.41Å; L111-K113 PolarHBondContact O-N 3.43Å; L111-K113 VanDerWaalsContact O-N 3.1Å; L111-A144 HydrophobicContact CG-CB 4.49Å; L111-Q145 HydrophobicContact CD2-CB 4.04Å; L111-Q145 HydrophobicContact CD2-CG 4.39Å; L111-L148 HydrophobicContact CD1-CD1 3.12Å; L111-L148 HydrophobicContact CD1-CG 4.44Å
112N87.8Confident89Confident9 Ų941.9 Ų41.95%0.04820%0.196CC..  trans-62.9113.2174.9-169.5-31000110.1Y107 Y114 N115 L116 D199Y107-N112 PolarHBondContact O-N 2.86Å; N112-Y114 VanDerWaalsContact C-N 3.33Å; N112-Y114 PolarHBondContact O-N 3.14Å; N112-Y114 PolarHBondContact OD1-N 3.2Å; N112-Y114 VanDerWaalsContact OD1-N 3.11Å; N112-N115 HydrophobicContact CB-CB 4.18Å; N112-N115 PolarHBondContact O-N 2.95Å; N112-L116 WeakPolarHBondContact O-CB 3.46Å; N112-L116 PolarHBondContact O-N 2.98Å; N112-D199 PolarHBondContact ND2-OD2 3.31Å
113K88.7Confident89.2Confident143 Ų14341 Ų4162%0.62219%0.191SC*.Hα-helixtrans-65.8-35.5-174.7-66.4-179.3-179.6177.60112.2L111 N117L111-K113 PolarHBondContact O-N 3.43Å; L111-K113 VanDerWaalsContact O-N 3.1Å; K113-N117 WeakPolarHBondContact O-CB 3.28Å; K113-N117 PolarHBondContact O-N 2.9Å; K113-N117 PolarHBondContact O-ND2 3.31Å; K113-N117 PolarHBondContact O-OD1 3.12Å
114Y89Confident89.3Confident175 Ų17541.3 Ų41.369%0.68619%0.192SC*.Hα-helixtrans-66-49-179.6-61.8-77.3000110.6N112 A118N112-Y114 VanDerWaalsContact C-N 3.33Å; N112-Y114 PolarHBondContact O-N 3.14Å; N112-Y114 PolarHBondContact OD1-N 3.2Å; N112-Y114 VanDerWaalsContact OD1-N 3.11Å; Y114-A118 VanDerWaalsContact O-CB 3.25Å; Y114-A118 WeakPolarHBondContact O-CB 3.3Å; Y114-A118 PolarHBondContact O-N 2.75Å
115N90.4Very high89.5Confident0 Ų043.1 Ų43.10%021%0.205CC..Hα-helixtrans-64.7-43178.6-69.8-10000112.4T108 N112 I119 L197 P198 D199T108-N115 WeakPolarHBondContact CG2-ND2 3.38Å; T108-N115 WeakPolarHBondContact O-CB 2.92Å; T108-N115 PolarHBondContact O-ND2 3.05Å; T108-N115 VanDerWaalsContact O-ND2 3.11Å; N112-N115 HydrophobicContact CB-CB 4.18Å; N112-N115 PolarHBondContact O-N 2.95Å; N115-I119 PolarHBondContact O-N 3.23Å; N115-L197 HydrophobicContact CB-CD2 3.91Å; N115-P198 VanDerWaalsContact OD1-CD 3.3Å; N115-P198 WeakPolarHBondContact OD1-CD 3.42Å; N115-D199 WeakPolarHBondContact OD1-CB 3.46Å; N115-D199 PolarHBondContact OD1-N 3.37Å
116L90.5Very high89.5Confident4 Ų448.3 Ų48.32%0.02123%0.229CC..Iπ-helixtrans-63-54.9-179-16787.3000111.1I109 W110 N112 A118 I120 D121 V137 R141I109-L116 WeakPolarHBondContact O-CD1 3.38Å; W110-L116 HydrophobicContact CE3-CD1 4.08Å; N112-L116 WeakPolarHBondContact O-CB 3.46Å; N112-L116 PolarHBondContact O-N 2.98Å; L116-A118 VanDerWaalsContact C-N 3.31Å; L116-A118 PolarHBondContact O-N 2.92Å; L116-I120 HydrophobicContact CD1-CB 3.83Å; L116-I120 HydrophobicContact CD1-CG1 4.47Å; L116-I120 HydrophobicContact CD1-CG2 3.7Å; L116-I120 HydrophobicContact CG-CB 4.38Å; L116-I120 PolarHBondContact O-N 3.5Å; L116-D121 WeakPolarHBondContact CD2-OD2 3.36Å; L116-D121 WeakPolarHBondContact O-CB 3.32Å; L116-D121 PolarHBondContact O-N 3.41Å; L116-V137 HydrophobicContact CD1-CG1 3.79Å; L116-V137 HydrophobicContact CD2-CG1 3.68Å; L116-V137 HydrophobicContact CG-CG1 4.2Å; L116-R141 HydrophobicContact CD2-CG 4.26Å
117N88.2Confident89.4Confident106 Ų10649.7 Ų49.757%0.56723%0.234SC*.Iπ-helixtrans-68.1-33.1-170.9-64.7-0.4000112.2K113K113-N117 WeakPolarHBondContact O-CB 3.28Å; K113-N117 PolarHBondContact O-N 2.9Å; K113-N117 PolarHBondContact O-ND2 3.31Å; K113-N117 PolarHBondContact O-OD1 3.12Å
118A88.4Confident89.2Confident50 Ų5047.5 Ų47.541%0.41323%0.226SC..Iπ-helixtrans-78.9-41.7-175.100000113.3Y114 L116 P198Y114-A118 VanDerWaalsContact O-CB 3.25Å; Y114-A118 WeakPolarHBondContact O-CB 3.3Å; Y114-A118 PolarHBondContact O-N 2.75Å; L116-A118 VanDerWaalsContact C-N 3.31Å; L116-A118 PolarHBondContact O-N 2.92Å; A118-P198 HydrophobicContact CB-CG 3.42Å; A118-P198 VanDerWaalsContact CB-CG 3.42Å
119I89.8Confident89.1Confident27 Ų2748 Ų4814%0.13823%0.232CC..Iπ-helixtrans-122.4-53.7-168.8-61-172.7000111.8F13 N115 R122 W123 I195 P196 P198F13-I119 HydrophobicContact CE2-CG2 4.3Å; F13-I119 HydrophobicContact CZ-CG2 3.92Å; N115-I119 PolarHBondContact O-N 3.23Å; I119-R122 PolarHBondContact O-N 2.76Å; I119-W123 VanDerWaalsContact O-CB 3.27Å; I119-W123 WeakPolarHBondContact O-CB 3.24Å; I119-W123 PolarHBondContact O-N 3.37Å; I119-I195 HydrophobicContact CG2-CG2 3.95Å; I119-P196 VanDerWaalsContact CD1-C 3.49Å; I119-P196 HydrophobicContact CD1-CG 4.13Å; I119-P196 WeakPolarHBondContact CD1-O 2.95Å; I119-P198 HydrophobicContact CD1-CG 4.49Å
120I89.4Confident88.9Confident3 Ų351.3 Ų51.32%0.01525%0.249CC..Iπ-helixtrans-67.2-49.2-169.7-55.6-59.3000110.8I109 W110 L116 R122 W123 Y124 I195I109-I120 HydrophobicContact CG2-CD1 4Å; I109-I120 HydrophobicContact CG2-CG1 4.12Å; I109-I120 HydrophobicContact CG2-CG2 4.48Å; W110-I120 HydrophobicContact CZ3-CG2 4.16Å; L116-I120 HydrophobicContact CD1-CB 3.83Å; L116-I120 HydrophobicContact CD1-CG1 4.47Å; L116-I120 HydrophobicContact CD1-CG2 3.7Å; L116-I120 HydrophobicContact CG-CB 4.38Å; L116-I120 PolarHBondContact O-N 3.5Å; I120-R122 VanDerWaalsContact C-N 3.34Å; I120-R122 PolarHBondContact O-N 2.9Å; I120-W123 PolarHBondContact O-N 2.97Å; I120-Y124 HydrophobicContact CG2-CD2 3.65Å; I120-Y124 HydrophobicContact CG2-CE2 3.66Å; I120-Y124 VanDerWaalsContact O-CD2 3.24Å; I120-Y124 WeakPolarHBondContact O-CD2 3.43Å; I120-Y124 PolarHBondContact O-N 3.19Å; I120-I195 HydrophobicContact CD1-CD1 4.46Å
121D89.3Confident88.7Confident40 Ų4054.3 Ų54.321%0.21428%0.276CS..Hα-helixtrans-60.6-46.4177.4-80.9-19.8000111L116 W123 Y124 C125 V137L116-D121 WeakPolarHBondContact CD2-OD2 3.36Å; L116-D121 WeakPolarHBondContact O-CB 3.32Å; L116-D121 PolarHBondContact O-N 3.41Å; D121-W123 VanDerWaalsContact C-N 3.33Å; D121-W123 PolarHBondContact O-N 3.16Å; D121-Y124 PolarHBondContact O-N 3.12Å; D121-C125 VanDerWaalsContact O-CB 3.28Å; D121-C125 WeakPolarHBondContact O-CB 2.86Å; D121-C125 PolarHBondContact O-N 3.11Å; D121-C125 PolarHBondContact O-SG 3.46Å; D121-V137 VanDerWaalsContact OD1-CG1 3.26Å; D121-V137 WeakPolarHBondContact OD1-CG1 3.37Å
122R90.2Very high88.5Confident125 Ų12555.5 Ų55.547%0.47228%0.279SS..Hα-helixtrans-57.5-47.9178.5-177.8175.1179.4156.62.5111.4I119 I120 C125 E126I119-R122 PolarHBondContact O-N 2.76Å; I120-R122 VanDerWaalsContact C-N 3.34Å; I120-R122 PolarHBondContact O-N 2.9Å; R122-C125 PolarHBondContact O-N 3.32Å; R122-E126 PolarHBondContact O-N 3.39Å
123W90.5Very high88.5Confident8 Ų855.1 Ų55.13%0.0328%0.277CS..Hα-helixtrans-62.5-47.6-179.6-173.187.3000111.7W9 P10 E12 I18 I119 I120 D121 C125 E126 K127W9-W123 HydrophobicContact CB-CH2 4.35Å; W9-W123 HydrophobicContact CD2-CH2 4.45Å; W9-W123 AromaticContact CE3-CH2 3.86Å; W9-W123 HydrophobicContact CE3-CH2 3.86Å; W9-W123 AromaticContact CE3-CZ3 3.94Å; W9-W123 HydrophobicContact CE3-CZ3 3.94Å; W9-W123 HydrophobicContact CZ3-CZ3 4.4Å; P10-W123 HydrophobicContact CG-CH2 3.92Å; P10-W123 HydrophobicContact CG-CZ2 3.83Å; E12-W123 HydrophobicContact CB-CZ2 4.46Å; E12-W123 VanDerWaalsContact CG-NE1 3.29Å; E12-W123 PolarHBondContact OE2-NE1 3.3Å; I18-W123 HydrophobicContact CB-CH2 4.25Å; I18-W123 HydrophobicContact CB-CZ2 4.19Å; I18-W123 HydrophobicContact CD1-CD2 3.69Å; I18-W123 HydrophobicContact CD1-CE3 4.09Å; I18-W123 HydrophobicContact CD1-CG 3.97Å; I18-W123 HydrophobicContact CD1-CZ2 4.25Å; I18-W123 HydrophobicContact CG2-CE3 4.17Å; I18-W123 HydrophobicContact CG2-CH2 3.4Å; I18-W123 HydrophobicContact CG2-CZ2 3.83Å; I18-W123 HydrophobicContact CG2-CZ3 3.6Å; I119-W123 VanDerWaalsContact O-CB 3.27Å; I119-W123 WeakPolarHBondContact O-CB 3.24Å; I119-W123 PolarHBondContact O-N 3.37Å; I120-W123 PolarHBondContact O-N 2.97Å; D121-W123 VanDerWaalsContact C-N 3.33Å; D121-W123 PolarHBondContact O-N 3.16Å; W123-C125 PolarHBondContact O-N 2.76Å; W123-E126 PolarHBondContact O-N 3.11Å; W123-K127 HydrophobicContact CD2-CG 4.28Å; W123-K127 HydrophobicContact CE3-CG 4.43Å; W123-K127 HydrophobicContact CH2-CG 4.24Å; W123-K127 HydrophobicContact CZ2-CG 4.09Å; W123-K127 HydrophobicContact CZ3-CG 4.38Å; W123-K127 WeakPolarHBondContact O-CG 3.49Å; W123-K127 PolarHBondContact O-N 2.85Å; W123-K127 VanDerWaalsContact O-N 3.14Å
124Y89.1Confident88.5Confident6 Ų657.4 Ų57.42%0.02428%0.283CS..Hα-helixtrans-66.3-37.6178.5-81.6-68.1000112.3W9 W110 I120 D121 E126 K127 L128 A133 F136 V137W9-Y124 HydrophobicContact CD2-CE1 4.37Å; W9-Y124 HydrophobicContact CE3-CE1 4.21Å; W9-Y124 HydrophobicContact CH2-CD1 4.31Å; W9-Y124 AromaticContact CH2-CE1 3.9Å; W9-Y124 HydrophobicContact CH2-CE1 3.9Å; W9-Y124 HydrophobicContact CZ2-CE1 4.02Å; W9-Y124 HydrophobicContact CZ3-CD1 4.29Å; W9-Y124 AromaticContact CZ3-CE1 3.98Å; W9-Y124 HydrophobicContact CZ3-CE1 3.98Å; W110-Y124 HydrophobicContact CH2-CD2 4.47Å; W110-Y124 AromaticContact CH2-CE2 3.58Å; W110-Y124 HydrophobicContact CH2-CE2 3.58Å; W110-Y124 AromaticContact CH2-CZ 3.92Å; W110-Y124 HydrophobicContact CZ2-CE2 4.49Å; W110-Y124 HydrophobicContact CZ3-CE2 4.14Å; I120-Y124 HydrophobicContact CG2-CD2 3.65Å; I120-Y124 HydrophobicContact CG2-CE2 3.66Å; I120-Y124 VanDerWaalsContact O-CD2 3.24Å; I120-Y124 WeakPolarHBondContact O-CD2 3.43Å; I120-Y124 PolarHBondContact O-N 3.19Å; D121-Y124 PolarHBondContact O-N 3.12Å; Y124-E126 VanDerWaalsContact C-N 3.34Å; Y124-K127 PolarHBondContact O-N 3.18Å; Y124-L128 HydrophobicContact CD1-CD1 3.62Å; Y124-L128 HydrophobicContact CE1-CD1 4.43Å; Y124-L128 HydrophobicContact CG-CD1 4.45Å; Y124-L128 VanDerWaalsContact O-CB 3.3Å; Y124-L128 WeakPolarHBondContact O-CB 3.05Å; Y124-L128 PolarHBondContact O-N 2.95Å; Y124-A133 VanDerWaalsContact C-CB 3.47Å; Y124-A133 WeakPolarHBondContact O-CB 3.32Å; Y124-F136 AromaticContact CD1-CD1 3.94Å; Y124-F136 HydrophobicContact CD1-CD1 3.94Å; Y124-F136 AromaticContact CD1-CE1 3.97Å; Y124-F136 HydrophobicContact CD1-CE1 3.97Å; Y124-F136 AromaticContact CE1-CD1 3.88Å; Y124-F136 HydrophobicContact CE1-CD1 3.88Å; Y124-F136 AromaticContact CE1-CE1 3.41Å; Y124-F136 HydrophobicContact CE1-CE1 3.41Å; Y124-F136 VanDerWaalsContact CE1-CE1 3.41Å; Y124-F136 HydrophobicContact CE1-CZ 4.3Å; Y124-F136 HydrophobicContact CE2-CE1 4.33Å; Y124-F136 HydrophobicContact CG-CD1 4.4Å; Y124-F136 AromaticContact CZ-CE1 3.65Å; Y124-V137 HydrophobicContact CD2-CG2 3.85Å; Y124-V137 HydrophobicContact CG-CG2 4.09Å
125C89.9Confident88.5Confident40 Ų4055.5 Ų55.527%0.2728%0.275SS..Hα-helixtrans-61.1-42174.6-75.40000111.8D121 R122 W123 G129 I130 A133D121-C125 VanDerWaalsContact O-CB 3.28Å; D121-C125 WeakPolarHBondContact O-CB 2.86Å; D121-C125 PolarHBondContact O-N 3.11Å; D121-C125 PolarHBondContact O-SG 3.46Å; R122-C125 PolarHBondContact O-N 3.32Å; W123-C125 PolarHBondContact O-N 2.76Å; C125-G129 VanDerWaalsContact O-CA 3.28Å; C125-G129 WeakPolarHBondContact O-CA 3.5Å; C125-G129 PolarHBondContact O-N 3.48Å; C125-I130 HydrophobicContact CB-CG1 4.5Å; C125-A133 VanDerWaalsContact CA-CB 3.46Å; C125-A133 HydrophobicContact CB-CB 4.16Å; C125-A133 VanDerWaalsContact SG-CB 3.54Å
126E89.4Confident88.4Confident115 Ų11556.4 Ų56.454%0.53728%0.279SS..Hα-helixtrans-63.5-42.5178-169.3-168.6124.600112R122 W123 Y124R122-E126 PolarHBondContact O-N 3.39Å; W123-E126 PolarHBondContact O-N 3.11Å; Y124-E126 VanDerWaalsContact C-N 3.34Å
127K87.7Confident88.4Confident62 Ų6256.4 Ų56.427%0.2728%0.279SS..Hα-helixtrans-82.3-35.5-175.9-57.4-49.6-175.7-156.10113.2E12 V42 W123 Y124E12-K127 VanDerWaalsContact OE2-CE 3.3Å; E12-K127 WeakPolarHBondContact OE2-CE 3.24Å; E12-K127 IonicContact OE2-NZ 3.62Å; E12-K127 PolarHBondContact OE2-NZ 3.46Å; V42-K127 HydrophobicContact CG1-CB 3.67Å; V42-K127 VanDerWaalsContact CG1-O 3.29Å; V42-K127 WeakPolarHBondContact CG1-O 3.13Å; W123-K127 HydrophobicContact CD2-CG 4.28Å; W123-K127 HydrophobicContact CE3-CG 4.43Å; W123-K127 HydrophobicContact CH2-CG 4.24Å; W123-K127 HydrophobicContact CZ2-CG 4.09Å; W123-K127 HydrophobicContact CZ3-CG 4.38Å; W123-K127 WeakPolarHBondContact O-CG 3.49Å; W123-K127 PolarHBondContact O-N 2.85Å; W123-K127 VanDerWaalsContact O-N 3.14Å; Y124-K127 PolarHBondContact O-N 3.18Å
128L85.5Confident88.6Confident19 Ų1952.6 Ų52.610%0.09927%0.266CS..Hα-helixtrans-109.8-9.9-170.8-62.9164.2000115.3W9 V42 P44 Y124 Y132 A133 F136W9-L128 HydrophobicContact CH2-CD1 3.74Å; W9-L128 HydrophobicContact CH2-CD2 3.92Å; W9-L128 HydrophobicContact CH2-CG 4.21Å; W9-L128 HydrophobicContact CZ3-CD1 4.08Å; W9-L128 HydrophobicContact CZ3-CD2 4.02Å; W9-L128 HydrophobicContact CZ3-CG 4.18Å; V42-L128 HydrophobicContact CG1-CD2 3.8Å; V42-L128 HydrophobicContact CG1-CG 4.3Å; P44-L128 HydrophobicContact CG-CD2 3.61Å; Y124-L128 HydrophobicContact CD1-CD1 3.62Å; Y124-L128 HydrophobicContact CE1-CD1 4.43Å; Y124-L128 HydrophobicContact CG-CD1 4.45Å; Y124-L128 VanDerWaalsContact O-CB 3.3Å; Y124-L128 WeakPolarHBondContact O-CB 3.05Å; Y124-L128 PolarHBondContact O-N 2.95Å; L128-Y132 HydrophobicContact CB-CD1 3.78Å; L128-Y132 HydrophobicContact CD1-CD1 3.81Å; L128-Y132 HydrophobicContact CD1-CE1 3.98Å; L128-Y132 HydrophobicContact CD2-CD1 3.92Å; L128-Y132 HydrophobicContact CD2-CE1 3.98Å; L128-Y132 HydrophobicContact CG-CD1 4.06Å; L128-Y132 HydrophobicContact CG-CE1 4.43Å; L128-A133 HydrophobicContact CB-CB 4.44Å; L128-F136 HydrophobicContact CD1-CB 4.43Å; L128-F136 HydrophobicContact CD1-CD1 4.36Å; L128-F136 HydrophobicContact CD1-CG 4.38Å
