A0A087XZB2_POEFO Loading...

Interferon-induced GTP-binding protein Mx

AlphaFold DB , UniProt , Accession A0A087XZB2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 834 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
1M33.5Very low51Low256 Ų25684.3 Ų84.3100%1.26144%0.442SS*.  0129.60-68.2177.7176.100107.5
2G31.4Very low52.4Low53 Ų5379.2 Ų79.255%0.54642%0.415SS..  trans164.3-20.8-176.900000116.3
3N37.5Very low53.4Low80 Ų8073.5 Ų73.543%0.42839%0.385SS..  trans-105.73.3-166.4-69.822.1000116.4G5 M6 E7N3-G5 PolarHBondContact O-N 3.42Å; N3-M6 HydrophobicContact CB-CE 4.18Å; N3-M6 WeakPolarHBondContact O-CA 3.46Å; N3-M6 WeakPolarHBondContact O-CB 3.28Å; N3-M6 PolarHBondContact O-N 3.06Å; N3-M6 WeakPolarHBondContact OD1-CE 3.3Å; N3-E7 PolarHBondContact O-N 2.91Å; N3-E7 VanDerWaalsContact O-N 3.16Å
4R43.6Very low54.4Low211 Ų21169 Ų6980%0.79636%0.362SS*.Hα-helixtrans-53.7-50.5-177.1-88.7-175.5170.7176.8-4.2113.4M6 E7R4-M6 PolarHBondContact O-N 3.27Å; R4-E7 WeakPolarHBondContact O-CB 3.48Å; R4-E7 PolarHBondContact O-N 3.45Å; R4-E7 VanDerWaalsContact O-N 3.07Å
5G48.9Very low55.3Low22 Ų2274.4 Ų74.423%0.22738%0.376CS..Hα-helixtrans-68.4-3.4175.900000115.3N3 T741N3-G5 PolarHBondContact O-N 3.42Å; G5-T741 WeakPolarHBondContact O-CG2 3.13Å
6M51.4Low56Low18 Ų1869.8 Ų69.89%0.08935%0.353CS..Hα-helixtrans-95.9-25.9171.1-77.2-170.2-79.100112.5N3 R4 D8 T286 R290N3-M6 HydrophobicContact CB-CE 4.18Å; N3-M6 WeakPolarHBondContact O-CA 3.46Å; N3-M6 WeakPolarHBondContact O-CB 3.28Å; N3-M6 PolarHBondContact O-N 3.06Å; N3-M6 WeakPolarHBondContact OD1-CE 3.3Å; R4-M6 PolarHBondContact O-N 3.27Å; M6-D8 VanDerWaalsContact C-N 3.28Å; M6-D8 PolarHBondContact O-N 3.4Å; M6-T286 HydrophobicContact CB-CG2 3.73Å; M6-T286 HydrophobicContact CG-CG2 3.55Å; M6-T286 HydrophobicContact SD-CG2 3.72Å; M6-R290 PolarHBondContact SD-NH2 3.49Å
7E56.1Low56.6Low117 Ų11767.3 Ų67.355%0.54734%0.339SS..Hα-helixtrans-67.2-30.5175.4-69.7155.2-162.900111.7N3 R4 P11 N131N3-E7 PolarHBondContact O-N 2.91Å; N3-E7 VanDerWaalsContact O-N 3.16Å; R4-E7 WeakPolarHBondContact O-CB 3.48Å; R4-E7 PolarHBondContact O-N 3.45Å; R4-E7 VanDerWaalsContact O-N 3.07Å; E7-P11 WeakPolarHBondContact O-CD 3.34Å; E7-N131 PolarHBondContact O-ND2 2.75Å
8D61.7Low57.1Low110 Ų11067 Ų6759%0.58834%0.339SS*.SBendtrans-78.3-20.5-178.7-63.2-38.9000114.8M6 I10 P11 L12M6-D8 VanDerWaalsContact C-N 3.28Å; M6-D8 PolarHBondContact O-N 3.4Å; D8-I10 VanDerWaalsContact C-N 3.33Å; D8-I10 PolarHBondContact O-N 3.36Å; D8-P11 WeakPolarHBondContact O-CD 3.3Å; D8-L12 WeakPolarHBondContact O-CB 3.42Å; D8-L12 PolarHBondContact O-N 3.29Å
9L64.4Low57.5Low7 Ų764.3 Ų64.34%0.03733%0.328CS..Hα-helixtrans-66.9-31.7-173.9-81.9170.8000113.4V13 T286 I289 I737 T741L9-V13 PolarHBondContact O-N 3.08Å; L9-T286 HydrophobicContact CD1-CG2 3.75Å; L9-I289 HydrophobicContact CD2-CG2 4.36Å; L9-I737 HydrophobicContact CD2-CG2 3.52Å; L9-T741 HydrophobicContact CD1-CG2 4.35Å
10I64.5Low57.7Low2 Ų261.4 Ų61.41%0.0131%0.313CS..Hα-helixtrans-84-44.2-175.1-59.5172.4000111.8D8 L12 V13 N14 N131 L285 I289D8-I10 VanDerWaalsContact C-N 3.33Å; D8-I10 PolarHBondContact O-N 3.36Å; I10-L12 PolarHBondContact O-N 2.84Å; I10-L12 VanDerWaalsContact O-N 3.17Å; I10-V13 PolarHBondContact O-N 2.94Å; I10-V13 VanDerWaalsContact O-N 3.15Å; I10-N14 VanDerWaalsContact O-CG 3.31Å; I10-N14 PolarHBondContact O-N 2.77Å; I10-N131 HydrophobicContact CB-CB 3.82Å; I10-N131 HydrophobicContact CD1-CB 4.37Å; I10-N131 WeakPolarHBondContact CD1-O 3.39Å; I10-N131 HydrophobicContact CG2-CB 3.78Å; I10-L285 HydrophobicContact CD1-CD2 4.01Å; I10-L285 HydrophobicContact CD1-CG 4.47Å; I10-L285 HydrophobicContact CG1-CD2 4.47Å; I10-I289 HydrophobicContact CG1-CD1 3.96Å
11P68.3Low57.7Low51 Ų5162 Ų6233%0.33132%0.323SS..Hα-helixtrans-52-33.1164.9-28.335.8000113.2E7 D8 N14 R15 N131E7-P11 WeakPolarHBondContact O-CD 3.34Å; D8-P11 WeakPolarHBondContact O-CD 3.3Å; P11-N14 PolarHBondContact O-N 3.42Å; P11-R15 WeakPolarHBondContact O-CG 3.27Å; P11-R15 PolarHBondContact O-N 3.44Å; P11-N131 WeakPolarHBondContact CG-ND2 3.33Å
12L67Low58.7Low23 Ų2354.5 Ų54.512%0.1230%0.295CS..Hα-helixtrans-73.9-42176.4174.3135.2000113.7D8 I10 N14 R15 L16 I733 I737D8-L12 WeakPolarHBondContact O-CB 3.42Å; D8-L12 PolarHBondContact O-N 3.29Å; I10-L12 PolarHBondContact O-N 2.84Å; I10-L12 VanDerWaalsContact O-N 3.17Å; L12-N14 PolarHBondContact O-N 2.84Å; L12-R15 PolarHBondContact O-N 3.3Å; L12-R15 VanDerWaalsContact O-N 3.13Å; L12-L16 HydrophobicContact CD2-CD1 4.12Å; L12-L16 PolarHBondContact O-N 2.82Å; L12-I733 HydrophobicContact CD1-CG2 3.62Å; L12-I733 WeakPolarHBondContact CD1-O 3.45Å; L12-I733 HydrophobicContact CD2-CG2 4.5Å; L12-I733 HydrophobicContact CG-CG2 3.73Å; L12-I737 HydrophobicContact CD1-CD1 3.6Å; L12-I737 HydrophobicContact CD1-CG1 3.47Å; L12-I737 VanDerWaalsContact CD1-CG1 3.47Å; L12-I737 HydrophobicContact CD2-CD1 3.27Å; L12-I737 HydrophobicContact CD2-CG1 4Å; L12-I737 HydrophobicContact CG-CD1 4.03Å; L12-I737 HydrophobicContact CG-CG1 4.35Å
13V66.4Low59.9Low5 Ų553 Ų533%0.0328%0.275CS..Hα-helixtrans-58.3-38.4170.2169.70000110.2L9 I10 L16 Q17 L31 I289L9-V13 PolarHBondContact O-N 3.08Å; I10-V13 PolarHBondContact O-N 2.94Å; I10-V13 VanDerWaalsContact O-N 3.15Å; V13-L16 WeakPolarHBondContact O-CB 3.27Å; V13-L16 PolarHBondContact O-N 2.96Å; V13-Q17 WeakPolarHBondContact O-CG 3.42Å; V13-Q17 PolarHBondContact O-N 2.83Å; V13-L31 HydrophobicContact CG1-CB 4.44Å; V13-I289 HydrophobicContact CG2-CD1 3.89Å; V13-I289 HydrophobicContact CG2-CG1 4.12Å; V13-I289 HydrophobicContact CG2-CG2 4.07Å
14N66.4Low60.3Low11 Ų1152.7 Ų52.76%0.05929%0.29CS..Hα-helixtrans-65.6-41.8174.6-62.7-13.2000112I10 P11 L12 L16 Q17 D18 T133I10-N14 VanDerWaalsContact O-CG 3.31Å; I10-N14 PolarHBondContact O-N 2.77Å; P11-N14 PolarHBondContact O-N 3.42Å; L12-N14 PolarHBondContact O-N 2.84Å; N14-L16 VanDerWaalsContact C-N 3.28Å; N14-L16 PolarHBondContact O-N 2.87Å; N14-Q17 PolarHBondContact O-N 3.28Å; N14-D18 WeakPolarHBondContact O-CB 3.5Å; N14-D18 PolarHBondContact O-N 3.5Å; N14-T133 PolarHBondContact OD1-OG1 2.97Å
15R69.1Low60.4Low150 Ų15045.4 Ų45.457%0.56627%0.265SS*.Hα-helixtrans-60.3-35.7172.3-76.3-179.466.5-164.8-2.4112.9P11 L12 A19P11-R15 WeakPolarHBondContact O-CG 3.27Å; P11-R15 PolarHBondContact O-N 3.44Å; L12-R15 PolarHBondContact O-N 3.3Å; L12-R15 VanDerWaalsContact O-N 3.13Å; R15-A19 WeakPolarHBondContact O-CB 3.4Å; R15-A19 PolarHBondContact O-N 3.27Å
16L66.3Low60Low1 Ų149.2 Ų49.21%0.00529%0.294CS..Hα-helixtrans-67.8-48.1172.8-69.5169.2000110.9L12 V13 N14 D18 A19 F20 L31 F296 A730 I733 I734L12-L16 HydrophobicContact CD2-CD1 4.12Å; L12-L16 PolarHBondContact O-N 2.82Å; V13-L16 WeakPolarHBondContact O-CB 3.27Å; V13-L16 PolarHBondContact O-N 2.96Å; N14-L16 VanDerWaalsContact C-N 3.28Å; N14-L16 PolarHBondContact O-N 2.87Å; L16-D18 PolarHBondContact O-N 2.98Å; L16-A19 PolarHBondContact O-N 3.01Å; L16-F20 WeakPolarHBondContact O-CD2 3.43Å; L16-F20 PolarHBondContact O-N 2.91Å; L16-F20 VanDerWaalsContact O-N 3.14Å; L16-L31 HydrophobicContact CB-CD1 4.34Å; L16-L31 HydrophobicContact CB-CD2 4.41Å; L16-L31 HydrophobicContact CD1-CD2 4.34Å; L16-F296 HydrophobicContact CD1-CE1 4.48Å; L16-A730 HydrophobicContact CD2-CB 3.84Å; L16-I733 HydrophobicContact CD2-CB 3.96Å; L16-I733 HydrophobicContact CD2-CD1 4.3Å; L16-I733 HydrophobicContact CD2-CG2 3.77Å; L16-I733 HydrophobicContact CG-CG2 3.89Å; L16-I734 HydrophobicContact CD1-CD1 4.35Å; L16-I734 HydrophobicContact CD1-CG1 3.97Å; L16-I734 HydrophobicContact CD2-CD1 4.39Å; L16-I734 HydrophobicContact CD2-CG1 4.17Å
17Q65.3Low59.6Low27 Ų2749.9 Ų49.913%0.12630%0.3CS..Hα-helixtrans-53.5-39.9174.6-72.1-179.6-18.400111.5V13 N14 S21 L31V13-Q17 WeakPolarHBondContact O-CG 3.42Å; V13-Q17 PolarHBondContact O-N 2.83Å; N14-Q17 PolarHBondContact O-N 3.28Å; Q17-S21 WeakPolarHBondContact O-CB 3.5Å; Q17-S21 PolarHBondContact O-N 2.76Å; Q17-S21 PolarHBondContact O-OG 2.81Å; Q17-L31 HydrophobicContact CB-CD1 4.44Å; Q17-L31 HydrophobicContact CG-CD1 3.45Å; Q17-L31 VanDerWaalsContact CG-CD1 3.45Å
18D65.6Low59.4Low62 Ų6249.3 Ų49.333%0.33230%0.301SS..Hα-helixtrans-72.2-46.2-178.9-74.616.8000113.2N14 L16 F20 S21 S22 R123N14-D18 WeakPolarHBondContact O-CB 3.5Å; N14-D18 PolarHBondContact O-N 3.5Å; L16-D18 PolarHBondContact O-N 2.98Å; D18-F20 VanDerWaalsContact C-N 3.26Å; D18-F20 PolarHBondContact O-N 3.27Å; D18-S21 PolarHBondContact O-N 3.48Å; D18-S22 PolarHBondContact O-N 3.43Å; D18-S22 VanDerWaalsContact O-N 3.11Å; D18-R123 IonicContact OD1-CZ 2.74Å; D18-R123 IonicContact OD1-NH2 2.67Å; D18-R123 PolarHBondContact OD1-NH2 3.48Å; D18-R123 IonicContact OD2-CZ 2.62Å; D18-R123 IonicContact OD2-NH1 3.54Å; D18-R123 PolarHBondContact OD2-NH1 3.2Å; D18-R123 IonicContact OD2-NH2 2.68Å; D18-R123 PolarHBondContact OD2-NH2 3.21Å
19A65Low59.1Low16 Ų1645.3 Ų45.313%0.13228%0.28CS..Hα-helixtrans-54.2-46.6176.100000110.5R15 L16 S22R15-A19 WeakPolarHBondContact O-CB 3.4Å; R15-A19 PolarHBondContact O-N 3.27Å; L16-A19 PolarHBondContact O-N 3.01Å; A19-S22 PolarHBondContact O-OG 2.83Å
20F61.8Low58.9Low5 Ų547.3 Ų47.32%0.02229%0.29CS..Hα-helixtrans-76.8-36.1179.7-72-73.4000114.4L16 D18 S22 I23 C27 L29 L300 L727 A730L16-F20 WeakPolarHBondContact O-CD2 3.43Å; L16-F20 PolarHBondContact O-N 2.91Å; L16-F20 VanDerWaalsContact O-N 3.14Å; D18-F20 VanDerWaalsContact C-N 3.26Å; D18-F20 PolarHBondContact O-N 3.27Å; F20-S22 PolarHBondContact O-N 2.75Å; F20-S22 VanDerWaalsContact O-N 3.17Å; F20-I23 HydrophobicContact CB-CD1 4.4Å; F20-I23 HydrophobicContact CD1-CD1 3.53Å; F20-I23 HydrophobicContact CE1-CD1 4.25Å; F20-I23 HydrophobicContact CG-CD1 4.33Å; F20-I23 PolarHBondContact O-N 2.89Å; F20-I23 VanDerWaalsContact O-N 3.12Å; F20-C27 HydrophobicContact CD1-CB 4.17Å; F20-L29 HydrophobicContact CB-CD1 3.21Å; F20-L29 HydrophobicContact CD1-CD1 3.62Å; F20-L29 HydrophobicContact CD1-CD2 4.01Å; F20-L29 HydrophobicContact CD1-CG 4.4Å; F20-L29 HydrophobicContact CD2-CD1 3.43Å; F20-L29 VanDerWaalsContact CD2-CD1 3.43Å; F20-L29 HydrophobicContact CD2-CD2 3.75Å; F20-L29 HydrophobicContact CD2-CG 4.21Å; F20-L29 HydrophobicContact CE1-CD1 4.31Å; F20-L29 HydrophobicContact CE1-CD2 3.82Å; F20-L29 HydrophobicContact CE2-CD1 4.14Å; F20-L29 HydrophobicContact CE2-CD2 3.55Å; F20-L29 HydrophobicContact CE2-CG 4.48Å; F20-L29 HydrophobicContact CG-CD1 3.15Å; F20-L29 HydrophobicContact CG-CD2 4.01Å; F20-L29 HydrophobicContact CG-CG 4.2Å; F20-L29 HydrophobicContact CZ-CD2 3.59Å; F20-L300 HydrophobicContact CE2-CD1 4.37Å; F20-L300 HydrophobicContact CZ-CD1 4.08Å; F20-L300 HydrophobicContact CZ-CD2 3.9Å; F20-L727 HydrophobicContact CE1-CD2 3.99Å; F20-L727 HydrophobicContact CZ-CD2 4.2Å; F20-A730 HydrophobicContact CD2-CB 4.46Å; F20-A730 HydrophobicContact CE1-CB 4.37Å; F20-A730 HydrophobicContact CE2-CB 3.37Å; F20-A730 HydrophobicContact CZ-CB 3.31Å
21S58.5Low58.9Low76 Ų7647.5 Ų47.553%0.53129%0.292SS..Hα-helixtrans-62-22.4174.5-63.20000112.8Q17 D18Q17-S21 WeakPolarHBondContact O-CB 3.5Å; Q17-S21 PolarHBondContact O-N 2.76Å; Q17-S21 PolarHBondContact O-OG 2.81Å; D18-S21 PolarHBondContact O-N 3.48Å
22S54.2Low59Low97 Ų9745.5 Ų45.568%0.67828%0.279SS*.THydrogen-bonded Turntrans-75.6-20.1176.879.80000114.5D18 A19 F20 G24D18-S22 PolarHBondContact O-N 3.43Å; D18-S22 VanDerWaalsContact O-N 3.11Å; A19-S22 PolarHBondContact O-OG 2.83Å; F20-S22 PolarHBondContact O-N 2.75Å; F20-S22 VanDerWaalsContact O-N 3.17Å; S22-G24 VanDerWaalsContact C-N 3.35Å
23I56Low59.6Low22 Ų2245.3 Ų45.311%0.11328%0.277CS..THydrogen-bonded Turntrans-77.9-23.5-176.1-46.9167.3000111.2F20 Q25 A726F20-I23 HydrophobicContact CB-CD1 4.4Å; F20-I23 HydrophobicContact CD1-CD1 3.53Å; F20-I23 HydrophobicContact CE1-CD1 4.25Å; F20-I23 HydrophobicContact CG-CD1 4.33Å; F20-I23 PolarHBondContact O-N 2.89Å; F20-I23 VanDerWaalsContact O-N 3.12Å; I23-Q25 HydrophobicContact CG2-CB 4.17Å; I23-Q25 HydrophobicContact CG2-CG 4.16Å; I23-Q25 PolarHBondContact O-N 3.1Å; I23-A726 HydrophobicContact CD1-CB 3.28Å; I23-A726 HydrophobicContact CG1-CB 3.63Å
24G45.1Very low60.7Low73 Ų7345.1 Ų45.175%0.75328%0.276SS*.  trans76.5-14.5-172.900000114.3S22S22-G24 VanDerWaalsContact C-N 3.35Å
25Q45.8Very low61.8Low59 Ų5944.6 Ų44.628%0.27627%0.273SS..SBendtrans-67.5135.7169.1-80.9-176.4-14.100111.3I23 C27 E719 T723I23-Q25 HydrophobicContact CG2-CB 4.17Å; I23-Q25 HydrophobicContact CG2-CG 4.16Å; I23-Q25 PolarHBondContact O-N 3.1Å; Q25-C27 PolarHBondContact O-N 3.49Å; Q25-C27 PolarHBondContact OE1-SG 2.88Å; Q25-E719 PolarHBondContact NE2-OE1 2.99Å; Q25-T723 VanDerWaalsContact CD-OG1 3.28Å; Q25-T723 PolarHBondContact NE2-OG1 3Å; Q25-T723 VanDerWaalsContact OE1-CG2 3.26Å; Q25-T723 PolarHBondContact OE1-OG1 3.07Å
26A41.4Very low63Low101 Ų10137.4 Ų37.484%0.83525%0.246SC*.  trans-71.358.3155.600000110.2N28A26-N28 VanDerWaalsContact C-N 3.29Å; A26-N28 PolarHBondContact O-N 3.04Å
27C43.2Very low64.3Low32 Ų3237.4 Ų37.422%0.21625%0.246CC..  trans-55.1104.3157.1-70.70000105.5F20 Q25 L29F20-C27 HydrophobicContact CD1-CB 4.17Å; Q25-C27 PolarHBondContact O-N 3.49Å; Q25-C27 PolarHBondContact OE1-SG 2.88Å; C27-L29 HydrophobicContact CB-CD1 3.62Å; C27-L29 HydrophobicContact CB-CD2 4.3Å; C27-L29 HydrophobicContact CB-CG 3.78Å; C27-L29 VanDerWaalsContact O-CD1 3.24Å; C27-L29 WeakPolarHBondContact O-CD1 3.36Å; C27-L29 VanDerWaalsContact O-CG 3.28Å; C27-L29 WeakPolarHBondContact O-CG 3.33Å; C27-L29 PolarHBondContact O-N 3.11Å
28N50.6Low65.6Low105 Ų10536.1 Ų36.156%0.56124%0.24SC*.  trans-77.975.7-173.9-150.47.4000107.5A26 D30 R166A26-N28 VanDerWaalsContact C-N 3.29Å; A26-N28 PolarHBondContact O-N 3.04Å; N28-D30 PolarHBondContact O-N 2.74Å; N28-R166 VanDerWaalsContact OD1-CZ 3.27Å; N28-R166 PolarHBondContact OD1-NH1 3.42Å; N28-R166 PolarHBondContact OD1-NH2 3.41Å
29L55.9Low66.7Low27 Ų2734 Ų3414%0.14123%0.232CC..  trans-82.6115.3-171.2-62.5139.7000106.5F20 C27 L31 F296 L300F20-L29 HydrophobicContact CB-CD1 3.21Å; F20-L29 HydrophobicContact CD1-CD1 3.62Å; F20-L29 HydrophobicContact CD1-CD2 4.01Å; F20-L29 HydrophobicContact CD1-CG 4.4Å; F20-L29 HydrophobicContact CD2-CD1 3.43Å; F20-L29 VanDerWaalsContact CD2-CD1 3.43Å; F20-L29 HydrophobicContact CD2-CD2 3.75Å; F20-L29 HydrophobicContact CD2-CG 4.21Å; F20-L29 HydrophobicContact CE1-CD1 4.31Å; F20-L29 HydrophobicContact CE1-CD2 3.82Å; F20-L29 HydrophobicContact CE2-CD1 4.14Å; F20-L29 HydrophobicContact CE2-CD2 3.55Å; F20-L29 HydrophobicContact CE2-CG 4.48Å; F20-L29 HydrophobicContact CG-CD1 3.15Å; F20-L29 HydrophobicContact CG-CD2 4.01Å; F20-L29 HydrophobicContact CG-CG 4.2Å; F20-L29 HydrophobicContact CZ-CD2 3.59Å; C27-L29 HydrophobicContact CB-CD1 3.62Å; C27-L29 HydrophobicContact CB-CD2 4.3Å; C27-L29 HydrophobicContact CB-CG 3.78Å; C27-L29 VanDerWaalsContact O-CD1 3.24Å; C27-L29 WeakPolarHBondContact O-CD1 3.36Å; C27-L29 VanDerWaalsContact O-CG 3.28Å; C27-L29 WeakPolarHBondContact O-CG 3.33Å; C27-L29 PolarHBondContact O-N 3.11Å; L29-L31 HydrophobicContact CB-CD1 4.16Å; L29-L31 HydrophobicContact CB-CG 4.05Å; L29-L31 PolarHBondContact O-N 2.96Å; L29-F296 HydrophobicContact CB-CE2 4.11Å; L29-F296 HydrophobicContact CB-CZ 4.23Å; L29-F296 HydrophobicContact CD2-CE2 3.85Å; L29-F296 HydrophobicContact CD2-CZ 3.63Å; L29-L300 HydrophobicContact CD2-CD2 3.89Å
30D61.6Low67.6Low48 Ų4837 Ų3726%0.25724%0.244SC..  trans-75.753.9179.1-57.6-58.1000109.9N28 S168 K299N28-D30 PolarHBondContact O-N 2.74Å; D30-S168 WeakPolarHBondContact CB-OG 3.46Å; D30-S168 WeakPolarHBondContact O-CB 3.26Å; D30-S168 PolarHBondContact O-OG 2.9Å; D30-K299 IonicContact OD2-NZ 2.75Å; D30-K299 PolarHBondContact OD2-NZ 3.47Å
31L64.1Low68.7Low7 Ų741 Ų414%0.03727%0.272CS..  trans-69.5141.1179.8-73.6170.1000110V13 L16 Q17 L29 Q33 F296V13-L31 HydrophobicContact CG1-CB 4.44Å; L16-L31 HydrophobicContact CB-CD1 4.34Å; L16-L31 HydrophobicContact CB-CD2 4.41Å; L16-L31 HydrophobicContact CD1-CD2 4.34Å; Q17-L31 HydrophobicContact CB-CD1 4.44Å; Q17-L31 HydrophobicContact CG-CD1 3.45Å; Q17-L31 VanDerWaalsContact CG-CD1 3.45Å; L29-L31 HydrophobicContact CB-CD1 4.16Å; L29-L31 HydrophobicContact CB-CG 4.05Å; L29-L31 PolarHBondContact O-N 2.96Å; L31-Q33 PolarHBondContact O-N 2.63Å; L31-F296 HydrophobicContact CD2-CD1 4.33Å; L31-F296 HydrophobicContact CD2-CE1 3.6Å; L31-F296 HydrophobicContact CD2-CE2 4.2Å; L31-F296 HydrophobicContact CD2-CZ 3.52Å; L31-F296 HydrophobicContact CG-CE2 4.45Å; L31-F296 HydrophobicContact CG-CZ 4.02Å
32P69.2Low70.1Confident9 Ų937.5 Ų37.56%0.05825%0.248CC..  trans-67.5123.3-175.2-21.335.8000111.2S168 L285 I289 T292P32-S168 WeakPolarHBondContact CA-O 3.33Å; P32-L285 HydrophobicContact CB-CD1 4.3Å; P32-I289 HydrophobicContact CB-CB 4.43Å; P32-I289 HydrophobicContact CB-CG1 3.56Å; P32-I289 HydrophobicContact CG-CB 4.28Å; P32-I289 HydrophobicContact CG-CG1 3.79Å; P32-T292 VanDerWaalsContact CG-OG1 3.24Å; P32-T292 WeakPolarHBondContact CG-OG1 3.41Å
33Q80.1Confident71.6Confident19 Ų1933.5 Ų33.59%0.08922%0.221CC..EExtended strand (participates in β ladder)trans-144.8156.8-171.163.6-168.912.300110.7L31 I135 C169 L170L31-Q33 PolarHBondContact O-N 2.63Å; Q33-I135 HydrophobicContact CB-CD1 4.27Å; Q33-I135 VanDerWaalsContact CD-CD1 3.47Å; Q33-I135 HydrophobicContact CG-CD1 4.08Å; Q33-C169 HydrophobicContact CG-CB 4.32Å; Q33-L170 PolarHBondContact O-N 3.23Å
34I88.6Confident73.2Confident0 Ų033 Ų330%022%0.218CC..EExtended strand (participates in β ladder)trans-106.3112.9175.7-57.8164.4000108.9T133 L134 I135 L170 L172 L281 L285I34-T133 PolarHBondContact N-O 2.66Å; I34-L134 HydrophobicContact CB-CD2 3.98Å; I34-L134 HydrophobicContact CD1-CD2 4.18Å; I34-L134 HydrophobicContact CG2-CD2 3.86Å; I34-L134 CarbonylContact O-C 3.56Å; I34-L134 WeakPolarHBondContact O-CA 3.42Å; I34-I135 PolarHBondContact O-N 3.48Å; I34-L170 HydrophobicContact CG1-CB 4.17Å; I34-L170 HydrophobicContact CG1-CD1 4.16Å; I34-L172 HydrophobicContact CG2-CB 3.88Å; I34-L172 HydrophobicContact CG2-CD2 4.47Å; I34-L281 HydrophobicContact CD1-CB 4.09Å; I34-L281 HydrophobicContact CD1-CD2 4.28Å; I34-L285 HydrophobicContact CD1-CB 4.24Å; I34-L285 HydrophobicContact CD1-CD2 4.14Å; I34-L285 HydrophobicContact CG1-CD1 4.4Å
35A91.4Very high75.1Confident0 Ų030.5 Ų30.50%019%0.19CC..EExtended strand (participates in β ladder)trans-92.1126.8172.400000110.9L137 I164 C169 L170 L172A35-L137 HydrophobicContact CB-CD1 3.94Å; A35-I164 HydrophobicContact CB-CG2 3.98Å; A35-C169 WeakPolarHBondContact CB-SG 3.37Å; A35-L170 PolarHBondContact N-O 3.2Å; A35-L172 PolarHBondContact O-N 3.09Å
36V93.4Very high77.1Confident0 Ų028.9 Ų28.90%019%0.185CC..EExtended strand (participates in β ladder)trans-91.2112.4177.9-168.50000109.4K44 L48 L134 I135 L172 V174V36-K44 HydrophobicContact CG1-CB 4Å; V36-K44 HydrophobicContact CG1-CD 3.96Å; V36-K44 HydrophobicContact CG1-CG 3.91Å; V36-L48 HydrophobicContact CG2-CD2 4.13Å; V36-L134 HydrophobicContact CG2-CD2 4.35Å; V36-I135 PolarHBondContact N-O 2.98Å; V36-L172 HydrophobicContact CG1-CD2 4.47Å; V36-L172 HydrophobicContact CG2-CB 4.48Å; V36-L172 HydrophobicContact CG2-CD2 4.15Å; V36-V174 HydrophobicContact CG1-CG2 3.62Å
37V93.6Very high79.3Confident1 Ų124.2 Ų24.21%0.00615%0.146CC..EExtended strand (participates in β ladder)trans-116.8136.9-177.1-176.10000109.6L137 I160 I164 I171 L172 V174 L189V37-L137 HydrophobicContact CG2-CD1 4.13Å; V37-I160 HydrophobicContact CG1-CG2 4.11Å; V37-I160 HydrophobicContact CG2-CG2 3.9Å; V37-I164 HydrophobicContact CG2-CG2 3.75Å; V37-I171 HydrophobicContact CB-CG2 4.5Å; V37-I171 HydrophobicContact CG2-CG2 4.2Å; V37-L172 PolarHBondContact N-O 3.41Å; V37-V174 PolarHBondContact O-N 2.81Å; V37-L189 HydrophobicContact CG1-CD1 4.06Å
38G91.6Very high81.4Confident0 Ų022.8 Ų22.80%014%0.136CC..  trans173.9154.1-179.900000112.2K44 G139G38-K44 PolarHBondContact O-NZ 2.88Å; G38-G139 WeakPolarHBondContact O-CA 3.32Å
39G88.7Confident83.2Confident16 Ų1617.8 Ų17.817%0.16511%0.109CC..BIsolated β-bridgetrans-57.4167.9176.800000113.2S41 A42 K44G39-S41 PolarHBondContact O-N 3.07Å; G39-A42 WeakPolarHBondContact O-CB 3.21Å; G39-A42 PolarHBondContact O-N 2.84Å; G39-K44 PolarHBondContact O-NZ 3.26Å
40Q85.6Confident84.5Confident81 Ų8116.9 Ų16.938%0.37910%0.104SC..THydrogen-bonded Turntrans-53.1139.7167.6-164.6-170.96.100110.2A42 G62 I140 T141Q40-A42 PolarHBondContact O-N 3.44Å; Q40-G62 PolarHBondContact NE2-O 3.43Å; Q40-I140 PolarHBondContact N-O 2.71Å; Q40-T141 HydrophobicContact CB-CG2 4.06Å; Q40-T141 HydrophobicContact CG-CG2 4.26Å
41S84.1Confident85.4Confident88 Ų8814.8 Ų14.862%0.6159%0.093SC*.THydrogen-bonded Turntrans58.614.3178.3-54.30000116.5G39 G43 K206G39-S41 PolarHBondContact O-N 3.07Å; S41-G43 PolarHBondContact O-N 3.35Å; S41-K206 VanDerWaalsContact O-CE 3.24Å; S41-K206 WeakPolarHBondContact O-CE 3.48Å; S41-K206 PolarHBondContact O-NZ 2.97Å
42A86.8Confident86.3Confident3 Ų314.5 Ų14.53%0.0259%0.092CC..SBendtrans-68.6-8.117300000114.1G39 Q40 V174 T205G39-A42 WeakPolarHBondContact O-CB 3.21Å; G39-A42 PolarHBondContact O-N 2.84Å; Q40-A42 PolarHBondContact O-N 3.44Å; A42-V174 HydrophobicContact CB-CG1 4.37Å; A42-V174 WeakPolarHBondContact O-CG1 3.31Å; A42-T205 WeakPolarHBondContact O-CG2 3.18Å; A42-T205 PolarHBondContact O-OG1 2.87Å
43G86.4Confident86.7Confident12 Ų1215.4 Ų15.412%0.12410%0.103CC..SBendtrans92.815.5178.600000115.6S41 S45 S46 V47S41-G43 PolarHBondContact O-N 3.35Å; G43-S45 PolarHBondContact O-N 2.97Å; G43-S46 WeakPolarHBondContact O-CB 3.32Å; G43-S46 PolarHBondContact O-N 2.87Å; G43-V47 WeakPolarHBondContact O-CG2 3.42Å; G43-V47 PolarHBondContact O-N 2.88Å
44K88.9Confident86.8Confident12 Ų1220.1 Ų20.15%0.05212%0.12CC..Hα-helixtrans-48.8-57.2178-63.8-167.1-62.8-70.30112.7V36 G38 G39 S46 V47 L48 L137 V174V36-K44 HydrophobicContact CG1-CB 4Å; V36-K44 HydrophobicContact CG1-CD 3.96Å; V36-K44 HydrophobicContact CG1-CG 3.91Å; G38-K44 PolarHBondContact O-NZ 2.88Å; G39-K44 PolarHBondContact O-NZ 3.26Å; K44-S46 VanDerWaalsContact C-N 3.31Å; K44-S46 PolarHBondContact O-N 3.05Å; K44-V47 WeakPolarHBondContact O-CB 3.41Å; K44-V47 PolarHBondContact O-N 3.27Å; K44-V47 VanDerWaalsContact O-N 3.1Å; K44-L48 PolarHBondContact O-N 3.47Å; K44-L48 VanDerWaalsContact O-N 3.14Å; K44-L137 WeakPolarHBondContact CE-O 3.38Å; K44-V174 HydrophobicContact CG-CB 4.17Å; K44-V174 HydrophobicContact CG-CG1 4.43Å; K44-V174 HydrophobicContact CG-CG2 4.29Å
45S86.8Confident86.6Confident21 Ų2122 Ų2215%0.14713%0.13CC..Hα-helixtrans-59.7-41.3-179-40.80000111.5G43 V47 L48 E49G43-S45 PolarHBondContact O-N 2.97Å; S45-V47 VanDerWaalsContact C-N 3.34Å; S45-V47 PolarHBondContact O-N 3.46Å; S45-L48 PolarHBondContact O-N 3.2Å; S45-L48 VanDerWaalsContact O-N 3.15Å; S45-E49 WeakPolarHBondContact O-CB 3.49Å; S45-E49 VanDerWaalsContact O-CG 3.28Å; S45-E49 WeakPolarHBondContact O-CG 3.22Å; S45-E49 PolarHBondContact O-N 3.48Å