129G86.5Confident88.6Confident13 Ų1353.4 Ų53.413%0.13426%0.26CS..  trans80.5152.8-166.800000112.4C125 A131 Y132 A133 E253C125-G129 VanDerWaalsContact O-CA 3.28Å; C125-G129 WeakPolarHBondContact O-CA 3.5Å; C125-G129 PolarHBondContact O-N 3.48Å; G129-A131 PolarHBondContact O-N 3.23Å; G129-Y132 PolarHBondContact O-N 3.33Å; G129-A133 WeakPolarHBondContact O-CB 3.26Å; G129-A133 PolarHBondContact O-N 3.14Å; G129-E253 WeakPolarHBondContact CA-OE1 3.47Å
130I85.9Confident88.7Confident81 Ų8153.6 Ų53.642%0.41526%0.26SS..Hα-helixtrans-62.5-47.9-164.4-62.4171.8000111.9C125 Y132 A133 Y134 Y249 E253C125-I130 HydrophobicContact CB-CG1 4.5Å; I130-Y132 PolarHBondContact O-N 3.24Å; I130-A133 PolarHBondContact O-N 3.34Å; I130-Y134 WeakPolarHBondContact O-CB 3.49Å; I130-Y134 PolarHBondContact O-N 2.95Å; I130-Y249 HydrophobicContact CD1-CD1 4.29Å; I130-E253 WeakPolarHBondContact CD1-OE2 3.32Å; I130-E253 WeakPolarHBondContact CG1-OE2 3.2Å; I130-E253 PolarHBondContact N-OE1 3.48Å
131A86.8Confident88.7Confident76 Ų7656.3 Ų56.363%0.62827%0.27SS*.Hα-helixtrans-63.4-44.1-175.800000112.1G129 Y135G129-A131 PolarHBondContact O-N 3.23Å; A131-Y135 PolarHBondContact O-N 3.49Å
132Y85Confident88.9Confident64 Ų6460.6 Ų60.625%0.25129%0.287SS..Hα-helixtrans-74.8-40-179-172.4-88000111.7P44 W45 L128 G129 I130 Y134 Y135 F136P44-Y132 HydrophobicContact CB-CE1 4.36Å; P44-Y132 HydrophobicContact CG-CD1 4.48Å; P44-Y132 HydrophobicContact CG-CE1 3.41Å; P44-Y132 VanDerWaalsContact CG-CE1 3.41Å; P44-Y132 WeakPolarHBondContact CG-OH 3.32Å; W45-Y132 HydrophobicContact CE3-CD2 4.45Å; W45-Y132 HydrophobicContact CE3-CE2 4.01Å; W45-Y132 HydrophobicContact CZ3-CD2 4.22Å; W45-Y132 HydrophobicContact CZ3-CE1 4.5Å; W45-Y132 HydrophobicContact CZ3-CE2 4.2Å; W45-Y132 HydrophobicContact CZ3-CG 4.35Å; L128-Y132 HydrophobicContact CB-CD1 3.78Å; L128-Y132 HydrophobicContact CD1-CD1 3.81Å; L128-Y132 HydrophobicContact CD1-CE1 3.98Å; L128-Y132 HydrophobicContact CD2-CD1 3.92Å; L128-Y132 HydrophobicContact CD2-CE1 3.98Å; L128-Y132 HydrophobicContact CG-CD1 4.06Å; L128-Y132 HydrophobicContact CG-CE1 4.43Å; G129-Y132 PolarHBondContact O-N 3.33Å; I130-Y132 PolarHBondContact O-N 3.24Å; Y132-Y134 VanDerWaalsContact C-N 3.29Å; Y132-Y134 PolarHBondContact O-N 3.39Å; Y132-Y135 HydrophobicContact CE2-CD1 4.39Å; Y132-Y135 PolarHBondContact O-N 3.04Å; Y132-F136 HydrophobicContact CD1-CB 4.21Å; Y132-F136 HydrophobicContact CE1-CB 3.91Å; Y132-F136 HydrophobicContact CE1-CD2 4.37Å; Y132-F136 HydrophobicContact CE1-CG 4.4Å; Y132-F136 WeakPolarHBondContact O-CB 3.26Å; Y132-F136 PolarHBondContact O-N 3.49Å
133A88.4Confident88.8Confident0 Ų059.4 Ų59.40%028%0.282CS..Hα-helixtrans-55.9-46.3174.400000111.1Y124 C125 L128 G129 I130 Y135 F136 V137Y124-A133 VanDerWaalsContact C-CB 3.47Å; Y124-A133 WeakPolarHBondContact O-CB 3.32Å; C125-A133 VanDerWaalsContact CA-CB 3.46Å; C125-A133 HydrophobicContact CB-CB 4.16Å; C125-A133 VanDerWaalsContact SG-CB 3.54Å; L128-A133 HydrophobicContact CB-CB 4.44Å; G129-A133 WeakPolarHBondContact O-CB 3.26Å; G129-A133 PolarHBondContact O-N 3.14Å; I130-A133 PolarHBondContact O-N 3.34Å; A133-Y135 PolarHBondContact O-N 2.83Å; A133-F136 PolarHBondContact O-N 2.89Å; A133-V137 WeakPolarHBondContact O-CB 3.36Å; A133-V137 VanDerWaalsContact O-CG2 3.3Å; A133-V137 WeakPolarHBondContact O-CG2 3.06Å; A133-V137 PolarHBondContact O-N 3.46Å
134Y88.6Confident88.8Confident191 Ų19159.1 Ų59.175%0.74928%0.282SS*.Hα-helixtrans-58.6-45.9176.6-175.5-100.2000112.6I130 Y132 G138I130-Y134 WeakPolarHBondContact O-CB 3.49Å; I130-Y134 PolarHBondContact O-N 2.95Å; Y132-Y134 VanDerWaalsContact C-N 3.29Å; Y132-Y134 PolarHBondContact O-N 3.39Å; Y134-G138 PolarHBondContact O-N 3.22Å
135Y89.5Confident88.9Confident135 Ų13563 Ų6353%0.52930%0.3SS..Hα-helixtrans-61.4-48.6175.2169.8-96.1000112.1A131 Y132 A133 G138 K139A131-Y135 PolarHBondContact O-N 3.49Å; Y132-Y135 HydrophobicContact CE2-CD1 4.39Å; Y132-Y135 PolarHBondContact O-N 3.04Å; A133-Y135 PolarHBondContact O-N 2.83Å; Y135-G138 PolarHBondContact O-N 3.06Å; Y135-K139 HydrophobicContact CE1-CD 4.24Å; Y135-K139 WeakPolarHBondContact O-CB 3.42Å; Y135-K139 PolarHBondContact O-N 3.11Å
136F88.2Confident88.9Confident19 Ų1968.2 Ų68.28%0.08331%0.314CS..Hα-helixtrans-63.9-51.2-176.5177.3-94.6000111.2W9 W110 Y124 L128 Y132 A133 G138 K139 M140W9-F136 HydrophobicContact CH2-CZ 4.43Å; W9-F136 HydrophobicContact CZ2-CE1 4.15Å; W9-F136 HydrophobicContact CZ2-CE2 4.04Å; W9-F136 AromaticContact CZ2-CZ 3.67Å; W9-F136 HydrophobicContact CZ2-CZ 3.67Å; W110-F136 HydrophobicContact CH2-CE1 4.13Å; Y124-F136 AromaticContact CD1-CD1 3.94Å; Y124-F136 HydrophobicContact CD1-CD1 3.94Å; Y124-F136 AromaticContact CD1-CE1 3.97Å; Y124-F136 HydrophobicContact CD1-CE1 3.97Å; Y124-F136 AromaticContact CE1-CD1 3.88Å; Y124-F136 HydrophobicContact CE1-CD1 3.88Å; Y124-F136 AromaticContact CE1-CE1 3.41Å; Y124-F136 HydrophobicContact CE1-CE1 3.41Å; Y124-F136 VanDerWaalsContact CE1-CE1 3.41Å; Y124-F136 HydrophobicContact CE1-CZ 4.3Å; Y124-F136 HydrophobicContact CE2-CE1 4.33Å; Y124-F136 HydrophobicContact CG-CD1 4.4Å; Y124-F136 AromaticContact CZ-CE1 3.65Å; L128-F136 HydrophobicContact CD1-CB 4.43Å; L128-F136 HydrophobicContact CD1-CD1 4.36Å; L128-F136 HydrophobicContact CD1-CG 4.38Å; Y132-F136 HydrophobicContact CD1-CB 4.21Å; Y132-F136 HydrophobicContact CE1-CB 3.91Å; Y132-F136 HydrophobicContact CE1-CD2 4.37Å; Y132-F136 HydrophobicContact CE1-CG 4.4Å; Y132-F136 WeakPolarHBondContact O-CB 3.26Å; Y132-F136 PolarHBondContact O-N 3.49Å; A133-F136 PolarHBondContact O-N 2.89Å; F136-G138 VanDerWaalsContact C-N 3.34Å; F136-G138 PolarHBondContact O-N 3.35Å; F136-K139 WeakPolarHBondContact O-CB 3.23Å; F136-K139 PolarHBondContact O-N 3.33Å; F136-M140 HydrophobicContact CD1-CG 4.29Å; F136-M140 HydrophobicContact CE1-CG 3.82Å; F136-M140 HydrophobicContact CE2-CG 4.28Å; F136-M140 HydrophobicContact CZ-CG 3.82Å; F136-M140 HydrophobicContact CZ-SD 4.3Å; F136-M140 WeakPolarHBondContact O-CG 3.42Å; F136-M140 PolarHBondContact O-N 3.27Å
137V90.4Very high88.8Confident4 Ų465.5 Ų65.52%0.02430%0.301CS..Hα-helixtrans-60.5-46.2176.7175.40000109.9W110 L116 D121 Y124 A133 K139 M140 R141W110-V137 HydrophobicContact CE3-CG1 4.28Å; W110-V137 HydrophobicContact CZ3-CB 4.41Å; W110-V137 HydrophobicContact CZ3-CG1 4.06Å; W110-V137 HydrophobicContact CZ3-CG2 4.28Å; L116-V137 HydrophobicContact CD1-CG1 3.79Å; L116-V137 HydrophobicContact CD2-CG1 3.68Å; L116-V137 HydrophobicContact CG-CG1 4.2Å; D121-V137 VanDerWaalsContact OD1-CG1 3.26Å; D121-V137 WeakPolarHBondContact OD1-CG1 3.37Å; Y124-V137 HydrophobicContact CD2-CG2 3.85Å; Y124-V137 HydrophobicContact CG-CG2 4.09Å; A133-V137 WeakPolarHBondContact O-CB 3.36Å; A133-V137 VanDerWaalsContact O-CG2 3.3Å; A133-V137 WeakPolarHBondContact O-CG2 3.06Å; A133-V137 PolarHBondContact O-N 3.46Å; V137-K139 VanDerWaalsContact C-N 3.29Å; V137-K139 PolarHBondContact O-N 2.84Å; V137-M140 PolarHBondContact O-N 2.94Å; V137-R141 HydrophobicContact CG1-CG 4.03Å; V137-R141 WeakPolarHBondContact O-CG 3.12Å; V137-R141 PolarHBondContact O-N 3.25Å
138G91.4Very high88.7Confident27 Ų2763 Ų6328%0.27829%0.29SS..Hα-helixtrans-56.3-40.6176.100000113.2Y134 Y135 F136 K142Y134-G138 PolarHBondContact O-N 3.22Å; Y135-G138 PolarHBondContact O-N 3.06Å; F136-G138 VanDerWaalsContact C-N 3.34Å; F136-G138 PolarHBondContact O-N 3.35Å; G138-K142 WeakPolarHBondContact O-CG 3.3Å; G138-K142 PolarHBondContact O-N 3.05Å; G138-K142 VanDerWaalsContact O-N 3.11Å
139K90.1Very high88.8Confident67 Ų6764.9 Ų64.929%0.29130%0.3SS..Hα-helixtrans-64.6-42.6174.3179.8-179.8179.7177.50111.9Y135 F136 V137 R143Y135-K139 HydrophobicContact CE1-CD 4.24Å; Y135-K139 WeakPolarHBondContact O-CB 3.42Å; Y135-K139 PolarHBondContact O-N 3.11Å; F136-K139 WeakPolarHBondContact O-CB 3.23Å; F136-K139 PolarHBondContact O-N 3.33Å; V137-K139 VanDerWaalsContact C-N 3.29Å; V137-K139 PolarHBondContact O-N 2.84Å; K139-R143 WeakPolarHBondContact O-CG 3.29Å; K139-R143 PolarHBondContact O-N 2.86Å; K139-R143 VanDerWaalsContact O-N 3.14Å
140M89.9Confident88.8Confident30 Ų3072.4 Ų72.415%0.14833%0.332CS..Hα-helixtrans-69-43.3179.5-68-59.2-74.900112W110 F136 V137 K142 R143 A144W110-M140 HydrophobicContact CD2-CB 3.83Å; W110-M140 HydrophobicContact CE3-CB 3.54Å; W110-M140 HydrophobicContact CH2-CB 3.64Å; W110-M140 HydrophobicContact CH2-CE 4.39Å; W110-M140 HydrophobicContact CH2-CG 3.82Å; W110-M140 HydrophobicContact CZ2-CB 3.92Å; W110-M140 HydrophobicContact CZ2-CE 3.78Å; W110-M140 HydrophobicContact CZ2-CG 4.12Å; W110-M140 HydrophobicContact CZ3-CB 3.45Å; W110-M140 VanDerWaalsContact CZ3-CB 3.45Å; W110-M140 HydrophobicContact CZ3-CG 4.08Å; F136-M140 HydrophobicContact CD1-CG 4.29Å; F136-M140 HydrophobicContact CE1-CG 3.82Å; F136-M140 HydrophobicContact CE2-CG 4.28Å; F136-M140 HydrophobicContact CZ-CG 3.82Å; F136-M140 HydrophobicContact CZ-SD 4.3Å; F136-M140 WeakPolarHBondContact O-CG 3.42Å; F136-M140 PolarHBondContact O-N 3.27Å; V137-M140 PolarHBondContact O-N 2.94Å; M140-K142 PolarHBondContact O-N 3.39Å; M140-R143 WeakPolarHBondContact O-CB 3.18Å; M140-R143 PolarHBondContact O-N 3.47Å; M140-R143 VanDerWaalsContact O-N 3.08Å; M140-A144 PolarHBondContact O-N 2.75Å
141R91.3Very high88.5Confident61 Ų6176 Ų7623%0.2334%0.34CS..Hα-helixtrans-53.2-50.8171.2-69.1-174.271.888.42111.6W110 L116 V137 R143 A144 Q145W110-R141 WeakPolarHBondContact O-CG 3.41Å; W110-R141 PolarHBondContact O-NH1 3.26Å; L116-R141 HydrophobicContact CD2-CG 4.26Å; V137-R141 HydrophobicContact CG1-CG 4.03Å; V137-R141 WeakPolarHBondContact O-CG 3.12Å; V137-R141 PolarHBondContact O-N 3.25Å; R141-R143 VanDerWaalsContact C-N 3.25Å; R141-R143 PolarHBondContact O-N 2.96Å; R141-A144 PolarHBondContact O-N 3.47Å; R141-Q145 WeakPolarHBondContact O-CB 3.25Å; R141-Q145 PolarHBondContact O-N 2.75Å
142K91.8Very high88.1Confident130 Ų13075.3 Ų75.357%0.56532%0.322SS*.Hα-helixtrans-61.7-31.7179-73.9177.4-177.6-179.80112.8G138 M140 R146G138-K142 WeakPolarHBondContact O-CG 3.3Å; G138-K142 PolarHBondContact O-N 3.05Å; G138-K142 VanDerWaalsContact O-N 3.11Å; M140-K142 PolarHBondContact O-N 3.39Å; K142-R146 WeakPolarHBondContact O-CB 3.28Å; K142-R146 VanDerWaalsContact O-CG 3.32Å; K142-R146 WeakPolarHBondContact O-CG 3.18Å; K142-R146 PolarHBondContact O-N 3.35Å; K142-R146 PolarHBondContact O-NE 3.45Å
143R89.8Confident87.8Confident99 Ų9973.8 Ų73.837%0.37433%0.326SS..Hα-helixtrans-72.2-46.8174.7-77.8175.7172.4172.7-6.2111.3K139 M140 R141 R146 F147K139-R143 WeakPolarHBondContact O-CG 3.29Å; K139-R143 PolarHBondContact O-N 2.86Å; K139-R143 VanDerWaalsContact O-N 3.14Å; M140-R143 WeakPolarHBondContact O-CB 3.18Å; M140-R143 PolarHBondContact O-N 3.47Å; M140-R143 VanDerWaalsContact O-N 3.08Å; R141-R143 VanDerWaalsContact C-N 3.25Å; R141-R143 PolarHBondContact O-N 2.96Å; R143-R146 PolarHBondContact O-N 3.45Å; R143-F147 WeakPolarHBondContact O-CB 3.24Å; R143-F147 PolarHBondContact O-N 3.35Å
144A89.7Confident86.8Confident2 Ų282.9 Ų82.92%0.01736%0.361CS..Hα-helixtrans-59.7-46.9177.300000111.3L106 W110 L111 M140 R141 R146 F147 L148L106-A144 HydrophobicContact CB-CB 4.17Å; L106-A144 HydrophobicContact CD2-CB 4.18Å; W110-A144 HydrophobicContact CB-CB 3.75Å; W110-A144 HydrophobicContact CG-CB 4.25Å; L111-A144 HydrophobicContact CG-CB 4.49Å; M140-A144 PolarHBondContact O-N 2.75Å; R141-A144 PolarHBondContact O-N 3.47Å; A144-R146 PolarHBondContact O-N 2.65Å; A144-F147 PolarHBondContact O-N 3.1Å; A144-L148 PolarHBondContact O-N 3.28Å
145Q90.5Very high85.3Confident88 Ų8882 Ų8241%0.41136%0.364SS..Hα-helixtrans-59.5-48.2177.5-168179.5-5.200111.6L111 R141 F147 L148 L149L111-Q145 HydrophobicContact CD2-CB 4.04Å; L111-Q145 HydrophobicContact CD2-CG 4.39Å; R141-Q145 WeakPolarHBondContact O-CB 3.25Å; R141-Q145 PolarHBondContact O-N 2.75Å; Q145-F147 VanDerWaalsContact C-N 3.3Å; Q145-F147 PolarHBondContact O-N 3.36Å; Q145-L148 PolarHBondContact O-N 3.17Å; Q145-L149 HydrophobicContact CG-CD1 3.83Å; Q145-L149 HydrophobicContact CG-CG 4.27Å; Q145-L149 VanDerWaalsContact O-CB 3.3Å; Q145-L149 WeakPolarHBondContact O-CB 3.23Å; Q145-L149 WeakPolarHBondContact O-CG 3.48Å; Q145-L149 PolarHBondContact O-N 3.38Å