46S87.5Confident86.4Confident25 Ų2522 Ų2218%0.17513%0.13CC..Hα-helixtrans-62.9-36.2176.2-46.80000113.3G43 K44 E49 N50 N236G43-S46 WeakPolarHBondContact O-CB 3.32Å; G43-S46 PolarHBondContact O-N 2.87Å; K44-S46 VanDerWaalsContact C-N 3.31Å; K44-S46 PolarHBondContact O-N 3.05Å; S46-E49 WeakPolarHBondContact CA-OE2 3.5Å; S46-N50 VanDerWaalsContact O-CB 3.31Å; S46-N50 WeakPolarHBondContact O-CB 3.46Å; S46-N50 PolarHBondContact O-N 3.43Å; S46-N50 PolarHBondContact O-OD1 3.46Å; S46-N236 WeakPolarHBondContact CB-ND2 3.46Å
47V87.8Confident86.1Confident3 Ų322.2 Ų22.22%0.01813%0.131CC..Hα-helixtrans-65.8-41.1174.2172.10000110.8G43 K44 S45 F51 V203 T205 V234 L277G43-V47 WeakPolarHBondContact O-CG2 3.42Å; G43-V47 PolarHBondContact O-N 2.88Å; K44-V47 WeakPolarHBondContact O-CB 3.41Å; K44-V47 PolarHBondContact O-N 3.27Å; K44-V47 VanDerWaalsContact O-N 3.1Å; S45-V47 VanDerWaalsContact C-N 3.34Å; S45-V47 PolarHBondContact O-N 3.46Å; V47-F51 HydrophobicContact CG1-CE1 3.92Å; V47-F51 HydrophobicContact CG1-CE2 3.85Å; V47-F51 HydrophobicContact CG1-CZ 3.42Å; V47-F51 VanDerWaalsContact CG1-CZ 3.42Å; V47-F51 VanDerWaalsContact O-CD1 3.32Å; V47-F51 WeakPolarHBondContact O-CD1 3.22Å; V47-F51 VanDerWaalsContact O-CG 3.3Å; V47-F51 WeakPolarHBondContact O-CG 3.46Å; V47-F51 PolarHBondContact O-N 2.95Å; V47-V203 HydrophobicContact CG2-CG1 4.38Å; V47-T205 HydrophobicContact CG2-CG2 4.03Å; V47-V234 HydrophobicContact CG2-CG2 4.06Å; V47-L277 HydrophobicContact CG1-CD2 3.9Å
48L87.4Confident85.6Confident1 Ų123 Ų231%0.00514%0.136CC..Hα-helixtrans-68.4-41.7176.9-66.8171.4000112.7V36 K44 S45 N50 F51 V52 L57 L71 L134 D136V36-L48 HydrophobicContact CG2-CD2 4.13Å; K44-L48 PolarHBondContact O-N 3.47Å; K44-L48 VanDerWaalsContact O-N 3.14Å; S45-L48 PolarHBondContact O-N 3.2Å; S45-L48 VanDerWaalsContact O-N 3.15Å; L48-N50 VanDerWaalsContact C-N 3.35Å; L48-F51 HydrophobicContact CD2-CD2 4.25Å; L48-F51 HydrophobicContact CD2-CE2 4.49Å; L48-F51 WeakPolarHBondContact O-CB 3.41Å; L48-F51 PolarHBondContact O-N 3.14Å; L48-V52 PolarHBondContact O-N 2.64Å; L48-V52 VanDerWaalsContact O-N 3.15Å; L48-L57 HydrophobicContact CB-CD1 3.88Å; L48-L57 HydrophobicContact CD1-CD1 4.06Å; L48-L71 HydrophobicContact CD2-CD2 4.44Å; L48-L134 HydrophobicContact CD2-CB 3.99Å; L48-L134 HydrophobicContact CD2-CD1 3.86Å; L48-L134 HydrophobicContact CD2-CD2 4.13Å; L48-L134 HydrophobicContact CD2-CG 4.21Å; L48-D136 HydrophobicContact CD1-CB 3.56Å
49E86.9Confident84.8Confident0 Ų026.7 Ų26.70%015%0.15CC..Hα-helixtrans-64.4-39.1175.9-70.5166.6136.100111.8S45 S46 F51 V52 G53 R54 F56 L57 R59S45-E49 WeakPolarHBondContact O-CB 3.49Å; S45-E49 VanDerWaalsContact O-CG 3.28Å; S45-E49 WeakPolarHBondContact O-CG 3.22Å; S45-E49 PolarHBondContact O-N 3.48Å; S46-E49 WeakPolarHBondContact CA-OE2 3.5Å; E49-F51 PolarHBondContact O-N 3.43Å; E49-V52 PolarHBondContact O-N 3.45Å; E49-G53 PolarHBondContact O-N 3.1Å; E49-R54 WeakPolarHBondContact CB-O 3.38Å; E49-F56 HydrophobicContact CG-CD1 4.3Å; E49-F56 HydrophobicContact CG-CE1 4.15Å; E49-L57 HydrophobicContact CG-CB 4.35Å; E49-L57 HydrophobicContact CG-CD1 4.15Å; E49-L57 HydrophobicContact CG-CG 4.19Å; E49-L57 PolarHBondContact OE1-N 3.38Å; E49-R59 IonicContact OE1-CZ 2.81Å; E49-R59 VanDerWaalsContact OE1-CZ 3.23Å; E49-R59 IonicContact OE1-NE 3.49Å; E49-R59 IonicContact OE1-NH1 2.69Å; E49-R59 PolarHBondContact OE1-NH1 3.04Å; E49-R59 IonicContact OE1-NH2 3.97Å; E49-R59 PolarHBondContact OE1-NH2 2.9Å; E49-R59 VanDerWaalsContact OE1-NH2 3.09Å; E49-R59 IonicContact OE2-CZ 3.66Å; E49-R59 IonicContact OE2-NH1 3.88Å; E49-R59 PolarHBondContact OE2-NH1 3.48Å; E49-R59 IonicContact OE2-NH2 3.63Å; E49-R59 PolarHBondContact OE2-NH2 3.47Å
50N83.6Confident83.9Confident8 Ų828.7 Ų28.74%0.04317%0.17CC..Hα-helixtrans-66-20.7171.8-72.9-3.6000112.9S46 L48 N236 T274 Q278S46-N50 VanDerWaalsContact O-CB 3.31Å; S46-N50 WeakPolarHBondContact O-CB 3.46Å; S46-N50 PolarHBondContact O-N 3.43Å; S46-N50 PolarHBondContact O-OD1 3.46Å; L48-N50 VanDerWaalsContact C-N 3.35Å; N50-N236 PolarHBondContact ND2-OD1 2.75Å; N50-T274 HydrophobicContact CB-CG2 3.7Å; N50-Q278 PolarHBondContact O-NE2 2.9Å
51F81.2Confident82.7Confident4 Ų430.7 Ų30.72%0.01819%0.193CC..Hα-helixtrans-79-36.8171.2-61.9-19000112.9V47 L48 E49 L73 L134 T274 L277 Q278 L281V47-F51 HydrophobicContact CG1-CE1 3.92Å; V47-F51 HydrophobicContact CG1-CE2 3.85Å; V47-F51 HydrophobicContact CG1-CZ 3.42Å; V47-F51 VanDerWaalsContact CG1-CZ 3.42Å; V47-F51 VanDerWaalsContact O-CD1 3.32Å; V47-F51 WeakPolarHBondContact O-CD1 3.22Å; V47-F51 VanDerWaalsContact O-CG 3.3Å; V47-F51 WeakPolarHBondContact O-CG 3.46Å; V47-F51 PolarHBondContact O-N 2.95Å; L48-F51 HydrophobicContact CD2-CD2 4.25Å; L48-F51 HydrophobicContact CD2-CE2 4.49Å; L48-F51 WeakPolarHBondContact O-CB 3.41Å; L48-F51 PolarHBondContact O-N 3.14Å; E49-F51 PolarHBondContact O-N 3.43Å; F51-L73 HydrophobicContact CB-CD1 4.21Å; F51-L134 HydrophobicContact CD2-CD1 3.8Å; F51-L134 HydrophobicContact CE2-CD1 4.31Å; F51-L134 HydrophobicContact CE2-CD2 4.33Å; F51-T274 HydrophobicContact CD1-CG2 3.9Å; F51-T274 HydrophobicContact CE1-CG2 4.06Å; F51-L277 HydrophobicContact CE1-CB 4.35Å; F51-L277 HydrophobicContact CE1-CD2 3.83Å; F51-L277 HydrophobicContact CE1-CG 3.93Å; F51-L277 HydrophobicContact CZ-CD2 3.6Å; F51-L277 HydrophobicContact CZ-CG 3.72Å; F51-Q278 HydrophobicContact CD1-CG 3.45Å; F51-Q278 VanDerWaalsContact CD1-CG 3.45Å; F51-Q278 HydrophobicContact CE1-CG 3.82Å; F51-Q278 HydrophobicContact CG-CG 4.19Å; F51-L281 HydrophobicContact CE2-CD1 3.53Å; F51-L281 HydrophobicContact CZ-CD1 3.47Å; F51-L281 VanDerWaalsContact CZ-CD1 3.47Å
52V81.8Confident81.9Confident1 Ų127.3 Ų27.31%0.00617%0.173CC..Hα-helixtrans-79.6-30.3178.7179.30000112.2L48 E49 R54 F56 L71 L73 F94 V124L48-V52 PolarHBondContact O-N 2.64Å; L48-V52 VanDerWaalsContact O-N 3.15Å; E49-V52 PolarHBondContact O-N 3.45Å; V52-R54 VanDerWaalsContact C-N 3.33Å; V52-R54 HydrophobicContact CG1-CB 4.02Å; V52-R54 HydrophobicContact CG1-CG 4.28Å; V52-F56 HydrophobicContact CB-CD1 4.22Å; V52-F56 HydrophobicContact CB-CE1 3.68Å; V52-F56 HydrophobicContact CG1-CD1 4.2Å; V52-F56 HydrophobicContact CG1-CE1 4.07Å; V52-F56 HydrophobicContact CG2-CD1 4.32Å; V52-F56 HydrophobicContact CG2-CE1 3.4Å; V52-F56 VanDerWaalsContact CG2-CE1 3.4Å; V52-F56 HydrophobicContact CG2-CZ 3.78Å; V52-L71 HydrophobicContact CG2-CD2 4.36Å; V52-L73 HydrophobicContact CG2-CD1 4.29Å; V52-L73 HydrophobicContact CG2-CD2 3.58Å; V52-F94 HydrophobicContact CG1-CE1 4.23Å; V52-V124 HydrophobicContact CG1-CG1 3.92Å
53G78.6Confident81Confident28 Ų2828 Ų2829%0.28918%0.176SC..THydrogen-bonded Turntrans78.519.2-171.300000113.3E49 I248E49-G53 PolarHBondContact O-N 3.1Å; G53-I248 VanDerWaalsContact O-CD1 3.3Å; G53-I248 WeakPolarHBondContact O-CD1 3.35Å
54R82.4Confident80.5Confident118 Ų11829.5 Ų29.545%0.44518%0.183SC..SBendtrans-143151.9178.7-62.8-65.7-174.7179.34.4110.9E49 V52 F56 E79 F94E49-R54 WeakPolarHBondContact CB-O 3.38Å; V52-R54 VanDerWaalsContact C-N 3.33Å; V52-R54 HydrophobicContact CG1-CB 4.02Å; V52-R54 HydrophobicContact CG1-CG 4.28Å; R54-F56 WeakPolarHBondContact O-CD1 3.37Å; R54-E79 IonicContact CZ-OE2 2.7Å; R54-E79 IonicContact NE-OE2 2.78Å; R54-E79 PolarHBondContact NE-OE2 3.18Å; R54-E79 IonicContact NH2-OE2 3.16Å; R54-E79 PolarHBondContact NH2-OE2 3Å; R54-F94 HydrophobicContact CB-CB 4.36Å; R54-F94 HydrophobicContact CB-CD1 4.07Å; R54-F94 HydrophobicContact CB-CD2 4.19Å; R54-F94 HydrophobicContact CB-CE1 4.39Å; R54-F94 HydrophobicContact CB-CG 3.94Å; R54-F94 HydrophobicContact CG-CD1 4.37Å; R54-F94 HydrophobicContact CG-CD2 3.79Å; R54-F94 HydrophobicContact CG-CE1 4.37Å; R54-F94 HydrophobicContact CG-CE2 3.81Å; R54-F94 HydrophobicContact CG-CG 4.07Å; R54-F94 HydrophobicContact CG-CZ 4.1Å
55D83.3Confident80.1Confident41 Ų4129.7 Ų29.722%0.21919%0.185CC..  trans-87.3110.6168.3-68.4-69.9000108.9R59 R98 R237D55-R59 IonicContact OD1-CZ 2.81Å; D55-R59 IonicContact OD1-NH2 3.4Å; D55-R59 PolarHBondContact OD1-NH2 3.04Å; D55-R98 PolarHBondContact O-NH2 3.07Å; D55-R237 VanDerWaalsContact CG-NH2 3.29Å; D55-R237 IonicContact OD1-CZ 2.7Å; D55-R237 IonicContact OD1-NH1 2.79Å; D55-R237 IonicContact OD1-NH2 3.18Å; D55-R237 PolarHBondContact OD1-NH2 3.29Å; D55-R237 IonicContact OD2-CZ 2.72Å; D55-R237 IonicContact OD2-NH1 2.67Å; D55-R237 PolarHBondContact OD2-NH1 2.82Å; D55-R237 IonicContact OD2-NH2 3.74Å; D55-R237 PolarHBondContact OD2-NH2 3.23Å
56F87.3Confident80.1Confident0 Ų030.2 Ų30.20%018%0.184CC..  trans-143.5-8.2-176.372-83.1000113.7E49 V52 R54 L71 F94 V97 R98 I101 L122E49-F56 HydrophobicContact CG-CD1 4.3Å; E49-F56 HydrophobicContact CG-CE1 4.15Å; V52-F56 HydrophobicContact CB-CD1 4.22Å; V52-F56 HydrophobicContact CB-CE1 3.68Å; V52-F56 HydrophobicContact CG1-CD1 4.2Å; V52-F56 HydrophobicContact CG1-CE1 4.07Å; V52-F56 HydrophobicContact CG2-CD1 4.32Å; V52-F56 HydrophobicContact CG2-CE1 3.4Å; V52-F56 VanDerWaalsContact CG2-CE1 3.4Å; V52-F56 HydrophobicContact CG2-CZ 3.78Å; R54-F56 WeakPolarHBondContact O-CD1 3.37Å; F56-L71 HydrophobicContact CE2-CD1 4Å; F56-L71 HydrophobicContact CE2-CD2 4.33Å; F56-L71 HydrophobicContact CZ-CD1 4.1Å; F56-L71 HydrophobicContact CZ-CD2 3.76Å; F56-F94 HydrophobicContact CB-CB 4.02Å; F56-F94 HydrophobicContact CB-CD1 3.71Å; F56-F94 HydrophobicContact CB-CG 4.34Å; F56-F94 HydrophobicContact CG-CD1 4.25Å; F56-V97 HydrophobicContact CB-CG1 4.27Å; F56-V97 HydrophobicContact CD2-CG1 4.23Å; F56-R98 VanDerWaalsContact O-CA 3.31Å; F56-R98 WeakPolarHBondContact O-CA 3.42Å; F56-R98 WeakPolarHBondContact O-CB 3.29Å; F56-I101 HydrophobicContact CD2-CD1 4.31Å; F56-L122 HydrophobicContact CD2-CD2 4.06Å; F56-L122 HydrophobicContact CE2-CD2 3.99Å
57L88.3Confident80.1Confident3 Ų329.5 Ų29.52%0.01618%0.177CC..SBendtrans-86.1150175.1-64.4177.9000109.7L48 E49 L69 R98 I101L48-L57 HydrophobicContact CB-CD1 3.88Å; L48-L57 HydrophobicContact CD1-CD1 4.06Å; E49-L57 HydrophobicContact CG-CB 4.35Å; E49-L57 HydrophobicContact CG-CD1 4.15Å; E49-L57 HydrophobicContact CG-CG 4.19Å; E49-L57 PolarHBondContact OE1-N 3.38Å; L57-L69 HydrophobicContact CD2-CD2 3.31Å; L57-R98 VanDerWaalsContact O-CD 3.27Å; L57-R98 WeakPolarHBondContact O-CD 3.33Å; L57-R98 PolarHBondContact O-NE 3.22Å; L57-I101 HydrophobicContact CD2-CD1 4.36Å
58P83.4Confident80.2Confident17 Ų1729.3 Ų29.311%0.1118%0.176CC..  trans-54.1153.5173.3-26.836.3000111.7V64 I101 E102P58-V64 VanDerWaalsContact C-CG1 3.49Å; P58-V64 HydrophobicContact CB-CG1 3.77Å; P58-V64 WeakPolarHBondContact O-CG1 3.27Å; P58-I101 HydrophobicContact CG-CB 4.32Å; P58-I101 HydrophobicContact CG-CG2 3.72Å; P58-E102 WeakPolarHBondContact CA-OE1 3.42Å; P58-E102 HydrophobicContact CB-CG 3.86Å; P58-E102 VanDerWaalsContact CB-OE1 3.31Å; P58-E102 WeakPolarHBondContact CB-OE1 3.42Å; P58-E102 HydrophobicContact CG-CG 3.7Å
59R75Confident80.3Confident78 Ų7829.7 Ų29.729%0.29418%0.178SC..  trans-137.9132.3174-61.6-165.2-173.4-64.711.8110.2E49 D55E49-R59 IonicContact OE1-CZ 2.81Å; E49-R59 VanDerWaalsContact OE1-CZ 3.23Å; E49-R59 IonicContact OE1-NE 3.49Å; E49-R59 IonicContact OE1-NH1 2.69Å; E49-R59 PolarHBondContact OE1-NH1 3.04Å; E49-R59 IonicContact OE1-NH2 3.97Å; E49-R59 PolarHBondContact OE1-NH2 2.9Å; E49-R59 VanDerWaalsContact OE1-NH2 3.09Å; E49-R59 IonicContact OE2-CZ 3.66Å; E49-R59 IonicContact OE2-NH1 3.88Å; E49-R59 PolarHBondContact OE2-NH1 3.48Å; E49-R59 IonicContact OE2-NH2 3.63Å; E49-R59 PolarHBondContact OE2-NH2 3.47Å; D55-R59 IonicContact OD1-CZ 2.81Å; D55-R59 IonicContact OD1-NH2 3.4Å; D55-R59 PolarHBondContact OD1-NH2 3.04Å
60G68.6Low80.4Confident58 Ų5830.3 Ų30.360%0.59818%0.182SC*.  trans178.3175.1178.100000114.3V64G60-V64 VanDerWaalsContact O-CG2 3.27Å; G60-V64 WeakPolarHBondContact O-CG2 3.37Å
61S61.2Low80.6Confident123 Ų12330 Ų3086%0.8618%0.18SC*.SBendtrans-84.1115.6175.156.70000111.3
62G67.1Low80.8Confident18 Ų1830.3 Ų30.319%0.18618%0.182CC..SBendtrans127.9-157.8-17900000112.3Q40 V64Q40-G62 PolarHBondContact NE2-O 3.43Å; G62-V64 PolarHBondContact O-N 3.42Å
63I68.2Low80.8Confident17 Ų1730.3 Ų30.39%0.08718%0.182CC..  trans-75106.8169.6-60.5179.6000107.7T65 R66 T141 I152 I156I63-T65 VanDerWaalsContact CG2-O 3.22Å; I63-T65 WeakPolarHBondContact CG2-O 3.13Å; I63-R66 HydrophobicContact CB-CG 4.38Å; I63-R66 HydrophobicContact CG2-CG 3.89Å; I63-T141 HydrophobicContact CD1-CG2 4.09Å; I63-T141 HydrophobicContact CG1-CG2 3.71Å; I63-I152 HydrophobicContact CD1-CD1 4.33Å; I63-I152 HydrophobicContact CD1-CG1 3.95Å; I63-I156 HydrophobicContact CD1-CD1 3.57Å
64V75.3Confident81Confident44 Ų4430.4 Ų30.427%0.26718%0.175SC..SBendtrans-76.3-59.1-180178.70000110.1P58 G60 G62 R66P58-V64 VanDerWaalsContact C-CG1 3.49Å; P58-V64 HydrophobicContact CB-CG1 3.77Å; P58-V64 WeakPolarHBondContact O-CG1 3.27Å; G60-V64 VanDerWaalsContact O-CG2 3.27Å; G60-V64 WeakPolarHBondContact O-CG2 3.37Å; G62-V64 PolarHBondContact O-N 3.42Å; V64-R66 PolarHBondContact O-N 3.35Å
65T81.6Confident80.9Confident16 Ų1627.8 Ų27.810%0.09818%0.175CC..  trans-80.299.5173.8-48.50000109.5I63 R67 D136 P138I63-T65 VanDerWaalsContact CG2-O 3.22Å; I63-T65 WeakPolarHBondContact CG2-O 3.13Å; T65-R67 VanDerWaalsContact CG2-O 3.25Å; T65-R67 WeakPolarHBondContact CG2-O 3.42Å; T65-D136 HydrophobicContact CG2-CB 4.38Å; T65-D136 WeakPolarHBondContact CG2-OD2 3.38Å; T65-D136 PolarHBondContact OG1-OD2 2.7Å; T65-P138 VanDerWaalsContact O-CA 3.3Å; T65-P138 WeakPolarHBondContact O-CA 3.47Å; T65-P138 VanDerWaalsContact O-CB 3.25Å; T65-P138 WeakPolarHBondContact O-CB 3.31Å; T65-P138 WeakPolarHBondContact O-CG 3.23Å
66R85.5Confident80.9Confident32 Ų3227 Ų2712%0.12117%0.174CC..  trans-95.6-14.9179.9-70.4177.9-76.7154.5-8.8114.8I63 V64 T105 D106 T109 G110 G114 I115 S116I63-R66 HydrophobicContact CB-CG 4.38Å; I63-R66 HydrophobicContact CG2-CG 3.89Å; V64-R66 PolarHBondContact O-N 3.35Å; R66-T105 HydrophobicContact CB-CG2 3.77Å; R66-D106 IonicContact CZ-OD1 3.69Å; R66-D106 IonicContact NH1-OD1 2.73Å; R66-D106 PolarHBondContact NH1-OD1 3.33Å; R66-D106 IonicContact NH2-OD1 2.71Å; R66-D106 PolarHBondContact NH2-OD1 2.75Å; R66-D106 IonicContact NH2-OD2 3.97Å; R66-T109 PolarHBondContact NH1-OG1 3.35Å; R66-T109 VanDerWaalsContact NH1-OG1 3.15Å; R66-G110 PolarHBondContact NH1-O 3.38Å; R66-G114 WeakPolarHBondContact CD-O 3.38Å; R66-I115 HydrophobicContact CB-CG2 4.34Å; R66-I115 VanDerWaalsContact O-CA 3.26Å; R66-I115 WeakPolarHBondContact O-CA 3.39Å; R66-I115 WeakPolarHBondContact O-CB 3.41Å; R66-S116 PolarHBondContact O-N 2.91Å; R66-S116 VanDerWaalsContact O-N 3.15Å
67R87.8Confident80.7Confident9 Ų935.2 Ų35.23%0.03422%0.218CC..SBendtrans-129147.1173.8-70.7175.165.1-172.5-6.1108.6T65 L69 E104 T105 V108 T109 V118 P119 I120T65-R67 VanDerWaalsContact CG2-O 3.25Å; T65-R67 WeakPolarHBondContact CG2-O 3.42Å; R67-L69 PolarHBondContact O-N 2.95Å; R67-E104 IonicContact CZ-OE1 2.68Å; R67-E104 PolarHBondContact NH1-O 3.17Å; R67-E104 IonicContact NH1-OE1 3.34Å; R67-E104 PolarHBondContact NH1-OE1 3.32Å; R67-E104 IonicContact NH2-OE1 3.46Å; R67-T105 HydrophobicContact CG-CG2 4.36Å; R67-V108 VanDerWaalsContact NH1-CG2 3.27Å; R67-T109 HydrophobicContact CG-CG2 4.08Å; R67-V118 PolarHBondContact NE-O 3Å; R67-V118 PolarHBondContact NH2-O 2.84Å; R67-V118 VanDerWaalsContact NH2-O 3.12Å; R67-P119 PolarHBondContact NH2-O 3.3Å; R67-P119 VanDerWaalsContact NH2-O 3.13Å; R67-I120 HydrophobicContact CB-CD1 4.4Å; R67-I120 HydrophobicContact CB-CG1 4.45Å; R67-I120 VanDerWaalsContact CZ-CG1 3.5Å
68P89.3Confident80.5Confident0 Ų037.8 Ų37.80%024%0.24CC..  trans-57.1131.1171.5-24.634.8000111.1S116 P119 I120 I135 D136 L137 M159 F163P68-S116 VanDerWaalsContact CD-O 3.23Å; P68-S116 WeakPolarHBondContact CD-O 3.37Å; P68-P119 HydrophobicContact CB-CB 4.22Å; P68-P119 CarbonylContact O-C 3.59Å; P68-P119 WeakPolarHBondContact O-CA 3.32Å; P68-I120 PolarHBondContact O-N 2.76Å; P68-I135 HydrophobicContact CB-CG2 4.36Å; P68-D136 WeakPolarHBondContact CA-O 3.33Å; P68-L137 HydrophobicContact CB-CD2 4.02Å; P68-L137 HydrophobicContact CG-CD2 4.21Å; P68-M159 HydrophobicContact CG-CG 4.23Å; P68-M159 HydrophobicContact CG-SD 3.61Å; P68-F163 HydrophobicContact CB-CE2 4.18Å; P68-F163 HydrophobicContact CB-CZ 3.98Å; P68-F163 HydrophobicContact CG-CE2 3.86Å; P68-F163 HydrophobicContact CG-CZ 4.04Å
69L90.4Very high80.7Confident8 Ų839.2 Ų39.24%0.04225%0.245CC..EExtended strand (participates in β ladder)trans-108.1109.8175.3-178.570.2000109.5L57 R67 L71 I101 I120 L122 I135 D136L57-L69 HydrophobicContact CD2-CD2 3.31Å; R67-L69 PolarHBondContact O-N 2.95Å; L69-L71 PolarHBondContact O-N 2.88Å; L69-I101 HydrophobicContact CD2-CD1 4.24Å; L69-I120 HydrophobicContact CD1-CB 3.83Å; L69-I120 HydrophobicContact CD1-CG2 3.79Å; L69-L122 HydrophobicContact CD1-CB 4.08Å; L69-I135 CarbonylContact O-C 3.56Å; L69-I135 WeakPolarHBondContact O-CA 3.36Å; L69-D136 HydrophobicContact CB-CB 4.24Å; L69-D136 PolarHBondContact N-O 3.36Å; L69-D136 PolarHBondContact O-N 3.23Å
70V88.2Confident81.6Confident14 Ų1437.6 Ų37.69%0.08524%0.239CC..EExtended strand (participates in β ladder)trans-84.8103172.4-177.90000107.9P119 I120 N121 L122 T133 I135V70-P119 HydrophobicContact CG2-CB 3.92Å; V70-I120 PolarHBondContact N-O 3.43Å; V70-N121 WeakPolarHBondContact CB-OD1 3.48Å; V70-L122 PolarHBondContact O-N 3.45Å; V70-T133 HydrophobicContact CG1-CG2 4.26Å; V70-I135 HydrophobicContact CG2-CD1 4.36Å; V70-I135 HydrophobicContact CG2-CG1 4.23Å; V70-I135 HydrophobicContact CG2-CG2 4.5Å
71L87.8Confident82.7Confident2 Ų234.8 Ų34.81%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-99.7109.9-178.318065.9000109.9L48 V52 F56 L69 L73 L122 V124 T133 L134L48-L71 HydrophobicContact CD2-CD2 4.44Å; V52-L71 HydrophobicContact CG2-CD2 4.36Å; F56-L71 HydrophobicContact CE2-CD1 4Å; F56-L71 HydrophobicContact CE2-CD2 4.33Å; F56-L71 HydrophobicContact CZ-CD1 4.1Å; F56-L71 HydrophobicContact CZ-CD2 3.76Å; L69-L71 PolarHBondContact O-N 2.88Å; L71-L73 HydrophobicContact CD1-CD2 3.9Å; L71-L73 HydrophobicContact CD2-CD2 3.94Å; L71-L73 HydrophobicContact CD2-CG 4.48Å; L71-L73 HydrophobicContact CG-CD2 3.71Å; L71-L73 HydrophobicContact CG-CG 4.29Å; L71-L122 WeakPolarHBondContact CA-O 3.46Å; L71-L122 HydrophobicContact CD1-CD2 4.01Å; L71-L122 HydrophobicContact CD1-CG 4.09Å; L71-V124 HydrophobicContact CD1-CG2 3.77Å; L71-T133 WeakPolarHBondContact O-CA 3.37Å; L71-L134 HydrophobicContact CB-CB 4.45Å; L71-L134 PolarHBondContact N-O 2.92Å; L71-L134 PolarHBondContact O-N 2.84Å
72Q85.3Confident84.1Confident10 Ų1030.6 Ų30.65%0.04718%0.177CC..EExtended strand (participates in β ladder)trans-96.7104.8173.3-71.8176.5-20.500109.3L122 R123 V124 T133Q72-L122 PolarHBondContact N-O 3.23Å; Q72-R123 HydrophobicContact CB-CG 4.03Å; Q72-R123 WeakPolarHBondContact O-CA 3.4Å; Q72-R123 VanDerWaalsContact OE1-CG 3.23Å; Q72-V124 PolarHBondContact O-N 2.81Å; Q72-T133 HydrophobicContact CG-CG2 4.07Å
73L83.3Confident85.1Confident1 Ų129.8 Ų29.81%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-84.8129.9171.1-54.4-172.4000109.3F51 V52 L71 V124 V129 L130 N131 L132 L134F51-L73 HydrophobicContact CB-CD1 4.21Å; V52-L73 HydrophobicContact CG2-CD1 4.29Å; V52-L73 HydrophobicContact CG2-CD2 3.58Å; L71-L73 HydrophobicContact CD1-CD2 3.9Å; L71-L73 HydrophobicContact CD2-CD2 3.94Å; L71-L73 HydrophobicContact CD2-CG 4.48Å; L71-L73 HydrophobicContact CG-CD2 3.71Å; L71-L73 HydrophobicContact CG-CG 4.29Å; L73-V124 HydrophobicContact CD2-CB 3.96Å; L73-V124 HydrophobicContact CD2-CG2 4.46Å; L73-V129 HydrophobicContact CB-CB 4.17Å; L73-V129 HydrophobicContact CB-CG2 4.04Å; L73-V129 HydrophobicContact CD1-CB 4.37Å; L73-V129 HydrophobicContact CD1-CG1 4.39Å; L73-L130 WeakPolarHBondContact CB-O 3.49Å; L73-N131 WeakPolarHBondContact O-CA 3.47Å; L73-L132 HydrophobicContact CB-CB 4.29Å; L73-L132 HydrophobicContact CD1-CB 4.43Å; L73-L132 PolarHBondContact N-O 3.11Å; L73-L132 PolarHBondContact O-N 3.43Å; L73-L134 HydrophobicContact CD1-CD1 4.06Å
74I82.4Confident85.8Confident30 Ų3032.1 Ų32.115%0.15418%0.18CC..EExtended strand (participates in β ladder)trans-131.7123.6-176.9-58.1173.1000108.7A76 R123 V124 Y125 S126 V129I74-A76 PolarHBondContact O-N 3.06Å; I74-R123 HydrophobicContact CD1-CG 4.41Å; I74-V124 PolarHBondContact N-O 2.91Å; I74-Y125 HydrophobicContact CB-CD1 3.81Å; I74-Y125 HydrophobicContact CB-CE1 3.98Å; I74-Y125 HydrophobicContact CB-CG 4.46Å; I74-Y125 HydrophobicContact CD1-CD1 4.27Å; I74-Y125 HydrophobicContact CD1-CE1 3.59Å; I74-Y125 HydrophobicContact CD1-CE2 4.43Å; I74-Y125 HydrophobicContact CG1-CE1 4.37Å; I74-Y125 HydrophobicContact CG2-CD1 3.72Å; I74-Y125 HydrophobicContact CG2-CE1 3.77Å; I74-Y125 VanDerWaalsContact O-CA 3.31Å; I74-Y125 WeakPolarHBondContact O-CA 3.37Å; I74-S126 PolarHBondContact O-N 3.36Å; I74-V129 WeakPolarHBondContact O-CG2 3.49Å
75S80.2Confident86.1Confident63 Ų6333.3 Ų33.344%0.44118%0.183SC..EExtended strand (participates in β ladder)trans-71.5123177.4-152.30000110.2S126 V129 N131S75-S126 WeakPolarHBondContact CA-O 3.47Å; S75-V129 WeakPolarHBondContact CB-O 3.41Å; S75-V129 PolarHBondContact OG-O 3.2Å; S75-N131 PolarHBondContact N-OD1 3.28Å
76A82.4Confident86.3Confident23 Ų2334.2 Ų34.219%0.1919%0.19CC..  trans-151.2157.3-174.100000112.6I74 A78 Y125 S126 P127I74-A76 PolarHBondContact O-N 3.06Å; A76-A78 PolarHBondContact O-N 3.42Å; A76-Y125 HydrophobicContact CB-CD1 4.14Å; A76-S126 PolarHBondContact N-O 2.97Å; A76-S126 CarbonylContact O-C 3.23Å; A76-S126 VanDerWaalsContact O-C 3.23Å; A76-P127 WeakPolarHBondContact O-CA 3.44Å; A76-P127 WeakPolarHBondContact O-CB 3.21Å; A76-P127 WeakPolarHBondContact O-CD 3.25Å
77N83.1Confident85.9Confident173 Ų17340.2 Ų40.293%0.92522%0.217SC*.SBendtrans-69.7-15.5-178.6-65.4-15.7000114.6
78A84.8Confident85.6Confident58 Ų5842.9 Ų42.948%0.47925%0.247SC..SBendtrans-133.3145.2-177.200000109.9A76A76-A78 PolarHBondContact O-N 3.42Å
79E87.9Confident85.6Confident46 Ų4647.4 Ų47.422%0.21527%0.267CS..  trans-95.6119.9-176.9-171.6165.1-97.500111.6R54 F94 Y125 S126R54-E79 IonicContact CZ-OE2 2.7Å; R54-E79 IonicContact NE-OE2 2.78Å; R54-E79 PolarHBondContact NE-OE2 3.18Å; R54-E79 IonicContact NH2-OE2 3.16Å; R54-E79 PolarHBondContact NH2-OE2 3Å; E79-F94 HydrophobicContact CG-CE2 3.81Å; E79-F94 HydrophobicContact CG-CZ 3.92Å; E79-Y125 CarbonylContact C-O 3.6Å; E79-Y125 VanDerWaalsContact CA-O 3.24Å; E79-Y125 WeakPolarHBondContact CA-O 3.24Å; E79-S126 WeakPolarHBondContact OE1-CB 3.43Å; E79-S126 PolarHBondContact OE1-OG 3.11Å
80W92.6Very high85.7Confident44 Ų4453.2 Ų53.217%0.16729%0.291CS..EExtended strand (participates in β ladder)trans-167.2166178.959.2-76000111E82 K90 F91 T92 Y125W80-E82 HydrophobicContact CE3-CB 4.32Å; W80-E82 HydrophobicContact CZ3-CB 3.77Å; W80-K90 HydrophobicContact CD2-CD 4.04Å; W80-K90 HydrophobicContact CD2-CG 4.35Å; W80-K90 HydrophobicContact CE3-CB 3.99Å; W80-K90 HydrophobicContact CE3-CD 3.79Å; W80-K90 HydrophobicContact CE3-CG 3.63Å; W80-K90 HydrophobicContact CH2-CD 4.43Å; W80-K90 HydrophobicContact CZ3-CD 3.99Å; W80-K90 HydrophobicContact CZ3-CG 3.79Å; W80-F91 CarbonylContact C-O 3.46Å; W80-F91 VanDerWaalsContact CA-O 3.28Å; W80-F91 WeakPolarHBondContact CA-O 3.48Å; W80-F91 WeakPolarHBondContact CB-O 3.49Å; W80-T92 HydrophobicContact CB-CG2 4.43Å; W80-Y125 AromaticContact CD2-CD2 3.71Å; W80-Y125 HydrophobicContact CD2-CD2 3.71Å; W80-Y125 HydrophobicContact CD2-CE2 4.42Å; W80-Y125 HydrophobicContact CD2-CG 4.14Å; W80-Y125 AromaticContact CE2-CD2 3.47Å; W80-Y125 VanDerWaalsContact CE2-CD2 3.47Å; W80-Y125 AromaticContact CE2-CG 3.55Å; W80-Y125 AromaticContact CE3-CD2 3.79Å; W80-Y125 HydrophobicContact CE3-CD2 3.79Å; W80-Y125 HydrophobicContact CE3-CE2 4.14Å; W80-Y125 AromaticContact CH2-CD2 3.48Å; W80-Y125 HydrophobicContact CH2-CD2 3.48Å; W80-Y125 VanDerWaalsContact CH2-CD2 3.48Å; W80-Y125 HydrophobicContact CH2-CE1 4.31Å; W80-Y125 AromaticContact CH2-CE2 3.2Å; W80-Y125 HydrophobicContact CH2-CE2 3.2Å; W80-Y125 HydrophobicContact CH2-CG 4.16Å; W80-Y125 AromaticContact CH2-CZ 3.67Å; W80-Y125 AromaticContact CZ2-CD1 3.9Å; W80-Y125 HydrophobicContact CZ2-CD1 3.9Å; W80-Y125 AromaticContact CZ2-CD2 3.37Å; W80-Y125 HydrophobicContact CZ2-CD2 3.37Å; W80-Y125 HydrophobicContact CZ2-CE1 4.01Å; W80-Y125 AromaticContact CZ2-CE2 3.52Å; W80-Y125 HydrophobicContact CZ2-CE2 3.52Å; W80-Y125 AromaticContact CZ2-CG 3.58Å; W80-Y125 HydrophobicContact CZ2-CG 3.58Å; W80-Y125 AromaticContact CZ2-CZ 3.84Å; W80-Y125 AromaticContact CZ3-CD2 3.68Å; W80-Y125 HydrophobicContact CZ3-CD2 3.68Å; W80-Y125 AromaticContact CZ3-CE2 3.55Å; W80-Y125 HydrophobicContact CZ3-CE2 3.55Å; W80-Y125 PolarHBondContact N-O 2.88Å; W80-Y125 AromaticContact NE1-CG 3.77Å; W80-Y125 PolarHBondContact O-N 2.68Å
81A91.8Very high86Confident0 Ų052.7 Ų52.70%029%0.288CS..EExtended strand (participates in β ladder)trans-130.7158.3177.100000113.2F91 V97 L122 R123 V124A81-F91 HydrophobicContact CB-CB 4.37Å; A81-F91 PolarHBondContact N-O 2.92Å; A81-F91 PolarHBondContact O-N 2.72Å; A81-V97 HydrophobicContact CB-CG2 3.86Å; A81-L122 HydrophobicContact CB-CD1 4Å; A81-R123 CarbonylContact C-O 3.54Å; A81-R123 WeakPolarHBondContact CA-O 3.43Å; A81-R123 VanDerWaalsContact CB-O 3.29Å; A81-R123 WeakPolarHBondContact CB-O 3.42Å; A81-V124 HydrophobicContact CB-CG2 4.23Å
82E91.4Very high86.1Confident34 Ų3457.8 Ų57.816%0.15932%0.32CS..EExtended strand (participates in β ladder)trans-146.9140.6176.2171175.1-148.900110.6W80 K87 G88 R123W80-E82 HydrophobicContact CE3-CB 4.32Å; W80-E82 HydrophobicContact CZ3-CB 3.77Å; E82-K87 WeakPolarHBondContact OE1-CA 3.37Å; E82-G88 PolarHBondContact OE1-N 3.03Å; E82-R123 PolarHBondContact N-O 3.04Å; E82-R123 PolarHBondContact O-N 3.06Å
83F88.6Confident86.4Confident1 Ų161 Ų610%0.00434%0.337CS..EExtended strand (participates in β ladder)trans-102.6145.7175.2-67.9-91.8000111.6H85 C86 K87 F91 V97 E100 I101 I120 N121 L122F83-H85 VanDerWaalsContact CB-CE1 3.45Å; F83-H85 WeakPolarHBondContact CB-CE1 3.42Å; F83-H85 AromaticContact CD1-CE1 3.51Å; F83-H85 AromaticContact CG-CE1 3.59Å; F83-H85 PolarHBondContact O-N 2.98Å; F83-C86 HydrophobicContact CB-CB 4.33Å; F83-C86 CarbonylContact O-C 3.59Å; F83-C86 PolarHBondContact O-N 3.46Å; F83-K87 PolarHBondContact O-N 3.21Å; F83-F91 HydrophobicContact CD2-CD2 4.1Å; F83-F91 AromaticContact CD2-CE2 3.62Å; F83-F91 HydrophobicContact CD2-CE2 3.62Å; F83-F91 AromaticContact CD2-CZ 3.88Å; F83-F91 HydrophobicContact CD2-CZ 3.88Å; F83-F91 HydrophobicContact CE2-CD2 4.33Å; F83-F91 HydrophobicContact CE2-CE1 4.31Å; F83-F91 HydrophobicContact CE2-CE2 4.07Å; F83-F91 HydrophobicContact CE2-CZ 4.04Å; F83-V97 HydrophobicContact CE2-CG1 4.16Å; F83-V97 HydrophobicContact CZ-CG1 3.82Å; F83-E100 HydrophobicContact CD2-CG 3.75Å; F83-E100 HydrophobicContact CE1-CG 4.37Å; F83-E100 HydrophobicContact CE2-CB 3.8Å; F83-E100 HydrophobicContact CE2-CG 3.43Å; F83-E100 VanDerWaalsContact CE2-CG 3.43Å; F83-E100 HydrophobicContact CG-CG 4.35Å; F83-E100 HydrophobicContact CZ-CB 3.96Å; F83-E100 HydrophobicContact CZ-CG 3.76Å; F83-I101 HydrophobicContact CE1-CG1 3.77Å; F83-I101 HydrophobicContact CZ-CD1 4.49Å; F83-I101 HydrophobicContact CZ-CG1 3.79Å; F83-I120 HydrophobicContact CD1-CG2 3.92Å; F83-I120 HydrophobicContact CE1-CG2 4.01Å; F83-N121 WeakPolarHBondContact CA-O 3.27Å; F83-L122 HydrophobicContact CD1-CB 4.11Å; F83-L122 HydrophobicContact CD1-CD1 3.97Å; F83-L122 HydrophobicContact CD2-CD1 4.18Å; F83-L122 HydrophobicContact CE1-CB 4.02Å; F83-L122 HydrophobicContact CE1-CD1 3.75Å; F83-L122 HydrophobicContact CE1-CD2 4.19Å; F83-L122 HydrophobicContact CE1-CG 4.2Å; F83-L122 HydrophobicContact CE2-CD1 3.95Å; F83-L122 HydrophobicContact CG-CD1 4.2Å; F83-L122 HydrophobicContact CZ-CD1 3.74Å; F83-L122 HydrophobicContact CZ-CD2 4.3Å; F83-L122 HydrophobicContact CZ-CG 4.49Å
84L83.3Confident86.6Confident66 Ų6661.5 Ų61.535%0.34634%0.339SS..THydrogen-bonded Turntrans-62.7-27177.8-170.869.6000113.2K87 N121L84-K87 WeakPolarHBondContact O-CE 3Å; L84-K87 VanDerWaalsContact O-CG 3.31Å; L84-K87 WeakPolarHBondContact O-CG 3.38Å; L84-N121 HydrophobicContact CB-CB 3.67Å; L84-N121 HydrophobicContact CD2-CB 4.02Å; L84-N121 HydrophobicContact CG-CB 4.48Å; L84-N121 PolarHBondContact N-O 3.03Å; L84-N121 VanDerWaalsContact N-O 3.08Å
85H81.6Confident86.9Confident69 Ų6963.2 Ų63.232%0.31935%0.349SS..THydrogen-bonded Turntrans-86-11.5176.564.8-84.5000113.9F83 E100F83-H85 VanDerWaalsContact CB-CE1 3.45Å; F83-H85 WeakPolarHBondContact CB-CE1 3.42Å; F83-H85 AromaticContact CD1-CE1 3.51Å; F83-H85 AromaticContact CG-CE1 3.59Å; F83-H85 PolarHBondContact O-N 2.98Å; H85-E100 IonicContact CD2-OE1 3.46Å; H85-E100 IonicContact CE1-OE1 2.78Å; H85-E100 IonicContact NE2-OE1 3.83Å; H85-E100 PolarHBondContact NE2-OE1 3.42Å
86C84.4Confident87.4Confident36 Ų3664.2 Ų64.224%0.24335%0.346CS..SBendtrans-123.445178.1-67.80000112.1F83 G88 K89 F91F83-C86 HydrophobicContact CB-CB 4.33Å; F83-C86 CarbonylContact O-C 3.59Å; F83-C86 PolarHBondContact O-N 3.46Å; C86-G88 PolarHBondContact O-N 3.35Å; C86-K89 HydrophobicContact CB-CB 4.41Å; C86-K89 PolarHBondContact O-N 3.15Å; C86-F91 HydrophobicContact CB-CE2 4.44Å
87K78.1Confident87.9Confident157 Ų15763.1 Ų63.168%0.68334%0.337SS*.THydrogen-bonded Turntrans-50130.9-177.5-62.8-173.3177.6178.20112E82 F83 L84 K89E82-K87 WeakPolarHBondContact OE1-CA 3.37Å; F83-K87 PolarHBondContact O-N 3.21Å; L84-K87 WeakPolarHBondContact O-CE 3Å; L84-K87 VanDerWaalsContact O-CG 3.31Å; L84-K87 WeakPolarHBondContact O-CG 3.38Å; K87-K89 VanDerWaalsContact C-N 3.34Å
88G80.4Confident88.3Confident65 Ų6557.2 Ų57.267%0.6730%0.302SS*.THydrogen-bonded Turntrans87.6-15.5-17900000115.2E82 C86E82-G88 PolarHBondContact OE1-N 3.03Å; C86-G88 PolarHBondContact O-N 3.35Å
89K90.8Very high88.5Confident95 Ų9560.6 Ų60.641%0.41331%0.308SS..  trans-83.4115.5169.9-173.5-176.3171.8-160.70109.3C86 K87 F91 E96C86-K89 HydrophobicContact CB-CB 4.41Å; C86-K89 PolarHBondContact O-N 3.15Å; K87-K89 VanDerWaalsContact C-N 3.34Å; K89-F91 HydrophobicContact CB-CE2 4.17Å; K89-F91 HydrophobicContact CD-CD2 4.38Å; K89-F91 HydrophobicContact CD-CE1 4.17Å; K89-F91 HydrophobicContact CD-CE2 3.68Å; K89-F91 HydrophobicContact CD-CZ 3.58Å; K89-F91 HydrophobicContact CG-CD2 4.24Å; K89-F91 HydrophobicContact CG-CE2 3.86Å; K89-F91 HydrophobicContact CG-CZ 4.29Å; K89-E96 IonicContact NZ-OE2 2.78Å; K89-E96 PolarHBondContact NZ-OE2 3.15Å
90K92.4Very high88.8Confident130 Ų13060.8 Ų60.857%0.56531%0.309SS*.  trans-91.8121.4171.7-61.3-170.3176.2-176.70110W80W80-K90 HydrophobicContact CD2-CD 4.04Å; W80-K90 HydrophobicContact CD2-CG 4.35Å; W80-K90 HydrophobicContact CE3-CB 3.99Å; W80-K90 HydrophobicContact CE3-CD 3.79Å; W80-K90 HydrophobicContact CE3-CG 3.63Å; W80-K90 HydrophobicContact CH2-CD 4.43Å; W80-K90 HydrophobicContact CZ3-CD 3.99Å; W80-K90 HydrophobicContact CZ3-CG 3.79Å
91F92.8Very high88.8Confident3 Ų359 Ų591%0.01330%0.303CS..BIsolated β-bridgetrans-91.7124.6173.9-64.8-108000108.5W80 A81 F83 C86 K89 E96 V97 E100W80-F91 CarbonylContact C-O 3.46Å; W80-F91 VanDerWaalsContact CA-O 3.28Å; W80-F91 WeakPolarHBondContact CA-O 3.48Å; W80-F91 WeakPolarHBondContact CB-O 3.49Å; A81-F91 HydrophobicContact CB-CB 4.37Å; A81-F91 PolarHBondContact N-O 2.92Å; A81-F91 PolarHBondContact O-N 2.72Å; F83-F91 HydrophobicContact CD2-CD2 4.1Å; F83-F91 AromaticContact CD2-CE2 3.62Å; F83-F91 HydrophobicContact CD2-CE2 3.62Å; F83-F91 AromaticContact CD2-CZ 3.88Å; F83-F91 HydrophobicContact CD2-CZ 3.88Å; F83-F91 HydrophobicContact CE2-CD2 4.33Å; F83-F91 HydrophobicContact CE2-CE1 4.31Å; F83-F91 HydrophobicContact CE2-CE2 4.07Å; F83-F91 HydrophobicContact CE2-CZ 4.04Å; C86-F91 HydrophobicContact CB-CE2 4.44Å; K89-F91 HydrophobicContact CB-CE2 4.17Å; K89-F91 HydrophobicContact CD-CD2 4.38Å; K89-F91 HydrophobicContact CD-CE1 4.17Å; K89-F91 HydrophobicContact CD-CE2 3.68Å; K89-F91 HydrophobicContact CD-CZ 3.58Å; K89-F91 HydrophobicContact CG-CD2 4.24Å; K89-F91 HydrophobicContact CG-CE2 3.86Å; K89-F91 HydrophobicContact CG-CZ 4.29Å; F91-E96 HydrophobicContact CD1-CB 3.9Å; F91-E96 HydrophobicContact CE1-CB 4.43Å; F91-V97 HydrophobicContact CB-CG2 3.61Å; F91-V97 HydrophobicContact CD1-CG2 4.24Å; F91-V97 HydrophobicContact CG-CG2 4.12Å; F91-E100 HydrophobicContact CE1-CB 4.02Å; F91-E100 HydrophobicContact CE1-CG 4.12Å; F91-E100 HydrophobicContact CZ-CB 4.32Å; F91-E100 HydrophobicContact CZ-CG 3.89Å
92T91.4Very high88.7Confident110 Ų11062.3 Ų62.368%0.67532%0.318SS*.  trans-108.2-20.2175.751.40000112.7W80W80-T92 HydrophobicContact CB-CG2 4.43Å
93D90.4Very high88.6Confident77 Ų7762.7 Ų62.741%0.41233%0.331SS..  trans-95.5128.7168.9-168.2-13.1000109.7D95 E96 V97D93-D95 WeakPolarHBondContact OD1-CB 3.31Å; D93-D95 PolarHBondContact OD1-N 2.67Å; D93-E96 HydrophobicContact CB-CB 4.42Å; D93-E96 HydrophobicContact CB-CG 4.2Å; D93-E96 PolarHBondContact O-N 2.7Å; D93-V97 PolarHBondContact O-N 2.93Å
94F88.4Confident88.6Confident12 Ų1263.2 Ų63.25%0.05333%0.334CS..Hα-helixtrans-82.9-15178-74.4-92.5000113V52 R54 F56 E79 V97 R98 V124V52-F94 HydrophobicContact CG1-CE1 4.23Å; R54-F94 HydrophobicContact CB-CB 4.36Å; R54-F94 HydrophobicContact CB-CD1 4.07Å; R54-F94 HydrophobicContact CB-CD2 4.19Å; R54-F94 HydrophobicContact CB-CE1 4.39Å; R54-F94 HydrophobicContact CB-CG 3.94Å; R54-F94 HydrophobicContact CG-CD1 4.37Å; R54-F94 HydrophobicContact CG-CD2 3.79Å; R54-F94 HydrophobicContact CG-CE1 4.37Å; R54-F94 HydrophobicContact CG-CE2 3.81Å; R54-F94 HydrophobicContact CG-CG 4.07Å; R54-F94 HydrophobicContact CG-CZ 4.1Å; F56-F94 HydrophobicContact CB-CB 4.02Å; F56-F94 HydrophobicContact CB-CD1 3.71Å; F56-F94 HydrophobicContact CB-CG 4.34Å; F56-F94 HydrophobicContact CG-CD1 4.25Å; E79-F94 HydrophobicContact CG-CE2 3.81Å; E79-F94 HydrophobicContact CG-CZ 3.92Å; F94-V97 HydrophobicContact CD1-CG2 4.33Å; F94-V97 PolarHBondContact O-N 3.45Å; F94-R98 PolarHBondContact O-N 3.49Å; F94-V124 HydrophobicContact CE1-CG1 3.81Å; F94-V124 HydrophobicContact CE1-CG2 4.39Å; F94-V124 HydrophobicContact CZ-CG1 3.93Å
95D88.3Confident88.9Confident65 Ų6560.5 Ų60.535%0.34832%0.32SS..Hα-helixtrans-69.7-35.2167-75-27.9000110.5D93 R98 Q99D93-D95 WeakPolarHBondContact OD1-CB 3.31Å; D93-D95 PolarHBondContact OD1-N 2.67Å; D95-R98 PolarHBondContact O-N 3.25Å; D95-R98 IonicContact OD1-CZ 2.72Å; D95-R98 IonicContact OD1-NH1 2.67Å; D95-R98 PolarHBondContact OD1-NH1 3.24Å; D95-R98 IonicContact OD1-NH2 3.7Å; D95-R98 PolarHBondContact OD1-NH2 2.98Å; D95-Q99 WeakPolarHBondContact O-CG 3.48Å; D95-Q99 PolarHBondContact O-N 3.36Å; D95-Q99 VanDerWaalsContact O-N 3.11Å
96E91.3Very high89.2Confident85 Ų8560.2 Ų60.240%0.39732%0.321SS..Hα-helixtrans-64.5-41.7168.3-73.9-170.2-153.600111.9K89 F91 D93 R98 Q99 E100K89-E96 IonicContact NZ-OE2 2.78Å; K89-E96 PolarHBondContact NZ-OE2 3.15Å; F91-E96 HydrophobicContact CD1-CB 3.9Å; F91-E96 HydrophobicContact CE1-CB 4.43Å; D93-E96 HydrophobicContact CB-CB 4.42Å; D93-E96 HydrophobicContact CB-CG 4.2Å; D93-E96 PolarHBondContact O-N 2.7Å; E96-R98 VanDerWaalsContact C-N 3.27Å; E96-R98 PolarHBondContact O-N 3.1Å; E96-Q99 PolarHBondContact O-N 3.06Å; E96-E100 WeakPolarHBondContact O-CB 3.37Å; E96-E100 PolarHBondContact O-N 2.71Å
97V92.6Very high89.3Confident0 Ų067.1 Ų67.10%034%0.341CS..Hα-helixtrans-59.1-40.3176.3175.80000110.8F56 A81 F83 F91 D93 F94 E100 I101 L122F56-V97 HydrophobicContact CB-CG1 4.27Å; F56-V97 HydrophobicContact CD2-CG1 4.23Å; A81-V97 HydrophobicContact CB-CG2 3.86Å; F83-V97 HydrophobicContact CE2-CG1 4.16Å; F83-V97 HydrophobicContact CZ-CG1 3.82Å; F91-V97 HydrophobicContact CB-CG2 3.61Å; F91-V97 HydrophobicContact CD1-CG2 4.24Å; F91-V97 HydrophobicContact CG-CG2 4.12Å; D93-V97 PolarHBondContact O-N 2.93Å; F94-V97 HydrophobicContact CD1-CG2 4.33Å; F94-V97 PolarHBondContact O-N 3.45Å; V97-E100 PolarHBondContact O-N 3.06Å; V97-I101 HydrophobicContact CG1-CD1 4.2Å; V97-I101 WeakPolarHBondContact O-CG1 3.49Å; V97-I101 PolarHBondContact O-N 2.89Å; V97-L122 HydrophobicContact CG1-CD1 4.19Å; V97-L122 HydrophobicContact CG1-CD2 3.82Å
98R90.8Very high89.7Confident49 Ų4962.8 Ų62.819%0.18533%0.328CS..Hα-helixtrans-63.2-49.9175.9-166.3-175.2-49.9108.212.9111.8D55 F56 L57 F94 D95 E96 E100 I101 E102D55-R98 PolarHBondContact O-NH2 3.07Å; F56-R98 VanDerWaalsContact O-CA 3.31Å; F56-R98 WeakPolarHBondContact O-CA 3.42Å; F56-R98 WeakPolarHBondContact O-CB 3.29Å; L57-R98 VanDerWaalsContact O-CD 3.27Å; L57-R98 WeakPolarHBondContact O-CD 3.33Å; L57-R98 PolarHBondContact O-NE 3.22Å; F94-R98 PolarHBondContact O-N 3.49Å; D95-R98 PolarHBondContact O-N 3.25Å; D95-R98 IonicContact OD1-CZ 2.72Å; D95-R98 IonicContact OD1-NH1 2.67Å; D95-R98 PolarHBondContact OD1-NH1 3.24Å; D95-R98 IonicContact OD1-NH2 3.7Å; D95-R98 PolarHBondContact OD1-NH2 2.98Å; E96-R98 VanDerWaalsContact C-N 3.27Å; E96-R98 PolarHBondContact O-N 3.1Å; R98-E100 VanDerWaalsContact C-N 3.29Å; R98-E100 PolarHBondContact O-N 3.27Å; R98-I101 PolarHBondContact O-N 3.18Å; R98-E102 WeakPolarHBondContact O-CG 3.37Å; R98-E102 PolarHBondContact O-N 3.25Å
99Q90.2Very high89.8Confident129 Ų12960.9 Ų60.960%0.60330%0.304SS*.Hα-helixtrans-61.4-37.2179.1-69.8172.728.200112D95 E96 E102 G103D95-Q99 WeakPolarHBondContact O-CG 3.48Å; D95-Q99 PolarHBondContact O-N 3.36Å; D95-Q99 VanDerWaalsContact O-N 3.11Å; E96-Q99 PolarHBondContact O-N 3.06Å; Q99-E102 PolarHBondContact O-N 3.45Å; Q99-G103 PolarHBondContact O-N 3.13Å
100E93.5Very high89.2Confident49 Ų4957.9 Ų57.923%0.22930%0.3CS..Hα-helixtrans-66.3-40.5175.1-176.764.3-141.900112F83 H85 F91 E96 V97 R98 E102 E104F83-E100 HydrophobicContact CD2-CG 3.75Å; F83-E100 HydrophobicContact CE1-CG 4.37Å; F83-E100 HydrophobicContact CE2-CB 3.8Å; F83-E100 HydrophobicContact CE2-CG 3.43Å; F83-E100 VanDerWaalsContact CE2-CG 3.43Å; F83-E100 HydrophobicContact CG-CG 4.35Å; F83-E100 HydrophobicContact CZ-CB 3.96Å; F83-E100 HydrophobicContact CZ-CG 3.76Å; H85-E100 IonicContact CD2-OE1 3.46Å; H85-E100 IonicContact CE1-OE1 2.78Å; H85-E100 IonicContact NE2-OE1 3.83Å; H85-E100 PolarHBondContact NE2-OE1 3.42Å; F91-E100 HydrophobicContact CE1-CB 4.02Å; F91-E100 HydrophobicContact CE1-CG 4.12Å; F91-E100 HydrophobicContact CZ-CB 4.32Å; F91-E100 HydrophobicContact CZ-CG 3.89Å; E96-E100 WeakPolarHBondContact O-CB 3.37Å; E96-E100 PolarHBondContact O-N 2.71Å; V97-E100 PolarHBondContact O-N 3.06Å; R98-E100 VanDerWaalsContact C-N 3.29Å; R98-E100 PolarHBondContact O-N 3.27Å; E100-E102 VanDerWaalsContact C-N 3.35Å; E100-E102 PolarHBondContact O-N 3.14Å; E100-E104 WeakPolarHBondContact O-CB 3.38Å; E100-E104 PolarHBondContact O-N 2.9Å
101I91.5Very high88.3Confident8 Ų855.6 Ų55.64%0.04131%0.305CS..Hα-helixtrans-62.2-43.1173.7-67162.1000110.8F56 L57 P58 L69 F83 V97 R98 T105 I120 L122F56-I101 HydrophobicContact CD2-CD1 4.31Å; L57-I101 HydrophobicContact CD2-CD1 4.36Å; P58-I101 HydrophobicContact CG-CB 4.32Å; P58-I101 HydrophobicContact CG-CG2 3.72Å; L69-I101 HydrophobicContact CD2-CD1 4.24Å; F83-I101 HydrophobicContact CE1-CG1 3.77Å; F83-I101 HydrophobicContact CZ-CD1 4.49Å; F83-I101 HydrophobicContact CZ-CG1 3.79Å; V97-I101 HydrophobicContact CG1-CD1 4.2Å; V97-I101 WeakPolarHBondContact O-CG1 3.49Å; V97-I101 PolarHBondContact O-N 2.89Å; R98-I101 PolarHBondContact O-N 3.18Å; I101-T105 VanDerWaalsContact O-CB 3.23Å; I101-T105 WeakPolarHBondContact O-CB 3.45Å; I101-T105 PolarHBondContact O-N 3.44Å; I101-T105 PolarHBondContact O-OG1 2.81Å; I101-I120 HydrophobicContact CG2-CD1 4.47Å; I101-L122 HydrophobicContact CD1-CD2 4.08Å
102E89.6Confident87.1Confident68 Ų6860.9 Ų60.932%0.31833%0.333SS..Hα-helixtrans-64.8-50.9178.5-67.9174.6179.800110.8P58 R98 Q99 E100 T105 D106P58-E102 WeakPolarHBondContact CA-OE1 3.42Å; P58-E102 HydrophobicContact CB-CG 3.86Å; P58-E102 VanDerWaalsContact CB-OE1 3.31Å; P58-E102 WeakPolarHBondContact CB-OE1 3.42Å; P58-E102 HydrophobicContact CG-CG 3.7Å; R98-E102 WeakPolarHBondContact O-CG 3.37Å; R98-E102 PolarHBondContact O-N 3.25Å; Q99-E102 PolarHBondContact O-N 3.45Å; E100-E102 VanDerWaalsContact C-N 3.35Å; E100-E102 PolarHBondContact O-N 3.14Å; E102-T105 WeakPolarHBondContact O-CB 3.39Å; E102-T105 PolarHBondContact O-N 3.42Å; E102-T105 VanDerWaalsContact O-N 3.17Å; E102-D106 PolarHBondContact O-N 2.67Å
103G89.3Confident86.1Confident42 Ų4259.3 Ų59.343%0.43332%0.317SS..Hα-helixtrans-62-44178.700000113.7Q99 T105 D106 R107Q99-G103 PolarHBondContact O-N 3.13Å; G103-T105 VanDerWaalsContact C-N 3.29Å; G103-T105 PolarHBondContact O-N 2.97Å; G103-D106 PolarHBondContact O-N 3.23Å; G103-R107 VanDerWaalsContact O-CB 3.3Å; G103-R107 WeakPolarHBondContact O-CB 3.46Å; G103-R107 PolarHBondContact O-N 3.33Å
104E89.3Confident85.6Confident13 Ų1356.6 Ų56.66%0.06131%0.308CS..Hα-helixtrans-68.3-29.4175.7174.652.3-157.500112.2R67 E100 R107 I120R67-E104 IonicContact CZ-OE1 2.68Å; R67-E104 PolarHBondContact NH1-O 3.17Å; R67-E104 IonicContact NH1-OE1 3.34Å; R67-E104 PolarHBondContact NH1-OE1 3.32Å; R67-E104 IonicContact NH2-OE1 3.46Å; E100-E104 WeakPolarHBondContact O-CB 3.38Å; E100-E104 PolarHBondContact O-N 2.9Å; E104-R107 VanDerWaalsContact CD-NH2 3.34Å; E104-R107 IonicContact OE1-NH2 3.78Å; E104-R107 PolarHBondContact OE1-NH2 3.29Å; E104-R107 IonicContact OE2-CZ 3.75Å; E104-R107 IonicContact OE2-NE 3.33Å; E104-R107 PolarHBondContact OE2-NE 3.47Å; E104-R107 IonicContact OE2-NH2 2.62Å; E104-R107 PolarHBondContact OE2-NH2 3.18Å; E104-I120 HydrophobicContact CB-CD1 4.34Å; E104-I120 HydrophobicContact CG-CD1 3.92Å; E104-I120 HydrophobicContact CG-CG1 4.08Å
105T89.1Confident85.4Confident9 Ų957.3 Ų57.36%0.05531%0.311CS..Hα-helixtrans-67.2-55171.5-62.90000110.5R66 R67 I101 E102 G103 R107 V108 T109R66-T105 HydrophobicContact CB-CG2 3.77Å; R67-T105 HydrophobicContact CG-CG2 4.36Å; I101-T105 VanDerWaalsContact O-CB 3.23Å; I101-T105 WeakPolarHBondContact O-CB 3.45Å; I101-T105 PolarHBondContact O-N 3.44Å; I101-T105 PolarHBondContact O-OG1 2.81Å; E102-T105 WeakPolarHBondContact O-CB 3.39Å; E102-T105 PolarHBondContact O-N 3.42Å; E102-T105 VanDerWaalsContact O-N 3.17Å; G103-T105 VanDerWaalsContact C-N 3.29Å; G103-T105 PolarHBondContact O-N 2.97Å; T105-R107 VanDerWaalsContact C-N 3.28Å; T105-R107 PolarHBondContact O-N 3.37Å; T105-V108 PolarHBondContact O-N 3.49Å; T105-T109 HydrophobicContact CG2-CG2 4.36Å; T105-T109 PolarHBondContact O-N 3.24Å; T105-T109 PolarHBondContact O-OG1 3.42Å; T105-T109 VanDerWaalsContact O-OG1 3.09Å
106D87.9Confident85.2Confident63 Ų6355 Ų5534%0.33730%0.3SS..Hα-helixtrans-63.3-31.4-178.4-75-36.1000113R66 E102 G103 V108 G110R66-D106 IonicContact CZ-OD1 3.69Å; R66-D106 IonicContact NH1-OD1 2.73Å; R66-D106 PolarHBondContact NH1-OD1 3.33Å; R66-D106 IonicContact NH2-OD1 2.71Å; R66-D106 PolarHBondContact NH2-OD1 2.75Å; R66-D106 IonicContact NH2-OD2 3.97Å; E102-D106 PolarHBondContact O-N 2.67Å; G103-D106 PolarHBondContact O-N 3.23Å; D106-V108 PolarHBondContact O-N 3.13Å; D106-G110 WeakPolarHBondContact O-CA 3.49Å; D106-G110 PolarHBondContact O-N 2.85Å
107R87.8Confident84.6Confident180 Ų18054 Ų5468%0.67930%0.302SS*.Hα-helixtrans-59.1-30.3173.7-171.5173.273.5125.62.5113.2G103 E104 T105G103-R107 VanDerWaalsContact O-CB 3.3Å; G103-R107 WeakPolarHBondContact O-CB 3.46Å; G103-R107 PolarHBondContact O-N 3.33Å; E104-R107 VanDerWaalsContact CD-NH2 3.34Å; E104-R107 IonicContact OE1-NH2 3.78Å; E104-R107 PolarHBondContact OE1-NH2 3.29Å; E104-R107 IonicContact OE2-CZ 3.75Å; E104-R107 IonicContact OE2-NE 3.33Å; E104-R107 PolarHBondContact OE2-NE 3.47Å; E104-R107 IonicContact OE2-NH2 2.62Å; E104-R107 PolarHBondContact OE2-NH2 3.18Å; T105-R107 VanDerWaalsContact C-N 3.28Å; T105-R107 PolarHBondContact O-N 3.37Å
108V85Confident84Confident67 Ų6757.8 Ų57.841%0.40632%0.324SS..Hα-helixtrans-104-39.1-177174.20000112.6R67 T105 D106R67-V108 VanDerWaalsContact NH1-CG2 3.27Å; T105-V108 PolarHBondContact O-N 3.49Å; D106-V108 PolarHBondContact O-N 3.13Å
109T82.7Confident83.7Confident25 Ų2557.8 Ų57.815%0.15333%0.33CS..Hα-helixtrans-91.4-12.5-178.364.10000113.8R66 R67 T105 G114R66-T109 PolarHBondContact NH1-OG1 3.35Å; R66-T109 VanDerWaalsContact NH1-OG1 3.15Å; R67-T109 HydrophobicContact CG-CG2 4.08Å; T105-T109 HydrophobicContact CG2-CG2 4.36Å; T105-T109 PolarHBondContact O-N 3.24Å; T105-T109 PolarHBondContact O-OG1 3.42Å; T105-T109 VanDerWaalsContact O-OG1 3.09Å; T109-G114 WeakPolarHBondContact CB-O 3.11Å; T109-G114 WeakPolarHBondContact CG2-O 3.34Å
110G79.2Confident83.6Confident32 Ų3251.8 Ų51.833%0.3330%0.303SS..  trans66.2174.9-161.400000112.4R66 D106 N112R66-G110 PolarHBondContact NH1-O 3.38Å; D106-G110 WeakPolarHBondContact O-CA 3.49Å; D106-G110 PolarHBondContact O-N 2.85Å; G110-N112 VanDerWaalsContact C-N 3.26Å; G110-N112 PolarHBondContact O-N 3.43Å
111A72.3Confident83.3Confident81 Ų8151.8 Ų51.867%0.66930%0.304SS*.SBendtrans-72.6-13.8178.700000114.1K113A111-K113 PolarHBondContact O-N 3.06Å
112N68.3Low83.1Confident114 Ų11451.4 Ų51.461%0.6130%0.302SS*.SBendtrans-77.432.7-170.4-63.96.7000114.1G110 G114G110-N112 VanDerWaalsContact C-N 3.26Å; G110-N112 PolarHBondContact O-N 3.43Å; N112-G114 PolarHBondContact O-N 3.42Å
113K71.4Confident83.1Confident77 Ų7750.5 Ų50.534%0.33530%0.296SS..  trans5416.4178-60.8176.5176171.30116.2A111 Q148A111-K113 PolarHBondContact O-N 3.06Å; K113-Q148 HydrophobicContact CB-CG 3.95Å
114G78.6Confident83.1Confident21 Ų2148.5 Ų48.522%0.21628%0.275CS..  trans-64.3162.7175.800000112.5R66 T109 N112R66-G114 WeakPolarHBondContact CD-O 3.38Å; T109-G114 WeakPolarHBondContact CB-O 3.11Å; T109-G114 WeakPolarHBondContact CG2-O 3.34Å; N112-G114 PolarHBondContact O-N 3.42Å
115I85.4Confident83Confident26 Ų2649.7 Ų49.713%0.13328%0.28CS..  trans-113.4157.3175.954.8159.9000110.4R66 I152 Q155 I156 M159R66-I115 HydrophobicContact CB-CG2 4.34Å; R66-I115 VanDerWaalsContact O-CA 3.26Å; R66-I115 WeakPolarHBondContact O-CA 3.39Å; R66-I115 WeakPolarHBondContact O-CB 3.41Å; I115-I152 HydrophobicContact CD1-CD1 3.82Å; I115-I152 HydrophobicContact CG1-CD1 3.73Å; I115-I152 HydrophobicContact CG2-CD1 4.08Å; I115-Q155 HydrophobicContact CD1-CB 3.61Å; I115-I156 HydrophobicContact CD1-CG1 3.77Å; I115-M159 HydrophobicContact CB-CE 4.09Å; I115-M159 HydrophobicContact CD1-CE 3.72Å; I115-M159 HydrophobicContact CG1-CE 4.26Å