146R90.2Very high84Confident149 Ų14977.4 Ų77.456%0.56235%0.354SS*.Hα-helixtrans-59.3-42.5177.3-82.7-178.8-97.8172.8-16.4112.4K142 R143 A144 Q150K142-R146 WeakPolarHBondContact O-CB 3.28Å; K142-R146 VanDerWaalsContact O-CG 3.32Å; K142-R146 WeakPolarHBondContact O-CG 3.18Å; K142-R146 PolarHBondContact O-N 3.35Å; K142-R146 PolarHBondContact O-NE 3.45Å; R143-R146 PolarHBondContact O-N 3.45Å; A144-R146 PolarHBondContact O-N 2.65Å; R146-Q150 WeakPolarHBondContact O-CB 3.29Å; R146-Q150 VanDerWaalsContact O-CG 3.31Å; R146-Q150 WeakPolarHBondContact O-CG 2.85Å; R146-Q150 PolarHBondContact O-N 3.2Å
147F86.6Confident83.2Confident58 Ų5881 Ų8125%0.25437%0.374SS..Hα-helixtrans-63.6-44.7-179.8-172.6-91.5000112.2F99 L102 L106 R143 A144 Q145F99-F147 AromaticContact CD1-CE1 3.79Å; F99-F147 HydrophobicContact CD1-CE1 3.79Å; F99-F147 HydrophobicContact CD1-CE2 4.23Å; F99-F147 AromaticContact CD1-CZ 3.27Å; F99-F147 HydrophobicContact CD1-CZ 3.27Å; F99-F147 HydrophobicContact CE1-CE1 4.13Å; F99-F147 AromaticContact CE1-CE2 3.71Å; F99-F147 HydrophobicContact CE1-CE2 3.71Å; F99-F147 AromaticContact CE1-CZ 3.19Å; F99-F147 HydrophobicContact CE1-CZ 3.19Å; F99-F147 HydrophobicContact CG-CZ 4.45Å; F99-F147 HydrophobicContact CZ-CZ 4.33Å; L102-F147 HydrophobicContact CD2-CD1 3.95Å; L102-F147 HydrophobicContact CD2-CE1 3.15Å; L102-F147 HydrophobicContact CD2-CE2 4.22Å; L102-F147 HydrophobicContact CD2-CZ 3.29Å; L106-F147 HydrophobicContact CD1-CB 4.26Å; L106-F147 HydrophobicContact CD1-CD1 3.64Å; L106-F147 HydrophobicContact CD1-CE1 4.14Å; L106-F147 HydrophobicContact CD1-CG 4.03Å; R143-F147 WeakPolarHBondContact O-CB 3.24Å; R143-F147 PolarHBondContact O-N 3.35Å; A144-F147 PolarHBondContact O-N 3.1Å; Q145-F147 VanDerWaalsContact C-N 3.3Å; Q145-F147 PolarHBondContact O-N 3.36Å
148L86.3Confident82.4Confident9 Ų982.3 Ų82.35%0.04738%0.382CS..Hα-helixtrans-70.3-42.6178.3-80.5155.7000112.2C103 L106 L111 A144 Q145 Q150 R151 Y152C103-L148 HydrophobicContact CB-CD2 3.74Å; L106-L148 HydrophobicContact CB-CD1 4.43Å; L111-L148 HydrophobicContact CD1-CD1 3.12Å; L111-L148 HydrophobicContact CD1-CG 4.44Å; A144-L148 PolarHBondContact O-N 3.28Å; Q145-L148 PolarHBondContact O-N 3.17Å; L148-Q150 VanDerWaalsContact C-N 3.31Å; L148-Q150 PolarHBondContact O-N 2.72Å; L148-R151 PolarHBondContact O-N 3.08Å; L148-Y152 HydrophobicContact CD2-CD2 4.14Å; L148-Y152 PolarHBondContact O-N 2.73Å
149L87.2Confident81.6Confident60 Ų6084.3 Ų84.331%0.31439%0.391SS..Hα-helixtrans-58-42.1176.2-76.3172.3000112.1Q145 R151 G153 Y154Q145-L149 HydrophobicContact CG-CD1 3.83Å; Q145-L149 HydrophobicContact CG-CG 4.27Å; Q145-L149 VanDerWaalsContact O-CB 3.3Å; Q145-L149 WeakPolarHBondContact O-CB 3.23Å; Q145-L149 WeakPolarHBondContact O-CG 3.48Å; Q145-L149 PolarHBondContact O-N 3.38Å; L149-R151 PolarHBondContact O-N 3.1Å; L149-G153 VanDerWaalsContact O-CA 3.27Å; L149-G153 WeakPolarHBondContact O-CA 3.47Å; L149-G153 PolarHBondContact O-N 2.85Å; L149-Y154 HydrophobicContact CD2-CD2 3.68Å; L149-Y154 HydrophobicContact CD2-CE2 4.27Å; L149-Y154 HydrophobicContact CD2-CG 4.11Å
150Q86.3Confident81.1Confident170 Ų17086.8 Ų86.879%0.79440%0.404SS*.Hα-helixtrans-63.2-24.8177.9-79.2178.1-1300113.3R146 L148R146-Q150 WeakPolarHBondContact O-CB 3.29Å; R146-Q150 VanDerWaalsContact O-CG 3.31Å; R146-Q150 WeakPolarHBondContact O-CG 2.85Å; R146-Q150 PolarHBondContact O-N 3.2Å; L148-Q150 VanDerWaalsContact C-N 3.31Å; L148-Q150 PolarHBondContact O-N 2.72Å
151R79.7Confident80.5Confident156 Ų15685.8 Ų85.859%0.58940%0.399SS*.Hα-helixtrans-107.5-37.5-170.4-168.865.9-17595.4-8.8114.5L148 L149L148-R151 PolarHBondContact O-N 3.08Å; L149-R151 PolarHBondContact O-N 3.1Å
152Y78.7Confident79.9Confident63 Ų6384.7 Ų84.725%0.24740%0.397CS..Hα-helixtrans-120-2.8-175.3-65.8-89000112.9C103 L148 L161C103-Y152 HydrophobicContact CB-CE2 4.25Å; L148-Y152 HydrophobicContact CD2-CD2 4.14Å; L148-Y152 PolarHBondContact O-N 2.73Å; Y152-L161 HydrophobicContact CE1-CD1 4.2Å; Y152-L161 HydrophobicContact CE2-CD1 4.14Å; Y152-L161 WeakPolarHBondContact OH-CD1 3.04Å
153G78.4Confident79.2Confident32 Ų3283.1 Ų83.133%0.3339%0.394SS..  trans73.8-170-178.500000113.4L149 H155L149-G153 VanDerWaalsContact O-CA 3.27Å; L149-G153 WeakPolarHBondContact O-CA 3.47Å; L149-G153 PolarHBondContact O-N 2.85Å; G153-H155 VanDerWaalsContact C-N 3.3Å; G153-H155 PolarHBondContact O-N 2.8Å
154Y68Low78.7Confident191 Ų19184.4 Ų84.475%0.74940%0.402SS*.THydrogen-bonded Turntrans-70.2-27.8-177-137.3-87000112.9L149 A156L149-Y154 HydrophobicContact CD2-CD2 3.68Å; L149-Y154 HydrophobicContact CD2-CE2 4.27Å; L149-Y154 HydrophobicContact CD2-CG 4.11Å; Y154-A156 PolarHBondContact O-N 3.26Å
155H57.8Low78.1Confident172 Ų17284.3 Ų84.380%0.79640%0.402SS*.THydrogen-bonded Turntrans-99.144.5177.8-65.1-75.2000111.6G153 D157G153-H155 VanDerWaalsContact C-N 3.3Å; G153-H155 PolarHBondContact O-N 2.8Å; H155-D157 PolarHBondContact O-N 3.37Å
156A62.8Low77.4Confident39 Ų3981.9 Ų81.932%0.32239%0.39SS..  trans-61.393.1172.500000108.9Y154 V158Y154-A156 PolarHBondContact O-N 3.26Å; A156-V158 PolarHBondContact O-N 3.45Å
157D71.1Confident76.5Confident94 Ų9481.3 Ų81.350%0.50340%0.398SS..  trans-77.1111.6-176-143.65.7000107.4H155 S159 Q160 L161H155-D157 PolarHBondContact O-N 3.37Å; D157-S159 PolarHBondContact O-N 2.78Å; D157-Q160 HydrophobicContact CB-CB 4.47Å; D157-Q160 HydrophobicContact CB-CG 4.06Å; D157-Q160 WeakPolarHBondContact O-CB 3.27Å; D157-Q160 PolarHBondContact O-N 2.76Å; D157-L161 PolarHBondContact O-N 3.47Å
158V73.3Confident76Confident32 Ų3284.4 Ų84.419%0.19441%0.408CS..Hα-helixtrans-58.5-39.1-170.4-173.40000109.8Y107 A156 Q160 L161 E162Y107-V158 HydrophobicContact CD1-CG1 3.78Å; Y107-V158 HydrophobicContact CD1-CG2 4.5Å; Y107-V158 HydrophobicContact CD2-CG2 4.19Å; Y107-V158 HydrophobicContact CE1-CB 4.25Å; Y107-V158 HydrophobicContact CE1-CG1 3.37Å; Y107-V158 HydrophobicContact CE1-CG2 3.82Å; Y107-V158 HydrophobicContact CE2-CG1 4.44Å; Y107-V158 HydrophobicContact CE2-CG2 3.43Å; Y107-V158 VanDerWaalsContact CE2-CG2 3.43Å; Y107-V158 HydrophobicContact CG-CG1 4.49Å; Y107-V158 VanDerWaalsContact OH-CG2 3.29Å; Y107-V158 WeakPolarHBondContact OH-CG2 3.42Å; A156-V158 PolarHBondContact O-N 3.45Å; V158-Q160 VanDerWaalsContact C-N 3.31Å; V158-Q160 PolarHBondContact O-N 3.4Å; V158-L161 WeakPolarHBondContact O-CA 3.38Å; V158-L161 WeakPolarHBondContact O-CB 3.25Å; V158-L161 PolarHBondContact O-N 3.48Å; V158-E162 HydrophobicContact CG1-CG 4.34Å; V158-E162 WeakPolarHBondContact O-CG 3.46Å; V158-E162 PolarHBondContact O-N 3.18Å
159S75.2Confident75.5Confident68 Ų6884.4 Ų84.448%0.47641%0.408SS..Hα-helixtrans-57.2-41.4176.3-52.60000112.5D157 L161 E162 D163D157-S159 PolarHBondContact O-N 2.78Å; S159-L161 VanDerWaalsContact C-N 3.28Å; S159-L161 PolarHBondContact O-N 3.06Å; S159-E162 PolarHBondContact O-N 2.85Å; S159-D163 WeakPolarHBondContact O-CB 3.3Å; S159-D163 PolarHBondContact O-N 3.26Å
160Q78.4Confident74.6Confident120 Ų12085.4 Ų85.456%0.56142%0.419SS*.Hα-helixtrans-67.6-31.9177.4-65.5-177.328.100112.4D157 V158 K164D157-Q160 HydrophobicContact CB-CB 4.47Å; D157-Q160 HydrophobicContact CB-CG 4.06Å; D157-Q160 WeakPolarHBondContact O-CB 3.27Å; D157-Q160 PolarHBondContact O-N 2.76Å; V158-Q160 VanDerWaalsContact C-N 3.31Å; V158-Q160 PolarHBondContact O-N 3.4Å; Q160-K164 WeakPolarHBondContact O-CB 3.39Å; Q160-K164 PolarHBondContact O-N 3.33Å
161L78.3Confident73.7Confident8 Ų882.1 Ų82.14%0.04241%0.414CS..Hα-helixtrans-70.5-42.2175.6-175.767000110.7V100 C103 L104 Y152 D157 V158 S159 A165V100-L161 HydrophobicContact CG1-CD1 3.98Å; C103-L161 HydrophobicContact CB-CD1 3.8Å; C103-L161 HydrophobicContact CB-CD2 3.85Å; C103-L161 HydrophobicContact CB-CG 4.46Å; L104-L161 HydrophobicContact CB-CD2 4.44Å; L104-L161 HydrophobicContact CD1-CD2 4.11Å; L104-L161 HydrophobicContact CD1-CG 4Å; Y152-L161 HydrophobicContact CE1-CD1 4.2Å; Y152-L161 HydrophobicContact CE2-CD1 4.14Å; Y152-L161 WeakPolarHBondContact OH-CD1 3.04Å; D157-L161 PolarHBondContact O-N 3.47Å; V158-L161 WeakPolarHBondContact O-CA 3.38Å; V158-L161 WeakPolarHBondContact O-CB 3.25Å; V158-L161 PolarHBondContact O-N 3.48Å; S159-L161 VanDerWaalsContact C-N 3.28Å; S159-L161 PolarHBondContact O-N 3.06Å; L161-A165 WeakPolarHBondContact O-CB 3.45Å; L161-A165 PolarHBondContact O-N 3.28Å
162E77.4Confident73.3Confident39 Ų3976.4 Ų76.418%0.18240%0.399CS..Hα-helixtrans-60-52.2174.3-68.5-174.8163.100110.5L104 V158 S159 K164 A165 H166 L202L104-E162 HydrophobicContact CD1-CG 3.98Å; V158-E162 HydrophobicContact CG1-CG 4.34Å; V158-E162 WeakPolarHBondContact O-CG 3.46Å; V158-E162 PolarHBondContact O-N 3.18Å; S159-E162 PolarHBondContact O-N 2.85Å; E162-K164 VanDerWaalsContact C-N 3.33Å; E162-K164 PolarHBondContact O-N 3.26Å; E162-A165 CarbonylContact O-C 3.58Å; E162-A165 WeakPolarHBondContact O-CA 3.4Å; E162-A165 VanDerWaalsContact O-CB 3.3Å; E162-A165 WeakPolarHBondContact O-CB 3.3Å; E162-A165 PolarHBondContact O-N 2.92Å; E162-H166 PolarHBondContact O-CD2 3.44Å; E162-H166 PolarHBondContact O-N 3.24Å; E162-H166 PolarHBondContact O-ND1 2.88Å; E162-H166 PolarHBondContact O-NE2 3Å; E162-L202 HydrophobicContact CG-CD2 3.87Å; E162-L202 WeakPolarHBondContact OE1-CG 3.47Å
163D78.4Confident72.8Confident96 Ų9679.2 Ų79.251%0.51342%0.422SS..Hα-helixtrans-55.7-44.5178.6-69.2-24.4000112.8S159 A165 H166 L167S159-D163 WeakPolarHBondContact O-CB 3.3Å; S159-D163 PolarHBondContact O-N 3.26Å; D163-A165 VanDerWaalsContact C-N 3.32Å; D163-A165 PolarHBondContact O-N 2.9Å; D163-H166 PolarHBondContact O-N 2.99Å; D163-L167 PolarHBondContact O-N 3.19Å
164K79.6Confident72.4Confident126 Ų12679.7 Ų79.755%0.54842%0.415SS..Hα-helixtrans-65-37.5175-102.4175.4178.1162.70112.4V100 Q160 E162 R168V100-K164 HydrophobicContact CG1-CB 4.26Å; Q160-K164 WeakPolarHBondContact O-CB 3.39Å; Q160-K164 PolarHBondContact O-N 3.33Å; E162-K164 VanDerWaalsContact C-N 3.33Å; E162-K164 PolarHBondContact O-N 3.26Å; K164-R168 WeakPolarHBondContact O-CB 3.41Å; K164-R168 PolarHBondContact O-N 2.74Å
165A76.3Confident72.4Confident1 Ų173.3 Ų73.31%0.00839%0.392CS..Hα-helixtrans-67.1-43.6178.500000110.3V100 L104 L161 E162 D163 L167 R168 F169V100-A165 HydrophobicContact CG1-CB 3.65Å; L104-A165 HydrophobicContact CD1-CB 4.4Å; L104-A165 HydrophobicContact CD2-CB 4.47Å; L161-A165 WeakPolarHBondContact O-CB 3.45Å; L161-A165 PolarHBondContact O-N 3.28Å; E162-A165 CarbonylContact O-C 3.58Å; E162-A165 WeakPolarHBondContact O-CA 3.4Å; E162-A165 VanDerWaalsContact O-CB 3.3Å; E162-A165 WeakPolarHBondContact O-CB 3.3Å; E162-A165 PolarHBondContact O-N 2.92Å; D163-A165 VanDerWaalsContact C-N 3.32Å; D163-A165 PolarHBondContact O-N 2.9Å; A165-L167 PolarHBondContact O-N 3.38Å; A165-R168 PolarHBondContact O-N 3.33Å; A165-R168 VanDerWaalsContact O-N 3.14Å; A165-F169 HydrophobicContact CB-CD2 4.06Å; A165-F169 HydrophobicContact CB-CE2 3.62Å; A165-F169 HydrophobicContact CB-CZ 4.4Å; A165-F169 WeakPolarHBondContact O-CD2 3.39Å; A165-F169 VanDerWaalsContact O-CG 3.32Å; A165-F169 WeakPolarHBondContact O-CG 3.26Å; A165-F169 PolarHBondContact O-N 3.44Å
166H75.9Confident73.1Confident36 Ų3673.7 Ų73.717%0.16739%0.394CS..Hα-helixtrans-55.5-51.8177.9-58.3-31.9000111.7E162 D163 R168 F169 C170 F205E162-H166 PolarHBondContact O-CD2 3.44Å; E162-H166 PolarHBondContact O-N 3.24Å; E162-H166 PolarHBondContact O-ND1 2.88Å; E162-H166 PolarHBondContact O-NE2 3Å; D163-H166 PolarHBondContact O-N 2.99Å; H166-R168 VanDerWaalsContact C-N 3.29Å; H166-R168 PolarHBondContact O-N 3.34Å; H166-F169 PolarHBondContact O-N 2.99Å; H166-C170 PolarHBondContact O-N 3.38Å; H166-F205 HydrophobicContact CB-CE1 4.21Å; H166-F205 HydrophobicContact CB-CE2 4.23Å; H166-F205 HydrophobicContact CB-CZ 3.64Å; H166-F205 AromaticContact CD2-CE2 3.86Å; H166-F205 AromaticContact CE1-CD1 3.28Å; H166-F205 WeakPolarHBondContact CE1-CD1 3.35Å; H166-F205 AromaticContact CE1-CD2 3.36Å; H166-F205 WeakPolarHBondContact CE1-CD2 3.45Å; H166-F205 AromaticContact CE1-CE1 3.43Å; H166-F205 VanDerWaalsContact CE1-CE1 3.43Å; H166-F205 WeakPolarHBondContact CE1-CE1 3.44Å; H166-F205 AromaticContact CE1-CE2 3.42Å; H166-F205 VanDerWaalsContact CE1-CE2 3.42Å; H166-F205 WeakPolarHBondContact CE1-CE2 3.37Å; H166-F205 AromaticContact CE1-CG 3.3Å; H166-F205 WeakPolarHBondContact CE1-CG 3.5Å; H166-F205 AromaticContact CE1-CZ 3.51Å; H166-F205 AromaticContact CG-CE1 3.73Å; H166-F205 AromaticContact CG-CE2 3.58Å; H166-F205 AromaticContact CG-CZ 3.3Å; H166-F205 AromaticContact ND1-CD1 3.24Å; H166-F205 WeakPolarHBondContact ND1-CD1 3.33Å; H166-F205 AromaticContact ND1-CD2 3.73Å; H166-F205 AromaticContact ND1-CE1 2.86Å; H166-F205 WeakPolarHBondContact ND1-CE1 3.31Å; H166-F205 AromaticContact ND1-CE2 3.32Å; H166-F205 VanDerWaalsContact ND1-CE2 3.32Å; H166-F205 WeakPolarHBondContact ND1-CE2 3.41Å; H166-F205 AromaticContact ND1-CG 3.7Å; H166-F205 AromaticContact ND1-CZ 2.92Å; H166-F205 WeakPolarHBondContact ND1-CZ 3.33Å; H166-F205 AromaticContact NE2-CD2 3.8Å; H166-F205 AromaticContact NE2-CE2 3.76Å