116S84.1Confident82.7Confident16 Ų1649.3 Ų49.311%0.11228%0.277CS..  trans-141.8136.9173170.60000110.8R66 P68 V118 M159R66-S116 PolarHBondContact O-N 2.91Å; R66-S116 VanDerWaalsContact O-N 3.15Å; P68-S116 VanDerWaalsContact CD-O 3.23Å; P68-S116 WeakPolarHBondContact CD-O 3.37Å; S116-V118 PolarHBondContact O-N 3Å; S116-V118 PolarHBondContact OG-N 3.03Å; S116-M159 VanDerWaalsContact C-CE 3.5Å
117P78.7Confident82.3Confident66 Ų6649.4 Ų49.443%0.42928%0.281SS..SBendtrans-73-9.2178.831.6-36.3000113P119 M159P117-P119 WeakPolarHBondContact O-CD 3.4Å; P117-M159 HydrophobicContact CB-CE 4.28Å; P117-M159 HydrophobicContact CB-CG 4.31Å
118V80.3Confident81.6Confident79 Ų7947 Ų4748%0.47928%0.277SS..  trans-72.5114.3-178.7-176.50000109.8R67 S116R67-V118 PolarHBondContact NE-O 3Å; R67-V118 PolarHBondContact NH2-O 2.84Å; R67-V118 VanDerWaalsContact NH2-O 3.12Å; S116-V118 PolarHBondContact O-N 3Å; S116-V118 PolarHBondContact OG-N 3.03Å
119P83.9Confident81.1Confident48 Ų4844 Ų4431%0.31226%0.259SS..  trans-69.4158.2-174.128.2-35.1000113R67 P68 V70 P117R67-P119 PolarHBondContact NH2-O 3.3Å; R67-P119 VanDerWaalsContact NH2-O 3.13Å; P68-P119 HydrophobicContact CB-CB 4.22Å; P68-P119 CarbonylContact O-C 3.59Å; P68-P119 WeakPolarHBondContact O-CA 3.32Å; V70-P119 HydrophobicContact CG2-CB 3.92Å; P117-P119 WeakPolarHBondContact O-CD 3.4Å
120I87.2Confident80.6Confident4 Ų446 Ų462%0.02127%0.269CS..EExtended strand (participates in β ladder)trans-101.4131.6162.4-59.8174.8000107R67 P68 L69 V70 F83 I101 E104R67-I120 HydrophobicContact CB-CD1 4.4Å; R67-I120 HydrophobicContact CB-CG1 4.45Å; R67-I120 VanDerWaalsContact CZ-CG1 3.5Å; P68-I120 PolarHBondContact O-N 2.76Å; L69-I120 HydrophobicContact CD1-CB 3.83Å; L69-I120 HydrophobicContact CD1-CG2 3.79Å; V70-I120 PolarHBondContact N-O 3.43Å; F83-I120 HydrophobicContact CD1-CG2 3.92Å; F83-I120 HydrophobicContact CE1-CG2 4.01Å; I101-I120 HydrophobicContact CG2-CD1 4.47Å; E104-I120 HydrophobicContact CB-CD1 4.34Å; E104-I120 HydrophobicContact CG-CD1 3.92Å; E104-I120 HydrophobicContact CG-CG1 4.08Å
121N86.7Confident80.2Confident49 Ų4945.8 Ų45.826%0.26226%0.26SS..EExtended strand (participates in β ladder)trans-106.8117179.2-70.8-72.3000109.9V70 F83 L84V70-N121 WeakPolarHBondContact CB-OD1 3.48Å; F83-N121 WeakPolarHBondContact CA-O 3.27Å; L84-N121 HydrophobicContact CB-CB 3.67Å; L84-N121 HydrophobicContact CD2-CB 4.02Å; L84-N121 HydrophobicContact CG-CB 4.48Å; L84-N121 PolarHBondContact N-O 3.03Å; L84-N121 VanDerWaalsContact N-O 3.08Å
122L89Confident80.4Confident0 Ų042.1 Ų42.10%023%0.229CC..EExtended strand (participates in β ladder)trans-125.2127-176.8172.758.8000110.5F56 L69 V70 L71 Q72 A81 F83 V97 I101 V124F56-L122 HydrophobicContact CD2-CD2 4.06Å; F56-L122 HydrophobicContact CE2-CD2 3.99Å; L69-L122 HydrophobicContact CD1-CB 4.08Å; V70-L122 PolarHBondContact O-N 3.45Å; L71-L122 WeakPolarHBondContact CA-O 3.46Å; L71-L122 HydrophobicContact CD1-CD2 4.01Å; L71-L122 HydrophobicContact CD1-CG 4.09Å; Q72-L122 PolarHBondContact N-O 3.23Å; A81-L122 HydrophobicContact CB-CD1 4Å; F83-L122 HydrophobicContact CD1-CB 4.11Å; F83-L122 HydrophobicContact CD1-CD1 3.97Å; F83-L122 HydrophobicContact CD2-CD1 4.18Å; F83-L122 HydrophobicContact CE1-CB 4.02Å; F83-L122 HydrophobicContact CE1-CD1 3.75Å; F83-L122 HydrophobicContact CE1-CD2 4.19Å; F83-L122 HydrophobicContact CE1-CG 4.2Å; F83-L122 HydrophobicContact CE2-CD1 3.95Å; F83-L122 HydrophobicContact CG-CD1 4.2Å; F83-L122 HydrophobicContact CZ-CD1 3.74Å; F83-L122 HydrophobicContact CZ-CD2 4.3Å; F83-L122 HydrophobicContact CZ-CG 4.49Å; V97-L122 HydrophobicContact CG1-CD1 4.19Å; V97-L122 HydrophobicContact CG1-CD2 3.82Å; I101-L122 HydrophobicContact CD1-CD2 4.08Å; L122-V124 HydrophobicContact CD1-CG2 4.46Å; L122-V124 HydrophobicContact CD2-CG2 4.37Å; L122-V124 HydrophobicContact CG-CG2 4.14Å
123R88.1Confident80.9Confident48 Ų4836.8 Ų36.818%0.18120%0.2CC..EExtended strand (participates in β ladder)trans-100.3132.8169.7-70.3172.5-177179.83.2110.1D18 Q72 I74 A81 E82 Y125D18-R123 IonicContact OD1-CZ 2.74Å; D18-R123 IonicContact OD1-NH2 2.67Å; D18-R123 PolarHBondContact OD1-NH2 3.48Å; D18-R123 IonicContact OD2-CZ 2.62Å; D18-R123 IonicContact OD2-NH1 3.54Å; D18-R123 PolarHBondContact OD2-NH1 3.2Å; D18-R123 IonicContact OD2-NH2 2.68Å; D18-R123 PolarHBondContact OD2-NH2 3.21Å; Q72-R123 HydrophobicContact CB-CG 4.03Å; Q72-R123 WeakPolarHBondContact O-CA 3.4Å; Q72-R123 VanDerWaalsContact OE1-CG 3.23Å; I74-R123 HydrophobicContact CD1-CG 4.41Å; A81-R123 CarbonylContact C-O 3.54Å; A81-R123 WeakPolarHBondContact CA-O 3.43Å; A81-R123 VanDerWaalsContact CB-O 3.29Å; A81-R123 WeakPolarHBondContact CB-O 3.42Å; E82-R123 PolarHBondContact N-O 3.04Å; E82-R123 PolarHBondContact O-N 3.06Å; R123-Y125 HydrophobicContact CB-CD2 4.37Å; R123-Y125 HydrophobicContact CB-CE2 3.71Å
124V89.2Confident81.6Confident0 Ų033.1 Ų33.10%019%0.185CC..EExtended strand (participates in β ladder)trans-122.3116170.6-177.10000108.8V52 L71 Q72 L73 I74 A81 F94 L122V52-V124 HydrophobicContact CG1-CG1 3.92Å; L71-V124 HydrophobicContact CD1-CG2 3.77Å; Q72-V124 PolarHBondContact O-N 2.81Å; L73-V124 HydrophobicContact CD2-CB 3.96Å; L73-V124 HydrophobicContact CD2-CG2 4.46Å; I74-V124 PolarHBondContact N-O 2.91Å; A81-V124 HydrophobicContact CB-CG2 4.23Å; F94-V124 HydrophobicContact CE1-CG1 3.81Å; F94-V124 HydrophobicContact CE1-CG2 4.39Å; F94-V124 HydrophobicContact CZ-CG1 3.93Å; L122-V124 HydrophobicContact CD1-CG2 4.46Å; L122-V124 HydrophobicContact CD2-CG2 4.37Å; L122-V124 HydrophobicContact CG-CG2 4.14Å
125Y87.8Confident82.1Confident39 Ų3932.1 Ų32.115%0.15317%0.174CC..EExtended strand (participates in β ladder)trans-93.8127.2173.2-62.3-93.7000107.8I74 A76 E79 W80 R123I74-Y125 HydrophobicContact CB-CD1 3.81Å; I74-Y125 HydrophobicContact CB-CE1 3.98Å; I74-Y125 HydrophobicContact CB-CG 4.46Å; I74-Y125 HydrophobicContact CD1-CD1 4.27Å; I74-Y125 HydrophobicContact CD1-CE1 3.59Å; I74-Y125 HydrophobicContact CD1-CE2 4.43Å; I74-Y125 HydrophobicContact CG1-CE1 4.37Å; I74-Y125 HydrophobicContact CG2-CD1 3.72Å; I74-Y125 HydrophobicContact CG2-CE1 3.77Å; I74-Y125 VanDerWaalsContact O-CA 3.31Å; I74-Y125 WeakPolarHBondContact O-CA 3.37Å; A76-Y125 HydrophobicContact CB-CD1 4.14Å; E79-Y125 CarbonylContact C-O 3.6Å; E79-Y125 VanDerWaalsContact CA-O 3.24Å; E79-Y125 WeakPolarHBondContact CA-O 3.24Å; W80-Y125 AromaticContact CD2-CD2 3.71Å; W80-Y125 HydrophobicContact CD2-CD2 3.71Å; W80-Y125 HydrophobicContact CD2-CE2 4.42Å; W80-Y125 HydrophobicContact CD2-CG 4.14Å; W80-Y125 AromaticContact CE2-CD2 3.47Å; W80-Y125 VanDerWaalsContact CE2-CD2 3.47Å; W80-Y125 AromaticContact CE2-CG 3.55Å; W80-Y125 AromaticContact CE3-CD2 3.79Å; W80-Y125 HydrophobicContact CE3-CD2 3.79Å; W80-Y125 HydrophobicContact CE3-CE2 4.14Å; W80-Y125 AromaticContact CH2-CD2 3.48Å; W80-Y125 HydrophobicContact CH2-CD2 3.48Å; W80-Y125 VanDerWaalsContact CH2-CD2 3.48Å; W80-Y125 HydrophobicContact CH2-CE1 4.31Å; W80-Y125 AromaticContact CH2-CE2 3.2Å; W80-Y125 HydrophobicContact CH2-CE2 3.2Å; W80-Y125 HydrophobicContact CH2-CG 4.16Å; W80-Y125 AromaticContact CH2-CZ 3.67Å; W80-Y125 AromaticContact CZ2-CD1 3.9Å; W80-Y125 HydrophobicContact CZ2-CD1 3.9Å; W80-Y125 AromaticContact CZ2-CD2 3.37Å; W80-Y125 HydrophobicContact CZ2-CD2 3.37Å; W80-Y125 HydrophobicContact CZ2-CE1 4.01Å; W80-Y125 AromaticContact CZ2-CE2 3.52Å; W80-Y125 HydrophobicContact CZ2-CE2 3.52Å; W80-Y125 AromaticContact CZ2-CG 3.58Å; W80-Y125 HydrophobicContact CZ2-CG 3.58Å; W80-Y125 AromaticContact CZ2-CZ 3.84Å; W80-Y125 AromaticContact CZ3-CD2 3.68Å; W80-Y125 HydrophobicContact CZ3-CD2 3.68Å; W80-Y125 AromaticContact CZ3-CE2 3.55Å; W80-Y125 HydrophobicContact CZ3-CE2 3.55Å; W80-Y125 PolarHBondContact N-O 2.88Å; W80-Y125 AromaticContact NE1-CG 3.77Å; W80-Y125 PolarHBondContact O-N 2.68Å; R123-Y125 HydrophobicContact CB-CD2 4.37Å; R123-Y125 HydrophobicContact CB-CE2 3.71Å
126S83.7Confident82.4Confident0 Ų031 Ų310%017%0.169CC..EExtended strand (participates in β ladder)trans-159.6149.1177.3174.90000111.6I74 S75 A76 E79 H128I74-S126 PolarHBondContact O-N 3.36Å; S75-S126 WeakPolarHBondContact CA-O 3.47Å; A76-S126 PolarHBondContact N-O 2.97Å; A76-S126 CarbonylContact O-C 3.23Å; A76-S126 VanDerWaalsContact O-C 3.23Å; E79-S126 WeakPolarHBondContact OE1-CB 3.43Å; E79-S126 PolarHBondContact OE1-OG 3.11Å; S126-H128 PolarHBondContact O-N 3.41Å; S126-H128 PolarHBondContact OG-N 3.18Å
127P79.2Confident82.7Confident65 Ų6530.2 Ų30.242%0.42216%0.163SC..THydrogen-bonded Turntrans-74.7-8.317330.3-36.1000113A76A76-P127 WeakPolarHBondContact O-CA 3.44Å; A76-P127 WeakPolarHBondContact O-CB 3.21Å; A76-P127 WeakPolarHBondContact O-CD 3.25Å
128H72.4Confident83.2Confident130 Ų13027.1 Ų27.160%0.60214%0.143SC*.THydrogen-bonded Turntrans-101.4-3.3-175.2-60.3-42.1000113.8S126S126-H128 PolarHBondContact O-N 3.41Å; S126-H128 PolarHBondContact OG-N 3.18Å
129V75.1Confident83.5Confident5 Ų523.8 Ų23.83%0.0312%0.124CC..  trans-108148.4-179.5-54.70000112.1L73 I74 S75L73-V129 HydrophobicContact CB-CB 4.17Å; L73-V129 HydrophobicContact CB-CG2 4.04Å; L73-V129 HydrophobicContact CD1-CB 4.37Å; L73-V129 HydrophobicContact CD1-CG1 4.39Å; I74-V129 WeakPolarHBondContact O-CG2 3.49Å; S75-V129 WeakPolarHBondContact CB-O 3.41Å; S75-V129 PolarHBondContact OG-O 3.2Å
130L72Confident83.6Confident67 Ų6722.1 Ų22.135%0.35111%0.113SC..  trans-81.7152.1162.4-63.3178000109.4L73 L132 N282L73-L130 WeakPolarHBondContact CB-O 3.49Å; L130-L132 HydrophobicContact CB-CG 4.34Å; L130-L132 PolarHBondContact O-N 2.85Å; L130-L132 VanDerWaalsContact O-N 3.11Å; L130-N282 HydrophobicContact CD1-CB 3.77Å
131N71.7Confident83.4Confident27 Ų2722.3 Ų22.314%0.14411%0.114CC..SBendtrans-57.9117.2167.7-64.4-26.9000108.5E7 I10 P11 L73 S75 N282E7-N131 PolarHBondContact O-ND2 2.75Å; I10-N131 HydrophobicContact CB-CB 3.82Å; I10-N131 HydrophobicContact CD1-CB 4.37Å; I10-N131 WeakPolarHBondContact CD1-O 3.39Å; I10-N131 HydrophobicContact CG2-CB 3.78Å; P11-N131 WeakPolarHBondContact CG-ND2 3.33Å; L73-N131 WeakPolarHBondContact O-CA 3.47Å; S75-N131 PolarHBondContact N-OD1 3.28Å; N131-N282 PolarHBondContact O-ND2 3.13Å; N131-N282 VanDerWaalsContact O-ND2 3.11Å
132L75.5Confident82.9Confident3 Ų325.5 Ų25.52%0.01613%0.125CC..EExtended strand (participates in β ladder)trans-155.7140.6-177.2-75.9178.6000110.5L73 L130 L134 N282 L285L73-L132 HydrophobicContact CB-CB 4.29Å; L73-L132 HydrophobicContact CD1-CB 4.43Å; L73-L132 PolarHBondContact N-O 3.11Å; L73-L132 PolarHBondContact O-N 3.43Å; L130-L132 HydrophobicContact CB-CG 4.34Å; L130-L132 PolarHBondContact O-N 2.85Å; L130-L132 VanDerWaalsContact O-N 3.11Å; L132-L134 HydrophobicContact CB-CD1 4.34Å; L132-N282 HydrophobicContact CD2-CB 3.93Å; L132-L285 HydrophobicContact CD2-CD2 3.98Å
133T79.2Confident82.4Confident2 Ų230.3 Ų30.31%0.01216%0.155CC..EExtended strand (participates in β ladder)trans-116.7116.9172-55.80000109.6N14 I34 V70 L71 Q72N14-T133 PolarHBondContact OD1-OG1 2.97Å; I34-T133 PolarHBondContact N-O 2.66Å; V70-T133 HydrophobicContact CG1-CG2 4.26Å; L71-T133 WeakPolarHBondContact O-CA 3.37Å; Q72-T133 HydrophobicContact CG-CG2 4.07Å
134L86.4Confident81.7Confident0 Ų030.5 Ų30.50%016%0.162CC..EExtended strand (participates in β ladder)trans-122.4143.7-172.7-70.7149.4000109.3I34 V36 L48 F51 L71 L73 L132I34-L134 HydrophobicContact CB-CD2 3.98Å; I34-L134 HydrophobicContact CD1-CD2 4.18Å; I34-L134 HydrophobicContact CG2-CD2 3.86Å; I34-L134 CarbonylContact O-C 3.56Å; I34-L134 WeakPolarHBondContact O-CA 3.42Å; V36-L134 HydrophobicContact CG2-CD2 4.35Å; L48-L134 HydrophobicContact CD2-CB 3.99Å; L48-L134 HydrophobicContact CD2-CD1 3.86Å; L48-L134 HydrophobicContact CD2-CD2 4.13Å; L48-L134 HydrophobicContact CD2-CG 4.21Å; F51-L134 HydrophobicContact CD2-CD1 3.8Å; F51-L134 HydrophobicContact CE2-CD1 4.31Å; F51-L134 HydrophobicContact CE2-CD2 4.33Å; L71-L134 HydrophobicContact CB-CB 4.45Å; L71-L134 PolarHBondContact N-O 2.92Å; L71-L134 PolarHBondContact O-N 2.84Å; L73-L134 HydrophobicContact CD1-CD1 4.06Å; L132-L134 HydrophobicContact CB-CD1 4.34Å
135I88.8Confident81Confident1 Ų134.4 Ų34.41%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-119.2109.5175.2-52.8-176.4000108.1Q33 I34 V36 P68 L69 V70 L137 F163Q33-I135 HydrophobicContact CB-CD1 4.27Å; Q33-I135 VanDerWaalsContact CD-CD1 3.47Å; Q33-I135 HydrophobicContact CG-CD1 4.08Å; I34-I135 PolarHBondContact O-N 3.48Å; V36-I135 PolarHBondContact N-O 2.98Å; P68-I135 HydrophobicContact CB-CG2 4.36Å; L69-I135 CarbonylContact O-C 3.56Å; L69-I135 WeakPolarHBondContact O-CA 3.36Å; V70-I135 HydrophobicContact CG2-CD1 4.36Å; V70-I135 HydrophobicContact CG2-CG1 4.23Å; V70-I135 HydrophobicContact CG2-CG2 4.5Å; I135-L137 HydrophobicContact CG2-CD2 3.8Å; I135-L137 HydrophobicContact CG2-CG 4.15Å; I135-F163 HydrophobicContact CD1-CD1 3.78Å; I135-F163 HydrophobicContact CD1-CE1 4Å; I135-F163 HydrophobicContact CG2-CD1 4.36Å; I135-F163 HydrophobicContact CG2-CE1 4.31Å
136D90.9Very high80.3Confident2 Ų235.2 Ų35.21%0.01121%0.206CC..EExtended strand (participates in β ladder)trans-77.2125.4167.8-164.136.8000108.7L48 T65 P68 L69L48-D136 HydrophobicContact CD1-CB 3.56Å; T65-D136 HydrophobicContact CG2-CB 4.38Å; T65-D136 WeakPolarHBondContact CG2-OD2 3.38Å; T65-D136 PolarHBondContact OG1-OD2 2.7Å; P68-D136 WeakPolarHBondContact CA-O 3.33Å; L69-D136 HydrophobicContact CB-CB 4.24Å; L69-D136 PolarHBondContact N-O 3.36Å; L69-D136 PolarHBondContact O-N 3.23Å
137L90.7Very high79.7Confident0 Ų041.1 Ų41.10%024%0.238CC..  trans-109.3151.8178.6-64.9171.9000110.2A35 V37 K44 P68 I135 G139 I160 F163A35-L137 HydrophobicContact CB-CD1 3.94Å; V37-L137 HydrophobicContact CG2-CD1 4.13Å; K44-L137 WeakPolarHBondContact CE-O 3.38Å; P68-L137 HydrophobicContact CB-CD2 4.02Å; P68-L137 HydrophobicContact CG-CD2 4.21Å; I135-L137 HydrophobicContact CG2-CD2 3.8Å; I135-L137 HydrophobicContact CG2-CG 4.15Å; L137-G139 PolarHBondContact O-N 2.65Å; L137-I160 HydrophobicContact CB-CG1 4.16Å; L137-I160 HydrophobicContact CD1-CB 4.43Å; L137-I160 HydrophobicContact CD1-CG1 4.2Å; L137-I160 HydrophobicContact CD1-CG2 4.2Å; L137-F163 HydrophobicContact CD1-CB 4.26Å; L137-F163 HydrophobicContact CD2-CD2 3.55Å; L137-F163 HydrophobicContact CD2-CE2 3.83Å; L137-F163 HydrophobicContact CD2-CG 4.06Å
138P89Confident79.5Confident1 Ų138.8 Ų38.81%0.00622%0.221CC..PPolyproline II helixtrans-50.5141.5175.1-28.736.4000113.1T65 I156 M159T65-P138 VanDerWaalsContact O-CA 3.3Å; T65-P138 WeakPolarHBondContact O-CA 3.47Å; T65-P138 VanDerWaalsContact O-CB 3.25Å; T65-P138 WeakPolarHBondContact O-CB 3.31Å; T65-P138 WeakPolarHBondContact O-CG 3.23Å; P138-I156 HydrophobicContact CB-CG1 4.28Å; P138-I156 HydrophobicContact CB-CG2 4.14Å; P138-M159 HydrophobicContact CG-SD 3.7Å
139G87.9Confident79.7Confident8 Ų834.8 Ų34.88%0.08221%0.207CC..PPolyproline II helixtrans-75.5132.6176.600000111.8G38 L137 T141G38-G139 WeakPolarHBondContact O-CA 3.32Å; L137-G139 PolarHBondContact O-N 2.65Å; G139-T141 PolarHBondContact O-N 3.23Å
140I85.3Confident80Confident14 Ų1441.1 Ų41.17%0.07225%0.245CC..BIsolated β-bridgetrans-61.5131177.2-52.4161.9000109.4Q40 E153 I156 I160 D185 L189Q40-I140 PolarHBondContact N-O 2.71Å; I140-E153 HydrophobicContact CG2-CG 4.31Å; I140-I156 HydrophobicContact CG1-CG2 4.38Å; I140-I160 HydrophobicContact CD1-CD1 4.32Å; I140-I160 HydrophobicContact CG1-CD1 3.79Å; I140-D185 HydrophobicContact CD1-CB 3.65Å; I140-L189 HydrophobicContact CD1-CD1 3.53Å; I140-L189 HydrophobicContact CD1-CG 4.26Å; I140-L189 HydrophobicContact CG1-CD1 4.36Å
141T82.3Confident80.7Confident7 Ų741.8 Ų41.84%0.04325%0.249CC..  trans-127.1124.5178.852.40000109.8Q40 I63 G139 E153Q40-T141 HydrophobicContact CB-CG2 4.06Å; Q40-T141 HydrophobicContact CG-CG2 4.26Å; I63-T141 HydrophobicContact CD1-CG2 4.09Å; I63-T141 HydrophobicContact CG1-CG2 3.71Å; G139-T141 PolarHBondContact O-N 3.23Å; T141-E153 WeakPolarHBondContact O-CB 3.34Å
142K76.4Confident81.3Confident116 Ų11640.6 Ų40.650%0.50424%0.243SC..SBendtrans-86.6-8.3-176.2-72.4173171.9154.30115.2D185K142-D185 WeakPolarHBondContact CE-OD1 3.37Å; K142-D185 VanDerWaalsContact CE-OD2 3.28Å; K142-D185 WeakPolarHBondContact CE-OD2 3.43Å; K142-D185 IonicContact NZ-OD1 2.63Å; K142-D185 PolarHBondContact NZ-OD1 2.92Å; K142-D185 IonicContact NZ-OD2 2.63Å; K142-D185 PolarHBondContact NZ-OD2 2.98Å
143V78.2Confident81.8Confident101 Ų10144.2 Ų44.261%0.61226%0.259SS*.SBendtrans-140.9128.1179.8-175.80000107.2
144P75.3Confident82.3Confident53 Ų5348.6 Ų48.634%0.34428%0.28SS..  trans-66.5139.8174.527.6-34.4000110.8Q148 I152P144-Q148 HydrophobicContact CB-CB 3.99Å; P144-I152 HydrophobicContact CB-CG2 3.88Å
145V72.9Confident82.4Confident81 Ų8151.9 Ų51.949%0.49130%0.295SS..  trans-127.6114.9-177.1-175.60000112.1
146G74.3Confident82.4Confident56 Ų5651.9 Ų51.958%0.57730%0.295SS*.SBendtrans78.3-140.5-173.600000110.8Q148G146-Q148 PolarHBondContact O-N 3.4Å
147D70.6Confident82.4Confident124 Ų12456 Ų5666%0.66331%0.311SS*.SBendtrans-75.421-175.1-42.7-69.7000114.5
148Q74.1Confident82.3Confident16 Ų1659.5 Ų59.58%0.07533%0.329CS..  trans-76.1141179.2-69.7-179.3-25.100110.9K113 P144 G146 I152K113-Q148 HydrophobicContact CB-CG 3.95Å; P144-Q148 HydrophobicContact CB-CB 3.99Å; G146-Q148 PolarHBondContact O-N 3.4Å; Q148-I152 HydrophobicContact CB-CG1 4.49Å; Q148-I152 HydrophobicContact CB-CG2 4.49Å
149P77.9Confident82.3Confident47 Ų4759.7 Ų59.731%0.30533%0.33SS..  trans-69.5154.2179.933.4-37.9000110.8D151 I152P149-D151 WeakPolarHBondContact CB-OD1 3.2Å; P149-D151 PolarHBondContact O-N 3.08Å; P149-I152 HydrophobicContact CG-CB 4.22Å; P149-I152 HydrophobicContact CG-CD1 4.34Å; P149-I152 VanDerWaalsContact O-CB 3.26Å; P149-I152 WeakPolarHBondContact O-CB 3.42Å; P149-I152 WeakPolarHBondContact O-CG2 3.5Å; P149-I152 PolarHBondContact O-N 2.91Å; P149-I152 VanDerWaalsContact O-N 3.09Å
150V80.9Confident82.4Confident137 Ų13759.3 Ų59.383%0.8333%0.326SS*.THydrogen-bonded Turntrans-65.5-25.1-171.1-161.10000112.4
151D85.8Confident82.7Confident82 Ų8260.9 Ų60.944%0.43933%0.334SS..THydrogen-bonded Turntrans-93.712.8178.665.5-43.9000113.9P149 E153 Q154 Q155P149-D151 WeakPolarHBondContact CB-OD1 3.2Å; P149-D151 PolarHBondContact O-N 3.08Å; D151-E153 PolarHBondContact O-N 3.3Å; D151-E153 VanDerWaalsContact O-N 3.12Å; D151-Q154 WeakPolarHBondContact O-CA 3.11Å; D151-Q154 WeakPolarHBondContact O-CB 3.38Å; D151-Q154 PolarHBondContact O-N 2.87Å; D151-Q155 VanDerWaalsContact CG-NE2 3.26Å; D151-Q155 PolarHBondContact O-N 3.22Å; D151-Q155 PolarHBondContact OD1-NE2 3.42Å; D151-Q155 WeakPolarHBondContact OD2-CG 3.26Å; D151-Q155 PolarHBondContact OD2-NE2 2.91Å
152I84.9Confident82.9Confident1 Ų165.6 Ų65.61%0.00536%0.355CS..Hα-helixtrans-53.3-35.2-177.3-170.759.1000113.7I63 I115 P144 Q148 P149 Q155 I156I63-I152 HydrophobicContact CD1-CD1 4.33Å; I63-I152 HydrophobicContact CD1-CG1 3.95Å; I115-I152 HydrophobicContact CD1-CD1 3.82Å; I115-I152 HydrophobicContact CG1-CD1 3.73Å; I115-I152 HydrophobicContact CG2-CD1 4.08Å; P144-I152 HydrophobicContact CB-CG2 3.88Å; Q148-I152 HydrophobicContact CB-CG1 4.49Å; Q148-I152 HydrophobicContact CB-CG2 4.49Å; P149-I152 HydrophobicContact CG-CB 4.22Å; P149-I152 HydrophobicContact CG-CD1 4.34Å; P149-I152 VanDerWaalsContact O-CB 3.26Å; P149-I152 WeakPolarHBondContact O-CB 3.42Å; P149-I152 WeakPolarHBondContact O-CG2 3.5Å; P149-I152 PolarHBondContact O-N 2.91Å; P149-I152 VanDerWaalsContact O-N 3.09Å; I152-Q155 PolarHBondContact O-N 3.37Å; I152-I156 HydrophobicContact CD1-CD1 4.23Å; I152-I156 HydrophobicContact CD1-CG1 4.35Å; I152-I156 HydrophobicContact CG1-CD1 3.92Å; I152-I156 HydrophobicContact CG1-CG1 4.49Å; I152-I156 WeakPolarHBondContact O-CB 3.25Å; I152-I156 WeakPolarHBondContact O-CD1 3.14Å; I152-I156 VanDerWaalsContact O-CG1 3.23Å; I152-I156 WeakPolarHBondContact O-CG1 3.14Å; I152-I156 PolarHBondContact O-N 3.27Å
153E87.1Confident83.4Confident79 Ų7961.1 Ų61.137%0.36934%0.336SS..Hα-helixtrans-61.5-44.6175.3-172.8174.3179.100111.5I140 T141 D151 I156 R157I140-E153 HydrophobicContact CG2-CG 4.31Å; T141-E153 WeakPolarHBondContact O-CB 3.34Å; D151-E153 PolarHBondContact O-N 3.3Å; D151-E153 VanDerWaalsContact O-N 3.12Å; E153-I156 PolarHBondContact O-N 3.22Å; E153-R157 VanDerWaalsContact O-CB 3.31Å; E153-R157 WeakPolarHBondContact O-CB 3.29Å; E153-R157 PolarHBondContact O-N 3.34Å
154Q88.4Confident84Confident95 Ų9556.3 Ų56.344%0.44431%0.307SS..Hα-helixtrans-69.1-43.7-179.9-17558.439.900110.8D151 I156 R157 D158D151-Q154 WeakPolarHBondContact O-CA 3.11Å; D151-Q154 WeakPolarHBondContact O-CB 3.38Å; D151-Q154 PolarHBondContact O-N 2.87Å; Q154-I156 VanDerWaalsContact C-N 3.34Å; Q154-I156 PolarHBondContact O-N 3.28Å; Q154-R157 WeakPolarHBondContact O-CB 3.34Å; Q154-R157 PolarHBondContact O-N 3.07Å; Q154-R157 VanDerWaalsContact O-N 3.17Å; Q154-D158 PolarHBondContact NE2-OD1 3.22Å; Q154-D158 PolarHBondContact NE2-OD2 3.08Å; Q154-D158 WeakPolarHBondContact O-CB 3.33Å; Q154-D158 PolarHBondContact O-N 3.39Å
155Q88Confident84.7Confident69 Ų6956.8 Ų56.832%0.32231%0.311SS..Hα-helixtrans-60.2-41.2176.1-64.5-177.51600112.5I115 D151 I152 M159I115-Q155 HydrophobicContact CD1-CB 3.61Å; D151-Q155 VanDerWaalsContact CG-NE2 3.26Å; D151-Q155 PolarHBondContact O-N 3.22Å; D151-Q155 PolarHBondContact OD1-NE2 3.42Å; D151-Q155 WeakPolarHBondContact OD2-CG 3.26Å; D151-Q155 PolarHBondContact OD2-NE2 2.91Å; I152-Q155 PolarHBondContact O-N 3.37Å; Q155-M159 WeakPolarHBondContact O-CB 3.46Å; Q155-M159 PolarHBondContact O-N 2.97Å
156I89.3Confident85.4Confident0 Ų055.5 Ų55.50%030%0.298CS..Hα-helixtrans-66.5-43.6174.4-68.6165.1000110.8I63 I115 P138 I140 I152 E153 Q154 M159 I160I63-I156 HydrophobicContact CD1-CD1 3.57Å; I115-I156 HydrophobicContact CD1-CG1 3.77Å; P138-I156 HydrophobicContact CB-CG1 4.28Å; P138-I156 HydrophobicContact CB-CG2 4.14Å; I140-I156 HydrophobicContact CG1-CG2 4.38Å; I152-I156 HydrophobicContact CD1-CD1 4.23Å; I152-I156 HydrophobicContact CD1-CG1 4.35Å; I152-I156 HydrophobicContact CG1-CD1 3.92Å; I152-I156 HydrophobicContact CG1-CG1 4.49Å; I152-I156 WeakPolarHBondContact O-CB 3.25Å; I152-I156 WeakPolarHBondContact O-CD1 3.14Å; I152-I156 VanDerWaalsContact O-CG1 3.23Å; I152-I156 WeakPolarHBondContact O-CG1 3.14Å; I152-I156 PolarHBondContact O-N 3.27Å; E153-I156 PolarHBondContact O-N 3.22Å; Q154-I156 VanDerWaalsContact C-N 3.34Å; Q154-I156 PolarHBondContact O-N 3.28Å; I156-M159 PolarHBondContact O-N 3.02Å; I156-I160 HydrophobicContact CG2-CD1 3.71Å; I156-I160 HydrophobicContact CG2-CG1 4.4Å; I156-I160 VanDerWaalsContact O-CG1 3.29Å; I156-I160 WeakPolarHBondContact O-CG1 3.39Å; I156-I160 PolarHBondContact O-N 3.4Å