167L71.2Confident73.8Confident138 Ų13879.4 Ų79.472%0.72341%0.414SS*.Hα-helixtrans-59.1-40.3177.1-77.3165.2000112.5D163 A165 S171D163-L167 PolarHBondContact O-N 3.19Å; A165-L167 PolarHBondContact O-N 3.38Å; L167-S171 WeakPolarHBondContact O-CB 3.44Å
168R77.1Confident74.4Confident122 Ų12277.6 Ų77.646%0.4641%0.407SS..Hα-helixtrans-72.3-45.9-176.6-16671.7177-157.43.7111.8K164 A165 H166 S171 S172K164-R168 WeakPolarHBondContact O-CB 3.41Å; K164-R168 PolarHBondContact O-N 2.74Å; A165-R168 PolarHBondContact O-N 3.33Å; A165-R168 VanDerWaalsContact O-N 3.14Å; H166-R168 VanDerWaalsContact C-N 3.29Å; H166-R168 PolarHBondContact O-N 3.34Å; R168-S171 PolarHBondContact O-N 3.04Å; R168-S172 PolarHBondContact O-N 3.11Å; R168-S172 PolarHBondContact O-OG 3.29Å
169F74Confident75Confident10 Ų1078 Ų784%0.04441%0.412CS..Hα-helixtrans-67.6-39.4-175.6-67.1-46000112.6T101 L104 A165 H166 S171 L189 L206 L213T101-F169 HydrophobicContact CG2-CE1 3.88Å; T101-F169 HydrophobicContact CG2-CZ 3.77Å; T101-F169 VanDerWaalsContact OG1-CE1 3.32Å; T101-F169 WeakPolarHBondContact OG1-CE1 3.4Å; T101-F169 WeakPolarHBondContact OG1-CZ 3.36Å; L104-F169 HydrophobicContact CD2-CE2 4.49Å; A165-F169 HydrophobicContact CB-CD2 4.06Å; A165-F169 HydrophobicContact CB-CE2 3.62Å; A165-F169 HydrophobicContact CB-CZ 4.4Å; A165-F169 WeakPolarHBondContact O-CD2 3.39Å; A165-F169 VanDerWaalsContact O-CG 3.32Å; A165-F169 WeakPolarHBondContact O-CG 3.26Å; A165-F169 PolarHBondContact O-N 3.44Å; H166-F169 PolarHBondContact O-N 2.99Å; F169-S171 VanDerWaalsContact C-N 3.27Å; F169-S171 PolarHBondContact O-N 3.17Å; F169-L189 HydrophobicContact CE1-CD1 4.4Å; F169-L189 HydrophobicContact CE1-CD2 4.02Å; F169-L189 HydrophobicContact CE2-CD2 4.34Å; F169-L189 HydrophobicContact CZ-CD2 3.78Å; F169-L206 HydrophobicContact CD2-CD2 4.12Å; F169-L206 HydrophobicContact CE2-CD2 4.27Å; F169-L213 HydrophobicContact CB-CD2 4.02Å; F169-L213 HydrophobicContact CD1-CD1 4.46Å; F169-L213 HydrophobicContact CD1-CD2 3.67Å; F169-L213 HydrophobicContact CD2-CD2 4.35Å; F169-L213 HydrophobicContact CE1-CD2 4.2Å; F169-L213 HydrophobicContact CG-CD2 3.78Å
170C68.6Low75.6Confident81 Ų8176.5 Ų76.555%0.54740%0.401SS..Hα-helixtrans-68.8-26.5178.1-72.30000113.1H166H166-C170 PolarHBondContact O-N 3.38Å
171S67.8Low76.1Confident100 Ų10072.8 Ų72.870%0.69939%0.386SS*.Hα-helixtrans-85.5-19.5-176.71600000114.3L167 R168 F169L167-S171 WeakPolarHBondContact O-CB 3.44Å; R168-S171 PolarHBondContact O-N 3.04Å; F169-S171 VanDerWaalsContact C-N 3.27Å; F169-S171 PolarHBondContact O-N 3.17Å
172S70.4Confident76.6Confident37 Ų3772.8 Ų72.826%0.25939%0.386SS..  trans-98.4123.6-165.927.10000112.5R168 F174R168-S172 PolarHBondContact O-N 3.11Å; R168-S172 PolarHBondContact O-OG 3.29Å; S172-F174 VanDerWaalsContact CB-CE2 3.41Å; S172-F174 VanDerWaalsContact O-CD2 3.22Å; S172-F174 WeakPolarHBondContact O-CD2 3.38Å; S172-F174 PolarHBondContact O-N 3.03Å; S172-F174 WeakPolarHBondContact OG-CE2 3.5Å; S172-F174 WeakPolarHBondContact OG-CZ 3.22Å
173T68.5Low77.2Confident121 Ų12170.9 Ų70.974%0.74238%0.377SS*.  trans-79.4102.1169.852.10000108.8
174F69.8Low77.8Confident43 Ų4366.5 Ų66.519%0.18935%0.354CS..  trans-89.9152.3174.1-60.4-76.2000110.2S172 V185 L213 F216S172-F174 VanDerWaalsContact CB-CE2 3.41Å; S172-F174 VanDerWaalsContact O-CD2 3.22Å; S172-F174 WeakPolarHBondContact O-CD2 3.38Å; S172-F174 PolarHBondContact O-N 3.03Å; S172-F174 WeakPolarHBondContact OG-CE2 3.5Å; S172-F174 WeakPolarHBondContact OG-CZ 3.22Å; F174-V185 HydrophobicContact CD1-CG1 4.46Å; F174-V185 HydrophobicContact CE1-CB 4.45Å; F174-V185 HydrophobicContact CE1-CG1 4.05Å; F174-V185 HydrophobicContact CE1-CG2 4.08Å; F174-V185 HydrophobicContact CZ-CG1 4.23Å; F174-L213 HydrophobicContact CD2-CD1 3.31Å; F174-L213 HydrophobicContact CE2-CD1 3.26Å; F174-L213 HydrophobicContact CG-CD1 4.3Å; F174-L213 HydrophobicContact CZ-CD1 4.24Å; F174-F216 HydrophobicContact CB-CD2 3.76Å; F174-F216 HydrophobicContact CB-CE2 3.81Å; F174-F216 HydrophobicContact CB-CG 4.2Å; F174-F216 HydrophobicContact CB-CZ 4.39Å
175F68.9Low78.3Confident57 Ų5760.5 Ų60.525%0.2533%0.328CS..  trans74.914.4170.4-124.7-125000120.6F31 Q177 D182 F216 I220 I223 Y224F31-F175 HydrophobicContact CZ-CE2 4.15Å; F175-Q177 PolarHBondContact O-N 2.94Å; F175-D182 HydrophobicContact CD2-CB 4.49Å; F175-F216 HydrophobicContact CB-CD2 3.85Å; F175-F216 HydrophobicContact CB-CE2 4.24Å; F175-F216 AromaticContact CD2-CD2 3.53Å; F175-F216 HydrophobicContact CD2-CD2 3.53Å; F175-F216 AromaticContact CD2-CE2 3.35Å; F175-F216 HydrophobicContact CD2-CE2 3.35Å; F175-F216 HydrophobicContact CE2-CD2 4.17Å; F175-F216 AromaticContact CE2-CE2 3.9Å; F175-F216 HydrophobicContact CE2-CE2 3.9Å; F175-F216 AromaticContact CG-CD2 3.84Å; F175-F216 HydrophobicContact CG-CD2 3.84Å; F175-F216 HydrophobicContact CG-CE2 4.1Å; F175-I220 HydrophobicContact CD2-CD1 4.28Å; F175-I220 HydrophobicContact CD2-CG1 4.28Å; F175-I220 HydrophobicContact CE1-CG1 4.49Å; F175-I220 HydrophobicContact CE2-CD1 3.56Å; F175-I220 HydrophobicContact CE2-CG1 3.25Å; F175-I220 HydrophobicContact CZ-CD1 4.2Å; F175-I220 HydrophobicContact CZ-CG1 3.36Å; F175-I223 HydrophobicContact CE1-CD1 4.43Å; F175-Y224 HydrophobicContact CE1-CE2 4.5Å; F175-Y224 HydrophobicContact CZ-CD2 4.46Å; F175-Y224 AromaticContact CZ-CE2 3.8Å; F175-Y224 HydrophobicContact CZ-CE2 3.8Å
176Q71.4Confident79Confident179 Ų17960.5 Ų60.584%0.83633%0.327SS*.SBendtrans-62.7-30.7168.3-70.6-151.5-700112
177Q77.6Confident79.8Confident160 Ų16058.8 Ų58.875%0.74832%0.32SS*.SBendtrans-151.8130.6171.4-152170.522.100108.7F175 S179 D182F175-Q177 PolarHBondContact O-N 2.94Å; Q177-S179 PolarHBondContact O-N 3.28Å; Q177-D182 VanDerWaalsContact O-OD2 3.14Å
178P84.1Confident80.7Confident55 Ų5552.2 Ų52.236%0.35729%0.285SS..  trans-61.9113-173.424.1-33.6000110.7F31F31-P178 HydrophobicContact CB-CB 4.33Å; F31-P178 HydrophobicContact CD1-CB 3.76Å; F31-P178 HydrophobicContact CD2-CB 4.05Å; F31-P178 HydrophobicContact CE1-CB 4.02Å; F31-P178 HydrophobicContact CE2-CB 4.26Å; F31-P178 HydrophobicContact CG-CB 3.8Å; F31-P178 HydrophobicContact CZ-CB 4.26Å
179S87.1Confident81.3Confident42 Ų4246.4 Ų46.429%0.29426%0.264SS..  trans-114164.8-175.672.60000112.5F31 Q177 V181 D182 A183F31-S179 WeakPolarHBondContact CD2-O 3.47Å; F31-S179 WeakPolarHBondContact CE2-O 3.37Å; Q177-S179 PolarHBondContact O-N 3.28Å; S179-V181 PolarHBondContact O-N 3.36Å; S179-V181 PolarHBondContact OG-N 3Å; S179-D182 WeakPolarHBondContact CB-OD2 3.45Å; S179-D182 PolarHBondContact N-OD2 2.88Å; S179-D182 WeakPolarHBondContact O-CB 3.43Å; S179-D182 PolarHBondContact O-N 3.41Å; S179-D182 PolarHBondContact OG-N 3.29Å; S179-D182 VanDerWaalsContact OG-N 3.09Å; S179-D182 PolarHBondContact OG-OD2 3.48Å; S179-A183 PolarHBondContact O-N 3.38Å; S179-A183 VanDerWaalsContact O-N 3.11Å
180S87.4Confident82.2Confident36 Ų3646 Ų4625%0.25226%0.261SS..Hα-helixtrans-62.3-26.9171.454.30000112.7F184S180-F184 PolarHBondContact O-N 2.83Å; S180-F184 VanDerWaalsContact O-N 3.14Å
181V87.5Confident83.3Confident41 Ų4142.1 Ų42.125%0.24824%0.235CC..Hα-helixtrans-68.7-44.8174.1173.20000110.5V92 H98 S179 A183 F184 V185V92-V181 HydrophobicContact CG1-CG2 4.26Å; V92-V181 HydrophobicContact CG2-CG2 4.02Å; H98-V181 WeakPolarHBondContact CE1-CG1 3.07Å; H98-V181 WeakPolarHBondContact NE2-CG1 3.46Å; S179-V181 PolarHBondContact O-N 3.36Å; S179-V181 PolarHBondContact OG-N 3Å; V181-A183 VanDerWaalsContact C-N 3.28Å; V181-A183 PolarHBondContact O-N 3.49Å; V181-F184 WeakPolarHBondContact O-CB 3.4Å; V181-F184 PolarHBondContact O-N 2.94Å; V181-F184 VanDerWaalsContact O-N 3.11Å; V181-V185 HydrophobicContact CG1-CG2 4.21Å; V181-V185 WeakPolarHBondContact O-CG2 3.41Å; V181-V185 PolarHBondContact O-N 3.24Å
182D89.5Confident84.4Confident8 Ų837.4 Ų37.44%0.04320%0.203CC..Hα-helixtrans-59.6-41.7175.9-61-47.4000110.9F31 F175 Q177 S179 F184 V185 F186 F216F31-D182 HydrophobicContact CE2-CB 4.06Å; F175-D182 HydrophobicContact CD2-CB 4.49Å; Q177-D182 VanDerWaalsContact O-OD2 3.14Å; S179-D182 WeakPolarHBondContact CB-OD2 3.45Å; S179-D182 PolarHBondContact N-OD2 2.88Å; S179-D182 WeakPolarHBondContact O-CB 3.43Å; S179-D182 PolarHBondContact O-N 3.41Å; S179-D182 PolarHBondContact OG-N 3.29Å; S179-D182 VanDerWaalsContact OG-N 3.09Å; S179-D182 PolarHBondContact OG-OD2 3.48Å; D182-F184 VanDerWaalsContact C-N 3.3Å; D182-F184 PolarHBondContact O-N 3.13Å; D182-V185 PolarHBondContact O-N 2.91Å; D182-F186 WeakPolarHBondContact O-CB 3.26Å; D182-F186 PolarHBondContact O-N 3.11Å; D182-F216 HydrophobicContact CB-CE2 3.88Å; D182-F216 HydrophobicContact CB-CZ 3.88Å
183A91.1Very high85.3Confident0 Ų035.9 Ų35.90%019%0.191CC..Hα-helixtrans-61.6-40.1176.600000112.1A27 C28 F31 S179 V181 G187A27-A183 HydrophobicContact CB-CB 3.74Å; C28-A183 HydrophobicContact CB-CB 3.83Å; F31-A183 HydrophobicContact CD2-CB 3.93Å; F31-A183 HydrophobicContact CE2-CB 3.73Å; S179-A183 PolarHBondContact O-N 3.38Å; S179-A183 VanDerWaalsContact O-N 3.11Å; V181-A183 VanDerWaalsContact C-N 3.28Å; V181-A183 PolarHBondContact O-N 3.49Å; A183-G187 PolarHBondContact O-N 2.88Å; A183-G187 VanDerWaalsContact O-N 3.13Å
184F89.9Confident86.4Confident3 Ų332.5 Ų32.51%0.01317%0.165CC..Hα-helixtrans-66.1-51.2177.4-177.7-92.1000112.1Q24 V92 H98 L102 S180 V181 D182 F186 G187 C188Q24-F184 HydrophobicContact CG-CD2 4.49Å; Q24-F184 VanDerWaalsContact NE2-CD2 3.32Å; Q24-F184 PolarHBondContact NE2-O 3.45Å; V92-F184 HydrophobicContact CB-CB 4.23Å; V92-F184 HydrophobicContact CB-CG 4.43Å; V92-F184 HydrophobicContact CG1-CB 3.38Å; V92-F184 HydrophobicContact CG1-CD1 3.99Å; V92-F184 HydrophobicContact CG1-CD2 4.01Å; V92-F184 HydrophobicContact CG1-CG 3.52Å; H98-F184 HydrophobicContact CB-CD1 3.74Å; H98-F184 HydrophobicContact CB-CE1 3.5Å; H98-F184 VanDerWaalsContact CB-CE1 3.5Å; H98-F184 HydrophobicContact CB-CZ 4.46Å; L102-F184 HydrophobicContact CB-CE1 4.23Å; L102-F184 HydrophobicContact CB-CZ 3.85Å; L102-F184 HydrophobicContact CD1-CE2 3.93Å; L102-F184 HydrophobicContact CD1-CZ 3.5Å; L102-F184 HydrophobicContact CG-CZ 4.29Å; S180-F184 PolarHBondContact O-N 2.83Å; S180-F184 VanDerWaalsContact O-N 3.14Å; V181-F184 WeakPolarHBondContact O-CB 3.4Å; V181-F184 PolarHBondContact O-N 2.94Å; V181-F184 VanDerWaalsContact O-N 3.11Å; D182-F184 VanDerWaalsContact C-N 3.3Å; D182-F184 PolarHBondContact O-N 3.13Å; F184-F186 VanDerWaalsContact C-N 3.34Å; F184-F186 PolarHBondContact O-N 3.19Å; F184-G187 PolarHBondContact O-N 3.4Å; F184-C188 PolarHBondContact O-N 2.98Å; F184-C188 VanDerWaalsContact O-N 3.11Å
185V89.4Confident87.3Confident1 Ų130.5 Ų30.51%0.00616%0.157CC..Hα-helixtrans-62.3-43.6-179171.40000110.2F174 V181 D182 G187 C188 L189 F216F174-V185 HydrophobicContact CD1-CG1 4.46Å; F174-V185 HydrophobicContact CE1-CB 4.45Å; F174-V185 HydrophobicContact CE1-CG1 4.05Å; F174-V185 HydrophobicContact CE1-CG2 4.08Å; F174-V185 HydrophobicContact CZ-CG1 4.23Å; V181-V185 HydrophobicContact CG1-CG2 4.21Å; V181-V185 WeakPolarHBondContact O-CG2 3.41Å; V181-V185 PolarHBondContact O-N 3.24Å; D182-V185 PolarHBondContact O-N 2.91Å; V185-G187 PolarHBondContact O-N 3.47Å; V185-C188 PolarHBondContact O-N 3.32Å; V185-L189 HydrophobicContact CG1-CD1 3.41Å; V185-L189 VanDerWaalsContact CG1-CD1 3.41Å; V185-L189 HydrophobicContact CG1-CG 4.21Å; V185-L189 WeakPolarHBondContact O-CB 3.4Å; V185-L189 WeakPolarHBondContact O-CG 3.27Å; V185-L189 PolarHBondContact O-N 2.89Å; V185-F216 HydrophobicContact CG1-CE1 4.2Å
186F91.9Very high88.3Confident0 Ų031.3 Ų31.30%017%0.167CC..Hα-helixtrans-52.3-55.8171.6166.6-105.3000112.1L23 A27 D182 F184 C188 L189 A190 F216 V217 I220 I221 M225L23-F186 HydrophobicContact CB-CD1 4.37Å; L23-F186 HydrophobicContact CB-CE1 3.88Å; L23-F186 HydrophobicContact CD2-CE1 4.14Å; L23-F186 HydrophobicContact CD2-CZ 4.28Å; L23-F186 HydrophobicContact CG-CE1 4.5Å; A27-F186 HydrophobicContact CB-CD1 3.68Å; A27-F186 HydrophobicContact CB-CE1 4.11Å; D182-F186 WeakPolarHBondContact O-CB 3.26Å; D182-F186 PolarHBondContact O-N 3.11Å; F184-F186 VanDerWaalsContact C-N 3.34Å; F184-F186 PolarHBondContact O-N 3.19Å; F186-C188 PolarHBondContact O-N 3.31Å; F186-L189 PolarHBondContact O-N 3.34Å; F186-L189 VanDerWaalsContact O-N 3.14Å; F186-A190 HydrophobicContact CD2-CB 4.16Å; F186-A190 HydrophobicContact CE2-CB 3.81Å; F186-A190 HydrophobicContact CZ-CB 4.16Å; F186-A190 WeakPolarHBondContact O-CB 3.39Å; F186-A190 PolarHBondContact O-N 3.14Å; F186-F216 HydrophobicContact CB-CE1 4.17Å; F186-F216 HydrophobicContact CB-CZ 4.3Å; F186-V217 HydrophobicContact CD2-CB 4.41Å; F186-V217 HydrophobicContact CD2-CG1 3.92Å; F186-V217 HydrophobicContact CD2-CG2 4.38Å; F186-V217 HydrophobicContact CE2-CG1 3.82Å; F186-I220 HydrophobicContact CB-CD1 3.65Å; F186-I220 HydrophobicContact CD1-CG2 4.04Å; F186-I220 HydrophobicContact CD2-CB 3.81Å; F186-I220 HydrophobicContact CD2-CD1 3.83Å; F186-I220 HydrophobicContact CD2-CG1 4.42Å; F186-I220 HydrophobicContact CD2-CG2 3.65Å; F186-I220 HydrophobicContact CE1-CG2 4.04Å; F186-I220 HydrophobicContact CE2-CB 3.96Å; F186-I220 HydrophobicContact CE2-CG2 3.65Å; F186-I220 HydrophobicContact CG-CB 4.37Å; F186-I220 HydrophobicContact CG-CD1 3.86Å; F186-I220 HydrophobicContact CG-CG2 3.85Å; F186-I220 HydrophobicContact CZ-CG2 3.85Å; F186-I221 HydrophobicContact CE2-CD1 4.23Å; F186-I221 HydrophobicContact CE2-CG1 3.7Å; F186-I221 HydrophobicContact CZ-CG1 3.9Å; F186-M225 HydrophobicContact CD1-CE 4.29Å; F186-M225 HydrophobicContact CE1-CE 3.48Å; F186-M225 VanDerWaalsContact CE1-CE 3.48Å; F186-M225 HydrophobicContact CE1-SD 4.38Å; F186-M225 HydrophobicContact CZ-CE 3.91Å
187G91.8Very high89.1Confident0 Ų023.2 Ų23.20%013%0.13CC..Hα-helixtrans-67.3-22.5-176.500000114A20 A183 F184 V185 P191A20-G187 VanDerWaalsContact CA-O 3.23Å; A20-G187 WeakPolarHBondContact CA-O 3.36Å; A20-G187 VanDerWaalsContact CB-O 3.24Å; A20-G187 WeakPolarHBondContact CB-O 3.3Å; A183-G187 PolarHBondContact O-N 2.88Å; A183-G187 VanDerWaalsContact O-N 3.13Å; F184-G187 PolarHBondContact O-N 3.4Å; V185-G187 PolarHBondContact O-N 3.47Å; G187-P191 WeakPolarHBondContact O-CD 3.47Å
188C90.5Very high89.5Confident1 Ų118.8 Ų18.81%0.00712%0.115CC..Hα-helixtrans-79.7-37.7171-69.50000113Q24 T101 Q105 F184 V185 F186Q24-C188 PolarHBondContact NE2-SG 3.38Å; Q24-C188 VanDerWaalsContact NE2-SG 3.35Å; T101-C188 HydrophobicContact CG2-CB 3.51Å; Q105-C188 HydrophobicContact CB-CB 4.29Å; Q105-C188 HydrophobicContact CG-CB 4.44Å; Q105-C188 PolarHBondContact NE2-O 3.41Å; Q105-C188 PolarHBondContact OE1-O 3.35Å; F184-C188 PolarHBondContact O-N 2.98Å; F184-C188 VanDerWaalsContact O-N 3.11Å; V185-C188 PolarHBondContact O-N 3.32Å; F186-C188 PolarHBondContact O-N 3.31Å
189L90.6Very high89.6Confident0 Ų018.6 Ų18.60%011%0.111CC..Hα-helixtrans-85.1-33.6-175.4-71.7171.3000113.5T101 F169 V185 F186 L192 I193 L206 L213 V217T101-L189 HydrophobicContact CG2-CD2 4.22Å; T101-L189 HydrophobicContact CG2-CG 4.13Å; F169-L189 HydrophobicContact CE1-CD1 4.4Å; F169-L189 HydrophobicContact CE1-CD2 4.02Å; F169-L189 HydrophobicContact CE2-CD2 4.34Å; F169-L189 HydrophobicContact CZ-CD2 3.78Å; V185-L189 HydrophobicContact CG1-CD1 3.41Å; V185-L189 VanDerWaalsContact CG1-CD1 3.41Å; V185-L189 HydrophobicContact CG1-CG 4.21Å; V185-L189 WeakPolarHBondContact O-CB 3.4Å; V185-L189 WeakPolarHBondContact O-CG 3.27Å; V185-L189 PolarHBondContact O-N 2.89Å; F186-L189 PolarHBondContact O-N 3.34Å; F186-L189 VanDerWaalsContact O-N 3.14Å; L189-L192 HydrophobicContact CD2-CD1 4.4Å; L189-L192 WeakPolarHBondContact O-CA 3.45Å; L189-L192 WeakPolarHBondContact O-CB 3.25Å; L189-L192 PolarHBondContact O-N 3Å; L189-I193 HydrophobicContact CB-CD1 4.24Å; L189-I193 WeakPolarHBondContact O-CG1 3.48Å; L189-I193 PolarHBondContact O-N 3.38Å; L189-L206 HydrophobicContact CD2-CD1 4.29Å; L189-L206 HydrophobicContact CD2-CD2 4.4Å; L189-L213 HydrophobicContact CD1-CD1 4.05Å; L189-L213 HydrophobicContact CD1-CD2 3.34Å; L189-L213 HydrophobicContact CD1-CG 3.54Å; L189-L213 HydrophobicContact CD2-CD2 3.89Å; L189-L213 HydrophobicContact CG-CD2 4.27Å; L189-V217 HydrophobicContact CB-CG2 3.93Å; L189-V217 HydrophobicContact CD1-CG2 4.45Å
190A92.8Very high89.5Confident0 Ų020.3 Ų20.30%012%0.117CC..Hα-helixtrans-58.3-47.7-174.800000112.3L15 L23 F186 L192 I193 Y194 V217L15-A190 HydrophobicContact CD2-CB 3.75Å; L23-A190 HydrophobicContact CD1-CB 3.88Å; F186-A190 HydrophobicContact CD2-CB 4.16Å; F186-A190 HydrophobicContact CE2-CB 3.81Å; F186-A190 HydrophobicContact CZ-CB 4.16Å; F186-A190 WeakPolarHBondContact O-CB 3.39Å; F186-A190 PolarHBondContact O-N 3.14Å; A190-L192 VanDerWaalsContact C-N 3.3Å; A190-L192 PolarHBondContact O-N 3.29Å; A190-I193 PolarHBondContact O-N 2.86Å; A190-Y194 WeakPolarHBondContact O-CB 3.3Å; A190-Y194 WeakPolarHBondContact O-CD2 3.29Å; A190-Y194 PolarHBondContact O-N 3.04Å; A190-V217 HydrophobicContact CB-CG1 3.71Å
191P91.8Very high89.4Confident0 Ų027.5 Ų27.50%014%0.138CC..Hα-helixtrans-65.5-32.6174.3-22.136.1000113.1L15 L23 Q105 I109 G187 I193 I195L15-P191 HydrophobicContact CD1-CB 4.4Å; L15-P191 HydrophobicContact CD1-CG 4.44Å; L23-P191 HydrophobicContact CD1-CG 3.67Å; Q105-P191 VanDerWaalsContact NE2-CB 3.31Å; I109-P191 HydrophobicContact CD1-CB 3.84Å; G187-P191 WeakPolarHBondContact O-CD 3.47Å; P191-I193 VanDerWaalsContact C-N 3.33Å; P191-I193 PolarHBondContact O-N 3.47Å; P191-I195 HydrophobicContact CB-CD1 3.66Å; P191-I195 HydrophobicContact CB-CG1 4.3Å; P191-I195 VanDerWaalsContact O-CB 3.28Å; P191-I195 WeakPolarHBondContact O-CB 3.24Å; P191-I195 VanDerWaalsContact O-CG1 3.29Å; P191-I195 WeakPolarHBondContact O-CG1 3.24Å; P191-I195 PolarHBondContact O-N 2.91Å
192L90.2Very high89.2Confident2 Ų226.1 Ų26.11%0.0113%0.13CC..Hα-helixtrans-63.5-40175.1-67.9177000111.5L104 Q105 T108 L189 A190 Q203 L206L104-L192 HydrophobicContact CD2-CD1 3.92Å; Q105-L192 HydrophobicContact CB-CD1 4.46Å; T108-L192 HydrophobicContact CG2-CD2 3.87Å; L189-L192 HydrophobicContact CD2-CD1 4.4Å; L189-L192 WeakPolarHBondContact O-CA 3.45Å; L189-L192 WeakPolarHBondContact O-CB 3.25Å; L189-L192 PolarHBondContact O-N 3Å; A190-L192 VanDerWaalsContact C-N 3.3Å; A190-L192 PolarHBondContact O-N 3.29Å; L192-Q203 WeakPolarHBondContact O-CG 3.29Å; L192-Q203 PolarHBondContact O-NE2 2.94Å; L192-L206 HydrophobicContact CB-CD1 4.29Å
193I90.3Very high89.2Confident4 Ų426.3 Ų26.32%0.02113%0.13CC..Hα-helixtrans-83.4-37.5-174-66.1164.5000112L189 A190 P191 Q203 L206 R207 V214 V217L189-I193 HydrophobicContact CB-CD1 4.24Å; L189-I193 WeakPolarHBondContact O-CG1 3.48Å; L189-I193 PolarHBondContact O-N 3.38Å; A190-I193 PolarHBondContact O-N 2.86Å; P191-I193 VanDerWaalsContact C-N 3.33Å; P191-I193 PolarHBondContact O-N 3.47Å; I193-Q203 PolarHBondContact O-NE2 2.99Å; I193-Q203 VanDerWaalsContact O-NE2 3.08Å; I193-L206 HydrophobicContact CG1-CD1 4.03Å; I193-R207 PolarHBondContact O-NH2 3.06Å; I193-V214 HydrophobicContact CD1-CG2 4.16Å; I193-V214 HydrophobicContact CG2-CG1 4.35Å; I193-V217 HydrophobicContact CD1-CB 4.3Å; I193-V217 HydrophobicContact CD1-CG2 3.92Å
194Y90.4Very high89.1Confident51 Ų5130.1 Ų30.120%0.215%0.153CC..Hα-helixtrans-100.2-29-167.5-78.4-93.3000114.6L14 L15 A190 V217 I221L14-Y194 HydrophobicContact CB-CD1 3.86Å; L14-Y194 HydrophobicContact CB-CE1 4.18Å; L14-Y194 HydrophobicContact CD1-CD1 4.31Å; L15-Y194 HydrophobicContact CD2-CD2 3.83Å; L15-Y194 HydrophobicContact CD2-CG 3.85Å; L15-Y194 HydrophobicContact CG-CG 4.19Å; A190-Y194 WeakPolarHBondContact O-CB 3.3Å; A190-Y194 WeakPolarHBondContact O-CD2 3.29Å; A190-Y194 PolarHBondContact O-N 3.04Å; Y194-V217 HydrophobicContact CD2-CG1 4.27Å; Y194-V217 HydrophobicContact CE2-CG1 3.68Å; Y194-I221 HydrophobicContact CD2-CD1 4.34Å; Y194-I221 HydrophobicContact CE1-CD1 4.46Å; Y194-I221 HydrophobicContact CE2-CD1 3.74Å
195I90Very high88.9Confident1 Ų131.2 Ų31.21%0.00516%0.158CC..SBendtrans-69.2128.6177.1-61.8176.6000108.5F13 L15 I18 I119 I120 P191 L197 Q203F13-I195 HydrophobicContact CD2-CG1 4.06Å; F13-I195 HydrophobicContact CD2-CG2 4.43Å; F13-I195 HydrophobicContact CE2-CG2 4.46Å; L15-I195 HydrophobicContact CD1-CG1 4.21Å; I18-I195 HydrophobicContact CD1-CD1 4.21Å; I18-I195 HydrophobicContact CG1-CD1 3.69Å; I18-I195 HydrophobicContact CG1-CG1 4.4Å; I119-I195 HydrophobicContact CG2-CG2 3.95Å; I120-I195 HydrophobicContact CD1-CD1 4.46Å; P191-I195 HydrophobicContact CB-CD1 3.66Å; P191-I195 HydrophobicContact CB-CG1 4.3Å; P191-I195 VanDerWaalsContact O-CB 3.28Å; P191-I195 WeakPolarHBondContact O-CB 3.24Å; P191-I195 VanDerWaalsContact O-CG1 3.29Å; P191-I195 WeakPolarHBondContact O-CG1 3.24Å; P191-I195 PolarHBondContact O-N 2.91Å; I195-L197 HydrophobicContact CB-CD2 4.37Å; I195-L197 HydrophobicContact CB-CG 4.27Å; I195-L197 HydrophobicContact CG2-CD2 3.75Å; I195-L197 HydrophobicContact CG2-CG 4.04Å; I195-L197 PolarHBondContact O-N 3.01Å; I195-Q203 PolarHBondContact O-NE2 3.38Å
196P89.4Confident88.8Confident73 Ų7331.2 Ų31.247%0.47416%0.158SC..  trans-76.262.1-174.529.9-34.6000113F13 I119F13-P196 HydrophobicContact CD1-CG 3.87Å; F13-P196 HydrophobicContact CE1-CG 3.91Å; I119-P196 VanDerWaalsContact CD1-C 3.49Å; I119-P196 HydrophobicContact CD1-CG 4.13Å; I119-P196 WeakPolarHBondContact CD1-O 2.95Å
197L87.4Confident88.6Confident9 Ų937.2 Ų37.25%0.04718%0.181CC..  trans-59.9133.1-173.4-62.1166.9000112.2T108 N115 I195 D199T108-L197 HydrophobicContact CG2-CD1 3.75Å; N115-L197 HydrophobicContact CB-CD2 3.91Å; I195-L197 HydrophobicContact CB-CD2 4.37Å; I195-L197 HydrophobicContact CB-CG 4.27Å; I195-L197 HydrophobicContact CG2-CD2 3.75Å; I195-L197 HydrophobicContact CG2-CG 4.04Å; I195-L197 PolarHBondContact O-N 3.01Å; L197-D199 VanDerWaalsContact C-N 3.34Å; L197-D199 PolarHBondContact O-N 2.96Å
198P86.9Confident88.4Confident68 Ų6841 Ų4144%0.44221%0.207SC..SBendtrans-58.6-44.1176.1-16.721.1000112.8N115 A118 I119 N200N115-P198 VanDerWaalsContact OD1-CD 3.3Å; N115-P198 WeakPolarHBondContact OD1-CD 3.42Å; A118-P198 HydrophobicContact CB-CG 3.42Å; A118-P198 VanDerWaalsContact CB-CG 3.42Å; I119-P198 HydrophobicContact CD1-CG 4.49Å; P198-N200 PolarHBondContact O-N 3.24Å
199D86.5Confident88.1Confident51 Ų5146.6 Ų46.627%0.27323%0.233SC..SBendtrans-86.894.9168.4-1743.8000108.5N112 N115 L197 R201N112-D199 PolarHBondContact ND2-OD2 3.31Å; N115-D199 WeakPolarHBondContact OD1-CB 3.46Å; N115-D199 PolarHBondContact OD1-N 3.37Å; L197-D199 VanDerWaalsContact C-N 3.34Å; L197-D199 PolarHBondContact O-N 2.96Å; D199-R201 WeakPolarHBondContact OD1-CG 3.35Å; D199-R201 PolarHBondContact OD1-N 3.02Å
200N84.8Confident87.8Confident78 Ų7846.9 Ų46.942%0.41724%0.235SC..  trans-100.511.7-173.665.8-6.1000113.4P198 L202 Q203 V204P198-N200 PolarHBondContact O-N 3.24Å; N200-L202 VanDerWaalsContact C-N 3.3Å; N200-L202 PolarHBondContact O-N 2.77Å; N200-Q203 HydrophobicContact CB-CB 4.17Å; N200-Q203 WeakPolarHBondContact O-CA 3.37Å; N200-Q203 VanDerWaalsContact O-CB 3.3Å; N200-Q203 WeakPolarHBondContact O-CB 3.48Å; N200-Q203 PolarHBondContact O-N 2.95Å; N200-V204 WeakPolarHBondContact O-CG2 3.44Å; N200-V204 PolarHBondContact O-N 2.84Å
201R84.5Confident87.5Confident186 Ų18649.9 Ų49.970%0.70225%0.254SS*.Hα-helixtrans-50.4-49.4-179-73.3177.2174.3-166.8-0.5112.5D199 Q203 V204 F205D199-R201 WeakPolarHBondContact OD1-CG 3.35Å; D199-R201 PolarHBondContact OD1-N 3.02Å; R201-Q203 PolarHBondContact O-N 3Å; R201-V204 PolarHBondContact O-N 3.33Å; R201-F205 PolarHBondContact O-N 3.5Å
202L84.4Confident87.2Confident12 Ų1256 Ų566%0.06329%0.287CS..Hα-helixtrans-65.3-36.8176.6-80.8171.4000113.3L104 T108 E162 N200 F205 L206L104-L202 HydrophobicContact CD1-CD1 4Å; L104-L202 HydrophobicContact CD1-CD2 4.09Å; L104-L202 HydrophobicContact CD2-CD1 3.94Å; L104-L202 HydrophobicContact CD2-CD2 3.79Å; L104-L202 HydrophobicContact CD2-CG 4.44Å; L104-L202 HydrophobicContact CG-CD1 3.78Å; L104-L202 HydrophobicContact CG-CD2 4.28Å; T108-L202 HydrophobicContact CG2-CD1 4.18Å; T108-L202 WeakPolarHBondContact OG1-CD1 3.47Å; E162-L202 HydrophobicContact CG-CD2 3.87Å; E162-L202 WeakPolarHBondContact OE1-CG 3.47Å; N200-L202 VanDerWaalsContact C-N 3.3Å; N200-L202 PolarHBondContact O-N 2.77Å; L202-F205 PolarHBondContact O-N 3.11Å; L202-L206 WeakPolarHBondContact O-CB 3.34Å; L202-L206 VanDerWaalsContact O-CG 3.24Å; L202-L206 WeakPolarHBondContact O-CG 3.48Å; L202-L206 PolarHBondContact O-N 3.44Å
203Q88.6Confident87.1Confident13 Ų1356.1 Ų56.16%0.06129%0.288CS..Hα-helixtrans-64.3-46.3175.6-112.3-178.637.500112.3L192 I193 I195 N200 R201 F205 L206 R207L192-Q203 WeakPolarHBondContact O-CG 3.29Å; L192-Q203 PolarHBondContact O-NE2 2.94Å; I193-Q203 PolarHBondContact O-NE2 2.99Å; I193-Q203 VanDerWaalsContact O-NE2 3.08Å; I195-Q203 PolarHBondContact O-NE2 3.38Å; N200-Q203 HydrophobicContact CB-CB 4.17Å; N200-Q203 WeakPolarHBondContact O-CA 3.37Å; N200-Q203 VanDerWaalsContact O-CB 3.3Å; N200-Q203 WeakPolarHBondContact O-CB 3.48Å; N200-Q203 PolarHBondContact O-N 2.95Å; R201-Q203 PolarHBondContact O-N 3Å; Q203-F205 VanDerWaalsContact C-N 3.31Å; Q203-L206 PolarHBondContact O-N 2.99Å; Q203-R207 WeakPolarHBondContact O-CB 3.46Å; Q203-R207 WeakPolarHBondContact O-CG 3.26Å; Q203-R207 PolarHBondContact O-N 3.01Å
204V88.1Confident87Confident79 Ų7957.5 Ų57.548%0.47930%0.297SS..Hα-helixtrans-61.7-44.4177.9174.10000109.4N200 R201 R207 S208N200-V204 WeakPolarHBondContact O-CG2 3.44Å; N200-V204 PolarHBondContact O-N 2.84Å; R201-V204 PolarHBondContact O-N 3.33Å; V204-R207 PolarHBondContact O-N 3.2Å; V204-S208 VanDerWaalsContact O-CB 3.28Å; V204-S208 WeakPolarHBondContact O-CB 3.38Å; V204-S208 PolarHBondContact O-N 3.39Å; V204-S208 PolarHBondContact O-OG 2.84Å