157R90.8Very high85.8Confident89 Ų8960.8 Ų60.834%0.33631%0.307SS..Hα-helixtrans-59.3-49177.3178.9172.7178.1108.613111E153 Q154 M159 I160 M161 L189 D192E153-R157 VanDerWaalsContact O-CB 3.31Å; E153-R157 WeakPolarHBondContact O-CB 3.29Å; E153-R157 PolarHBondContact O-N 3.34Å; Q154-R157 WeakPolarHBondContact O-CB 3.34Å; Q154-R157 PolarHBondContact O-N 3.07Å; Q154-R157 VanDerWaalsContact O-N 3.17Å; R157-M159 PolarHBondContact O-N 3.37Å; R157-I160 PolarHBondContact O-N 2.97Å; R157-M161 HydrophobicContact CG-CG 4.42Å; R157-M161 WeakPolarHBondContact O-CB 3.34Å; R157-M161 WeakPolarHBondContact O-CG 3.44Å; R157-M161 PolarHBondContact O-N 2.76Å; R157-L189 HydrophobicContact CG-CD2 4.02Å; R157-L189 VanDerWaalsContact CZ-CD2 3.41Å; R157-L189 VanDerWaalsContact NH1-CD2 3.29Å; R157-D192 IonicContact CZ-OD2 3.55Å; R157-D192 IonicContact NH1-OD2 3.57Å; R157-D192 IonicContact NH2-OD2 3.95Å; R157-D192 PolarHBondContact NH2-OD2 3.1Å
158D89.5Confident86.3Confident73 Ų7355.4 Ų55.439%0.3928%0.279SS..Hα-helixtrans-63.9-40.8179.2-69.5-28.4000111.6Q154 M161 Q162Q154-D158 PolarHBondContact NE2-OD1 3.22Å; Q154-D158 PolarHBondContact NE2-OD2 3.08Å; Q154-D158 WeakPolarHBondContact O-CB 3.33Å; Q154-D158 PolarHBondContact O-N 3.39Å; D158-M161 PolarHBondContact O-N 3.31Å; D158-Q162 WeakPolarHBondContact O-CG 3.34Å; D158-Q162 PolarHBondContact O-N 3.11Å
159M88.5Confident86.9Confident6 Ų654.6 Ų54.63%0.0328%0.276CS..Hα-helixtrans-59.7-46.3172.4-171.7-172.4-56.600111.8P68 I115 S116 P117 P138 Q155 I156 R157 M161 Q162 F163P68-M159 HydrophobicContact CG-CG 4.23Å; P68-M159 HydrophobicContact CG-SD 3.61Å; I115-M159 HydrophobicContact CB-CE 4.09Å; I115-M159 HydrophobicContact CD1-CE 3.72Å; I115-M159 HydrophobicContact CG1-CE 4.26Å; S116-M159 VanDerWaalsContact C-CE 3.5Å; P117-M159 HydrophobicContact CB-CE 4.28Å; P117-M159 HydrophobicContact CB-CG 4.31Å; P138-M159 HydrophobicContact CG-SD 3.7Å; Q155-M159 WeakPolarHBondContact O-CB 3.46Å; Q155-M159 PolarHBondContact O-N 2.97Å; I156-M159 PolarHBondContact O-N 3.02Å; R157-M159 PolarHBondContact O-N 3.37Å; M159-M161 VanDerWaalsContact C-N 3.34Å; M159-M161 PolarHBondContact O-N 3.35Å; M159-Q162 WeakPolarHBondContact O-CB 3.04Å; M159-Q162 PolarHBondContact O-N 2.91Å; M159-F163 VanDerWaalsContact O-CD2 3.3Å; M159-F163 WeakPolarHBondContact O-CD2 3.48Å
160I91.1Very high87.5Confident0 Ų052.4 Ų52.40%026%0.261CS..Hα-helixtrans-61-45176.5-68.5162.6000110.4V37 L137 I140 I156 R157 Q162 F163 I164 L189V37-I160 HydrophobicContact CG1-CG2 4.11Å; V37-I160 HydrophobicContact CG2-CG2 3.9Å; L137-I160 HydrophobicContact CB-CG1 4.16Å; L137-I160 HydrophobicContact CD1-CB 4.43Å; L137-I160 HydrophobicContact CD1-CG1 4.2Å; L137-I160 HydrophobicContact CD1-CG2 4.2Å; I140-I160 HydrophobicContact CD1-CD1 4.32Å; I140-I160 HydrophobicContact CG1-CD1 3.79Å; I156-I160 HydrophobicContact CG2-CD1 3.71Å; I156-I160 HydrophobicContact CG2-CG1 4.4Å; I156-I160 VanDerWaalsContact O-CG1 3.29Å; I156-I160 WeakPolarHBondContact O-CG1 3.39Å; I156-I160 PolarHBondContact O-N 3.4Å; R157-I160 PolarHBondContact O-N 2.97Å; I160-Q162 VanDerWaalsContact C-N 3.27Å; I160-Q162 PolarHBondContact O-N 3.38Å; I160-F163 PolarHBondContact O-N 3.43Å; I160-I164 HydrophobicContact CG2-CD1 3.79Å; I160-I164 HydrophobicContact CG2-CG1 4.04Å; I160-I164 HydrophobicContact CG2-CG2 4.12Å; I160-I164 WeakPolarHBondContact O-CG1 3.27Å; I160-I164 PolarHBondContact O-N 3.09Å; I160-L189 HydrophobicContact CB-CD1 4.36Å; I160-L189 HydrophobicContact CD1-CD1 3.97Å; I160-L189 HydrophobicContact CG2-CD1 3.84Å
161M90.6Very high88.1Confident46 Ų4645.9 Ų45.923%0.22722%0.222CC..Hα-helixtrans-60.3-32.7-179.5-70.1-67.5-7300112.8R157 D158 M159 F163 I164 S165 V193R157-M161 HydrophobicContact CG-CG 4.42Å; R157-M161 WeakPolarHBondContact O-CB 3.34Å; R157-M161 WeakPolarHBondContact O-CG 3.44Å; R157-M161 PolarHBondContact O-N 2.76Å; D158-M161 PolarHBondContact O-N 3.31Å; M159-M161 VanDerWaalsContact C-N 3.34Å; M159-M161 PolarHBondContact O-N 3.35Å; M161-F163 PolarHBondContact O-N 3.37Å; M161-I164 HydrophobicContact SD-CD1 4.07Å; M161-I164 HydrophobicContact SD-CG1 4.14Å; M161-S165 WeakPolarHBondContact O-CB 3.44Å; M161-S165 PolarHBondContact O-N 3.11Å; M161-S165 PolarHBondContact O-OG 3.28Å; M161-V193 HydrophobicContact CE-CG1 3.52Å; M161-V193 HydrophobicContact SD-CG1 3.79Å
162Q87Confident88.6Confident106 Ų10642 Ų4250%0.49520%0.201SC..Hα-helixtrans-61.1-26.6174.5-70.8168.818.700113.7D158 M159 I160 R166D158-Q162 WeakPolarHBondContact O-CG 3.34Å; D158-Q162 PolarHBondContact O-N 3.11Å; M159-Q162 WeakPolarHBondContact O-CB 3.04Å; M159-Q162 PolarHBondContact O-N 2.91Å; I160-Q162 VanDerWaalsContact C-N 3.27Å; I160-Q162 PolarHBondContact O-N 3.38Å; Q162-R166 PolarHBondContact O-NE 2.82Å
163F86.7Confident89Confident22 Ų2241.9 Ų41.910%0.09620%0.2CC..Hα-helixtrans-93.4-50.9174.8-66.4-88.8000111.5P68 I135 L137 M159 I160 M161 S165 R166 C169P68-F163 HydrophobicContact CB-CE2 4.18Å; P68-F163 HydrophobicContact CB-CZ 3.98Å; P68-F163 HydrophobicContact CG-CE2 3.86Å; P68-F163 HydrophobicContact CG-CZ 4.04Å; I135-F163 HydrophobicContact CD1-CD1 3.78Å; I135-F163 HydrophobicContact CD1-CE1 4Å; I135-F163 HydrophobicContact CG2-CD1 4.36Å; I135-F163 HydrophobicContact CG2-CE1 4.31Å; L137-F163 HydrophobicContact CD1-CB 4.26Å; L137-F163 HydrophobicContact CD2-CD2 3.55Å; L137-F163 HydrophobicContact CD2-CE2 3.83Å; L137-F163 HydrophobicContact CD2-CG 4.06Å; M159-F163 VanDerWaalsContact O-CD2 3.3Å; M159-F163 WeakPolarHBondContact O-CD2 3.48Å; I160-F163 PolarHBondContact O-N 3.43Å; M161-F163 PolarHBondContact O-N 3.37Å; F163-S165 PolarHBondContact O-N 3.01Å; F163-R166 WeakPolarHBondContact O-CG 3.49Å; F163-R166 PolarHBondContact O-N 3.39Å; F163-C169 WeakPolarHBondContact O-CB 3.27Å
164I90.9Very high89.4Confident0 Ų038.2 Ų38.20%018%0.183CC..Hα-helixtrans-78.8-18.7-170.669169.2000115A35 V37 I160 M161 R166 I171 L189 V193 R199A35-I164 HydrophobicContact CB-CG2 3.98Å; V37-I164 HydrophobicContact CG2-CG2 3.75Å; I160-I164 HydrophobicContact CG2-CD1 3.79Å; I160-I164 HydrophobicContact CG2-CG1 4.04Å; I160-I164 HydrophobicContact CG2-CG2 4.12Å; I160-I164 WeakPolarHBondContact O-CG1 3.27Å; I160-I164 PolarHBondContact O-N 3.09Å; M161-I164 HydrophobicContact SD-CD1 4.07Å; M161-I164 HydrophobicContact SD-CG1 4.14Å; I164-R166 PolarHBondContact O-N 3.21Å; I164-I171 HydrophobicContact CB-CD1 3.99Å; I164-I171 HydrophobicContact CB-CG1 4.14Å; I164-I171 HydrophobicContact CG2-CD1 4.43Å; I164-I171 HydrophobicContact CG2-CG1 4.13Å; I164-L189 HydrophobicContact CD1-CB 3.99Å; I164-V193 HydrophobicContact CB-CG2 4.18Å; I164-V193 HydrophobicContact CD1-CG1 4.44Å; I164-V193 HydrophobicContact CD1-CG2 3.81Å; I164-V193 HydrophobicContact CG1-CG1 4.31Å; I164-V193 HydrophobicContact CG1-CG2 3.93Å; I164-R199 VanDerWaalsContact O-CZ 3.27Å; I164-R199 PolarHBondContact O-NH1 3.39Å; I164-R199 PolarHBondContact O-NH2 2.93Å
165S90.4Very high89.6Confident63 Ų6333.8 Ų33.844%0.44116%0.163SC..THydrogen-bonded Turntrans-69.8-14.6175.4-530000113M161 F163M161-S165 WeakPolarHBondContact O-CB 3.44Å; M161-S165 PolarHBondContact O-N 3.11Å; M161-S165 PolarHBondContact O-OG 3.28Å; F163-S165 PolarHBondContact O-N 3.01Å
166R86Confident89.8Confident55 Ų5531.3 Ų31.321%0.20815%0.152CC..SBendtrans-74.7124.8177.4-53.5177.5-168.2-136-3.2109.8N28 Q162 F163 I164 S168 C169 R199N28-R166 VanDerWaalsContact OD1-CZ 3.27Å; N28-R166 PolarHBondContact OD1-NH1 3.42Å; N28-R166 PolarHBondContact OD1-NH2 3.41Å; Q162-R166 PolarHBondContact O-NE 2.82Å; F163-R166 WeakPolarHBondContact O-CG 3.49Å; F163-R166 PolarHBondContact O-N 3.39Å; I164-R166 PolarHBondContact O-N 3.21Å; R166-S168 PolarHBondContact O-N 3.07Å; R166-C169 HydrophobicContact CB-CB 4.28Å; R166-C169 VanDerWaalsContact O-CB 3.3Å; R166-C169 WeakPolarHBondContact O-CB 3.28Å; R166-C169 PolarHBondContact O-N 2.87Å; R166-R199 PolarHBondContact O-NH1 2.92Å
167E83.5Confident89.9Confident167 Ų16732 Ų3278%0.7816%0.158SC*.THydrogen-bonded Turntrans-60.3-29.3-179-62.1-174.7164.100113.2C169 R199E167-C169 VanDerWaalsContact C-N 3.27Å; E167-C169 PolarHBondContact O-N 3.42Å; E167-R199 WeakPolarHBondContact O-CD 3.4Å
168S80.6Confident89.7Confident10 Ų1031.9 Ų31.97%0.0717%0.165CC..THydrogen-bonded Turntrans-76.6-7.9175.264.50000114.3D30 P32 R166 H288D30-S168 WeakPolarHBondContact CB-OG 3.46Å; D30-S168 WeakPolarHBondContact O-CB 3.26Å; D30-S168 PolarHBondContact O-OG 2.9Å; P32-S168 WeakPolarHBondContact CA-O 3.33Å; R166-S168 PolarHBondContact O-N 3.07Å; S168-H288 VanDerWaalsContact C-NE2 3.27Å; S168-H288 WeakPolarHBondContact CA-NE2 3.31Å; S168-H288 PolarHBondContact O-CD2 2.82Å; S168-H288 VanDerWaalsContact O-CD2 3.29Å; S168-H288 PolarHBondContact O-NE2 2.64Å
169C87.5Confident89.4Confident0 Ų031.6 Ų31.60%017%0.165CC..EExtended strand (participates in β ladder)trans-83.3122.6175.3-165.50000111.1Q33 A35 F163 R166 E167 R199Q33-C169 HydrophobicContact CG-CB 4.32Å; A35-C169 WeakPolarHBondContact CB-SG 3.37Å; F163-C169 WeakPolarHBondContact O-CB 3.27Å; R166-C169 HydrophobicContact CB-CB 4.28Å; R166-C169 VanDerWaalsContact O-CB 3.3Å; R166-C169 WeakPolarHBondContact O-CB 3.28Å; R166-C169 PolarHBondContact O-N 2.87Å; E167-C169 VanDerWaalsContact C-N 3.27Å; E167-C169 PolarHBondContact O-N 3.42Å; C169-R199 WeakPolarHBondContact O-CD 3.35Å; C169-R199 PolarHBondContact O-NH1 2.9Å
170L90.5Very high89Confident0 Ų035.6 Ų35.60%019%0.187CC..EExtended strand (participates in β ladder)trans-75.4141.1161.6-65.6178.9000109.1Q33 I34 A35 R199 Q284 L285 H288Q33-L170 PolarHBondContact O-N 3.23Å; I34-L170 HydrophobicContact CG1-CB 4.17Å; I34-L170 HydrophobicContact CG1-CD1 4.16Å; A35-L170 PolarHBondContact N-O 3.2Å; L170-R199 WeakPolarHBondContact CA-O 3.41Å; L170-R199 HydrophobicContact CD2-CB 3.98Å; L170-Q284 HydrophobicContact CD1-CB 4.4Å; L170-L285 HydrophobicContact CD1-CB 4.33Å; L170-L285 HydrophobicContact CD1-CD1 4.48Å; L170-H288 HydrophobicContact CD1-CB 4.15Å; L170-H288 HydrophobicContact CD2-CB 4.14Å; L170-H288 HydrophobicContact CG-CB 4.32Å
171I94.1Very high88.4Confident0 Ų036.3 Ų36.30%019%0.19CC..EExtended strand (participates in β ladder)trans-109.5118.5-178.3-54.3174.1000108.4V37 I164 A190 V193 D194 R199 T200 I201V37-I171 HydrophobicContact CB-CG2 4.5Å; V37-I171 HydrophobicContact CG2-CG2 4.2Å; I164-I171 HydrophobicContact CB-CD1 3.99Å; I164-I171 HydrophobicContact CB-CG1 4.14Å; I164-I171 HydrophobicContact CG2-CD1 4.43Å; I164-I171 HydrophobicContact CG2-CG1 4.13Å; I171-A190 HydrophobicContact CD1-CB 4.44Å; I171-A190 HydrophobicContact CG2-CB 4.12Å; I171-V193 HydrophobicContact CD1-CG2 3.53Å; I171-D194 HydrophobicContact CD1-CB 4.37Å; I171-R199 PolarHBondContact N-O 2.96Å; I171-T200 CarbonylContact O-C 3.57Å; I171-T200 WeakPolarHBondContact O-CA 3.45Å; I171-I201 PolarHBondContact O-N 2.87Å
172L94.6Very high87.8Confident0 Ų037.6 Ų37.60%021%0.208CC..EExtended strand (participates in β ladder)trans-97.596.2172.6-166.962.9000109.1I34 A35 V36 V37 V174 I201 V203 L277 L281I34-L172 HydrophobicContact CG2-CB 3.88Å; I34-L172 HydrophobicContact CG2-CD2 4.47Å; A35-L172 PolarHBondContact O-N 3.09Å; V36-L172 HydrophobicContact CG1-CD2 4.47Å; V36-L172 HydrophobicContact CG2-CB 4.48Å; V36-L172 HydrophobicContact CG2-CD2 4.15Å; V37-L172 PolarHBondContact N-O 3.41Å; L172-V174 HydrophobicContact CG-CG2 4.41Å; L172-V174 PolarHBondContact O-N 2.9Å; L172-I201 HydrophobicContact CD1-CB 3.89Å; L172-I201 HydrophobicContact CD1-CG2 3.82Å; L172-V203 HydrophobicContact CD1-CG2 3.4Å; L172-V203 HydrophobicContact CD2-CG2 4.44Å; L172-V203 HydrophobicContact CG-CG2 3.93Å; L172-L277 HydrophobicContact CD1-CD1 4.43Å; L172-L281 HydrophobicContact CD1-CD2 3.76Å; L172-L281 HydrophobicContact CD2-CD1 4.07Å; L172-L281 HydrophobicContact CD2-CD2 4.43Å
173A94.8Very high87.6Confident0 Ų037.1 Ų37.10%021%0.209CC..EExtended strand (participates in β ladder)trans-86.197.2-175.300000110.7A186 L187 T200 I201 V203A173-A186 HydrophobicContact CB-CB 4.12Å; A173-L187 HydrophobicContact CB-CD2 3.73Å; A173-L187 HydrophobicContact CB-CG 4.29Å; A173-T200 HydrophobicContact CB-CG2 4.04Å; A173-I201 PolarHBondContact N-O 3.11Å; A173-V203 PolarHBondContact O-N 2.92Å
174V94.6Very high87.7Confident1 Ų136.5 Ų36.51%0.00621%0.208CC..EExtended strand (participates in β ladder)trans-88.6115.3-177.5-1730000110.2V36 V37 A42 K44 L172 V203 T205V36-V174 HydrophobicContact CG1-CG2 3.62Å; V37-V174 PolarHBondContact O-N 2.81Å; A42-V174 HydrophobicContact CB-CG1 4.37Å; A42-V174 WeakPolarHBondContact O-CG1 3.31Å; K44-V174 HydrophobicContact CG-CB 4.17Å; K44-V174 HydrophobicContact CG-CG1 4.43Å; K44-V174 HydrophobicContact CG-CG2 4.29Å; L172-V174 HydrophobicContact CG-CG2 4.41Å; L172-V174 PolarHBondContact O-N 2.9Å; V174-V203 WeakPolarHBondContact CA-O 3.44Å; V174-V203 HydrophobicContact CG2-CB 4.35Å; V174-T205 HydrophobicContact CG1-CG2 3.57Å
175T93.2Very high87.5Confident2 Ų238.2 Ų38.21%0.01222%0.217CC..EExtended strand (participates in β ladder)trans-126.4134.9179.9-53.20000110.2L181 S184 V203 I204 T205T175-L181 HydrophobicContact CG2-CD1 4.23Å; T175-S184 PolarHBondContact OG1-OG 3.4Å; T175-V203 PolarHBondContact N-O 2.89Å; T175-I204 VanDerWaalsContact O-CA 3.3Å; T175-I204 WeakPolarHBondContact O-CA 2.93Å; T175-T205 PolarHBondContact O-N 3.45Å
176P92.8Very high87.5Confident17 Ų1735.2 Ų35.211%0.1120%0.196CC..EExtended strand (participates in β ladder)trans-81.9138.9174.632.8-30.8000111.7N178 T179 T205 K206P176-N178 VanDerWaalsContact C-N 3.27Å; P176-N178 PolarHBondContact O-N 3.43Å; P176-T179 HydrophobicContact CG-CG2 4Å; P176-T179 WeakPolarHBondContact CG-OG1 3.36Å; P176-T179 PolarHBondContact O-N 3.23Å; P176-T179 PolarHBondContact O-OG1 3.17Å; P176-T205 WeakPolarHBondContact CA-OG1 3.4Å; P176-K206 HydrophobicContact CB-CB 4.43Å; P176-K206 HydrophobicContact CB-CD 3.86Å; P176-K206 HydrophobicContact CB-CG 4.29Å
177A90.9Very high87.8Confident15 Ų1533 Ų3312%0.12419%0.188CC..THydrogen-bonded Turntrans-66.5-24.5-173.900000114.3T179 I204 T205 L207 M210A177-T179 PolarHBondContact O-N 2.83Å; A177-I204 HydrophobicContact CB-CG2 3.68Å; A177-T205 VanDerWaalsContact CB-O 3.29Å; A177-T205 WeakPolarHBondContact CB-O 3.46Å; A177-T205 PolarHBondContact N-O 2.71Å; A177-L207 HydrophobicContact CB-CD2 3.66Å; A177-L207 HydrophobicContact CB-CG 4.06Å; A177-M210 HydrophobicContact CB-CG 3.81Å; A177-M210 HydrophobicContact CB-SD 3.72Å
178N86.4Confident88.1Confident87 Ų8728.9 Ų28.947%0.46517%0.168SC..THydrogen-bonded Turntrans-80.113.8175.977-37.3000113.5P176P176-N178 VanDerWaalsContact C-N 3.27Å; P176-N178 PolarHBondContact O-N 3.43Å
179T82.5Confident88.6Confident66 Ų6628.6 Ų28.641%0.40517%0.165SC..SBendtrans-128.2142.6172.762.10000109.9P176 A177 L181P176-T179 HydrophobicContact CG-CG2 4Å; P176-T179 WeakPolarHBondContact CG-OG1 3.36Å; P176-T179 PolarHBondContact O-N 3.23Å; P176-T179 PolarHBondContact O-OG1 3.17Å; A177-T179 PolarHBondContact O-N 2.83Å; T179-L181 PolarHBondContact O-N 3.4Å
180D80.7Confident88.9Confident90 Ų9028.7 Ų28.748%0.48117%0.167SC..  trans-60.3127.8176.3167.429.2000111.2A182 N183D180-A182 PolarHBondContact O-N 3.45Å; D180-A182 PolarHBondContact OD1-N 3.48Å; D180-A182 VanDerWaalsContact OD1-N 3.08Å; D180-N183 WeakPolarHBondContact O-CA 3.41Å; D180-N183 WeakPolarHBondContact O-CB 3.33Å; D180-N183 PolarHBondContact O-N 3.28Å; D180-N183 PolarHBondContact OD2-ND2 3.24Å
181L78.4Confident88.9Confident15 Ų1533.6 Ų33.68%0.07919%0.188CC..G310 helixtrans-58.4-34.6-177.7-16475.2000112.3T175 T179 N183 S184 L187 I204 V219 L224 L225 Y231T175-L181 HydrophobicContact CG2-CD1 4.23Å; T179-L181 PolarHBondContact O-N 3.4Å; L181-N183 PolarHBondContact O-N 2.92Å; L181-S184 VanDerWaalsContact O-CB 3.31Å; L181-S184 WeakPolarHBondContact O-CB 3.28Å; L181-S184 PolarHBondContact O-N 3.33Å; L181-S184 VanDerWaalsContact O-N 3.13Å; L181-L187 HydrophobicContact CD1-CD1 3.38Å; L181-L187 HydrophobicContact CD2-CD1 4.44Å; L181-L187 HydrophobicContact CG-CD1 3.73Å; L181-I204 HydrophobicContact CD1-CD1 4.03Å; L181-V219 HydrophobicContact CD1-CG1 3.95Å; L181-V219 HydrophobicContact CD2-CB 4.46Å; L181-V219 HydrophobicContact CD2-CG1 3.73Å; L181-V219 HydrophobicContact CD2-CG2 3.99Å; L181-V219 HydrophobicContact CG-CG1 4.47Å; L181-L224 HydrophobicContact CB-CD2 4.27Å; L181-L224 HydrophobicContact CD2-CD2 4.04Å; L181-L224 HydrophobicContact CD2-CG 4.48Å; L181-L225 HydrophobicContact CD2-CB 3.82Å; L181-L225 HydrophobicContact CD2-CD2 4.48Å; L181-Y231 HydrophobicContact CD1-CE1 4.46Å
182A77.6Confident88.7Confident73 Ų7338 Ų3860%0.60321%0.212SC*.G310 helixtrans-64.5-22.4177.500000112.4D180 K188D180-A182 PolarHBondContact O-N 3.45Å; D180-A182 PolarHBondContact OD1-N 3.48Å; D180-A182 VanDerWaalsContact OD1-N 3.08Å; A182-K188 WeakPolarHBondContact O-CE 3.49Å
183N83.2Confident88.6Confident96 Ų9639.7 Ų39.751%0.51322%0.221SC..G310 helixtrans-92.9-5.2177.8-76.3-62.5000114.3D180 L181 D185 K188D180-N183 WeakPolarHBondContact O-CA 3.41Å; D180-N183 WeakPolarHBondContact O-CB 3.33Å; D180-N183 PolarHBondContact O-N 3.28Å; D180-N183 PolarHBondContact OD2-ND2 3.24Å; L181-N183 PolarHBondContact O-N 2.92Å; N183-D185 PolarHBondContact O-N 3.08Å; N183-D185 VanDerWaalsContact O-N 3.17Å; N183-K188 PolarHBondContact O-NZ 2.91Å
184S87.6Confident88.5Confident9 Ų940.3 Ų40.36%0.06323%0.225CC..  trans-60.9113.4179.3179.60000113T175 L181 A186 L187 K188T175-S184 PolarHBondContact OG1-OG 3.4Å; L181-S184 VanDerWaalsContact O-CB 3.31Å; L181-S184 WeakPolarHBondContact O-CB 3.28Å; L181-S184 PolarHBondContact O-N 3.33Å; L181-S184 VanDerWaalsContact O-N 3.13Å; S184-A186 PolarHBondContact O-N 3.36Å; S184-A186 PolarHBondContact OG-N 3.47Å; S184-L187 PolarHBondContact O-N 2.84Å; S184-L187 PolarHBondContact OG-N 3.24Å; S184-K188 WeakPolarHBondContact O-CG 3.44Å; S184-K188 PolarHBondContact O-N 3.32Å; S184-K188 VanDerWaalsContact O-N 3.1Å
185D87.9Confident88.2Confident36 Ų3645.2 Ų45.219%0.19326%0.259CS..Hα-helixtrans-65.5-27175.7-53.9-46.6000111.8I140 K142 N183 K188 L189I140-D185 HydrophobicContact CD1-CB 3.65Å; K142-D185 WeakPolarHBondContact CE-OD1 3.37Å; K142-D185 VanDerWaalsContact CE-OD2 3.28Å; K142-D185 WeakPolarHBondContact CE-OD2 3.43Å; K142-D185 IonicContact NZ-OD1 2.63Å; K142-D185 PolarHBondContact NZ-OD1 2.92Å; K142-D185 IonicContact NZ-OD2 2.63Å; K142-D185 PolarHBondContact NZ-OD2 2.98Å; N183-D185 PolarHBondContact O-N 3.08Å; N183-D185 VanDerWaalsContact O-N 3.17Å; D185-K188 IonicContact OD1-NZ 3.81Å; D185-L189 WeakPolarHBondContact O-CG 3.43Å; D185-L189 PolarHBondContact O-N 2.72Å
186A91.3Very high87.7Confident1 Ų152 Ų521%0.00829%0.291CS..Hα-helixtrans-63.3-46.3175.400000112A173 S184 A190A173-A186 HydrophobicContact CB-CB 4.12Å; S184-A186 PolarHBondContact O-N 3.36Å; S184-A186 PolarHBondContact OG-N 3.47Å; A186-A190 WeakPolarHBondContact O-CB 3.46Å; A186-A190 PolarHBondContact O-N 3.46Å
187L91.3Very high87.5Confident7 Ų751.3 Ų51.34%0.03729%0.287CS..Hα-helixtrans-79.1-26.6-177.5-67.8166000112.1A173 L181 S184 K191 L225 L227 Y231A173-L187 HydrophobicContact CB-CD2 3.73Å; A173-L187 HydrophobicContact CB-CG 4.29Å; L181-L187 HydrophobicContact CD1-CD1 3.38Å; L181-L187 HydrophobicContact CD2-CD1 4.44Å; L181-L187 HydrophobicContact CG-CD1 3.73Å; S184-L187 PolarHBondContact O-N 2.84Å; S184-L187 PolarHBondContact OG-N 3.24Å; L187-K191 WeakPolarHBondContact O-CB 3.44Å; L187-K191 WeakPolarHBondContact O-CG 3.35Å; L187-K191 PolarHBondContact O-N 3.14Å; L187-L225 HydrophobicContact CB-CD2 4.4Å; L187-L225 HydrophobicContact CD1-CD2 4.2Å; L187-L227 HydrophobicContact CD2-CD1 4.18Å; L187-Y231 HydrophobicContact CD1-CE1 4.41Å
188K90.4Very high87.2Confident81 Ų8153.6 Ų53.635%0.35230%0.297SS..Hα-helixtrans-63.1-55.7168.4-70.9167.7-176.3167.80110.7A182 N183 S184 D185 A190 K191 D192A182-K188 WeakPolarHBondContact O-CE 3.49Å; N183-K188 PolarHBondContact O-NZ 2.91Å; S184-K188 WeakPolarHBondContact O-CG 3.44Å; S184-K188 PolarHBondContact O-N 3.32Å; S184-K188 VanDerWaalsContact O-N 3.1Å; D185-K188 IonicContact OD1-NZ 3.81Å; K188-A190 VanDerWaalsContact C-N 3.29Å; K188-A190 PolarHBondContact O-N 3.44Å; K188-K191 PolarHBondContact O-N 3.46Å; K188-K191 VanDerWaalsContact O-N 3.11Å; K188-D192 VanDerWaalsContact O-CG 3.28Å; K188-D192 PolarHBondContact O-N 3.47Å
189L91.5Very high87.5Confident4 Ų450.5 Ų50.52%0.02128%0.279CS..Hα-helixtrans-58.5-39.9176.2-70.5-172.4000112.8V37 I140 R157 I160 I164 D185 D192V37-L189 HydrophobicContact CG1-CD1 4.06Å; I140-L189 HydrophobicContact CD1-CD1 3.53Å; I140-L189 HydrophobicContact CD1-CG 4.26Å; I140-L189 HydrophobicContact CG1-CD1 4.36Å; R157-L189 HydrophobicContact CG-CD2 4.02Å; R157-L189 VanDerWaalsContact CZ-CD2 3.41Å; R157-L189 VanDerWaalsContact NH1-CD2 3.29Å; I160-L189 HydrophobicContact CB-CD1 4.36Å; I160-L189 HydrophobicContact CD1-CD1 3.97Å; I160-L189 HydrophobicContact CG2-CD1 3.84Å; I164-L189 HydrophobicContact CD1-CB 3.99Å; D185-L189 WeakPolarHBondContact O-CG 3.43Å; D185-L189 PolarHBondContact O-N 2.72Å; L189-D192 PolarHBondContact O-N 3.15Å
190A92.6Very high88Confident3 Ų347.4 Ų47.43%0.02526%0.26CS..Hα-helixtrans-61.6-44.5175.800000112I171 A186 K188 D192 V193 D194 T200I171-A190 HydrophobicContact CD1-CB 4.44Å; I171-A190 HydrophobicContact CG2-CB 4.12Å; A186-A190 WeakPolarHBondContact O-CB 3.46Å; A186-A190 PolarHBondContact O-N 3.46Å; K188-A190 VanDerWaalsContact C-N 3.29Å; K188-A190 PolarHBondContact O-N 3.44Å; A190-D192 VanDerWaalsContact C-N 3.33Å; A190-D192 PolarHBondContact O-N 2.93Å; A190-V193 PolarHBondContact O-N 3.44Å; A190-D194 CarbonylContact O-C 3.59Å; A190-D194 WeakPolarHBondContact O-CA 3.38Å; A190-D194 WeakPolarHBondContact O-CB 3.45Å; A190-D194 PolarHBondContact O-N 3.44Å; A190-T200 HydrophobicContact CB-CG2 3.73Å
191K90Very high88.6Confident103 Ų10343.1 Ų43.145%0.44824%0.237SC..Hα-helixtrans-64.1-34.2176.8-81.5-179.8173.1-175.80113.8L187 K188 V193 S195 L225L187-K191 WeakPolarHBondContact O-CB 3.44Å; L187-K191 WeakPolarHBondContact O-CG 3.35Å; L187-K191 PolarHBondContact O-N 3.14Å; K188-K191 PolarHBondContact O-N 3.46Å; K188-K191 VanDerWaalsContact O-N 3.11Å; K191-V193 PolarHBondContact O-N 3.05Å; K191-S195 WeakPolarHBondContact O-CA 3.31Å; K191-S195 PolarHBondContact O-N 3.02Å; K191-L225 VanDerWaalsContact CE-CD1 3.47Å; K191-L225 VanDerWaalsContact NZ-CD1 3.26Å
192D90.9Very high89.4Confident93 Ų9342.4 Ų42.450%0.49723%0.233SC..Hα-helixtrans-61.8-25.5178.9-65.2-21.9000111.9R157 K188 L189 A190R157-D192 IonicContact CZ-OD2 3.55Å; R157-D192 IonicContact NH1-OD2 3.57Å; R157-D192 IonicContact NH2-OD2 3.95Å; R157-D192 PolarHBondContact NH2-OD2 3.1Å; K188-D192 VanDerWaalsContact O-CG 3.28Å; K188-D192 PolarHBondContact O-N 3.47Å; L189-D192 PolarHBondContact O-N 3.15Å; A190-D192 VanDerWaalsContact C-N 3.33Å; A190-D192 PolarHBondContact O-N 2.93Å