205F86.3Confident87Confident26 Ų2661.3 Ų61.311%0.11432%0.316CS..Hα-helixtrans-58.9-53.1174.7178.5-83.1000112H166 R201 L202 Q203 R207 S208 Q209H166-F205 HydrophobicContact CB-CE1 4.21Å; H166-F205 HydrophobicContact CB-CE2 4.23Å; H166-F205 HydrophobicContact CB-CZ 3.64Å; H166-F205 AromaticContact CD2-CE2 3.86Å; H166-F205 AromaticContact CE1-CD1 3.28Å; H166-F205 WeakPolarHBondContact CE1-CD1 3.35Å; H166-F205 AromaticContact CE1-CD2 3.36Å; H166-F205 WeakPolarHBondContact CE1-CD2 3.45Å; H166-F205 AromaticContact CE1-CE1 3.43Å; H166-F205 VanDerWaalsContact CE1-CE1 3.43Å; H166-F205 WeakPolarHBondContact CE1-CE1 3.44Å; H166-F205 AromaticContact CE1-CE2 3.42Å; H166-F205 VanDerWaalsContact CE1-CE2 3.42Å; H166-F205 WeakPolarHBondContact CE1-CE2 3.37Å; H166-F205 AromaticContact CE1-CG 3.3Å; H166-F205 WeakPolarHBondContact CE1-CG 3.5Å; H166-F205 AromaticContact CE1-CZ 3.51Å; H166-F205 AromaticContact CG-CE1 3.73Å; H166-F205 AromaticContact CG-CE2 3.58Å; H166-F205 AromaticContact CG-CZ 3.3Å; H166-F205 AromaticContact ND1-CD1 3.24Å; H166-F205 WeakPolarHBondContact ND1-CD1 3.33Å; H166-F205 AromaticContact ND1-CD2 3.73Å; H166-F205 AromaticContact ND1-CE1 2.86Å; H166-F205 WeakPolarHBondContact ND1-CE1 3.31Å; H166-F205 AromaticContact ND1-CE2 3.32Å; H166-F205 VanDerWaalsContact ND1-CE2 3.32Å; H166-F205 WeakPolarHBondContact ND1-CE2 3.41Å; H166-F205 AromaticContact ND1-CG 3.7Å; H166-F205 AromaticContact ND1-CZ 2.92Å; H166-F205 WeakPolarHBondContact ND1-CZ 3.33Å; H166-F205 AromaticContact NE2-CD2 3.8Å; H166-F205 AromaticContact NE2-CE2 3.76Å; R201-F205 PolarHBondContact O-N 3.5Å; L202-F205 PolarHBondContact O-N 3.11Å; Q203-F205 VanDerWaalsContact C-N 3.31Å; F205-R207 VanDerWaalsContact C-N 3.3Å; F205-R207 PolarHBondContact O-N 3.36Å; F205-S208 PolarHBondContact O-N 3.5Å; F205-S208 PolarHBondContact O-OG 2.99Å; F205-Q209 HydrophobicContact CD2-CB 4.39Å; F205-Q209 HydrophobicContact CD2-CG 4.08Å; F205-Q209 HydrophobicContact CE1-CB 4.09Å; F205-Q209 HydrophobicContact CE2-CB 3.93Å; F205-Q209 HydrophobicContact CE2-CG 3.79Å; F205-Q209 HydrophobicContact CZ-CB 3.7Å; F205-Q209 HydrophobicContact CZ-CG 4.11Å; F205-Q209 PolarHBondContact O-N 2.97Å
206L87Confident87Confident2 Ų261.8 Ų61.81%0.0132%0.318CS..Hα-helixtrans-60.7-39.6-176.8-73.5171.4000111.8F169 L189 L192 I193 L202 Q203 C210 L213F169-L206 HydrophobicContact CD2-CD2 4.12Å; F169-L206 HydrophobicContact CE2-CD2 4.27Å; L189-L206 HydrophobicContact CD2-CD1 4.29Å; L189-L206 HydrophobicContact CD2-CD2 4.4Å; L192-L206 HydrophobicContact CB-CD1 4.29Å; I193-L206 HydrophobicContact CG1-CD1 4.03Å; L202-L206 WeakPolarHBondContact O-CB 3.34Å; L202-L206 VanDerWaalsContact O-CG 3.24Å; L202-L206 WeakPolarHBondContact O-CG 3.48Å; L202-L206 PolarHBondContact O-N 3.44Å; Q203-L206 PolarHBondContact O-N 2.99Å; L206-C210 CarbonylContact O-C 3.56Å; L206-C210 WeakPolarHBondContact O-CA 3.28Å; L206-C210 WeakPolarHBondContact O-CB 3.3Å; L206-C210 PolarHBondContact O-N 3.2Å; L206-C210 VanDerWaalsContact O-N 3.15Å; L206-L213 HydrophobicContact CD2-CD2 3.99Å
207R88.4Confident87Confident126 Ų12658.3 Ų58.348%0.47530%0.295SS..Hα-helixtrans-72.8-36.9178.1-70.3-174.4-177.2120.9-1.8113.4I193 Q203 V204 F205 V214I193-R207 PolarHBondContact O-NH2 3.06Å; Q203-R207 WeakPolarHBondContact O-CB 3.46Å; Q203-R207 WeakPolarHBondContact O-CG 3.26Å; Q203-R207 PolarHBondContact O-N 3.01Å; V204-R207 PolarHBondContact O-N 3.2Å; F205-R207 VanDerWaalsContact C-N 3.3Å; F205-R207 PolarHBondContact O-N 3.36Å; R207-V214 HydrophobicContact CG-CG2 4.21Å
208S86.9Confident87.2Confident78 Ų7859.6 Ų59.655%0.54531%0.305SS..Hα-helixtrans-82.8-44.7-176.857.20000113.2V204 F205V204-S208 VanDerWaalsContact O-CB 3.28Å; V204-S208 WeakPolarHBondContact O-CB 3.38Å; V204-S208 PolarHBondContact O-N 3.39Å; V204-S208 PolarHBondContact O-OG 2.84Å; F205-S208 PolarHBondContact O-N 3.5Å; F205-S208 PolarHBondContact O-OG 2.99Å
209Q84.5Confident87.3Confident120 Ų12058.5 Ų58.556%0.56130%0.299SS*.Hα-helixtrans-99.7-21.5-173.1-61.2-156.41600113.9F205 P211F205-Q209 HydrophobicContact CD2-CB 4.39Å; F205-Q209 HydrophobicContact CD2-CG 4.08Å; F205-Q209 HydrophobicContact CE1-CB 4.09Å; F205-Q209 HydrophobicContact CE2-CB 3.93Å; F205-Q209 HydrophobicContact CE2-CG 3.79Å; F205-Q209 HydrophobicContact CZ-CB 3.7Å; F205-Q209 HydrophobicContact CZ-CG 4.11Å; F205-Q209 PolarHBondContact O-N 2.97Å; Q209-P211 WeakPolarHBondContact O-CD 3.34Å
210C85.3Confident87.5Confident5 Ų556 Ų563%0.03429%0.286CS..  trans-124.656.6-176.2-56.90000112.8L206 N212 L213 V214L206-C210 CarbonylContact O-C 3.56Å; L206-C210 WeakPolarHBondContact O-CA 3.28Å; L206-C210 WeakPolarHBondContact O-CB 3.3Å; L206-C210 PolarHBondContact O-N 3.2Å; L206-C210 VanDerWaalsContact O-N 3.15Å; C210-N212 PolarHBondContact O-N 2.91Å; C210-L213 HydrophobicContact CB-CB 4Å; C210-L213 WeakPolarHBondContact O-CB 3.37Å; C210-L213 PolarHBondContact O-N 2.85Å; C210-V214 PolarHBondContact O-N 3.4Å
211P86.1Confident87.8Confident63 Ų6352.7 Ų52.741%0.40927%0.268SS..Hα-helixtrans-60.4-34.3-177.226-34.9000112.5Q209 L213 V214 Q215Q209-P211 WeakPolarHBondContact O-CD 3.34Å; P211-L213 PolarHBondContact O-N 3.01Å; P211-V214 PolarHBondContact O-N 3.41Å; P211-Q215 WeakPolarHBondContact O-CG 3.2Å; P211-Q215 PolarHBondContact O-N 2.9Å
212N86.1Confident87.9Confident129 Ų12949 Ų4969%0.6926%0.262SS*.Hα-helixtrans-56.8-36.5175.9-59-18.2000111.9C210 F216C210-N212 PolarHBondContact O-N 2.91Å; N212-F216 VanDerWaalsContact O-CB 3.28Å; N212-F216 WeakPolarHBondContact O-CB 3.48Å; N212-F216 PolarHBondContact O-N 3Å
213L87.4Confident88.1Confident5 Ų553.4 Ų53.43%0.02629%0.285CS..Hα-helixtrans-76.9-37.6-177.3-15074.9000111.4F169 F174 L189 L206 C210 P211 F216 V217F169-L213 HydrophobicContact CB-CD2 4.02Å; F169-L213 HydrophobicContact CD1-CD1 4.46Å; F169-L213 HydrophobicContact CD1-CD2 3.67Å; F169-L213 HydrophobicContact CD2-CD2 4.35Å; F169-L213 HydrophobicContact CE1-CD2 4.2Å; F169-L213 HydrophobicContact CG-CD2 3.78Å; F174-L213 HydrophobicContact CD2-CD1 3.31Å; F174-L213 HydrophobicContact CE2-CD1 3.26Å; F174-L213 HydrophobicContact CG-CD1 4.3Å; F174-L213 HydrophobicContact CZ-CD1 4.24Å; L189-L213 HydrophobicContact CD1-CD1 4.05Å; L189-L213 HydrophobicContact CD1-CD2 3.34Å; L189-L213 HydrophobicContact CD1-CG 3.54Å; L189-L213 HydrophobicContact CD2-CD2 3.89Å; L189-L213 HydrophobicContact CG-CD2 4.27Å; L206-L213 HydrophobicContact CD2-CD2 3.99Å; C210-L213 HydrophobicContact CB-CB 4Å; C210-L213 WeakPolarHBondContact O-CB 3.37Å; C210-L213 PolarHBondContact O-N 2.85Å; P211-L213 PolarHBondContact O-N 3.01Å; L213-F216 WeakPolarHBondContact O-CB 3.41Å; L213-F216 PolarHBondContact O-N 3.48Å; L213-V217 WeakPolarHBondContact O-CG2 3.18Å; L213-V217 PolarHBondContact O-N 3.47Å
214V89.1Confident87.9Confident33 Ų3355.6 Ų55.620%0.229%0.293CS..Hα-helixtrans-66-44.7173.6179.50000110.4I193 R207 C210 P211 F216 V217 S218I193-V214 HydrophobicContact CD1-CG2 4.16Å; I193-V214 HydrophobicContact CG2-CG1 4.35Å; R207-V214 HydrophobicContact CG-CG2 4.21Å; C210-V214 PolarHBondContact O-N 3.4Å; P211-V214 PolarHBondContact O-N 3.41Å; V214-F216 VanDerWaalsContact C-N 3.33Å; V214-F216 PolarHBondContact O-N 3.07Å; V214-V217 PolarHBondContact O-N 2.73Å; V214-S218 WeakPolarHBondContact O-CB 3.38Å; V214-S218 PolarHBondContact O-N 3.24Å
215Q88.9Confident87.7Confident131 Ų13152.2 Ų52.261%0.61227%0.272SS*.Hα-helixtrans-60.9-41.9173.8-75.6-173.1-6.700111.9P211 V217 S218 S219P211-Q215 WeakPolarHBondContact O-CG 3.2Å; P211-Q215 PolarHBondContact O-N 2.9Å; Q215-V217 PolarHBondContact O-N 2.96Å; Q215-S218 PolarHBondContact O-N 2.91Å; Q215-S219 VanDerWaalsContact O-CB 3.29Å; Q215-S219 WeakPolarHBondContact O-CB 3.33Å; Q215-S219 PolarHBondContact O-N 3.36Å; Q215-S219 PolarHBondContact O-OG 2.85Å
216F90Very high87.1Confident10 Ų1055.6 Ų55.64%0.04430%0.296CS..Hα-helixtrans-55.6-50.6173.7158.6-97.9000112F174 F175 D182 V185 F186 N212 L213 V214 S218 S219 I220F174-F216 HydrophobicContact CB-CD2 3.76Å; F174-F216 HydrophobicContact CB-CE2 3.81Å; F174-F216 HydrophobicContact CB-CG 4.2Å; F174-F216 HydrophobicContact CB-CZ 4.39Å; F175-F216 HydrophobicContact CB-CD2 3.85Å; F175-F216 HydrophobicContact CB-CE2 4.24Å; F175-F216 AromaticContact CD2-CD2 3.53Å; F175-F216 HydrophobicContact CD2-CD2 3.53Å; F175-F216 AromaticContact CD2-CE2 3.35Å; F175-F216 HydrophobicContact CD2-CE2 3.35Å; F175-F216 HydrophobicContact CE2-CD2 4.17Å; F175-F216 AromaticContact CE2-CE2 3.9Å; F175-F216 HydrophobicContact CE2-CE2 3.9Å; F175-F216 AromaticContact CG-CD2 3.84Å; F175-F216 HydrophobicContact CG-CD2 3.84Å; F175-F216 HydrophobicContact CG-CE2 4.1Å; D182-F216 HydrophobicContact CB-CE2 3.88Å; D182-F216 HydrophobicContact CB-CZ 3.88Å; V185-F216 HydrophobicContact CG1-CE1 4.2Å; F186-F216 HydrophobicContact CB-CE1 4.17Å; F186-F216 HydrophobicContact CB-CZ 4.3Å; N212-F216 VanDerWaalsContact O-CB 3.28Å; N212-F216 WeakPolarHBondContact O-CB 3.48Å; N212-F216 PolarHBondContact O-N 3Å; L213-F216 WeakPolarHBondContact O-CB 3.41Å; L213-F216 PolarHBondContact O-N 3.48Å; V214-F216 VanDerWaalsContact C-N 3.33Å; V214-F216 PolarHBondContact O-N 3.07Å; F216-S218 PolarHBondContact O-N 3.04Å; F216-S219 PolarHBondContact O-N 3.01Å; F216-I220 HydrophobicContact CD1-CD1 4.4Å; F216-I220 HydrophobicContact CD2-CD1 4.03Å; F216-I220 HydrophobicContact CE1-CD1 3.84Å; F216-I220 HydrophobicContact CE2-CD1 3.49Å; F216-I220 VanDerWaalsContact CE2-CD1 3.49Å; F216-I220 HydrophobicContact CE2-CG1 4.44Å; F216-I220 HydrophobicContact CG-CD1 4.48Å; F216-I220 HydrophobicContact CZ-CD1 3.36Å; F216-I220 WeakPolarHBondContact O-CG1 3.41Å; F216-I220 PolarHBondContact O-N 3.47Å; F216-I220 VanDerWaalsContact O-N 3.07Å
217V90.9Very high86.2Confident0 Ų056.9 Ų56.90%030%0.303CS..Hα-helixtrans-63-45.8179.4175.10000110.9F186 L189 A190 I193 Y194 L213 V214 Q215 S219 I220 I221F186-V217 HydrophobicContact CD2-CB 4.41Å; F186-V217 HydrophobicContact CD2-CG1 3.92Å; F186-V217 HydrophobicContact CD2-CG2 4.38Å; F186-V217 HydrophobicContact CE2-CG1 3.82Å; L189-V217 HydrophobicContact CB-CG2 3.93Å; L189-V217 HydrophobicContact CD1-CG2 4.45Å; A190-V217 HydrophobicContact CB-CG1 3.71Å; I193-V217 HydrophobicContact CD1-CB 4.3Å; I193-V217 HydrophobicContact CD1-CG2 3.92Å; Y194-V217 HydrophobicContact CD2-CG1 4.27Å; Y194-V217 HydrophobicContact CE2-CG1 3.68Å; L213-V217 WeakPolarHBondContact O-CG2 3.18Å; L213-V217 PolarHBondContact O-N 3.47Å; V214-V217 PolarHBondContact O-N 2.73Å; Q215-V217 PolarHBondContact O-N 2.96Å; V217-S219 VanDerWaalsContact C-N 3.31Å; V217-S219 PolarHBondContact O-N 3.36Å; V217-I220 PolarHBondContact O-N 3.38Å; V217-I221 HydrophobicContact CG1-CD1 4.1Å; V217-I221 WeakPolarHBondContact O-CG1 3.28Å; V217-I221 PolarHBondContact O-N 2.87Å; V217-I221 VanDerWaalsContact O-N 3.15Å
218S90.5Very high85Confident36 Ų3654 Ų5425%0.25230%0.301SS..Hα-helixtrans-62.5-38.2179-177.70000112.2V214 Q215 F216 I221 N222V214-S218 WeakPolarHBondContact O-CB 3.38Å; V214-S218 PolarHBondContact O-N 3.24Å; Q215-S218 PolarHBondContact O-N 2.91Å; F216-S218 PolarHBondContact O-N 3.04Å; S218-I221 PolarHBondContact O-N 3.24Å; S218-N222 WeakPolarHBondContact O-CB 3.48Å; S218-N222 VanDerWaalsContact O-CG 3.25Å; S218-N222 PolarHBondContact O-N 2.89Å; S218-N222 PolarHBondContact O-ND2 3.28Å
219S89.9Confident83.5Confident45 Ų4557.8 Ų57.832%0.31531%0.31SS..Hα-helixtrans-64.6-42.2177.4-59.40000111.2Q215 F216 V217 I221 N222 I223Q215-S219 VanDerWaalsContact O-CB 3.29Å; Q215-S219 WeakPolarHBondContact O-CB 3.33Å; Q215-S219 PolarHBondContact O-N 3.36Å; Q215-S219 PolarHBondContact O-OG 2.85Å; F216-S219 PolarHBondContact O-N 3.01Å; V217-S219 VanDerWaalsContact C-N 3.31Å; V217-S219 PolarHBondContact O-N 3.36Å; S219-I221 PolarHBondContact O-N 3.24Å; S219-N222 PolarHBondContact O-N 3Å; S219-I223 VanDerWaalsContact O-CB 3.25Å; S219-I223 WeakPolarHBondContact O-CB 3.42Å; S219-I223 WeakPolarHBondContact O-CD1 3.35Å; S219-I223 WeakPolarHBondContact O-CG1 3.46Å; S219-I223 PolarHBondContact O-N 3.39Å