193V92.1Very high90.2Very high34 Ų3439 Ų3921%0.20620%0.204CC..Hα-helixtrans-121.2-8.5-178.9-56.90000115.2M161 I164 I171 A190 K191 R199M161-V193 HydrophobicContact CE-CG1 3.52Å; M161-V193 HydrophobicContact SD-CG1 3.79Å; I164-V193 HydrophobicContact CB-CG2 4.18Å; I164-V193 HydrophobicContact CD1-CG1 4.44Å; I164-V193 HydrophobicContact CD1-CG2 3.81Å; I164-V193 HydrophobicContact CG1-CG1 4.31Å; I164-V193 HydrophobicContact CG1-CG2 3.93Å; I171-V193 HydrophobicContact CD1-CG2 3.53Å; A190-V193 PolarHBondContact O-N 3.44Å; K191-V193 PolarHBondContact O-N 3.05Å; V193-R199 PolarHBondContact O-NH2 3.17Å
194D92.3Very high90.8Very high14 Ų1434.6 Ų34.68%0.07518%0.181CC..  trans-148.862.5-178.6-178.727.2000109.6I171 A190 Q196 G197 L198 R199 T200I171-D194 HydrophobicContact CD1-CB 4.37Å; A190-D194 CarbonylContact O-C 3.59Å; A190-D194 WeakPolarHBondContact O-CA 3.38Å; A190-D194 WeakPolarHBondContact O-CB 3.45Å; A190-D194 PolarHBondContact O-N 3.44Å; D194-Q196 PolarHBondContact O-N 3.41Å; D194-Q196 VanDerWaalsContact O-N 3.1Å; D194-G197 PolarHBondContact O-N 2.97Å; D194-G197 PolarHBondContact OD1-N 3.24Å; D194-G197 VanDerWaalsContact OD2-CA 3.28Å; D194-G197 WeakPolarHBondContact OD2-CA 3.43Å; D194-L198 VanDerWaalsContact CG-N 3.3Å; D194-L198 PolarHBondContact OD1-N 2.99Å; D194-L198 PolarHBondContact OD2-N 3.5Å; D194-R199 HydrophobicContact CB-CG 4.04Å; D194-R199 WeakPolarHBondContact OD2-CG 3.22Å; D194-R199 PolarHBondContact OD2-N 3.5Å; D194-T200 WeakPolarHBondContact OD2-CB 3.27Å; D194-T200 PolarHBondContact OD2-N 3.22Å; D194-T200 PolarHBondContact OD2-OG1 2.82Å
195S88.2Confident91.1Very high104 Ų10434.1 Ų34.173%0.72718%0.178SC*.THydrogen-bonded Turntrans-59.6-22.3-175.861.20000114.6K191K191-S195 WeakPolarHBondContact O-CA 3.31Å; K191-S195 PolarHBondContact O-N 3.02Å
196Q83.9Confident91.3Very high143 Ų14335.1 Ų35.167%0.66818%0.181SC*.THydrogen-bonded Turntrans-93.9-2.2175.4-69.3-1768.700113.7D194 L198D194-Q196 PolarHBondContact O-N 3.41Å; D194-Q196 VanDerWaalsContact O-N 3.1Å; Q196-L198 VanDerWaalsContact C-N 3.29Å; Q196-L198 HydrophobicContact CB-CD1 4.32Å; Q196-L198 HydrophobicContact CB-CD2 4Å; Q196-L198 HydrophobicContact CB-CG 3.76Å; Q196-L198 PolarHBondContact O-N 3.26Å
197G87.3Confident91.3Very high4 Ų435.3 Ų35.34%0.04118%0.181CC..  trans61.332179.800000114.1D194 R228D194-G197 PolarHBondContact O-N 2.97Å; D194-G197 PolarHBondContact OD1-N 3.24Å; D194-G197 VanDerWaalsContact OD2-CA 3.28Å; D194-G197 WeakPolarHBondContact OD2-CA 3.43Å; G197-R228 WeakPolarHBondContact O-CB 3.43Å; G197-R228 PolarHBondContact O-N 3.28Å; G197-R228 VanDerWaalsContact O-N 3.16Å
198L86.3Confident91.2Very high63 Ų6337.9 Ų37.933%0.3320%0.195SC..SBendtrans-74.2-30.8-175.3-60.2-175.2000113.4D194 Q196 R229D194-L198 VanDerWaalsContact CG-N 3.3Å; D194-L198 PolarHBondContact OD1-N 2.99Å; D194-L198 PolarHBondContact OD2-N 3.5Å; Q196-L198 VanDerWaalsContact C-N 3.29Å; Q196-L198 HydrophobicContact CB-CD1 4.32Å; Q196-L198 HydrophobicContact CB-CD2 4Å; Q196-L198 HydrophobicContact CB-CG 3.76Å; Q196-L198 PolarHBondContact O-N 3.26Å; L198-R229 VanDerWaalsContact O-CZ 3.27Å; L198-R229 PolarHBondContact O-NE 2.87Å; L198-R229 PolarHBondContact O-NH2 3.41Å
199R91.1Very high91.1Very high22 Ų2238.7 Ų38.78%0.08320%0.203CC..SBendtrans-124.30.4-175.258-170.6-176.5961.2113I164 R166 E167 C169 L170 I171 V193 D194I164-R199 VanDerWaalsContact O-CZ 3.27Å; I164-R199 PolarHBondContact O-NH1 3.39Å; I164-R199 PolarHBondContact O-NH2 2.93Å; R166-R199 PolarHBondContact O-NH1 2.92Å; E167-R199 WeakPolarHBondContact O-CD 3.4Å; C169-R199 WeakPolarHBondContact O-CD 3.35Å; C169-R199 PolarHBondContact O-NH1 2.9Å; L170-R199 WeakPolarHBondContact CA-O 3.41Å; L170-R199 HydrophobicContact CD2-CB 3.98Å; I171-R199 PolarHBondContact N-O 2.96Å; V193-R199 PolarHBondContact O-NH2 3.17Å; D194-R199 HydrophobicContact CB-CG 4.04Å; D194-R199 WeakPolarHBondContact OD2-CG 3.22Å; D194-R199 PolarHBondContact OD2-N 3.5Å
200T93.4Very high91Very high1 Ų140.4 Ų40.41%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-87.9133.1174.3-54.50000112.2I171 A173 A190 D194 L227I171-T200 CarbonylContact O-C 3.57Å; I171-T200 WeakPolarHBondContact O-CA 3.45Å; A173-T200 HydrophobicContact CB-CG2 4.04Å; A190-T200 HydrophobicContact CB-CG2 3.73Å; D194-T200 WeakPolarHBondContact OD2-CB 3.27Å; D194-T200 PolarHBondContact OD2-N 3.22Å; D194-T200 PolarHBondContact OD2-OG1 2.82Å; T200-L227 HydrophobicContact CG2-CD1 4.12Å; T200-L227 HydrophobicContact CG2-CD2 4.09Å
201I94.1Very high90.7Very high0 Ų046.4 Ų46.40%024%0.243CC..EExtended strand (participates in β ladder)trans-118.8123.1173.9-57.5174.2000107.2I171 L172 A173 R229 L281 Q284I171-I201 PolarHBondContact O-N 2.87Å; L172-I201 HydrophobicContact CD1-CB 3.89Å; L172-I201 HydrophobicContact CD1-CG2 3.82Å; A173-I201 PolarHBondContact N-O 3.11Å; I201-R229 HydrophobicContact CG1-CB 3.82Å; I201-R229 HydrophobicContact CG1-CG 4.36Å; I201-L281 HydrophobicContact CD1-CD2 3.69Å; I201-Q284 HydrophobicContact CD1-CB 4.11Å; I201-Q284 HydrophobicContact CD1-CG 4.21Å
202G94.2Very high90.2Very high0 Ų051.2 Ų51.20%027%0.267CS..EExtended strand (participates in β ladder)trans-84.7132.9178.300000112G230 Y231 I232G202-G230 PolarHBondContact N-O 2.78Å; G202-G230 VanDerWaalsContact N-O 3.08Å; G202-Y231 CarbonylContact O-C 3.55Å; G202-Y231 VanDerWaalsContact O-CA 3.3Å; G202-Y231 WeakPolarHBondContact O-CA 3.27Å; G202-I232 PolarHBondContact O-N 2.96Å
203V95.6Very high89.6Confident0 Ų051 Ų510%029%0.287CS..EExtended strand (participates in β ladder)trans-122123171.2175.60000109.2V47 L172 A173 V174 T175 T205 I232 V234 L277V47-V203 HydrophobicContact CG2-CG1 4.38Å; L172-V203 HydrophobicContact CD1-CG2 3.4Å; L172-V203 HydrophobicContact CD2-CG2 4.44Å; L172-V203 HydrophobicContact CG-CG2 3.93Å; A173-V203 PolarHBondContact O-N 2.92Å; V174-V203 WeakPolarHBondContact CA-O 3.44Å; V174-V203 HydrophobicContact CG2-CB 4.35Å; T175-V203 PolarHBondContact N-O 2.89Å; V203-T205 HydrophobicContact CG1-CG2 4.13Å; V203-I232 WeakPolarHBondContact CA-O 3.41Å; V203-V234 HydrophobicContact CG1-CG1 4.48Å; V203-V234 HydrophobicContact CG1-CG2 3.77Å; V203-L277 HydrophobicContact CG1-CD2 4.09Å; V203-L277 HydrophobicContact CG2-CD1 3.75Å; V203-L277 HydrophobicContact CG2-CD2 3.8Å; V203-L277 HydrophobicContact CG2-CG 4.47Å
204I94.8Very high89.3Confident4 Ų452.8 Ų52.82%0.02130%0.298CS..EExtended strand (participates in β ladder)trans-105.2112.9179.4-53.5-57.2000108.9T175 A177 L181 L207 V219 L220 Y231 I232 G233 V234T175-I204 VanDerWaalsContact O-CA 3.3Å; T175-I204 WeakPolarHBondContact O-CA 2.93Å; A177-I204 HydrophobicContact CB-CG2 3.68Å; L181-I204 HydrophobicContact CD1-CD1 4.03Å; I204-L207 HydrophobicContact CG2-CD1 4.5Å; I204-L207 HydrophobicContact CG2-CD2 3.8Å; I204-L207 HydrophobicContact CG2-CG 4.11Å; I204-V219 HydrophobicContact CD1-CG1 3.87Å; I204-V219 HydrophobicContact CG1-CG1 4.03Å; I204-L220 HydrophobicContact CB-CD2 4.06Å; I204-L220 HydrophobicContact CG1-CD2 3.92Å; I204-Y231 HydrophobicContact CD1-CD1 3.84Å; I204-Y231 HydrophobicContact CD1-CE1 4.27Å; I204-Y231 HydrophobicContact CG1-CD1 3.99Å; I204-I232 PolarHBondContact N-O 3.36Å; I204-G233 CarbonylContact O-C 3.59Å; I204-G233 WeakPolarHBondContact O-CA 3.33Å; I204-V234 PolarHBondContact O-N 3.19Å
205T94.1Very high89.1Confident0 Ų055.7 Ų55.70%031%0.313CS..EExtended strand (participates in β ladder)trans-100.4170.8-179.768.30000111.1A42 V47 V174 T175 P176 A177 V203 L207 V234A42-T205 WeakPolarHBondContact O-CG2 3.18Å; A42-T205 PolarHBondContact O-OG1 2.87Å; V47-T205 HydrophobicContact CG2-CG2 4.03Å; V174-T205 HydrophobicContact CG1-CG2 3.57Å; T175-T205 PolarHBondContact O-N 3.45Å; P176-T205 WeakPolarHBondContact CA-OG1 3.4Å; A177-T205 VanDerWaalsContact CB-O 3.29Å; A177-T205 WeakPolarHBondContact CB-O 3.46Å; A177-T205 PolarHBondContact N-O 2.71Å; V203-T205 HydrophobicContact CG1-CG2 4.13Å; T205-L207 VanDerWaalsContact C-N 3.28Å; T205-L207 PolarHBondContact O-N 3.24Å; T205-V234 HydrophobicContact CG2-CG2 3.79Å
206K91.8Very high89.2Confident57 Ų5751.1 Ų51.125%0.24828%0.282CS..  trans58.732172.3-53.7-174.8-171.7177.60115.1S41 P176 D208 L209S41-K206 VanDerWaalsContact O-CE 3.24Å; S41-K206 WeakPolarHBondContact O-CE 3.48Å; S41-K206 PolarHBondContact O-NZ 2.97Å; P176-K206 HydrophobicContact CB-CB 4.43Å; P176-K206 HydrophobicContact CB-CD 3.86Å; P176-K206 HydrophobicContact CB-CG 4.29Å; K206-D208 VanDerWaalsContact C-OD1 3.29Å; K206-D208 VanDerWaalsContact CA-OD1 3.29Å; K206-D208 WeakPolarHBondContact CA-OD1 3.37Å; K206-D208 PolarHBondContact O-N 3.41Å; K206-L209 HydrophobicContact CB-CB 4.35Å; K206-L209 HydrophobicContact CB-CD1 4.26Å; K206-L209 HydrophobicContact CD-CD1 4.21Å; K206-L209 HydrophobicContact CG-CD1 4.32Å; K206-L209 PolarHBondContact O-N 3.45Å
207L91.3Very high89.5Confident4 Ų448.8 Ų48.82%0.02127%0.267CS..G310 helixtrans-63.7-20.3176.7-71.8160.8000113A177 I204 T205 L209 M210 A216 L220 V235 F258 F259 Y265A177-L207 HydrophobicContact CB-CD2 3.66Å; A177-L207 HydrophobicContact CB-CG 4.06Å; I204-L207 HydrophobicContact CG2-CD1 4.5Å; I204-L207 HydrophobicContact CG2-CD2 3.8Å; I204-L207 HydrophobicContact CG2-CG 4.11Å; T205-L207 VanDerWaalsContact C-N 3.28Å; T205-L207 PolarHBondContact O-N 3.24Å; L207-L209 VanDerWaalsContact C-N 3.34Å; L207-M210 HydrophobicContact CD2-SD 4.13Å; L207-A216 HydrophobicContact CD2-CB 3.71Å; L207-L220 HydrophobicContact CD1-CD1 4.22Å; L207-L220 HydrophobicContact CD2-CD1 4.24Å; L207-V235 HydrophobicContact CB-CG2 4.31Å; L207-F258 HydrophobicContact CB-CE1 4Å; L207-F258 HydrophobicContact CB-CZ 4.11Å; L207-F259 HydrophobicContact CD1-CE1 3.88Å; L207-F259 HydrophobicContact CD1-CZ 3.79Å; L207-Y265 HydrophobicContact CB-CE2 4.46Å; L207-Y265 HydrophobicContact CD2-CE2 4.29Å
208D89.5Confident89.6Confident62 Ų6252.6 Ų52.633%0.33229%0.287SS..G310 helixtrans-77.9-12.6173.759.6-56.5000114.1K206 V235 F258K206-D208 VanDerWaalsContact C-OD1 3.29Å; K206-D208 VanDerWaalsContact CA-OD1 3.29Å; K206-D208 WeakPolarHBondContact CA-OD1 3.37Å; K206-D208 PolarHBondContact O-N 3.41Å; D208-V235 HydrophobicContact CB-CG1 4.02Å; D208-F258 HydrophobicContact CB-CE2 4.25Å
209L88.8Confident89.8Confident97 Ų9750.4 Ų50.451%0.50828%0.276SS..G310 helixtrans-113.324.9-178.5-55.8178.3000112.4K206 L207K206-L209 HydrophobicContact CB-CB 4.35Å; K206-L209 HydrophobicContact CB-CD1 4.26Å; K206-L209 HydrophobicContact CD-CD1 4.21Å; K206-L209 HydrophobicContact CG-CD1 4.32Å; K206-L209 PolarHBondContact O-N 3.45Å; L207-L209 VanDerWaalsContact C-N 3.34Å
210M88.8Confident89.8Confident40 Ų4049.8 Ų49.820%0.19727%0.274CS..SBendtrans-81.7150.8171.1-63.9-168.170.500110.7A177 L207 D215 A216A177-M210 HydrophobicContact CB-CG 3.81Å; A177-M210 HydrophobicContact CB-SD 3.72Å; L207-M210 HydrophobicContact CD2-SD 4.13Å; M210-D215 VanDerWaalsContact CE-C 3.48Å; M210-A216 HydrophobicContact CE-CB 4.17Å; M210-A216 HydrophobicContact SD-CB 3.89Å
211D85.7Confident89.6Confident130 Ų13052.4 Ų52.470%0.69529%0.286SS*.PPolyproline II helixtrans-65.7139.7178.4-63.6-44.4000111G213 T214D211-G213 PolarHBondContact O-N 3.21Å; D211-T214 HydrophobicContact CB-CG2 4.31Å; D211-T214 PolarHBondContact N-OG1 3.09Å; D211-T214 WeakPolarHBondContact O-CB 3.44Å; D211-T214 PolarHBondContact O-N 2.85Å; D211-T214 PolarHBondContact O-OG1 3.32Å
212E79.4Confident89.5Confident204 Ų20454.2 Ų54.295%0.95330%0.296SS*.THydrogen-bonded Turntrans-57125.3-179.1-68.9-167.7158.400111.4
213G79.4Confident89.1Confident89 Ų8959.9 Ų59.992%0.91832%0.321SS*.THydrogen-bonded Turntrans94.3-3.6-174.700000114.9D211D211-G213 PolarHBondContact O-N 3.21Å
214T85.6Confident88.6Confident71 Ų7165.1 Ų65.144%0.43635%0.348SS..  trans-105.9151.7170.470.20000111.7D211D211-T214 HydrophobicContact CB-CG2 4.31Å; D211-T214 PolarHBondContact N-OG1 3.09Å; D211-T214 WeakPolarHBondContact O-CB 3.44Å; D211-T214 PolarHBondContact O-N 2.85Å; D211-T214 PolarHBondContact O-OG1 3.32Å
215D87.8Confident88.1Confident74 Ų7466.7 Ų66.740%0.39636%0.356SS..  trans-145.8160.317077.541000111.8M210 R217 Y265M210-D215 VanDerWaalsContact CE-C 3.48Å; D215-R217 VanDerWaalsContact C-N 3.34Å; D215-R217 WeakPolarHBondContact OD1-CA 3.3Å; D215-R217 WeakPolarHBondContact OD1-CB 3.45Å; D215-R217 PolarHBondContact OD1-N 3.3Å; D215-Y265 HydrophobicContact CB-CE1 4.16Å
216A90.3Very high87.7Confident9 Ų968.9 Ų68.97%0.07437%0.37CS..  trans-96.124.2177.300000112.3L207 M210 D218 V219 L220 Y265L207-A216 HydrophobicContact CD2-CB 3.71Å; M210-A216 HydrophobicContact CE-CB 4.17Å; M210-A216 HydrophobicContact SD-CB 3.89Å; A216-D218 PolarHBondContact O-N 2.88Å; A216-V219 WeakPolarHBondContact O-CB 3.48Å; A216-V219 PolarHBondContact O-N 2.96Å; A216-V219 VanDerWaalsContact O-N 3.14Å; A216-L220 PolarHBondContact O-N 3.29Å; A216-Y265 PolarHBondContact N-OH 3.34Å
217R90.5Very high87.6Confident93 Ų9366.7 Ų66.735%0.35136%0.361SS..Hα-helixtrans-60.6-45.3-170.3-179.5-177.9173.3176.80.2112.7D215 V219 L220 E221 Y265 H267D215-R217 VanDerWaalsContact C-N 3.34Å; D215-R217 WeakPolarHBondContact OD1-CA 3.3Å; D215-R217 WeakPolarHBondContact OD1-CB 3.45Å; D215-R217 PolarHBondContact OD1-N 3.3Å; R217-V219 PolarHBondContact O-N 2.92Å; R217-L220 PolarHBondContact O-N 3.36Å; R217-E221 HydrophobicContact CG-CG 4.16Å; R217-E221 IonicContact CZ-OE1 2.77Å; R217-E221 IonicContact NE-OE1 2.78Å; R217-E221 PolarHBondContact NE-OE1 3.2Å; R217-E221 IonicContact NE-OE2 3.75Å; R217-E221 IonicContact NH2-OE1 3.11Å; R217-E221 PolarHBondContact NH2-OE1 3Å; R217-E221 VanDerWaalsContact NH2-OE1 3.11Å; R217-E221 WeakPolarHBondContact O-CB 3.34Å; R217-E221 WeakPolarHBondContact O-CG 3.26Å; R217-E221 PolarHBondContact O-N 3.18Å; R217-Y265 HydrophobicContact CB-CE1 4.39Å; R217-H267 PolarHBondContact NH2-NE2 3.11Å
218D88.6Confident87.4Confident84 Ų8469.4 Ų69.445%0.44937%0.371SS..Hα-helixtrans-69.1-19.8-179.4-73-38.2000113.2A216 K223 L224A216-D218 PolarHBondContact O-N 2.88Å; D218-K223 HydrophobicContact CB-CB 4.45Å; D218-K223 HydrophobicContact CB-CD 4.26Å; D218-K223 WeakPolarHBondContact O-CB 3.41Å; D218-K223 PolarHBondContact O-N 2.95Å; D218-K223 WeakPolarHBondContact OD1-CD 3.3Å; D218-K223 IonicContact OD1-NZ 3.55Å; D218-K223 PolarHBondContact OD1-NZ 3.22Å; D218-L224 PolarHBondContact O-N 3.26Å; D218-L224 VanDerWaalsContact O-N 3.16Å
219V90.3Very high87.4Confident17 Ų1768 Ų6810%0.10336%0.362CS..Hα-helixtrans-74.6-51.6168.4-175.70000110L181 I204 A216 R217 E221 N222 L224 Y231L181-V219 HydrophobicContact CD1-CG1 3.95Å; L181-V219 HydrophobicContact CD2-CB 4.46Å; L181-V219 HydrophobicContact CD2-CG1 3.73Å; L181-V219 HydrophobicContact CD2-CG2 3.99Å; L181-V219 HydrophobicContact CG-CG1 4.47Å; I204-V219 HydrophobicContact CD1-CG1 3.87Å; I204-V219 HydrophobicContact CG1-CG1 4.03Å; A216-V219 WeakPolarHBondContact O-CB 3.48Å; A216-V219 PolarHBondContact O-N 2.96Å; A216-V219 VanDerWaalsContact O-N 3.14Å; R217-V219 PolarHBondContact O-N 2.92Å; V219-E221 VanDerWaalsContact C-N 3.31Å; V219-E221 PolarHBondContact O-N 3.1Å; V219-N222 WeakPolarHBondContact O-CA 3.36Å; V219-N222 PolarHBondContact O-N 3.15Å; V219-L224 HydrophobicContact CG2-CB 4.44Å; V219-L224 HydrophobicContact CG2-CD2 3.93Å; V219-Y231 HydrophobicContact CG1-CD1 3.96Å; V219-Y231 HydrophobicContact CG1-CD2 4.41Å; V219-Y231 HydrophobicContact CG1-CE1 4.05Å; V219-Y231 HydrophobicContact CG1-CE2 4.5Å; V219-Y231 HydrophobicContact CG1-CG 4.15Å; V219-Y231 WeakPolarHBondContact O-CD2 3.39Å
220L91.3Very high87.6Confident10 Ų1064.1 Ų64.15%0.05235%0.345CS..Hα-helixtrans-66.7-28.6-178.5-67.3-179.1000113.6I204 L207 A216 R217 N222 Y265 I268 M272I204-L220 HydrophobicContact CB-CD2 4.06Å; I204-L220 HydrophobicContact CG1-CD2 3.92Å; L207-L220 HydrophobicContact CD1-CD1 4.22Å; L207-L220 HydrophobicContact CD2-CD1 4.24Å; A216-L220 PolarHBondContact O-N 3.29Å; R217-L220 PolarHBondContact O-N 3.36Å; L220-N222 PolarHBondContact O-N 2.81Å; L220-Y265 HydrophobicContact CD1-CD1 4Å; L220-Y265 HydrophobicContact CD1-CE1 3.85Å; L220-I268 HydrophobicContact CB-CD1 3.98Å; L220-I268 HydrophobicContact CD1-CD1 4.43Å; L220-M272 HydrophobicContact CB-CE 3.84Å; L220-M272 HydrophobicContact CD1-CE 4.4Å; L220-M272 HydrophobicContact CD1-SD 4.38Å; L220-M272 HydrophobicContact CD2-CE 4.17Å; L220-M272 HydrophobicContact CD2-SD 4.07Å; L220-M272 HydrophobicContact CG-CE 4.36Å
221E90.9Very high87.8Confident55 Ų5562.8 Ų62.826%0.25734%0.338SS..THydrogen-bonded Turntrans-80.75170.4-69.2-175.6176.600113.1R217 V219 K223 H267R217-E221 HydrophobicContact CG-CG 4.16Å; R217-E221 IonicContact CZ-OE1 2.77Å; R217-E221 IonicContact NE-OE1 2.78Å; R217-E221 PolarHBondContact NE-OE1 3.2Å; R217-E221 IonicContact NE-OE2 3.75Å; R217-E221 IonicContact NH2-OE1 3.11Å; R217-E221 PolarHBondContact NH2-OE1 3Å; R217-E221 VanDerWaalsContact NH2-OE1 3.11Å; R217-E221 WeakPolarHBondContact O-CB 3.34Å; R217-E221 WeakPolarHBondContact O-CG 3.26Å; R217-E221 PolarHBondContact O-N 3.18Å; V219-E221 VanDerWaalsContact C-N 3.31Å; V219-E221 PolarHBondContact O-N 3.1Å; E221-K223 VanDerWaalsContact C-N 3.31Å; E221-K223 HydrophobicContact CB-CD 4.15Å; E221-K223 HydrophobicContact CB-CG 4.33Å; E221-K223 PolarHBondContact O-N 3.01Å; E221-K223 WeakPolarHBondContact OE2-CE 3.45Å; E221-K223 IonicContact OE2-NZ 2.66Å; E221-K223 PolarHBondContact OE2-NZ 3.07Å; E221-H267 IonicContact OE1-CD2 3.63Å; E221-H267 IonicContact OE1-CE1 3.88Å; E221-H267 IonicContact OE1-NE2 2.83Å; E221-H267 PolarHBondContact OE1-NE2 3.36Å
222N90.8Very high88.3Confident39 Ų3957 Ų5721%0.20931%0.307CS..THydrogen-bonded Turntrans62.628.6175.8-157.145.4000114.5V219 L220 L227 Y231V219-N222 WeakPolarHBondContact O-CA 3.36Å; V219-N222 PolarHBondContact O-N 3.15Å; L220-N222 PolarHBondContact O-N 2.81Å; N222-L227 PolarHBondContact ND2-O 3.23Å; N222-L227 PolarHBondContact OD1-N 3.1Å; N222-L227 PolarHBondContact OD1-O 2.87Å; N222-Y231 HydrophobicContact CB-CD2 4.48Å; N222-Y231 WeakPolarHBondContact OD1-CD2 3.25Å; N222-Y231 VanDerWaalsContact OD1-CE2 3.28Å; N222-Y231 WeakPolarHBondContact OD1-CE2 3.41Å
223K87.1Confident89Confident119 Ų11947.3 Ų47.352%0.51726%0.261SS..  trans-91.7-43.6-178.1-65.4161.4168.6169.90113.3D218 E221D218-K223 HydrophobicContact CB-CB 4.45Å; D218-K223 HydrophobicContact CB-CD 4.26Å; D218-K223 WeakPolarHBondContact O-CB 3.41Å; D218-K223 PolarHBondContact O-N 2.95Å; D218-K223 WeakPolarHBondContact OD1-CD 3.3Å; D218-K223 IonicContact OD1-NZ 3.55Å; D218-K223 PolarHBondContact OD1-NZ 3.22Å; E221-K223 VanDerWaalsContact C-N 3.31Å; E221-K223 HydrophobicContact CB-CD 4.15Å; E221-K223 HydrophobicContact CB-CG 4.33Å; E221-K223 PolarHBondContact O-N 3.01Å; E221-K223 WeakPolarHBondContact OE2-CE 3.45Å; E221-K223 IonicContact OE2-NZ 2.66Å; E221-K223 PolarHBondContact OE2-NZ 3.07Å
224L83.2Confident89.7Confident110 Ų11043.1 Ų43.158%0.57622%0.218SC*.SBendtrans-69.8-49.4-171-177.564.7000112.6L181 D218 V219L181-L224 HydrophobicContact CB-CD2 4.27Å; L181-L224 HydrophobicContact CD2-CD2 4.04Å; L181-L224 HydrophobicContact CD2-CG 4.48Å; D218-L224 PolarHBondContact O-N 3.26Å; D218-L224 VanDerWaalsContact O-N 3.16Å; V219-L224 HydrophobicContact CG2-CB 4.44Å; V219-L224 HydrophobicContact CG2-CD2 3.93Å
225L84.6Confident90.1Very high36 Ų3640.6 Ų40.619%0.18820%0.202CC..SBendtrans-134.891.5175.2176.560.9000109.3L181 L187 K191 L227 Y231L181-L225 HydrophobicContact CD2-CB 3.82Å; L181-L225 HydrophobicContact CD2-CD2 4.48Å; L187-L225 HydrophobicContact CB-CD2 4.4Å; L187-L225 HydrophobicContact CD1-CD2 4.2Å; K191-L225 VanDerWaalsContact CE-CD1 3.47Å; K191-L225 VanDerWaalsContact NZ-CD1 3.26Å; L225-L227 PolarHBondContact O-N 3.46Å; L225-Y231 WeakPolarHBondContact O-CE2 3.34Å; L225-Y231 PolarHBondContact O-OH 3.45Å
226P86.8Confident90.1Very high46 Ų4638 Ų3830%0.29919%0.189SC..  trans-63.5126.3-172.821.1-31.7000113.3V750P226-V750 HydrophobicContact CB-CB 4.02Å; P226-V750 HydrophobicContact CB-CG1 3.4Å; P226-V750 HydrophobicContact CG-CG1 4.3Å
227L90.1Very high89.9Confident11 Ų1138.5 Ų38.56%0.05819%0.188CC..  trans-109.8144.1166.4-64.7177.4000110L187 T200 N222 L225 R229 G230 Y231L187-L227 HydrophobicContact CD2-CD1 4.18Å; T200-L227 HydrophobicContact CG2-CD1 4.12Å; T200-L227 HydrophobicContact CG2-CD2 4.09Å; N222-L227 PolarHBondContact ND2-O 3.23Å; N222-L227 PolarHBondContact OD1-N 3.1Å; N222-L227 PolarHBondContact OD1-O 2.87Å; L225-L227 PolarHBondContact O-N 3.46Å; L227-R229 PolarHBondContact O-N 2.86Å; L227-G230 PolarHBondContact O-N 2.91Å; L227-G230 VanDerWaalsContact O-N 3.13Å; L227-Y231 HydrophobicContact CB-CE2 4.37Å; L227-Y231 HydrophobicContact CD1-CD1 4.36Å; L227-Y231 HydrophobicContact CD1-CE1 3.75Å; L227-Y231 HydrophobicContact CD1-CE2 3.97Å; L227-Y231 HydrophobicContact CG-CE1 4.5Å; L227-Y231 HydrophobicContact CG-CE2 3.96Å
228R87.1Confident89.6Confident62 Ų6236 Ų3623%0.23419%0.185CC..THydrogen-bonded Turntrans-67.1-26.5-179.5-165.7175.5178.7-165.4-5112.9G197 P747 V750G197-R228 WeakPolarHBondContact O-CB 3.43Å; G197-R228 PolarHBondContact O-N 3.28Å; G197-R228 VanDerWaalsContact O-N 3.16Å; R228-P747 PolarHBondContact NE-O 2.95Å; R228-P747 PolarHBondContact NH2-O 3.28Å; R228-V750 HydrophobicContact CB-CG2 4.47Å
229R89.3Confident89.1Confident33 Ų3337.3 Ų37.313%0.12519%0.189CC..THydrogen-bonded Turntrans-99.71.5175.5-51.9-169.8-171.3-138.512.9113.4L198 I201 L227L198-R229 VanDerWaalsContact O-CZ 3.27Å; L198-R229 PolarHBondContact O-NE 2.87Å; L198-R229 PolarHBondContact O-NH2 3.41Å; I201-R229 HydrophobicContact CG1-CB 3.82Å; I201-R229 HydrophobicContact CG1-CG 4.36Å; L227-R229 PolarHBondContact O-N 2.86Å
230G92.1Very high88.7Confident15 Ų1545.1 Ų45.116%0.15522%0.221CC..  trans70.8-168.2175.900000115.2G202 L227G202-G230 PolarHBondContact N-O 2.78Å; G202-G230 VanDerWaalsContact N-O 3.08Å; L227-G230 PolarHBondContact O-N 2.91Å; L227-G230 VanDerWaalsContact O-N 3.13Å
231Y93.8Very high88.3Confident12 Ų1246.6 Ų46.65%0.04723%0.229CC..EExtended strand (participates in β ladder)trans-117.1148.3176.9-65.3-93.6000111.3L181 L187 G202 I204 V219 N222 L225 L227L181-Y231 HydrophobicContact CD1-CE1 4.46Å; L187-Y231 HydrophobicContact CD1-CE1 4.41Å; G202-Y231 CarbonylContact O-C 3.55Å; G202-Y231 VanDerWaalsContact O-CA 3.3Å; G202-Y231 WeakPolarHBondContact O-CA 3.27Å; I204-Y231 HydrophobicContact CD1-CD1 3.84Å; I204-Y231 HydrophobicContact CD1-CE1 4.27Å; I204-Y231 HydrophobicContact CG1-CD1 3.99Å; V219-Y231 HydrophobicContact CG1-CD1 3.96Å; V219-Y231 HydrophobicContact CG1-CD2 4.41Å; V219-Y231 HydrophobicContact CG1-CE1 4.05Å; V219-Y231 HydrophobicContact CG1-CE2 4.5Å; V219-Y231 HydrophobicContact CG1-CG 4.15Å; V219-Y231 WeakPolarHBondContact O-CD2 3.39Å; N222-Y231 HydrophobicContact CB-CD2 4.48Å; N222-Y231 WeakPolarHBondContact OD1-CD2 3.25Å; N222-Y231 VanDerWaalsContact OD1-CE2 3.28Å; N222-Y231 WeakPolarHBondContact OD1-CE2 3.41Å; L225-Y231 WeakPolarHBondContact O-CE2 3.34Å; L225-Y231 PolarHBondContact O-OH 3.45Å; L227-Y231 HydrophobicContact CB-CE2 4.37Å; L227-Y231 HydrophobicContact CD1-CD1 4.36Å; L227-Y231 HydrophobicContact CD1-CE1 3.75Å; L227-Y231 HydrophobicContact CD1-CE2 3.97Å; L227-Y231 HydrophobicContact CG-CE1 4.5Å; L227-Y231 HydrophobicContact CG-CE2 3.96Å