220I90.2Very high82Confident0 Ų058 Ų580%032%0.315CS..Hα-helixtrans-61.3-45.8176.8-71.3171.9000111.4F31 F175 F186 F216 V217 Y224 M225F31-I220 HydrophobicContact CZ-CD1 4.13Å; F31-I220 HydrophobicContact CZ-CG1 4.28Å; F31-I220 HydrophobicContact CZ-CG2 4.48Å; F175-I220 HydrophobicContact CD2-CD1 4.28Å; F175-I220 HydrophobicContact CD2-CG1 4.28Å; F175-I220 HydrophobicContact CE1-CG1 4.49Å; F175-I220 HydrophobicContact CE2-CD1 3.56Å; F175-I220 HydrophobicContact CE2-CG1 3.25Å; F175-I220 HydrophobicContact CZ-CD1 4.2Å; F175-I220 HydrophobicContact CZ-CG1 3.36Å; F186-I220 HydrophobicContact CB-CD1 3.65Å; F186-I220 HydrophobicContact CD1-CG2 4.04Å; F186-I220 HydrophobicContact CD2-CB 3.81Å; F186-I220 HydrophobicContact CD2-CD1 3.83Å; F186-I220 HydrophobicContact CD2-CG1 4.42Å; F186-I220 HydrophobicContact CD2-CG2 3.65Å; F186-I220 HydrophobicContact CE1-CG2 4.04Å; F186-I220 HydrophobicContact CE2-CB 3.96Å; F186-I220 HydrophobicContact CE2-CG2 3.65Å; F186-I220 HydrophobicContact CG-CB 4.37Å; F186-I220 HydrophobicContact CG-CD1 3.86Å; F186-I220 HydrophobicContact CG-CG2 3.85Å; F186-I220 HydrophobicContact CZ-CG2 3.85Å; F216-I220 HydrophobicContact CD1-CD1 4.4Å; F216-I220 HydrophobicContact CD2-CD1 4.03Å; F216-I220 HydrophobicContact CE1-CD1 3.84Å; F216-I220 HydrophobicContact CE2-CD1 3.49Å; F216-I220 VanDerWaalsContact CE2-CD1 3.49Å; F216-I220 HydrophobicContact CE2-CG1 4.44Å; F216-I220 HydrophobicContact CG-CD1 4.48Å; F216-I220 HydrophobicContact CZ-CD1 3.36Å; F216-I220 WeakPolarHBondContact O-CG1 3.41Å; F216-I220 PolarHBondContact O-N 3.47Å; F216-I220 VanDerWaalsContact O-N 3.07Å; V217-I220 PolarHBondContact O-N 3.38Å; I220-Y224 WeakPolarHBondContact O-CB 3.37Å; I220-Y224 PolarHBondContact O-N 3.1Å; I220-M225 HydrophobicContact CG2-CE 3.98Å
221I90Very high80.6Confident7 Ų761.1 Ų61.14%0.03633%0.329CS..Hα-helixtrans-60.3-52.3179.4-65.7168.8000109.3L15 F186 Y194 V217 S218 S219 I223 M225L15-I221 HydrophobicContact CD2-CD1 3.98Å; F186-I221 HydrophobicContact CE2-CD1 4.23Å; F186-I221 HydrophobicContact CE2-CG1 3.7Å; F186-I221 HydrophobicContact CZ-CG1 3.9Å; Y194-I221 HydrophobicContact CD2-CD1 4.34Å; Y194-I221 HydrophobicContact CE1-CD1 4.46Å; Y194-I221 HydrophobicContact CE2-CD1 3.74Å; V217-I221 HydrophobicContact CG1-CD1 4.1Å; V217-I221 WeakPolarHBondContact O-CG1 3.28Å; V217-I221 PolarHBondContact O-N 2.87Å; V217-I221 VanDerWaalsContact O-N 3.15Å; S218-I221 PolarHBondContact O-N 3.24Å; S219-I221 PolarHBondContact O-N 3.24Å; I221-I223 PolarHBondContact O-N 3.05Å; I221-M225 CarbonylContact O-C 2.92Å; I221-M225 VanDerWaalsContact O-CA 3.27Å; I221-M225 WeakPolarHBondContact O-CA 3.44Å; I221-M225 PolarHBondContact O-N 3.22Å; I221-M225 VanDerWaalsContact O-O 3.08Å
222N88Confident78.9Confident109 Ų10963.2 Ų63.258%0.58333%0.333SS*.Hα-helixtrans-67.4-39.5-174.6-67.2-12000113.1S218 S219S218-N222 WeakPolarHBondContact O-CB 3.48Å; S218-N222 VanDerWaalsContact O-CG 3.25Å; S218-N222 PolarHBondContact O-N 2.89Å; S218-N222 PolarHBondContact O-ND2 3.28Å; S219-N222 PolarHBondContact O-N 3Å
223I87.3Confident77Confident105 Ų10566.3 Ų66.354%0.53834%0.337SS..Hα-helixtrans-79.7-44.7-175.6-63.6167.6000111.3F175 S219 I221F175-I223 HydrophobicContact CE1-CD1 4.43Å; S219-I223 VanDerWaalsContact O-CB 3.25Å; S219-I223 WeakPolarHBondContact O-CB 3.42Å; S219-I223 WeakPolarHBondContact O-CD1 3.35Å; S219-I223 WeakPolarHBondContact O-CG1 3.46Å; S219-I223 PolarHBondContact O-N 3.39Å; I221-I223 PolarHBondContact O-N 3.05Å
224Y84.3Confident75.3Confident58 Ų5869.7 Ų69.723%0.22736%0.361CS..Hα-helixtrans-106.9-20.3-167.7-65.3-80.1000114.1K30 F31 F175 I220 P226K30-Y224 HydrophobicContact CB-CD1 3.92Å; K30-Y224 HydrophobicContact CB-CG 4.3Å; K30-Y224 WeakPolarHBondContact CD-O 3.41Å; K30-Y224 VanDerWaalsContact CE-O 3.26Å; K30-Y224 WeakPolarHBondContact CE-O 3.39Å; F31-Y224 HydrophobicContact CD1-CD1 4.11Å; F31-Y224 HydrophobicContact CD1-CD2 4.33Å; F31-Y224 AromaticContact CD1-CE1 3.92Å; F31-Y224 HydrophobicContact CD1-CE1 3.92Å; F31-Y224 HydrophobicContact CD1-CE2 4.17Å; F31-Y224 HydrophobicContact CD1-CG 4.29Å; F31-Y224 AromaticContact CD1-CZ 3.94Å; F31-Y224 HydrophobicContact CE1-CD1 4.24Å; F31-Y224 AromaticContact CE1-CD2 3.66Å; F31-Y224 HydrophobicContact CE1-CD2 3.66Å; F31-Y224 HydrophobicContact CE1-CE1 4.19Å; F31-Y224 AromaticContact CE1-CE2 3.62Å; F31-Y224 HydrophobicContact CE1-CE2 3.62Å; F31-Y224 AromaticContact CE1-CG 3.97Å; F31-Y224 HydrophobicContact CE1-CG 3.97Å; F31-Y224 AromaticContact CE1-CZ 3.88Å; F175-Y224 HydrophobicContact CE1-CE2 4.5Å; F175-Y224 HydrophobicContact CZ-CD2 4.46Å; F175-Y224 AromaticContact CZ-CE2 3.8Å; F175-Y224 HydrophobicContact CZ-CE2 3.8Å; I220-Y224 WeakPolarHBondContact O-CB 3.37Å; I220-Y224 PolarHBondContact O-N 3.1Å; Y224-P226 VanDerWaalsContact C-CD 3.48Å
225M84.2Confident73.5Confident9 Ų970.9 Ų70.94%0.04436%0.362CS..  trans-137.353.9-175.5-58.3-176.9-129.300111.6P16 M26 A27 F186 I220 I221 L227P16-M225 HydrophobicContact CB-CB 4.34Å; P16-M225 HydrophobicContact CB-SD 4.3Å; P16-M225 HydrophobicContact CG-CB 4.06Å; P16-M225 HydrophobicContact CG-CG 4.45Å; P16-M225 HydrophobicContact CG-SD 3.56Å; P16-M225 VanDerWaalsContact CG-SD 3.56Å; M26-M225 HydrophobicContact CB-CE 4.14Å; M26-M225 HydrophobicContact CB-SD 3.79Å; M26-M225 HydrophobicContact CE-SD 3.82Å; A27-M225 VanDerWaalsContact CA-CE 3.43Å; A27-M225 HydrophobicContact CB-CE 3.6Å; F186-M225 HydrophobicContact CD1-CE 4.29Å; F186-M225 HydrophobicContact CE1-CE 3.48Å; F186-M225 VanDerWaalsContact CE1-CE 3.48Å; F186-M225 HydrophobicContact CE1-SD 4.38Å; F186-M225 HydrophobicContact CZ-CE 3.91Å; I220-M225 HydrophobicContact CG2-CE 3.98Å; I221-M225 CarbonylContact O-C 2.92Å; I221-M225 VanDerWaalsContact O-CA 3.27Å; I221-M225 WeakPolarHBondContact O-CA 3.44Å; I221-M225 PolarHBondContact O-N 3.22Å; I221-M225 VanDerWaalsContact O-O 3.08Å; M225-L227 PolarHBondContact O-N 2.9Å; M225-L227 VanDerWaalsContact O-N 3.11Å
226P74.4Confident71.5Confident96 Ų9672.3 Ų72.362%0.62337%0.368SS*.PPolyproline II helixtrans-57.6122.7176.325.4-33.1000108.7Y224Y224-P226 VanDerWaalsContact C-CD 3.48Å
227L67.9Low69.3Low29 Ų2981.6 Ų81.615%0.15240%0.403CS..PPolyproline II helixtrans-71.9139.9173.8-68.4162.3000107.8P16 M225P16-L227 HydrophobicContact CB-CD2 4.26Å; M225-L227 PolarHBondContact O-N 2.9Å; M225-L227 VanDerWaalsContact O-N 3.11Å
228P63.5Low67Low67 Ų6788.3 Ų88.344%0.43544%0.435SS..PPolyproline II helixtrans-59.6139.3177.821.8-28.9000111.1D230 E231 R235P228-D230 PolarHBondContact O-N 3.08Å; P228-D230 VanDerWaalsContact O-N 3.12Å; P228-E231 HydrophobicContact CG-CG 4.24Å; P228-E231 PolarHBondContact O-N 3.14Å; P228-R235 PolarHBondContact O-NH2 2.8Å
229E54.8Low64.5Low157 Ų15789.9 Ų89.973%0.73446%0.456SS*.Hα-helixtrans-55.1-30.9-173.8-64.5178.7178.600112.6E231 E232 Y233E229-E231 VanDerWaalsContact C-N 3.29Å; E229-E231 PolarHBondContact O-N 3.4Å; E229-E232 WeakPolarHBondContact O-CA 3.34Å; E229-E232 WeakPolarHBondContact O-CB 3.45Å; E229-E232 PolarHBondContact O-N 3.11Å; E229-Y233 PolarHBondContact O-N 3.27Å; E229-Y233 VanDerWaalsContact O-N 3.15Å
230D53.9Low62Low124 Ų12492.5 Ų92.566%0.66348%0.475SS*.Hα-helixtrans-63.6-32.6178.9-4.7-42.8000112.7P228 E232 S234P228-D230 PolarHBondContact O-N 3.08Å; P228-D230 VanDerWaalsContact O-N 3.12Å; D230-E232 VanDerWaalsContact C-N 3.32Å; D230-S234 PolarHBondContact O-N 2.96Å; D230-S234 PolarHBondContact O-OG 2.89Å; D230-S234 VanDerWaalsContact O-OG 3.09Å
231E55.2Low59.2Low71 Ų7196.1 Ų96.133%0.33250%0.5SS..Hα-helixtrans-71.8-30.7170.8-70.7-172.6173.400110.5S11 P228 E229 S234 R235S11-E231 PolarHBondContact OG-OE1 3.41Å; P228-E231 HydrophobicContact CG-CG 4.24Å; P228-E231 PolarHBondContact O-N 3.14Å; E229-E231 VanDerWaalsContact C-N 3.29Å; E229-E231 PolarHBondContact O-N 3.4Å; E231-S234 PolarHBondContact O-N 3.19Å; E231-R235 WeakPolarHBondContact O-CB 3.28Å; E231-R235 WeakPolarHBondContact O-CG 3.27Å; E231-R235 PolarHBondContact O-N 2.91Å; E231-R235 VanDerWaalsContact O-N 3.09Å; E231-R235 PolarHBondContact O-NE 3.41Å
232E50Low56.6Low106 Ų106101 Ų10150%0.49553%0.534SS..Hα-helixtrans-70-35.5-177.9-145.4142.9-121.300112.6E229 D230 R235E229-E232 WeakPolarHBondContact O-CA 3.34Å; E229-E232 WeakPolarHBondContact O-CB 3.45Å; E229-E232 PolarHBondContact O-N 3.11Å; D230-E232 VanDerWaalsContact C-N 3.32Å; E232-R235 VanDerWaalsContact CA-NE 3.29Å; E232-R235 VanDerWaalsContact N-NH2 3.19Å; E232-R235 VanDerWaalsContact O-CB 3.31Å; E232-R235 WeakPolarHBondContact O-CB 3.33Å; E232-R235 PolarHBondContact O-N 2.81Å; E232-R235 IonicContact OE1-CZ 2.72Å; E232-R235 IonicContact OE1-NH1 3.37Å; E232-R235 PolarHBondContact OE1-NH1 3.04Å; E232-R235 IonicContact OE1-NH2 3.61Å
233Y47.2Very low53.8Low195 Ų195100.3 Ų100.377%0.76554%0.538SS*.Hα-helixtrans-74.6-32.9175.2-142.4-89.5000112.8E229 R235E229-Y233 PolarHBondContact O-N 3.27Å; E229-Y233 VanDerWaalsContact O-N 3.15Å; Y233-R235 PolarHBondContact O-N 3.46Å
234S51.8Low51.3Low75 Ų75101 Ų10152%0.52455%0.547SS..Hα-helixtrans-70.9-22.3173.1-56.40000112.1D230 E231D230-S234 PolarHBondContact O-N 2.96Å; D230-S234 PolarHBondContact O-OG 2.89Å; D230-S234 VanDerWaalsContact O-OG 3.09Å; E231-S234 PolarHBondContact O-N 3.19Å
235R50.8Low48.6Very low59 Ų59101.9 Ų101.922%0.22356%0.562CS.*Hα-helixtrans-73-31.9-175.9-85.5174.6-105.6157.80.9114.5L14 P228 E231 E232 Y233L14-R235 HydrophobicContact CD2-CG 4.38Å; P228-R235 PolarHBondContact O-NH2 2.8Å; E231-R235 WeakPolarHBondContact O-CB 3.28Å; E231-R235 WeakPolarHBondContact O-CG 3.27Å; E231-R235 PolarHBondContact O-N 2.91Å; E231-R235 VanDerWaalsContact O-N 3.09Å; E231-R235 PolarHBondContact O-NE 3.41Å; E232-R235 VanDerWaalsContact CA-NE 3.29Å; E232-R235 VanDerWaalsContact N-NH2 3.19Å; E232-R235 VanDerWaalsContact O-CB 3.31Å; E232-R235 WeakPolarHBondContact O-CB 3.33Å; E232-R235 PolarHBondContact O-N 2.81Å; E232-R235 IonicContact OE1-CZ 2.72Å; E232-R235 IonicContact OE1-NH1 3.37Å; E232-R235 PolarHBondContact OE1-NH1 3.04Å; E232-R235 IonicContact OE1-NH2 3.61Å; Y233-R235 PolarHBondContact O-N 3.46Å
236E47.5Very low46.3Very low160 Ų160106.8 Ų106.875%0.74859%0.594SS**Hα-helixtrans-73.3-31177.3-77.4-175.1157.400112.9
237R42.5Very low44.9Very low205 Ų205105.9 Ų105.977%0.77459%0.587SS**Hα-helixtrans-74.2-32.3-178.2-105.4179176.9166.50.1114S240 S241R237-S240 PolarHBondContact O-OG 3.41Å; R237-S241 PolarHBondContact O-OG 2.81Å
238Q42.7Very low43.7Very low142 Ų142108.7 Ų108.766%0.66462%0.615SS**Hα-helixtrans-77.8-24.2-178.9-73.9-175-8.800113.2S240Q238-S240 VanDerWaalsContact C-N 3.28Å; Q238-S240 PolarHBondContact O-N 3.23Å
239G38.8Very low43.3Very low68 Ų68112 Ų11270%0.70162%0.619SS**THydrogen-bonded Turntrans-68.8-21.4175.800000114.5
240S37.4Very low43.9Very low101 Ų101107.5 Ų107.571%0.70660%0.604SS**THydrogen-bonded Turntrans-100.2-8.9-177.355.60000115.2R237 Q238R237-S240 PolarHBondContact O-OG 3.41Å; Q238-S240 VanDerWaalsContact C-N 3.28Å; Q238-S240 PolarHBondContact O-N 3.23Å
241S32.3Very low45Very low76 Ų76107.9 Ų107.953%0.53161%0.605SS.*  trans-135.862.8-175.1670000112.4R237 S243R237-S241 PolarHBondContact O-OG 2.81Å; S241-S243 PolarHBondContact O-N 3.21Å; S241-S243 VanDerWaalsContact O-N 3.16Å
242S34.1Very low46Very low108 Ų108111 Ų11176%0.75561%0.614SS**  trans-82.250.5161.6-41.60000110.7V244S242-V244 PolarHBondContact O-N 3.26Å
243S29.2Very low47.1Very low95 Ų95107 Ų10766%0.66460%0.595SS**  trans-72.4111.615956.60000106.2S241 S245S241-S243 PolarHBondContact O-N 3.21Å; S241-S243 VanDerWaalsContact O-N 3.16Å; S243-S245 PolarHBondContact O-N 3Å
244V35.4Very low48.5Very low120 Ų120103.3 Ų103.373%0.72758%0.583SS**  trans-58.589.5172.3178.20000108S242S242-V244 PolarHBondContact O-N 3.26Å
245S27.8Very low50.2Low77 Ų77104.2 Ų104.254%0.53858%0.581SS.*  trans-77.2133.7160.849.20000106.9S243 T247S243-S245 PolarHBondContact O-N 3Å; S245-T247 PolarHBondContact O-N 3.4Å
246P35.4Very low51.7Low111 Ų111104.7 Ų104.772%0.72159%0.591SS**  trans-64.9106.3172.326.9-28.8000105.8A248P246-A248 PolarHBondContact O-N 3.22Å
247T44.1Very low53.6Low77 Ų77104.7 Ų104.747%0.47259%0.588SS.*  trans-54.4116.917644.40000107.4S245 Y249S245-T247 PolarHBondContact O-N 3.4Å; T247-Y249 PolarHBondContact O-N 3.45Å
248A44.4Very low55.9Low89 Ų8996.9 Ų96.974%0.73657%0.572SS**  trans-59.8107.8179.900000108.5P246P246-A248 PolarHBondContact O-N 3.22Å
249Y53.4Low58.3Low136 Ų13695 Ų9553%0.53357%0.565SS.*  trans-53.8134.5175.6-43.1-80.6000109.2I130 T247 L251I130-Y249 HydrophobicContact CD1-CD1 4.29Å; T247-Y249 PolarHBondContact O-N 3.45Å; Y249-L251 PolarHBondContact O-N 2.87Å
250P68.7Low60.8Low63 Ų6395.2 Ų95.241%0.40955%0.553SS.*  trans-59.1141-179.525.7-33.8000109.9W252 E253P250-W252 PolarHBondContact O-N 3.42Å; P250-E253 HydrophobicContact CG-CG 4Å; P250-E253 PolarHBondContact O-N 3.38Å
251L76.6Confident63.4Low131 Ų13192.6 Ų92.669%0.68654%0.538SS*.Hα-helixtrans-50.4-36.8-169.5-171.677.2000113.2Y249 E253 K254 I255Y249-L251 PolarHBondContact O-N 2.87Å; L251-E253 VanDerWaalsContact C-N 3.31Å; L251-E253 PolarHBondContact O-N 2.91Å; L251-K254 PolarHBondContact O-N 3.49Å; L251-I255 HydrophobicContact CD2-CD1 4.3Å; L251-I255 HydrophobicContact CG-CD1 4.1Å; L251-I255 WeakPolarHBondContact O-CG1 3.3Å; L251-I255 PolarHBondContact O-N 3.36Å
252W75.5Confident66.4Low137 Ų13791.6 Ų91.652%0.51953%0.534SS..Hα-helixtrans-62.9-34.4-179.775.6-92.7000112.8P250 I255 V256P250-W252 PolarHBondContact O-N 3.42Å; W252-I255 PolarHBondContact O-N 3.2Å; W252-V256 HydrophobicContact CE3-CG2 4.01Å; W252-V256 HydrophobicContact CZ3-CG2 4.33Å; W252-V256 VanDerWaalsContact O-CG2 3.28Å; W252-V256 WeakPolarHBondContact O-CG2 3.25Å; W252-V256 PolarHBondContact O-N 3.04Å
253E72.8Confident69.2Low23 Ų2390.4 Ų90.411%0.10752%0.522CS..Hα-helixtrans-71.7-34.8177.5-69-174.6160.400111.4G129 I130 P250 L251 I255 V256 F257G129-E253 WeakPolarHBondContact CA-OE1 3.47Å; I130-E253 WeakPolarHBondContact CD1-OE2 3.32Å; I130-E253 WeakPolarHBondContact CG1-OE2 3.2Å; I130-E253 PolarHBondContact N-OE1 3.48Å; P250-E253 HydrophobicContact CG-CG 4Å; P250-E253 PolarHBondContact O-N 3.38Å; L251-E253 VanDerWaalsContact C-N 3.31Å; L251-E253 PolarHBondContact O-N 2.91Å; E253-I255 VanDerWaalsContact C-N 3.34Å; E253-V256 PolarHBondContact O-N 2.91Å; E253-F257 WeakPolarHBondContact O-CB 3.31Å; E253-F257 PolarHBondContact O-N 3.05Å
254K78.3Confident72.2Confident117 Ų11791.3 Ų91.351%0.50952%0.519SS..Hα-helixtrans-64.2-41.2172.4-62.9-176.3-178.3-178.40111.4L251 F257 G258L251-K254 PolarHBondContact O-N 3.49Å; K254-F257 PolarHBondContact O-N 3.46Å; K254-G258 PolarHBondContact O-N 3.06Å
255I85.4Confident74.8Confident93 Ų9389.2 Ų89.248%0.47751%0.509SS..Hα-helixtrans-63.5-48.2176.2-66.5166.6000110.1L251 W252 E253 F257 G258 I259L251-I255 HydrophobicContact CD2-CD1 4.3Å; L251-I255 HydrophobicContact CG-CD1 4.1Å; L251-I255 WeakPolarHBondContact O-CG1 3.3Å; L251-I255 PolarHBondContact O-N 3.36Å; W252-I255 PolarHBondContact O-N 3.2Å; E253-I255 VanDerWaalsContact C-N 3.34Å; I255-F257 PolarHBondContact O-N 2.9Å; I255-G258 PolarHBondContact O-N 2.89Å; I255-I259 HydrophobicContact CG2-CD1 3.79Å; I255-I259 HydrophobicContact CG2-CG1 4.44Å; I255-I259 WeakPolarHBondContact O-CG1 3.31Å; I255-I259 PolarHBondContact O-N 3.23Å
256V84.2Confident77.8Confident70 Ų7089.3 Ų89.342%0.42451%0.507SS..Hα-helixtrans-61.1-45.4178.4170.70000111W252 E253 G258 I259 V260W252-V256 HydrophobicContact CE3-CG2 4.01Å; W252-V256 HydrophobicContact CZ3-CG2 4.33Å; W252-V256 VanDerWaalsContact O-CG2 3.28Å; W252-V256 WeakPolarHBondContact O-CG2 3.25Å; W252-V256 PolarHBondContact O-N 3.04Å; E253-V256 PolarHBondContact O-N 2.91Å; V256-G258 VanDerWaalsContact C-N 3.32Å; V256-G258 PolarHBondContact O-N 2.89Å; V256-I259 PolarHBondContact O-N 3.43Å; V256-V260 HydrophobicContact CG1-CG2 4.28Å; V256-V260 WeakPolarHBondContact O-CB 3.41Å; V256-V260 VanDerWaalsContact O-CG2 3.31Å; V256-V260 WeakPolarHBondContact O-CG2 3.4Å; V256-V260 PolarHBondContact O-N 3.5Å
257F86.3Confident80.4Confident159 Ų15986.8 Ų86.870%0.69750%0.495SS*.Hα-helixtrans-61.9-41.5177.3-160.3-86.2000111.5E253 K254 I255 V260 A261E253-F257 WeakPolarHBondContact O-CB 3.31Å; E253-F257 PolarHBondContact O-N 3.05Å; K254-F257 PolarHBondContact O-N 3.46Å; I255-F257 PolarHBondContact O-N 2.9Å; F257-V260 PolarHBondContact O-N 3.26Å; F257-A261 VanDerWaalsContact O-CB 3.25Å; F257-A261 WeakPolarHBondContact O-CB 3.31Å; F257-A261 PolarHBondContact O-N 3.44Å
258G90.3Very high82.7Confident42 Ų4290.2 Ų90.243%0.43350%0.504SS..Hα-helixtrans-60.5-44.8174.400000112.8K254 I255 V256 A262K254-G258 PolarHBondContact O-N 3.06Å; I255-G258 PolarHBondContact O-N 2.89Å; V256-G258 VanDerWaalsContact C-N 3.32Å; V256-G258 PolarHBondContact O-N 2.89Å; G258-A262 VanDerWaalsContact O-CB 3.31Å; G258-A262 WeakPolarHBondContact O-CB 3.5Å; G258-A262 PolarHBondContact O-N 2.98Å
259I93.1Very high84.8Confident101 Ų10187 Ų8752%0.51848%0.477SS..Hα-helixtrans-63.7-48.4177.1-67.6167.7000110.6I255 V256 A261 A262 T263I255-I259 HydrophobicContact CG2-CD1 3.79Å; I255-I259 HydrophobicContact CG2-CG1 4.44Å; I255-I259 WeakPolarHBondContact O-CG1 3.31Å; I255-I259 PolarHBondContact O-N 3.23Å; V256-I259 PolarHBondContact O-N 3.43Å; I259-A261 PolarHBondContact O-N 2.98Å; I259-A262 PolarHBondContact O-N 3.22Å; I259-T263 HydrophobicContact CG2-CG2 4.43Å; I259-T263 WeakPolarHBondContact O-CG2 3.29Å; I259-T263 PolarHBondContact O-N 2.91Å; I259-T263 PolarHBondContact O-OG1 3.34Å
260V92.3Very high86.5Confident73 Ų7385.5 Ų85.544%0.44248%0.477SS..Hα-helixtrans-64.1-40.8-179172.80000111.6V256 F257 T263 L264V256-V260 HydrophobicContact CG1-CG2 4.28Å; V256-V260 WeakPolarHBondContact O-CB 3.41Å; V256-V260 VanDerWaalsContact O-CG2 3.31Å; V256-V260 WeakPolarHBondContact O-CG2 3.4Å; V256-V260 PolarHBondContact O-N 3.5Å; F257-V260 PolarHBondContact O-N 3.26Å; V260-T263 WeakPolarHBondContact CA-OG1 3.4Å; V260-T263 PolarHBondContact O-N 3.47Å; V260-T263 PolarHBondContact O-OG1 3Å; V260-L264 HydrophobicContact CG1-CD1 3.96Å; V260-L264 WeakPolarHBondContact O-CB 3.32Å; V260-L264 WeakPolarHBondContact O-CG 3.38Å; V260-L264 PolarHBondContact O-N 3.49Å
261A92.7Very high87.3Confident47 Ų4785.8 Ų85.839%0.38849%0.492SS..Hα-helixtrans-65.3-42.4176.300000111.5F257 I259 S265F257-A261 VanDerWaalsContact O-CB 3.25Å; F257-A261 WeakPolarHBondContact O-CB 3.31Å; F257-A261 PolarHBondContact O-N 3.44Å; I259-A261 PolarHBondContact O-N 2.98Å; A261-S265 VanDerWaalsContact O-CB 3.29Å; A261-S265 WeakPolarHBondContact O-CB 3.48Å; A261-S265 PolarHBondContact O-N 3.43Å
262A93.5Very high87.7Confident55 Ų5583 Ų8346%0.45548%0.483SS..Hα-helixtrans-63.7-44.2176.600000111.9G258 I259 S265 V266G258-A262 VanDerWaalsContact O-CB 3.31Å; G258-A262 WeakPolarHBondContact O-CB 3.5Å; G258-A262 PolarHBondContact O-N 2.98Å; I259-A262 PolarHBondContact O-N 3.22Å; A262-S265 PolarHBondContact O-N 2.88Å; A262-V266 VanDerWaalsContact O-CG2 3.32Å; A262-V266 WeakPolarHBondContact O-CG2 3.32Å; A262-V266 PolarHBondContact O-N 2.93Å
263T92.8Very high87.9Confident82 Ų8278.9 Ų78.950%0.50348%0.483SS..Hα-helixtrans-66-41.9178.554.90000112.2I259 V260 V266 A267I259-T263 HydrophobicContact CG2-CG2 4.43Å; I259-T263 WeakPolarHBondContact O-CG2 3.29Å; I259-T263 PolarHBondContact O-N 2.91Å; I259-T263 PolarHBondContact O-OG1 3.34Å; V260-T263 WeakPolarHBondContact CA-OG1 3.4Å; V260-T263 PolarHBondContact O-N 3.47Å; V260-T263 PolarHBondContact O-OG1 3Å; T263-V266 PolarHBondContact O-N 2.92Å; T263-A267 WeakPolarHBondContact O-CB 3.43Å; T263-A267 PolarHBondContact O-N 3.29Å
264L92.9Very high88.2Confident114 Ų11483.3 Ų83.360%0.59751%0.511SS*.Hα-helixtrans-63.8-41174.5-76.9170.5000111.9V260 A267 F268V260-L264 HydrophobicContact CG1-CD1 3.96Å; V260-L264 WeakPolarHBondContact O-CB 3.32Å; V260-L264 WeakPolarHBondContact O-CG 3.38Å; V260-L264 PolarHBondContact O-N 3.49Å; L264-A267 PolarHBondContact O-N 2.9Å; L264-F268 VanDerWaalsContact O-CB 3.26Å; L264-F268 WeakPolarHBondContact O-CB 3.26Å; L264-F268 PolarHBondContact O-N 2.85Å
265S90.5Very high87.7Confident76 Ų7682.5 Ų82.553%0.53151%0.511SS..Hα-helixtrans-65.1-41.7177.6-173.70000112.1A261 A262 F268 A269A261-S265 VanDerWaalsContact O-CB 3.29Å; A261-S265 WeakPolarHBondContact O-CB 3.48Å; A261-S265 PolarHBondContact O-N 3.43Å; A262-S265 PolarHBondContact O-N 2.88Å; S265-F268 PolarHBondContact O-N 3.19Å; S265-A269 VanDerWaalsContact O-CB 3.32Å; S265-A269 WeakPolarHBondContact O-CB 3.32Å; S265-A269 PolarHBondContact O-N 3.44Å
266V90.6Very high86.7Confident80 Ų8086.6 Ų86.649%0.48553%0.528SS..Hα-helixtrans-65.8-45.8175.8171.10000110.3A262 T263 F268 A269 I270A262-V266 VanDerWaalsContact O-CG2 3.32Å; A262-V266 WeakPolarHBondContact O-CG2 3.32Å; A262-V266 PolarHBondContact O-N 2.93Å; T263-V266 PolarHBondContact O-N 2.92Å; V266-F268 VanDerWaalsContact C-N 3.3Å; V266-F268 PolarHBondContact O-N 3.42Å; V266-A269 PolarHBondContact O-N 3.24Å; V266-I270 HydrophobicContact CG1-CD1 3.82Å; V266-I270 HydrophobicContact CG1-CG1 4.46Å; V266-I270 VanDerWaalsContact O-CG1 3.28Å; V266-I270 WeakPolarHBondContact O-CG1 3.28Å; V266-I270 PolarHBondContact O-N 2.95Å
267A90.3Very high85.5Confident58 Ų5891.7 Ų91.748%0.47955%0.547SS..Hα-helixtrans-60.2-41.1176.700000112T263 L264 G271T263-A267 WeakPolarHBondContact O-CB 3.43Å; T263-A267 PolarHBondContact O-N 3.29Å; L264-A267 PolarHBondContact O-N 2.9Å; A267-G271 PolarHBondContact O-N 2.86Å
268F91.7Very high83.8Confident149 Ų14990.8 Ų90.865%0.65455%0.55SS*.Hα-helixtrans-65.7-44.4175.4-176-99.3000111.9L264 S265 V266 I270 G271 C272L264-F268 VanDerWaalsContact O-CB 3.26Å; L264-F268 WeakPolarHBondContact O-CB 3.26Å; L264-F268 PolarHBondContact O-N 2.85Å; S265-F268 PolarHBondContact O-N 3.19Å; V266-F268 VanDerWaalsContact C-N 3.3Å; V266-F268 PolarHBondContact O-N 3.42Å; F268-I270 VanDerWaalsContact C-N 3.33Å; F268-I270 PolarHBondContact O-N 3.39Å; F268-G271 PolarHBondContact O-N 3.46Å; F268-C272 WeakPolarHBondContact CZ-SG 3.33Å; F268-C272 WeakPolarHBondContact O-CB 3.44Å; F268-C272 PolarHBondContact O-N 2.94Å
269A89.8Confident82Confident20 Ų2094 Ų9417%0.16557%0.566CS.*Hα-helixtrans-62.6-38.4178.100000112.6S265 V266 G273 V274 I275S265-A269 VanDerWaalsContact O-CB 3.32Å; S265-A269 WeakPolarHBondContact O-CB 3.32Å; S265-A269 PolarHBondContact O-N 3.44Å; V266-A269 PolarHBondContact O-N 3.24Å; A269-G273 PolarHBondContact O-N 3.35Å; A269-V274 HydrophobicContact CB-CB 4.45Å; A269-V274 PolarHBondContact O-N 3.34Å; A269-I275 HydrophobicContact CB-CD1 3.9Å; A269-I275 HydrophobicContact CB-CG1 4.24Å
270I87.9Confident79.8Confident105 Ų10593.8 Ų93.854%0.53857%0.573SS.*Hα-helixtrans-65.9-47.3172.5-64.5167000110.1V266 F268 C272 G273 I275V266-I270 HydrophobicContact CG1-CD1 3.82Å; V266-I270 HydrophobicContact CG1-CG1 4.46Å; V266-I270 VanDerWaalsContact O-CG1 3.28Å; V266-I270 WeakPolarHBondContact O-CG1 3.28Å; V266-I270 PolarHBondContact O-N 2.95Å; F268-I270 VanDerWaalsContact C-N 3.33Å; F268-I270 PolarHBondContact O-N 3.39Å; I270-C272 VanDerWaalsContact C-N 3.31Å; I270-C272 PolarHBondContact O-N 3.36Å; I270-G273 PolarHBondContact O-N 2.96Å; I270-I275 HydrophobicContact CG1-CD1 4.06Å
271G86.4Confident77.6Confident70 Ų7094.5 Ų94.572%0.72259%0.587SS**Hα-helixtrans-64.1-31.7-179.500000114.2A267 F268 G273A267-G271 PolarHBondContact O-N 2.86Å; F268-G271 PolarHBondContact O-N 3.46Å; G271-G273 VanDerWaalsContact C-N 3.29Å
272C85.2Confident75.1Confident73 Ų73103.8 Ų103.849%0.49361%0.612SS.*THydrogen-bonded Turntrans-83.3-1174-70.40000113.7F268 I270 V274F268-C272 WeakPolarHBondContact CZ-SG 3.33Å; F268-C272 WeakPolarHBondContact O-CB 3.44Å; F268-C272 PolarHBondContact O-N 2.94Å; I270-C272 VanDerWaalsContact C-N 3.31Å; I270-C272 PolarHBondContact O-N 3.36Å; C272-V274 HydrophobicContact CB-CG2 3.99Å; C272-V274 PolarHBondContact O-N 3.02Å
273G80.1Confident72.8Confident50 Ų50109.3 Ų109.352%0.51563%0.632SS.*THydrogen-bonded Turntrans68.919.7-179.600000114.3A269 I270 G271 I275A269-G273 PolarHBondContact O-N 3.35Å; I270-G273 PolarHBondContact O-N 2.96Å; G271-G273 VanDerWaalsContact C-N 3.29Å; G273-I275 PolarHBondContact O-N 3.47Å
274V77.6Confident70.7Confident115 Ų115110.6 Ų110.670%0.69764%0.644SS**  trans-71.1-26.3178.3178.70000111A269 C272A269-V274 HydrophobicContact CB-CB 4.45Å; A269-V274 PolarHBondContact O-N 3.34Å; C272-V274 HydrophobicContact CB-CG2 3.99Å; C272-V274 PolarHBondContact O-N 3.02Å
275I69Low68.5Low100 Ų100113.9 Ų113.951%0.51368%0.677SS.*SBendtrans-103.495.9176-55.3170.9000107.5A269 I270 G273 E277A269-I275 HydrophobicContact CB-CD1 3.9Å; A269-I275 HydrophobicContact CB-CG1 4.24Å; I270-I275 HydrophobicContact CG1-CD1 4.06Å; G273-I275 PolarHBondContact O-N 3.47Å; I275-E277 PolarHBondContact O-N 3.48Å
276Q63.6Low67.4Low179 Ų179115.8 Ų115.884%0.83668%0.684SS**  trans-78.8116.2173.3-134.8162.5-8.200108.1N278Q276-N278 PolarHBondContact O-N 2.79Å
277E59.9Low66.2Low177 Ų177117.7 Ų117.783%0.82770%0.695SS**  trans-62.8111.2174.3-140179.6-167.600107.4I275 S279I275-E277 PolarHBondContact O-N 3.48Å; E277-S279 PolarHBondContact O-N 3.06Å
278N50.2Low64.8Low141 Ų141121 Ų12175%0.75471%0.706SS**  trans-75.473.2180-159.510.8000108.8Q276 S280Q276-N278 PolarHBondContact O-N 2.79Å; N278-S280 PolarHBondContact O-N 2.81Å; N278-S280 PolarHBondContact OD1-OG 2.9Å
279S51.8Low63.2Low110 Ų110119.4 Ų119.477%0.76971%0.71SS**  trans-75.361.8169.959.10000109.7E277E277-S279 PolarHBondContact O-N 3.06Å
280S46.2Very low61.6Low96 Ų96125.6 Ų125.667%0.67174%0.744SS**  trans-111.257.9174.8-58.60000109.4N278N278-S280 PolarHBondContact O-N 2.81Å; N278-S280 PolarHBondContact OD1-OG 2.9Å
281A47.7Very low59.8Low88 Ų88126.9 Ų126.973%0.72776%0.757SS**SBendtrans-156.463.9172.700000112
282R40.5Very low57.9Low242 Ų242131 Ų13191%0.91376%0.76SS**SBendtrans174.4138143.9-101.7169.6-146.9-179.66.5110.6
283I43.8Very low55.8Low170 Ų170135.5 Ų135.587%0.87278%0.78SS**  trans9572.7171.5-43.4159.7000114.7
284S49.4Very low53.8Low109 Ų109142.6 Ų142.676%0.76280%0.802SS**  -121.99712856.50000104.7
285S46.2Very low51.7Low184 Ų184145.1 Ų145.1100%1.28781%0.812SS**  62.80108.971.10000113

Retrieved 285 of 285 residues in 328.2 ms (Link to these results)

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