232I95.5Very high87.7Confident9 Ų945.2 Ų45.25%0.04622%0.224CC..EExtended strand (participates in β ladder)trans-128.3122.6171.5-56.4178.5000108.7G202 V203 I204 L277 V280G202-I232 PolarHBondContact O-N 2.96Å; V203-I232 WeakPolarHBondContact CA-O 3.41Å; I204-I232 PolarHBondContact N-O 3.36Å; I232-L277 HydrophobicContact CB-CD1 4.27Å; I232-L277 HydrophobicContact CD1-CB 4.42Å; I232-L277 HydrophobicContact CD1-CD1 3.83Å; I232-L277 HydrophobicContact CG2-CB 4.02Å; I232-V280 HydrophobicContact CD1-CB 3.75Å; I232-V280 HydrophobicContact CD1-CG1 3.93Å; I232-V280 HydrophobicContact CD1-CG2 3.81Å
233G94.9Very high87.1Confident0 Ų048.7 Ų48.70%024%0.242CC..EExtended strand (participates in β ladder)trans-80.6137.6173.100000111.2I204 F259 M272 G273I204-G233 CarbonylContact O-C 3.59Å; I204-G233 WeakPolarHBondContact O-CA 3.33Å; G233-F259 WeakPolarHBondContact O-CZ 3.36Å; G233-M272 PolarHBondContact N-SD 3.12Å; G233-G273 WeakPolarHBondContact O-CA 3.28Å; G233-G273 PolarHBondContact O-N 2.92Å
234V94.5Very high86.7Confident0 Ų046 Ų460%025%0.248CC..  trans-135.1145.9175.5-61.10000111V47 V203 I204 T205 E255 L277V47-V234 HydrophobicContact CG2-CG2 4.06Å; V203-V234 HydrophobicContact CG1-CG1 4.48Å; V203-V234 HydrophobicContact CG1-CG2 3.77Å; I204-V234 PolarHBondContact O-N 3.19Å; T205-V234 HydrophobicContact CG2-CG2 3.79Å; V234-E255 VanDerWaalsContact CA-OE1 3.29Å; V234-E255 WeakPolarHBondContact CA-OE1 3.43Å; V234-L277 HydrophobicContact CG1-CB 4.42Å; V234-L277 HydrophobicContact CG1-CD2 3.85Å
235V92.2Very high86.6Confident19 Ų1949.1 Ų49.112%0.11526%0.257CS..  trans-117.2116.7175.6179.60000108.3L207 D208 E255 F258 F259L207-V235 HydrophobicContact CB-CG2 4.31Å; D208-V235 HydrophobicContact CB-CG1 4.02Å; V235-E255 HydrophobicContact CB-CB 4.29Å; V235-E255 HydrophobicContact CB-CG 4.08Å; V235-E255 PolarHBondContact N-OE1 2.73Å; V235-F258 HydrophobicContact CG2-CD1 3.55Å; V235-F258 HydrophobicContact CG2-CE1 3.76Å; V235-F258 HydrophobicContact CG2-CG 4.15Å; V235-F258 HydrophobicContact CG2-CZ 4.49Å; V235-F259 HydrophobicContact CG2-CE2 4.14Å; V235-F259 HydrophobicContact CG2-CZ 4.15Å
236N89Confident86.4Confident20 Ų2050.6 Ų50.611%0.10726%0.262CS..PPolyproline II helixtrans-95.5164.8-175.1-64.2-23.1000110.7S46 N50 S238S46-N236 WeakPolarHBondContact CB-ND2 3.46Å; N50-N236 PolarHBondContact ND2-OD1 2.75Å; N236-S238 PolarHBondContact O-N 3.19Å
237R86.6Confident86.2Confident18 Ų1853 Ų537%0.06827%0.272CS..PPolyproline II helixtrans-60.4131.4167.2-72.7178.7-70.3151.912.3109.5D55 D241 I242 K246 I248 A251D55-R237 VanDerWaalsContact CG-NH2 3.29Å; D55-R237 IonicContact OD1-CZ 2.7Å; D55-R237 IonicContact OD1-NH1 2.79Å; D55-R237 IonicContact OD1-NH2 3.18Å; D55-R237 PolarHBondContact OD1-NH2 3.29Å; D55-R237 IonicContact OD2-CZ 2.72Å; D55-R237 IonicContact OD2-NH1 2.67Å; D55-R237 PolarHBondContact OD2-NH1 2.82Å; D55-R237 IonicContact OD2-NH2 3.74Å; D55-R237 PolarHBondContact OD2-NH2 3.23Å; R237-D241 HydrophobicContact CB-CB 3.84Å; R237-D241 HydrophobicContact CG-CB 4.2Å; R237-I242 HydrophobicContact CB-CG1 3.96Å; R237-K246 WeakPolarHBondContact CD-O 3.36Å; R237-K246 PolarHBondContact NH1-O 3.38Å; R237-I248 VanDerWaalsContact CZ-CG1 3.45Å; R237-A251 HydrophobicContact CG-CB 3.53Å
238S83.1Confident85.6Confident41 Ų4153.1 Ų53.129%0.28727%0.272SS..PPolyproline II helixtrans-69.6166.3171.971.40000110.8N236 K240 D241 I242N236-S238 PolarHBondContact O-N 3.19Å; S238-K240 PolarHBondContact O-N 3.4Å; S238-D241 VanDerWaalsContact CB-OD2 3.29Å; S238-D241 WeakPolarHBondContact CB-OD2 3.41Å; S238-D241 PolarHBondContact N-OD2 3.21Å; S238-D241 WeakPolarHBondContact O-CB 3.48Å; S238-D241 PolarHBondContact O-N 2.98Å; S238-D241 VanDerWaalsContact OG-CG 3.23Å; S238-D241 PolarHBondContact OG-N 3.21Å; S238-D241 PolarHBondContact OG-OD2 2.78Å; S238-I242 WeakPolarHBondContact O-CG1 3.42Å; S238-I242 PolarHBondContact O-N 2.94Å
239Q79.2Confident85.4Confident112 Ų11256.8 Ų56.852%0.52329%0.29SS..Hα-helixtrans-56.8-39.7176.1-169.760.64900111.7D241 I242 D243Q239-D241 VanDerWaalsContact C-N 3.33Å; Q239-D241 PolarHBondContact O-N 3.49Å; Q239-I242 WeakPolarHBondContact O-CB 3.33Å; Q239-I242 PolarHBondContact O-N 3.34Å; Q239-I242 VanDerWaalsContact O-N 3.14Å; Q239-D243 PolarHBondContact NE2-OD1 3.48Å; Q239-D243 PolarHBondContact O-N 2.97Å
240K81.1Confident85.2Confident180 Ų18057.2 Ų57.278%0.78330%0.3SS*.Hα-helixtrans-63-36.5175.1-66.2-177.6178.7178.60113S238 I242 G244S238-K240 PolarHBondContact O-N 3.4Å; K240-I242 VanDerWaalsContact C-N 3.35Å; K240-G244 PolarHBondContact O-N 3.25Å
241D82Confident85Confident42 Ų4257 Ų5723%0.22530%0.298CS..Hα-helixtrans-68.5-35.4175-64.5-64000111.6R237 S238 Q239 G244 K245 K246R237-D241 HydrophobicContact CB-CB 3.84Å; R237-D241 HydrophobicContact CG-CB 4.2Å; S238-D241 VanDerWaalsContact CB-OD2 3.29Å; S238-D241 WeakPolarHBondContact CB-OD2 3.41Å; S238-D241 PolarHBondContact N-OD2 3.21Å; S238-D241 WeakPolarHBondContact O-CB 3.48Å; S238-D241 PolarHBondContact O-N 2.98Å; S238-D241 VanDerWaalsContact OG-CG 3.23Å; S238-D241 PolarHBondContact OG-N 3.21Å; S238-D241 PolarHBondContact OG-OD2 2.78Å; Q239-D241 VanDerWaalsContact C-N 3.33Å; Q239-D241 PolarHBondContact O-N 3.49Å; D241-G244 CarbonylContact O-C 3.57Å; D241-K245 PolarHBondContact O-N 3.32Å; D241-K246 HydrophobicContact CB-CB 4Å; D241-K246 HydrophobicContact CB-CD 3.67Å; D241-K246 VanDerWaalsContact O-CB 3.22Å; D241-K246 WeakPolarHBondContact O-CB 3.48Å; D241-K246 PolarHBondContact O-N 3Å; D241-K246 WeakPolarHBondContact OD1-CD 3.33Å; D241-K246 WeakPolarHBondContact OD1-CE 3.45Å; D241-K246 IonicContact OD1-NZ 2.8Å; D241-K246 PolarHBondContact OD1-NZ 2.65Å; D241-K246 IonicContact OD2-NZ 3.21Å
242I78.9Confident84.6Confident26 Ų2659 Ų5913%0.13331%0.309CS..Hα-helixtrans-70.6-49.5177.5-66.2163.9000110.2R237 S238 Q239 K240 G244 K245R237-I242 HydrophobicContact CB-CG1 3.96Å; S238-I242 WeakPolarHBondContact O-CG1 3.42Å; S238-I242 PolarHBondContact O-N 2.94Å; Q239-I242 WeakPolarHBondContact O-CB 3.33Å; Q239-I242 PolarHBondContact O-N 3.34Å; Q239-I242 VanDerWaalsContact O-N 3.14Å; K240-I242 VanDerWaalsContact C-N 3.35Å; I242-G244 PolarHBondContact O-N 3.03Å; I242-K245 WeakPolarHBondContact O-CA 3.39Å; I242-K245 PolarHBondContact O-N 3.46Å
243D78Confident84.2Confident112 Ų11265.2 Ų65.260%0.59934%0.338SS*.Hα-helixtrans-60.6-37.6177.2-57.6-21.2000110.9Q239 K245Q239-D243 PolarHBondContact NE2-OD1 3.48Å; Q239-D243 PolarHBondContact O-N 2.97Å; D243-K245 PolarHBondContact O-N 3.28Å
244G79.9Confident84Confident62 Ų6267.2 Ų67.264%0.63935%0.354SS*.THydrogen-bonded Turntrans-77.26.4172.700000115.4K240 D241 I242 K246K240-G244 PolarHBondContact O-N 3.25Å; D241-G244 CarbonylContact O-C 3.57Å; I242-G244 PolarHBondContact O-N 3.03Å; G244-K246 VanDerWaalsContact C-N 3.26Å; G244-K246 PolarHBondContact O-N 3.34Å
245K79.8Confident83.9Confident176 Ų17667.4 Ų67.477%0.76536%0.355SS*.THydrogen-bonded Turntrans4841-178.6-61-166.4176.8-165.30114.3D241 I242 D243 D247D241-K245 PolarHBondContact O-N 3.32Å; I242-K245 WeakPolarHBondContact O-CA 3.39Å; I242-K245 PolarHBondContact O-N 3.46Å; D243-K245 PolarHBondContact O-N 3.28Å; K245-D247 PolarHBondContact O-N 3.01Å
246K81.1Confident83.9Confident67 Ų6771.5 Ų71.529%0.29137%0.369SS..  trans-59.8125.8177.7-175.6178.1-172.3176.80110.8R237 D241 G244R237-K246 WeakPolarHBondContact CD-O 3.36Å; R237-K246 PolarHBondContact NH1-O 3.38Å; D241-K246 HydrophobicContact CB-CB 4Å; D241-K246 HydrophobicContact CB-CD 3.67Å; D241-K246 VanDerWaalsContact O-CB 3.22Å; D241-K246 WeakPolarHBondContact O-CB 3.48Å; D241-K246 PolarHBondContact O-N 3Å; D241-K246 WeakPolarHBondContact OD1-CD 3.33Å; D241-K246 WeakPolarHBondContact OD1-CE 3.45Å; D241-K246 IonicContact OD1-NZ 2.8Å; D241-K246 PolarHBondContact OD1-NZ 2.65Å; D241-K246 IonicContact OD2-NZ 3.21Å; G244-K246 VanDerWaalsContact C-N 3.26Å; G244-K246 PolarHBondContact O-N 3.34Å
247D82.1Confident84.1Confident95 Ų9578 Ų7851%0.50840%0.396SS..  trans-59.5145.3177.9178.845.5000112K245 K249 A250 A251K245-D247 PolarHBondContact O-N 3.01Å; D247-K249 VanDerWaalsContact OD2-CB 3.29Å; D247-K249 WeakPolarHBondContact OD2-CB 3.41Å; D247-K249 PolarHBondContact OD2-N 3.26Å; D247-A250 HydrophobicContact CB-CB 4.45Å; D247-A250 PolarHBondContact O-N 2.73Å; D247-A251 PolarHBondContact O-N 2.97Å
248I78.5Confident84.5Confident14 Ų1479 Ų797%0.07240%0.401CS..Hα-helixtrans-75.1-27.8-173.8-70.6162000111.3G53 R237 A251 L252G53-I248 VanDerWaalsContact O-CD1 3.3Å; G53-I248 WeakPolarHBondContact O-CD1 3.35Å; R237-I248 VanDerWaalsContact CZ-CG1 3.45Å; I248-A251 WeakPolarHBondContact O-CB 3.35Å; I248-A251 PolarHBondContact O-N 3.41Å; I248-L252 HydrophobicContact CG2-CD1 4.35Å; I248-L252 HydrophobicContact CG2-CG 4.43Å; I248-L252 WeakPolarHBondContact O-CG 3.29Å; I248-L252 PolarHBondContact O-N 3.42Å
249K81.6Confident85Confident140 Ų14077.1 Ų77.161%0.60939%0.387SS*.Hα-helixtrans-64.8-45.4171.2-59.1175.8178.7172.40110.6D247 A251 L252 E253D247-K249 VanDerWaalsContact OD2-CB 3.29Å; D247-K249 WeakPolarHBondContact OD2-CB 3.41Å; D247-K249 PolarHBondContact OD2-N 3.26Å; K249-A251 PolarHBondContact O-N 3.1Å; K249-L252 PolarHBondContact O-N 2.97Å; K249-E253 WeakPolarHBondContact O-CG 3.44Å; K249-E253 PolarHBondContact O-N 3.33Å
250A86.6Confident85.7Confident41 Ų4175.6 Ų75.634%0.33938%0.382SS..Hα-helixtrans-62-30.2173.600000112.9D247 A254D247-A250 HydrophobicContact CB-CB 4.45Å; D247-A250 PolarHBondContact O-N 2.73Å; A250-A254 VanDerWaalsContact O-CB 3.29Å; A250-A254 WeakPolarHBondContact O-CB 3.31Å; A250-A254 PolarHBondContact O-N 2.93Å
251A85.9Confident86.3Confident12 Ų1271 Ų7110%0.09937%0.373CS..Hα-helixtrans-70.2-44172.500000112.8R237 D247 I248 K249 A254 E255R237-A251 HydrophobicContact CG-CB 3.53Å; D247-A251 PolarHBondContact O-N 2.97Å; I248-A251 WeakPolarHBondContact O-CB 3.35Å; I248-A251 PolarHBondContact O-N 3.41Å; K249-A251 PolarHBondContact O-N 3.1Å; A251-A254 PolarHBondContact O-N 3.24Å; A251-E255 WeakPolarHBondContact O-CB 3.42Å; A251-E255 PolarHBondContact O-N 3.46Å
252L85.6Confident86.8Confident52 Ų5271.2 Ų71.227%0.27237%0.372SS..Hα-helixtrans-65.7-37.3176.2-67.1171.6000112.1I248 K249 E255 R256 T274 P275I248-L252 HydrophobicContact CG2-CD1 4.35Å; I248-L252 HydrophobicContact CG2-CG 4.43Å; I248-L252 WeakPolarHBondContact O-CG 3.29Å; I248-L252 PolarHBondContact O-N 3.42Å; K249-L252 PolarHBondContact O-N 2.97Å; L252-E255 PolarHBondContact O-N 3.33Å; L252-R256 WeakPolarHBondContact O-CB 3.33Å; L252-R256 PolarHBondContact O-N 3.03Å; L252-T274 HydrophobicContact CD2-CG2 4.16Å; L252-P275 HydrophobicContact CD2-CG 4.18Å
253E88.6Confident87.2Confident140 Ų14075.5 Ų75.565%0.65440%0.402SS*.Hα-helixtrans-65-41.2172-73.5177.3-171.500111.9K249 R256 K257K249-E253 WeakPolarHBondContact O-CG 3.44Å; K249-E253 PolarHBondContact O-N 3.33Å; E253-R256 PolarHBondContact O-N 3.29Å; E253-K257 VanDerWaalsContact O-CB 3.31Å; E253-K257 WeakPolarHBondContact O-CB 3.45Å; E253-K257 PolarHBondContact O-N 3.35Å
254A89.8Confident87.7Confident42 Ų4270.5 Ų70.535%0.34738%0.377SS..Hα-helixtrans-65.2-42.2174.900000112.3A250 A251 K257 F258A250-A254 VanDerWaalsContact O-CB 3.29Å; A250-A254 WeakPolarHBondContact O-CB 3.31Å; A250-A254 PolarHBondContact O-N 2.93Å; A251-A254 PolarHBondContact O-N 3.24Å; A254-K257 PolarHBondContact O-N 3.24Å; A254-F258 WeakPolarHBondContact O-CB 3.37Å; A254-F258 PolarHBondContact O-N 3.44Å
255E93.2Very high88.4Confident5 Ų567.6 Ų67.62%0.02335%0.347CS..Hα-helixtrans-58.3-49.3173176179-126.800111V234 V235 A251 L252 K257 F258 F259 G273 T274V234-E255 VanDerWaalsContact CA-OE1 3.29Å; V234-E255 WeakPolarHBondContact CA-OE1 3.43Å; V235-E255 HydrophobicContact CB-CB 4.29Å; V235-E255 HydrophobicContact CB-CG 4.08Å; V235-E255 PolarHBondContact N-OE1 2.73Å; A251-E255 WeakPolarHBondContact O-CB 3.42Å; A251-E255 PolarHBondContact O-N 3.46Å; L252-E255 PolarHBondContact O-N 3.33Å; E255-K257 VanDerWaalsContact C-N 3.34Å; E255-K257 PolarHBondContact O-N 3.42Å; E255-F258 WeakPolarHBondContact O-CB 3.46Å; E255-F258 PolarHBondContact O-N 3.32Å; E255-F259 HydrophobicContact CG-CD2 3.96Å; E255-F259 HydrophobicContact CG-CE2 3.72Å; E255-F259 VanDerWaalsContact O-CD2 3.25Å; E255-F259 WeakPolarHBondContact O-CD2 3.47Å; E255-F259 PolarHBondContact O-N 3.05Å; E255-F259 VanDerWaalsContact O-N 3.14Å; E255-G273 VanDerWaalsContact CD-CA 3.45Å; E255-G273 WeakPolarHBondContact OE1-CA 3.04Å; E255-G273 WeakPolarHBondContact OE2-CA 3.35Å; E255-T274 VanDerWaalsContact CD-N 3.29Å; E255-T274 PolarHBondContact OE1-N 3.47Å; E255-T274 VanDerWaalsContact OE1-N 3.13Å; E255-T274 PolarHBondContact OE1-OG1 3.41Å; E255-T274 WeakPolarHBondContact OE2-CB 3.47Å; E255-T274 PolarHBondContact OE2-N 3.18Å; E255-T274 PolarHBondContact OE2-OG1 2.93Å
256R91.6Very high89Confident105 Ų10567.9 Ų67.940%0.39634%0.343SS..Hα-helixtrans-62.9-40177.9-176.958.3174.1174.42.6111.9L252 E253 L260 A269 D270L252-R256 WeakPolarHBondContact O-CB 3.33Å; L252-R256 PolarHBondContact O-N 3.03Å; E253-R256 PolarHBondContact O-N 3.29Å; R256-L260 HydrophobicContact CG-CD1 4.09Å; R256-L260 VanDerWaalsContact O-CG 3.31Å; R256-L260 WeakPolarHBondContact O-CG 3.3Å; R256-L260 PolarHBondContact O-N 3.23Å; R256-A269 PolarHBondContact NH1-O 3.43Å; R256-D270 IonicContact CZ-OD1 2.71Å; R256-D270 IonicContact NH1-OD1 3.4Å; R256-D270 PolarHBondContact NH1-OD1 3.09Å; R256-D270 IonicContact NH2-OD1 3.78Å; R256-D270 PolarHBondContact NH2-OD1 3.05Å
257K93.6Very high89.5Confident155 Ų15569.6 Ų69.667%0.67435%0.352SS*.Hα-helixtrans-63.1-44.9175.3-175.3179.1178.3-178.30111.6E253 A254 E255 L260 S261E253-K257 VanDerWaalsContact O-CB 3.31Å; E253-K257 WeakPolarHBondContact O-CB 3.45Å; E253-K257 PolarHBondContact O-N 3.35Å; A254-K257 PolarHBondContact O-N 3.24Å; E255-K257 VanDerWaalsContact C-N 3.34Å; E255-K257 PolarHBondContact O-N 3.42Å; K257-L260 PolarHBondContact O-N 2.92Å; K257-S261 WeakPolarHBondContact O-CB 3.33Å; K257-S261 PolarHBondContact O-N 3.48Å; K257-S261 PolarHBondContact O-OG 3.2Å
258F93.9Very high90Very high40 Ų4065.7 Ų65.718%0.17533%0.331CS..Hα-helixtrans-53.2-58.4176.1171.6-94.6000110.6L207 D208 V235 A254 E255 L260 S261 H262 Y265L207-F258 HydrophobicContact CB-CE1 4Å; L207-F258 HydrophobicContact CB-CZ 4.11Å; D208-F258 HydrophobicContact CB-CE2 4.25Å; V235-F258 HydrophobicContact CG2-CD1 3.55Å; V235-F258 HydrophobicContact CG2-CE1 3.76Å; V235-F258 HydrophobicContact CG2-CG 4.15Å; V235-F258 HydrophobicContact CG2-CZ 4.49Å; A254-F258 WeakPolarHBondContact O-CB 3.37Å; A254-F258 PolarHBondContact O-N 3.44Å; E255-F258 WeakPolarHBondContact O-CB 3.46Å; E255-F258 PolarHBondContact O-N 3.32Å; F258-L260 VanDerWaalsContact C-N 3.29Å; F258-L260 PolarHBondContact O-N 2.66Å; F258-S261 PolarHBondContact O-N 2.85Å; F258-S261 VanDerWaalsContact O-N 3.07Å; F258-S261 PolarHBondContact O-OG 3.01Å; F258-H262 WeakPolarHBondContact O-CB 3.48Å; F258-H262 PolarHBondContact O-N 3.17Å; F258-Y265 AromaticContact CE1-CD2 3.9Å; F258-Y265 HydrophobicContact CE1-CD2 3.9Å; F258-Y265 HydrophobicContact CE1-CE2 4.03Å; F258-Y265 HydrophobicContact CZ-CD2 4.25Å; F258-Y265 HydrophobicContact CZ-CE2 4.06Å
259F94.8Very high90.6Very high2 Ų265 Ų651%0.00933%0.328CS..Hα-helixtrans-60.8-33.2-177.9-75-64.5000114.1L207 G233 V235 E255 Y265 R266 A269 M272L207-F259 HydrophobicContact CD1-CE1 3.88Å; L207-F259 HydrophobicContact CD1-CZ 3.79Å; G233-F259 WeakPolarHBondContact O-CZ 3.36Å; V235-F259 HydrophobicContact CG2-CE2 4.14Å; V235-F259 HydrophobicContact CG2-CZ 4.15Å; E255-F259 HydrophobicContact CG-CD2 3.96Å; E255-F259 HydrophobicContact CG-CE2 3.72Å; E255-F259 VanDerWaalsContact O-CD2 3.25Å; E255-F259 WeakPolarHBondContact O-CD2 3.47Å; E255-F259 PolarHBondContact O-N 3.05Å; E255-F259 VanDerWaalsContact O-N 3.14Å; F259-Y265 HydrophobicContact CD1-CD2 4.23Å; F259-Y265 HydrophobicContact CD1-CG 4.39Å; F259-Y265 HydrophobicContact CE1-CD2 4.32Å; F259-R266 WeakPolarHBondContact O-CA 3.48Å; F259-A269 HydrophobicContact CB-CB 3.87Å; F259-M272 HydrophobicContact CD1-CB 3.81Å; F259-M272 HydrophobicContact CD1-CG 4.18Å; F259-M272 HydrophobicContact CD2-CB 4.06Å; F259-M272 HydrophobicContact CE1-CB 3.68Å; F259-M272 HydrophobicContact CE1-CG 4Å; F259-M272 HydrophobicContact CE2-CB 3.93Å; F259-M272 HydrophobicContact CG-CB 4.01Å; F259-M272 HydrophobicContact CZ-CB 3.76Å; F259-M272 HydrophobicContact CZ-CG 4.46Å
260L93.8Very high90.9Very high79 Ų7964 Ų6441%0.41433%0.329SS..Hα-helixtrans-75.4-31.6176.1-70.7172.2000113.3R256 K257 F258 R266 A269R256-L260 HydrophobicContact CG-CD1 4.09Å; R256-L260 VanDerWaalsContact O-CG 3.31Å; R256-L260 WeakPolarHBondContact O-CG 3.3Å; R256-L260 PolarHBondContact O-N 3.23Å; K257-L260 PolarHBondContact O-N 2.92Å; F258-L260 VanDerWaalsContact C-N 3.29Å; F258-L260 PolarHBondContact O-N 2.66Å; L260-R266 WeakPolarHBondContact O-CD 3.25Å; L260-R266 WeakPolarHBondContact O-CG 3.45Å; L260-A269 HydrophobicContact CD2-CB 3.91Å; L260-A269 HydrophobicContact CG-CB 4.42Å
261S92.9Very high91.1Very high83 Ų8368.7 Ų68.758%0.5834%0.341SS*.Hα-helixtrans-84-29.2179.265.70000114.1K257 F258K257-S261 WeakPolarHBondContact O-CB 3.33Å; K257-S261 PolarHBondContact O-N 3.48Å; K257-S261 PolarHBondContact O-OG 3.2Å; F258-S261 PolarHBondContact O-N 2.85Å; F258-S261 VanDerWaalsContact O-N 3.07Å; F258-S261 PolarHBondContact O-OG 3.01Å
262H91.8Very high91.5Very high48 Ų4868.7 Ų68.722%0.22234%0.34CS..  trans-74.4121.3-172-164.4-93.4000111.5F258 G264 Y265 R266F258-H262 WeakPolarHBondContact O-CB 3.48Å; F258-H262 PolarHBondContact O-N 3.17Å; H262-G264 VanDerWaalsContact C-N 3.3Å; H262-G264 PolarHBondContact ND1-N 2.66Å; H262-G264 PolarHBondContact O-N 3.16Å; H262-Y265 HydrophobicContact CB-CD2 3.87Å; H262-Y265 HydrophobicContact CB-CG 4.45Å; H262-Y265 AromaticContact CE1-CD2 3.87Å; H262-Y265 AromaticContact CE1-CE2 3.6Å; H262-Y265 AromaticContact CG-CD2 3.55Å; H262-Y265 AromaticContact CG-CE2 3.94Å; H262-Y265 AromaticContact ND1-CD2 3.13Å; H262-Y265 WeakPolarHBondContact ND1-CD2 3.33Å; H262-Y265 AromaticContact ND1-CE2 3.37Å; H262-Y265 WeakPolarHBondContact ND1-CE2 3.42Å; H262-Y265 AromaticContact ND1-CG 3.61Å; H262-Y265 PolarHBondContact O-N 3.02Å; H262-Y265 VanDerWaalsContact O-N 3.07Å; H262-R266 WeakPolarHBondContact O-CB 3.38Å; H262-R266 PolarHBondContact O-N 2.97Å
263P89.3Confident91.8Very high115 Ų11566.4 Ų66.475%0.74733%0.328SS*.THydrogen-bonded Turntrans-62-35.7-171.523.8-33.5000112.9
264G87.9Confident91.8Very high8 Ų859.8 Ų59.88%0.08230%0.297CS..THydrogen-bonded Turntrans-76.1-14.1178.100000115.5H262 H267H262-G264 VanDerWaalsContact C-N 3.3Å; H262-G264 PolarHBondContact ND1-N 2.66Å; H262-G264 PolarHBondContact O-N 3.16Å; G264-H267 PolarHBondContact O-CE1 2.96Å; G264-H267 VanDerWaalsContact O-CE1 3.28Å
265Y93.6Very high91.6Very high1 Ų160.7 Ų60.70%0.00430%0.3CS..THydrogen-bonded Turntrans-121.7-10.8-174.1-52-39.5000114.9L207 D215 A216 R217 L220 F258 F259 H262 H267 I268 A269L207-Y265 HydrophobicContact CB-CE2 4.46Å; L207-Y265 HydrophobicContact CD2-CE2 4.29Å; D215-Y265 HydrophobicContact CB-CE1 4.16Å; A216-Y265 PolarHBondContact N-OH 3.34Å; R217-Y265 HydrophobicContact CB-CE1 4.39Å; L220-Y265 HydrophobicContact CD1-CD1 4Å; L220-Y265 HydrophobicContact CD1-CE1 3.85Å; F258-Y265 AromaticContact CE1-CD2 3.9Å; F258-Y265 HydrophobicContact CE1-CD2 3.9Å; F258-Y265 HydrophobicContact CE1-CE2 4.03Å; F258-Y265 HydrophobicContact CZ-CD2 4.25Å; F258-Y265 HydrophobicContact CZ-CE2 4.06Å; F259-Y265 HydrophobicContact CD1-CD2 4.23Å; F259-Y265 HydrophobicContact CD1-CG 4.39Å; F259-Y265 HydrophobicContact CE1-CD2 4.32Å; H262-Y265 HydrophobicContact CB-CD2 3.87Å; H262-Y265 HydrophobicContact CB-CG 4.45Å; H262-Y265 AromaticContact CE1-CD2 3.87Å; H262-Y265 AromaticContact CE1-CE2 3.6Å; H262-Y265 AromaticContact CG-CD2 3.55Å; H262-Y265 AromaticContact CG-CE2 3.94Å; H262-Y265 AromaticContact ND1-CD2 3.13Å; H262-Y265 WeakPolarHBondContact ND1-CD2 3.33Å; H262-Y265 AromaticContact ND1-CE2 3.37Å; H262-Y265 WeakPolarHBondContact ND1-CE2 3.42Å; H262-Y265 AromaticContact ND1-CG 3.61Å; H262-Y265 PolarHBondContact O-N 3.02Å; H262-Y265 VanDerWaalsContact O-N 3.07Å; Y265-H267 VanDerWaalsContact C-N 3.25Å; Y265-H267 PolarHBondContact O-N 2.98Å; Y265-H267 VanDerWaalsContact O-N 3.13Å; Y265-I268 HydrophobicContact CD1-CD1 4.28Å; Y265-I268 CarbonylContact O-C 3.49Å; Y265-I268 WeakPolarHBondContact O-CG1 3.44Å; Y265-I268 PolarHBondContact O-N 3.45Å; Y265-A269 PolarHBondContact O-N 2.89Å
266R92.4Very high91.4Very high181 Ų18165.4 Ų65.468%0.68332%0.317SS*.THydrogen-bonded Turntrans-54.4-35.5-174.1-178.3174174.5-179.1-0.7114.5F259 L260 H262 I268F259-R266 WeakPolarHBondContact O-CA 3.48Å; L260-R266 WeakPolarHBondContact O-CD 3.25Å; L260-R266 WeakPolarHBondContact O-CG 3.45Å; H262-R266 WeakPolarHBondContact O-CB 3.38Å; H262-R266 PolarHBondContact O-N 2.97Å; R266-I268 VanDerWaalsContact C-N 3.33Å
267H92.1Very high91.3Very high103 Ų10360.4 Ų60.448%0.47730%0.299SS..THydrogen-bonded Turntrans-78-13.9178.765.9-59.8000114.2R217 E221 G264 Y265R217-H267 PolarHBondContact NH2-NE2 3.11Å; E221-H267 IonicContact OE1-CD2 3.63Å; E221-H267 IonicContact OE1-CE1 3.88Å; E221-H267 IonicContact OE1-NE2 2.83Å; E221-H267 PolarHBondContact OE1-NE2 3.36Å; G264-H267 PolarHBondContact O-CE1 2.96Å; G264-H267 VanDerWaalsContact O-CE1 3.28Å; Y265-H267 VanDerWaalsContact C-N 3.25Å; Y265-H267 PolarHBondContact O-N 2.98Å; Y265-H267 VanDerWaalsContact O-N 3.13Å
268I92Very high90.8Very high13 Ų1354.6 Ų54.67%0.06727%0.274CS..THydrogen-bonded Turntrans-112.43.8175.656.3-173.5000113.1L220 Y265 R266 D270 K271 M272L220-I268 HydrophobicContact CB-CD1 3.98Å; L220-I268 HydrophobicContact CD1-CD1 4.43Å; Y265-I268 HydrophobicContact CD1-CD1 4.28Å; Y265-I268 CarbonylContact O-C 3.49Å; Y265-I268 WeakPolarHBondContact O-CG1 3.44Å; Y265-I268 PolarHBondContact O-N 3.45Å; R266-I268 VanDerWaalsContact C-N 3.33Å; I268-D270 PolarHBondContact O-N 2.84Å; I268-K271 WeakPolarHBondContact O-CA 3.42Å; I268-K271 WeakPolarHBondContact O-CB 3.29Å; I268-K271 PolarHBondContact O-N 3.3Å; I268-M272 HydrophobicContact CB-CE 4.2Å; I268-M272 HydrophobicContact CD1-CE 3.97Å; I268-M272 HydrophobicContact CG1-CE 4.24Å; I268-M272 HydrophobicContact CG1-CG 4.43Å; I268-M272 WeakPolarHBondContact O-CG 3.4Å; I268-M272 PolarHBondContact O-N 2.71Å
269A90.7Very high90.3Very high1 Ų157.8 Ų57.81%0.00829%0.289CS..G310 helixtrans-54.7-30-175.200000114.8R256 F259 L260 Y265 K271 M272R256-A269 PolarHBondContact NH1-O 3.43Å; F259-A269 HydrophobicContact CB-CB 3.87Å; L260-A269 HydrophobicContact CD2-CB 3.91Å; L260-A269 HydrophobicContact CG-CB 4.42Å; Y265-A269 PolarHBondContact O-N 2.89Å; A269-K271 VanDerWaalsContact C-N 3.3Å; A269-M272 PolarHBondContact O-N 3.48Å
270D89.7Confident89.9Confident118 Ų11858.6 Ų58.663%0.63130%0.295SS*.G310 helixtrans-78.8-10.6176.7-63.2-28.6000114R256 I268R256-D270 IonicContact CZ-OD1 2.71Å; R256-D270 IonicContact NH1-OD1 3.4Å; R256-D270 PolarHBondContact NH1-OD1 3.09Å; R256-D270 IonicContact NH2-OD1 3.78Å; R256-D270 PolarHBondContact NH2-OD1 3.05Å; I268-D270 PolarHBondContact O-N 2.84Å
271K89.4Confident89.4Confident139 Ų13954.9 Ų54.960%0.60428%0.275SS*.G310 helixtrans-100.6-2.3174.4-61.5179.1-178.81750112.7I268 A269 R276I268-K271 WeakPolarHBondContact O-CA 3.42Å; I268-K271 WeakPolarHBondContact O-CB 3.29Å; I268-K271 PolarHBondContact O-N 3.3Å; A269-K271 VanDerWaalsContact C-N 3.3Å; K271-R276 WeakPolarHBondContact O-CG 3.25Å
272M93.9Very high88.7Confident13 Ų1352.6 Ų52.66%0.06426%0.256CS..  trans-115.9170.5-174.6-58.8-55158.800112.3L220 G233 F259 I268 A269 R276L220-M272 HydrophobicContact CB-CE 3.84Å; L220-M272 HydrophobicContact CD1-CE 4.4Å; L220-M272 HydrophobicContact CD1-SD 4.38Å; L220-M272 HydrophobicContact CD2-CE 4.17Å; L220-M272 HydrophobicContact CD2-SD 4.07Å; L220-M272 HydrophobicContact CG-CE 4.36Å; G233-M272 PolarHBondContact N-SD 3.12Å; F259-M272 HydrophobicContact CD1-CB 3.81Å; F259-M272 HydrophobicContact CD1-CG 4.18Å; F259-M272 HydrophobicContact CD2-CB 4.06Å; F259-M272 HydrophobicContact CE1-CB 3.68Å; F259-M272 HydrophobicContact CE1-CG 4Å; F259-M272 HydrophobicContact CE2-CB 3.93Å; F259-M272 HydrophobicContact CG-CB 4.01Å; F259-M272 HydrophobicContact CZ-CB 3.76Å; F259-M272 HydrophobicContact CZ-CG 4.46Å; I268-M272 HydrophobicContact CB-CE 4.2Å; I268-M272 HydrophobicContact CD1-CE 3.97Å; I268-M272 HydrophobicContact CG1-CE 4.24Å; I268-M272 HydrophobicContact CG1-CG 4.43Å; I268-M272 WeakPolarHBondContact O-CG 3.4Å; I268-M272 PolarHBondContact O-N 2.71Å; A269-M272 PolarHBondContact O-N 3.48Å; M272-R276 WeakPolarHBondContact O-CB 3.49Å
273G92.8Very high88.2Confident3 Ų352.8 Ų52.83%0.03126%0.257CS..SBendtrans92159.5177.400000114.6G233 E255 P275 R276 L277G233-G273 WeakPolarHBondContact O-CA 3.28Å; G233-G273 PolarHBondContact O-N 2.92Å; E255-G273 VanDerWaalsContact CD-CA 3.45Å; E255-G273 WeakPolarHBondContact OE1-CA 3.04Å; E255-G273 WeakPolarHBondContact OE2-CA 3.35Å; G273-P275 VanDerWaalsContact C-CD 3.48Å; G273-R276 PolarHBondContact O-N 3.22Å; G273-R276 VanDerWaalsContact O-N 3.11Å; G273-L277 PolarHBondContact O-N 3.44Å
274T89Confident87.9Confident1 Ų149 Ų491%0.00623%0.229CC..Hα-helixtrans-53.3-45.4-179.5-57.60000113N50 F51 L252 E255 R276 L277 Q278N50-T274 HydrophobicContact CB-CG2 3.7Å; F51-T274 HydrophobicContact CD1-CG2 3.9Å; F51-T274 HydrophobicContact CE1-CG2 4.06Å; L252-T274 HydrophobicContact CD2-CG2 4.16Å; E255-T274 VanDerWaalsContact CD-N 3.29Å; E255-T274 PolarHBondContact OE1-N 3.47Å; E255-T274 VanDerWaalsContact OE1-N 3.13Å; E255-T274 PolarHBondContact OE1-OG1 3.41Å; E255-T274 WeakPolarHBondContact OE2-CB 3.47Å; E255-T274 PolarHBondContact OE2-N 3.18Å; E255-T274 PolarHBondContact OE2-OG1 2.93Å; T274-R276 PolarHBondContact O-N 3.22Å; T274-L277 WeakPolarHBondContact O-CB 3.29Å; T274-L277 PolarHBondContact O-N 2.81Å; T274-L277 VanDerWaalsContact O-N 3.13Å; T274-Q278 WeakPolarHBondContact O-CG 3.25Å; T274-Q278 PolarHBondContact O-N 3.08Å
275P86.3Confident87.4Confident62 Ų6248.6 Ų48.640%0.40323%0.226SC..Hα-helixtrans-63.4-32.6-179.5-22.135000112.3L252 G273 Q279L252-P275 HydrophobicContact CD2-CG 4.18Å; G273-P275 VanDerWaalsContact C-CD 3.48Å; P275-Q279 WeakPolarHBondContact O-CG 3.25Å; P275-Q279 PolarHBondContact O-N 3.24Å
276R88.7Confident86.5Confident103 Ų10348.6 Ų48.639%0.38923%0.226SC..Hα-helixtrans-73.7-39175.9-17655.9-178.7173.41.1111.5K271 M272 G273 T274 Q279 V280K271-R276 WeakPolarHBondContact O-CG 3.25Å; M272-R276 WeakPolarHBondContact O-CB 3.49Å; G273-R276 PolarHBondContact O-N 3.22Å; G273-R276 VanDerWaalsContact O-N 3.11Å; T274-R276 PolarHBondContact O-N 3.22Å; R276-Q279 VanDerWaalsContact NH1-OE1 3.13Å; R276-Q279 PolarHBondContact O-N 3.08Å; R276-V280 WeakPolarHBondContact O-CG2 3.5Å; R276-V280 PolarHBondContact O-N 2.84Å
277L89.5Confident85.9Confident0 Ų041 Ų410%020%0.199CC..Hα-helixtrans-58.4-48.7173.6-178.455.5000111.2V47 F51 L172 V203 I232 V234 G273 T274 Q279 V280 L281V47-L277 HydrophobicContact CG1-CD2 3.9Å; F51-L277 HydrophobicContact CE1-CB 4.35Å; F51-L277 HydrophobicContact CE1-CD2 3.83Å; F51-L277 HydrophobicContact CE1-CG 3.93Å; F51-L277 HydrophobicContact CZ-CD2 3.6Å; F51-L277 HydrophobicContact CZ-CG 3.72Å; L172-L277 HydrophobicContact CD1-CD1 4.43Å; V203-L277 HydrophobicContact CG1-CD2 4.09Å; V203-L277 HydrophobicContact CG2-CD1 3.75Å; V203-L277 HydrophobicContact CG2-CD2 3.8Å; V203-L277 HydrophobicContact CG2-CG 4.47Å; I232-L277 HydrophobicContact CB-CD1 4.27Å; I232-L277 HydrophobicContact CD1-CB 4.42Å; I232-L277 HydrophobicContact CD1-CD1 3.83Å; I232-L277 HydrophobicContact CG2-CB 4.02Å; V234-L277 HydrophobicContact CG1-CB 4.42Å; V234-L277 HydrophobicContact CG1-CD2 3.85Å; G273-L277 PolarHBondContact O-N 3.44Å; T274-L277 WeakPolarHBondContact O-CB 3.29Å; T274-L277 PolarHBondContact O-N 2.81Å; T274-L277 VanDerWaalsContact O-N 3.13Å; L277-Q279 PolarHBondContact O-N 3.29Å; L277-V280 PolarHBondContact O-N 2.9Å; L277-L281 HydrophobicContact CD1-CD1 4.1Å; L277-L281 HydrophobicContact CD1-CD2 4.25Å; L277-L281 HydrophobicContact CD1-CG 3.94Å; L277-L281 HydrophobicContact CG-CD1 4.08Å; L277-L281 HydrophobicContact CG-CG 4.33Å; L277-L281 WeakPolarHBondContact O-CG 3.49Å; L277-L281 PolarHBondContact O-N 2.87Å
278Q82.9Confident85.1Confident34 Ų3436.8 Ų36.816%0.15918%0.179CC..Hα-helixtrans-55.2-48.4176.6-68.5176.410.200112.6N50 F51 T274 V280 L281 N282N50-Q278 PolarHBondContact O-NE2 2.9Å; F51-Q278 HydrophobicContact CD1-CG 3.45Å; F51-Q278 VanDerWaalsContact CD1-CG 3.45Å; F51-Q278 HydrophobicContact CE1-CG 3.82Å; F51-Q278 HydrophobicContact CG-CG 4.19Å; T274-Q278 WeakPolarHBondContact O-CG 3.25Å; T274-Q278 PolarHBondContact O-N 3.08Å; Q278-V280 PolarHBondContact O-N 2.84Å; Q278-L281 PolarHBondContact O-N 3.37Å; Q278-N282 WeakPolarHBondContact O-CB 3.27Å; Q278-N282 PolarHBondContact O-N 3.2Å
279Q82.3Confident84.3Confident106 Ų10636.3 Ų36.350%0.49518%0.177SC..Hα-helixtrans-59.7-44177.2-71.7174.54.800112.3P275 R276 L277 Q283P275-Q279 WeakPolarHBondContact O-CG 3.25Å; P275-Q279 PolarHBondContact O-N 3.24Å; R276-Q279 VanDerWaalsContact NH1-OE1 3.13Å; R276-Q279 PolarHBondContact O-N 3.08Å; L277-Q279 PolarHBondContact O-N 3.29Å; Q279-Q283 WeakPolarHBondContact O-CB 3.11Å; Q279-Q283 PolarHBondContact O-N 2.81Å
280V86.1Confident83.5Confident20 Ų2038.1 Ų38.112%0.12118%0.183CC..Hα-helixtrans-67-44.9179172.30000110.5I232 R276 L277 Q278 N282 Q283 Q284I232-V280 HydrophobicContact CD1-CB 3.75Å; I232-V280 HydrophobicContact CD1-CG1 3.93Å; I232-V280 HydrophobicContact CD1-CG2 3.81Å; R276-V280 WeakPolarHBondContact O-CG2 3.5Å; R276-V280 PolarHBondContact O-N 2.84Å; L277-V280 PolarHBondContact O-N 2.9Å; Q278-V280 PolarHBondContact O-N 2.84Å; V280-N282 PolarHBondContact O-N 2.84Å; V280-Q283 PolarHBondContact O-N 2.88Å; V280-Q284 HydrophobicContact CG1-CG 3.78Å; V280-Q284 VanDerWaalsContact O-CB 3.26Å; V280-Q284 WeakPolarHBondContact O-CB 3.41Å; V280-Q284 WeakPolarHBondContact O-CG 3.47Å; V280-Q284 PolarHBondContact O-N 3.07Å
281L84.8Confident82.9Confident0 Ų037.4 Ų37.40%018%0.18CC..Hα-helixtrans-59.8-45.5177.5-67.7-179.8000112I34 F51 L172 I201 L277 Q278 Q284 L285I34-L281 HydrophobicContact CD1-CB 4.09Å; I34-L281 HydrophobicContact CD1-CD2 4.28Å; F51-L281 HydrophobicContact CE2-CD1 3.53Å; F51-L281 HydrophobicContact CZ-CD1 3.47Å; F51-L281 VanDerWaalsContact CZ-CD1 3.47Å; L172-L281 HydrophobicContact CD1-CD2 3.76Å; L172-L281 HydrophobicContact CD2-CD1 4.07Å; L172-L281 HydrophobicContact CD2-CD2 4.43Å; I201-L281 HydrophobicContact CD1-CD2 3.69Å; L277-L281 HydrophobicContact CD1-CD1 4.1Å; L277-L281 HydrophobicContact CD1-CD2 4.25Å; L277-L281 HydrophobicContact CD1-CG 3.94Å; L277-L281 HydrophobicContact CG-CD1 4.08Å; L277-L281 HydrophobicContact CG-CG 4.33Å; L277-L281 WeakPolarHBondContact O-CG 3.49Å; L277-L281 PolarHBondContact O-N 2.87Å; Q278-L281 PolarHBondContact O-N 3.37Å; L281-Q284 PolarHBondContact O-N 3.2Å; L281-L285 WeakPolarHBondContact O-CB 3.39Å; L281-L285 PolarHBondContact O-N 2.98Å
282N78.6Confident82.3Confident35 Ų3532.2 Ų32.219%0.18716%0.16CC..Hα-helixtrans-63.7-44.6178-178.4-92.3000112.1L130 N131 L132 Q278 V280 T286L130-N282 HydrophobicContact CD1-CB 3.77Å; N131-N282 PolarHBondContact O-ND2 3.13Å; N131-N282 VanDerWaalsContact O-ND2 3.11Å; L132-N282 HydrophobicContact CD2-CB 3.93Å; Q278-N282 WeakPolarHBondContact O-CB 3.27Å; Q278-N282 PolarHBondContact O-N 3.2Å; V280-N282 PolarHBondContact O-N 2.84Å; N282-T286 VanDerWaalsContact O-CB 3.27Å; N282-T286 WeakPolarHBondContact O-CB 3.36Å; N282-T286 PolarHBondContact O-N 2.99Å; N282-T286 PolarHBondContact O-OG1 2.91Å
283Q81Confident81.4Confident53 Ų5332.5 Ų32.525%0.24816%0.161CC..Hα-helixtrans-65-42.5176.6-175.565.273.400112.6Q279 V280 N287Q279-Q283 WeakPolarHBondContact O-CB 3.11Å; Q279-Q283 PolarHBondContact O-N 2.81Å; V280-Q283 PolarHBondContact O-N 2.88Å; Q283-N287 PolarHBondContact NE2-OD1 3.11Å; Q283-N287 WeakPolarHBondContact O-CB 3.34Å; Q283-N287 VanDerWaalsContact O-CG 3.25Å; Q283-N287 PolarHBondContact O-N 3.12Å; Q283-N287 PolarHBondContact O-ND2 3.47Å
284Q82.6Confident80.8Confident34 Ų3436.2 Ų36.216%0.15919%0.185CC..Hα-helixtrans-70.7-40.6-178.7-66.5-67.3-7.800111.4L170 I201 V280 L281 H288L170-Q284 HydrophobicContact CD1-CB 4.4Å; I201-Q284 HydrophobicContact CD1-CB 4.11Å; I201-Q284 HydrophobicContact CD1-CG 4.21Å; V280-Q284 HydrophobicContact CG1-CG 3.78Å; V280-Q284 VanDerWaalsContact O-CB 3.26Å; V280-Q284 WeakPolarHBondContact O-CB 3.41Å; V280-Q284 WeakPolarHBondContact O-CG 3.47Å; V280-Q284 PolarHBondContact O-N 3.07Å; L281-Q284 PolarHBondContact O-N 3.2Å; Q284-H288 WeakPolarHBondContact O-CB 3.47Å; Q284-H288 PolarHBondContact O-N 3.05Å
285L77.7Confident80.4Confident1 Ų139.5 Ų39.51%0.00521%0.212CC..Hα-helixtrans-62.1-46.3172.9179.558.6000110.9I10 P32 I34 L132 L170 L281 N287 H288 I289I10-L285 HydrophobicContact CD1-CD2 4.01Å; I10-L285 HydrophobicContact CD1-CG 4.47Å; I10-L285 HydrophobicContact CG1-CD2 4.47Å; P32-L285 HydrophobicContact CB-CD1 4.3Å; I34-L285 HydrophobicContact CD1-CB 4.24Å; I34-L285 HydrophobicContact CD1-CD2 4.14Å; I34-L285 HydrophobicContact CG1-CD1 4.4Å; L132-L285 HydrophobicContact CD2-CD2 3.98Å; L170-L285 HydrophobicContact CD1-CB 4.33Å; L170-L285 HydrophobicContact CD1-CD1 4.48Å; L281-L285 WeakPolarHBondContact O-CB 3.39Å; L281-L285 PolarHBondContact O-N 2.98Å; L285-N287 PolarHBondContact O-N 3.09Å; L285-H288 PolarHBondContact O-N 2.83Å; L285-I289 HydrophobicContact CD1-CD1 4.02Å; L285-I289 HydrophobicContact CD1-CG1 4.13Å; L285-I289 HydrophobicContact CG-CD1 3.83Å; L285-I289 HydrophobicContact CG-CG1 4.4Å; L285-I289 WeakPolarHBondContact O-CB 3.37Å; L285-I289 VanDerWaalsContact O-CG1 3.23Å; L285-I289 WeakPolarHBondContact O-CG1 3.41Å; L285-I289 PolarHBondContact O-N 2.93Å
286T74.4Confident79.9Confident1 Ų137.4 Ų37.41%0.00620%0.197CC..Hα-helixtrans-61.2-44.9179.4-600000112.6M6 L9 N282 R290M6-T286 HydrophobicContact CB-CG2 3.73Å; M6-T286 HydrophobicContact CG-CG2 3.55Å; M6-T286 HydrophobicContact SD-CG2 3.72Å; L9-T286 HydrophobicContact CD1-CG2 3.75Å; N282-T286 VanDerWaalsContact O-CB 3.27Å; N282-T286 WeakPolarHBondContact O-CB 3.36Å; N282-T286 PolarHBondContact O-N 2.99Å; N282-T286 PolarHBondContact O-OG1 2.91Å; T286-R290 PolarHBondContact O-N 2.86Å
287N78.9Confident79.6Confident21 Ų2136.3 Ų36.311%0.11219%0.193CC..Hα-helixtrans-64.6-46.2176-69.6-9.9000110.7Q283 L285 I289 R290 D291 T744Q283-N287 PolarHBondContact NE2-OD1 3.11Å; Q283-N287 WeakPolarHBondContact O-CB 3.34Å; Q283-N287 VanDerWaalsContact O-CG 3.25Å; Q283-N287 PolarHBondContact O-N 3.12Å; Q283-N287 PolarHBondContact O-ND2 3.47Å; L285-N287 PolarHBondContact O-N 3.09Å; N287-I289 VanDerWaalsContact C-N 3.34Å; N287-I289 PolarHBondContact O-N 3.41Å; N287-R290 WeakPolarHBondContact O-CB 3.15Å; N287-R290 PolarHBondContact O-N 3.39Å; N287-R290 VanDerWaalsContact O-N 3.09Å; N287-D291 VanDerWaalsContact O-CG 3.3Å; N287-D291 PolarHBondContact O-N 2.78Å; N287-T744 PolarHBondContact ND2-OG1 2.92Å
288H76.9Confident79.3Confident15 Ų1539.7 Ų39.77%0.06922%0.216CC..Hα-helixtrans-64.3-35.5179.9-168.470.6000112.9S168 L170 Q284 L285 T292S168-H288 VanDerWaalsContact C-NE2 3.27Å; S168-H288 WeakPolarHBondContact CA-NE2 3.31Å; S168-H288 PolarHBondContact O-CD2 2.82Å; S168-H288 VanDerWaalsContact O-CD2 3.29Å; S168-H288 PolarHBondContact O-NE2 2.64Å; L170-H288 HydrophobicContact CD1-CB 4.15Å; L170-H288 HydrophobicContact CD2-CB 4.14Å; L170-H288 HydrophobicContact CG-CB 4.32Å; Q284-H288 WeakPolarHBondContact O-CB 3.47Å; Q284-H288 PolarHBondContact O-N 3.05Å; L285-H288 PolarHBondContact O-N 2.83Å; H288-T292 WeakPolarHBondContact O-CB 3.31Å; H288-T292 WeakPolarHBondContact O-CG2 3.35Å; H288-T292 PolarHBondContact O-N 2.96Å; H288-T292 VanDerWaalsContact O-N 3.13Å; H288-T292 PolarHBondContact O-OG1 3.38Å
289I74.9Confident79.3Confident2 Ų242.2 Ų42.21%0.0123%0.226CC..Hα-helixtrans-58.5-50.9169.8-71161.4000110L9 I10 V13 P32 L285 N287 D291 T292 L293L9-I289 HydrophobicContact CD2-CG2 4.36Å; I10-I289 HydrophobicContact CG1-CD1 3.96Å; V13-I289 HydrophobicContact CG2-CD1 3.89Å; V13-I289 HydrophobicContact CG2-CG1 4.12Å; V13-I289 HydrophobicContact CG2-CG2 4.07Å; P32-I289 HydrophobicContact CB-CB 4.43Å; P32-I289 HydrophobicContact CB-CG1 3.56Å; P32-I289 HydrophobicContact CG-CB 4.28Å; P32-I289 HydrophobicContact CG-CG1 3.79Å; L285-I289 HydrophobicContact CD1-CD1 4.02Å; L285-I289 HydrophobicContact CD1-CG1 4.13Å; L285-I289 HydrophobicContact CG-CD1 3.83Å; L285-I289 HydrophobicContact CG-CG1 4.4Å; L285-I289 WeakPolarHBondContact O-CB 3.37Å; L285-I289 VanDerWaalsContact O-CG1 3.23Å; L285-I289 WeakPolarHBondContact O-CG1 3.41Å; L285-I289 PolarHBondContact O-N 2.93Å; N287-I289 VanDerWaalsContact C-N 3.34Å; N287-I289 PolarHBondContact O-N 3.41Å; I289-D291 VanDerWaalsContact C-N 3.34Å; I289-D291 PolarHBondContact O-N 3.47Å; I289-T292 PolarHBondContact O-N 3.43Å; I289-T292 PolarHBondContact O-OG1 2.68Å; I289-L293 WeakPolarHBondContact O-CB 3.47Å; I289-L293 PolarHBondContact O-N 2.91Å
290R74Confident79.4Confident40 Ų4037.2 Ų37.215%0.15120%0.203CC..Hα-helixtrans-62.1-40.5-178.1-169.3-176.7-55.9163.57.6113M6 T286 N287 P294 T741 I742M6-R290 PolarHBondContact SD-NH2 3.49Å; T286-R290 PolarHBondContact O-N 2.86Å; N287-R290 WeakPolarHBondContact O-CB 3.15Å; N287-R290 PolarHBondContact O-N 3.39Å; N287-R290 VanDerWaalsContact O-N 3.09Å; R290-P294 VanDerWaalsContact O-CD 3.25Å; R290-P294 WeakPolarHBondContact O-CD 3.31Å; R290-T741 PolarHBondContact NE-OG1 2.94Å; R290-I742 PolarHBondContact NH1-O 3.03Å; R290-I742 PolarHBondContact NH2-O 3.09Å
291D76.8Confident79.3Confident103 Ų10340.5 Ų40.555%0.55122%0.217SC*.Hα-helixtrans-71.4-32.3-177.4-64.2-22.6000112.1N287 I289N287-D291 VanDerWaalsContact O-CG 3.3Å; N287-D291 PolarHBondContact O-N 2.78Å; I289-D291 VanDerWaalsContact C-N 3.34Å; I289-D291 PolarHBondContact O-N 3.47Å
292T75.9Confident79.4Confident30 Ų3043.4 Ų43.418%0.18424%0.241CC..Hα-helixtrans-90.1-26.8-178.6540000114.1P32 H288 I289 P294 A295 F296P32-T292 VanDerWaalsContact CG-OG1 3.24Å; P32-T292 WeakPolarHBondContact CG-OG1 3.41Å; H288-T292 WeakPolarHBondContact O-CB 3.31Å; H288-T292 WeakPolarHBondContact O-CG2 3.35Å; H288-T292 PolarHBondContact O-N 2.96Å; H288-T292 VanDerWaalsContact O-N 3.13Å; H288-T292 PolarHBondContact O-OG1 3.38Å; I289-T292 PolarHBondContact O-N 3.43Å; I289-T292 PolarHBondContact O-OG1 2.68Å; T292-P294 VanDerWaalsContact C-CD 3.47Å; T292-A295 PolarHBondContact O-N 2.84Å; T292-F296 PolarHBondContact O-N 3.41Å
293L76.1Confident79.7Confident19 Ų1945.7 Ų45.710%0.09925%0.251CS..Hα-helixtrans-55.4-38.5-176.6-173.970.4000115I289 F296 R297 I734 I737I289-L293 WeakPolarHBondContact O-CB 3.47Å; I289-L293 PolarHBondContact O-N 2.91Å; L293-F296 HydrophobicContact CD1-CD1 4.48Å; L293-F296 PolarHBondContact O-N 3.02Å; L293-R297 WeakPolarHBondContact O-CB 3.36Å; L293-R297 PolarHBondContact O-N 2.88Å; L293-I734 HydrophobicContact CD1-CD1 4.43Å; L293-I734 HydrophobicContact CD1-CG1 4.11Å; L293-I734 HydrophobicContact CD1-CG2 4.06Å; L293-I734 HydrophobicContact CG-CG2 4.22Å; L293-I737 HydrophobicContact CD1-CD1 4.38Å; L293-I737 HydrophobicContact CD2-CB 4.32Å; L293-I737 HydrophobicContact CD2-CD1 3.62Å; L293-I737 HydrophobicContact CD2-CG2 3.97Å
294P80.2Confident79.9Confident81 Ų8144.1 Ų44.153%0.52624%0.244SC..Hα-helixtrans-64.5-41.8177.3-2334.6000113R290 T292 R297 S298R290-P294 VanDerWaalsContact O-CD 3.25Å; R290-P294 WeakPolarHBondContact O-CD 3.31Å; T292-P294 VanDerWaalsContact C-CD 3.47Å; P294-R297 PolarHBondContact O-N 3.03Å; P294-S298 PolarHBondContact O-N 2.95Å; P294-S298 VanDerWaalsContact O-N 3.1Å; P294-S298 PolarHBondContact O-OG 3.15Å
295A79.4Confident80.2Confident70 Ų7048.6 Ų48.658%0.57927%0.268SS*.Hα-helixtrans-67.3-41.517700000111T292 S298 K299T292-A295 PolarHBondContact O-N 2.84Å; A295-S298 PolarHBondContact O-N 3.31Å; A295-K299 PolarHBondContact O-N 3.46Å
296F77.1Confident80.6Confident18 Ų1852.2 Ų52.28%0.07930%0.298CS..Hα-helixtrans-61.1-44.2174.5-176.1-111.1000112.2L16 L29 L31 T292 L293 S298 K299 L300 I734L16-F296 HydrophobicContact CD1-CE1 4.48Å; L29-F296 HydrophobicContact CB-CE2 4.11Å; L29-F296 HydrophobicContact CB-CZ 4.23Å; L29-F296 HydrophobicContact CD2-CE2 3.85Å; L29-F296 HydrophobicContact CD2-CZ 3.63Å; L31-F296 HydrophobicContact CD2-CD1 4.33Å; L31-F296 HydrophobicContact CD2-CE1 3.6Å; L31-F296 HydrophobicContact CD2-CE2 4.2Å; L31-F296 HydrophobicContact CD2-CZ 3.52Å; L31-F296 HydrophobicContact CG-CE2 4.45Å; L31-F296 HydrophobicContact CG-CZ 4.02Å; T292-F296 PolarHBondContact O-N 3.41Å; L293-F296 HydrophobicContact CD1-CD1 4.48Å; L293-F296 PolarHBondContact O-N 3.02Å; F296-S298 PolarHBondContact O-N 3.41Å; F296-K299 WeakPolarHBondContact O-CB 3.45Å; F296-K299 PolarHBondContact O-N 3.37Å; F296-L300 HydrophobicContact CD1-CD1 4.13Å; F296-L300 HydrophobicContact CE1-CD1 3.61Å; F296-L300 HydrophobicContact CE1-CG 4.27Å; F296-L300 HydrophobicContact CZ-CD1 3.9Å; F296-L300 HydrophobicContact CZ-CD2 4.33Å; F296-L300 HydrophobicContact CZ-CG 4.26Å; F296-L300 WeakPolarHBondContact O-CG 3.41Å; F296-L300 PolarHBondContact O-N 3.48Å; F296-I734 HydrophobicContact CD1-CD1 3.87Å; F296-I734 HydrophobicContact CE1-CD1 3.9Å
297R81.8Confident81.1Confident80 Ų8054 Ų5430%0.30231%0.308SS..Hα-helixtrans-56.1-48.6173.5-175.2-176.3171.7134.51.3111.6L293 P294 K299 L300 Q301 L731 I734L293-R297 WeakPolarHBondContact O-CB 3.36Å; L293-R297 PolarHBondContact O-N 2.88Å; P294-R297 PolarHBondContact O-N 3.03Å; R297-K299 VanDerWaalsContact C-N 3.33Å; R297-K299 PolarHBondContact O-N 3.2Å; R297-L300 PolarHBondContact O-N 3.43Å; R297-Q301 HydrophobicContact CG-CG 4.48Å; R297-Q301 WeakPolarHBondContact O-CG 3.38Å; R297-Q301 PolarHBondContact O-N 2.76Å; R297-L731 HydrophobicContact CG-CD2 3.97Å; R297-I734 HydrophobicContact CB-CG2 3.98Å; R297-I734 HydrophobicContact CG-CG2 3.93Å
298S83.3Confident81.5Confident70 Ų7055.2 Ų55.249%0.4931%0.314SS..Hα-helixtrans-61.9-38.7178.5-63.20000112.4P294 A295 F296 Q301 A302P294-S298 PolarHBondContact O-N 2.95Å; P294-S298 VanDerWaalsContact O-N 3.1Å; P294-S298 PolarHBondContact O-OG 3.15Å; A295-S298 PolarHBondContact O-N 3.31Å; F296-S298 PolarHBondContact O-N 3.41Å; S298-Q301 PolarHBondContact O-N 3.4Å; S298-A302 WeakPolarHBondContact O-CB 3.48Å; S298-A302 PolarHBondContact O-N 3.13Å
299K82.9Confident81.7Confident88 Ų8861.7 Ų61.738%0.38334%0.342SS..Hα-helixtrans-61.2-46.8174.2-177.2174.1174.3173.30111.5D30 A295 F296 R297 A302 Q303D30-K299 IonicContact OD2-NZ 2.75Å; D30-K299 PolarHBondContact OD2-NZ 3.47Å; A295-K299 PolarHBondContact O-N 3.46Å; F296-K299 WeakPolarHBondContact O-CB 3.45Å; F296-K299 PolarHBondContact O-N 3.37Å; R297-K299 VanDerWaalsContact C-N 3.33Å; R297-K299 PolarHBondContact O-N 3.2Å; K299-A302 PolarHBondContact O-N 2.88Å; K299-Q303 WeakPolarHBondContact O-CG 3.37Å; K299-Q303 PolarHBondContact O-N 2.99Å
300L82.9Confident82Confident1 Ų163.7 Ų63.71%0.00535%0.351CS..Hα-helixtrans-66.3-37.8176.3-64.7-175.4000112.7F20 L29 F296 R297 Q303 L304 L727 A730 L731 I734F20-L300 HydrophobicContact CE2-CD1 4.37Å; F20-L300 HydrophobicContact CZ-CD1 4.08Å; F20-L300 HydrophobicContact CZ-CD2 3.9Å; L29-L300 HydrophobicContact CD2-CD2 3.89Å; F296-L300 HydrophobicContact CD1-CD1 4.13Å; F296-L300 HydrophobicContact CE1-CD1 3.61Å; F296-L300 HydrophobicContact CE1-CG 4.27Å; F296-L300 HydrophobicContact CZ-CD1 3.9Å; F296-L300 HydrophobicContact CZ-CD2 4.33Å; F296-L300 HydrophobicContact CZ-CG 4.26Å; F296-L300 WeakPolarHBondContact O-CG 3.41Å; F296-L300 PolarHBondContact O-N 3.48Å; R297-L300 PolarHBondContact O-N 3.43Å; L300-Q303 PolarHBondContact O-N 3.41Å; L300-L304 WeakPolarHBondContact O-CB 3.42Å; L300-L304 PolarHBondContact O-N 2.96Å; L300-L727 HydrophobicContact CB-CD2 4.46Å; L300-L727 HydrophobicContact CD2-CD2 3.73Å; L300-A730 HydrophobicContact CD1-CB 4.12Å; L300-L731 HydrophobicContact CB-CD1 4.46Å; L300-L731 HydrophobicContact CB-CD2 3.84Å; L300-L731 HydrophobicContact CB-CG 4.1Å; L300-I734 HydrophobicContact CD1-CD1 3.63Å
301Q85.8Confident82.4Confident88 Ų8861.8 Ų61.841%0.41134%0.344SS..Hα-helixtrans-64.1-40.6174.9-73.5-178.1-6000112.1R297 S298 L304 L305 L731R297-Q301 HydrophobicContact CG-CG 4.48Å; R297-Q301 WeakPolarHBondContact O-CG 3.38Å; R297-Q301 PolarHBondContact O-N 2.76Å; S298-Q301 PolarHBondContact O-N 3.4Å; Q301-L304 PolarHBondContact O-N 3.41Å; Q301-L305 WeakPolarHBondContact O-CB 3.4Å; Q301-L305 PolarHBondContact O-N 2.99Å; Q301-L731 HydrophobicContact CG-CD1 3.94Å; Q301-L731 HydrophobicContact CG-CD2 3.63Å; Q301-L731 HydrophobicContact CG-CG 4.47Å
302A85.9Confident82.6Confident61 Ų6161.6 Ų61.650%0.50434%0.34SS..Hα-helixtrans-65.8-41.717600000112.2S298 K299 L305 A306S298-A302 WeakPolarHBondContact O-CB 3.48Å; S298-A302 PolarHBondContact O-N 3.13Å; K299-A302 PolarHBondContact O-N 2.88Å; A302-L305 PolarHBondContact O-N 2.84Å; A302-A306 PolarHBondContact O-N 2.69Å; A302-A306 VanDerWaalsContact O-N 3.1Å
303Q84.3Confident82.5Confident84 Ų8465.7 Ų65.739%0.39336%0.357SS..Hα-helixtrans-64.3-41.9174.4-73.6179.5-30.400112.1K299 L300 A306 L307 L727K299-Q303 WeakPolarHBondContact O-CG 3.37Å; K299-Q303 PolarHBondContact O-N 2.99Å; L300-Q303 PolarHBondContact O-N 3.41Å; Q303-A306 PolarHBondContact O-N 3.19Å; Q303-L307 PolarHBondContact O-N 2.74Å; Q303-L727 HydrophobicContact CB-CD1 4.18Å; Q303-L727 HydrophobicContact CB-CD2 4.5Å
304L86.4Confident82.5Confident20 Ų2066.3 Ų66.311%0.10536%0.358CS..Hα-helixtrans-62.2-45.5176.1-178.965.5000111.5L300 Q301 A306 L307 D308 H724 L727 K728 L731L300-L304 WeakPolarHBondContact O-CB 3.42Å; L300-L304 PolarHBondContact O-N 2.96Å; Q301-L304 PolarHBondContact O-N 3.41Å; L304-A306 VanDerWaalsContact C-N 3.31Å; L304-A306 PolarHBondContact O-N 2.86Å; L304-L307 CarbonylContact O-C 3.54Å; L304-L307 PolarHBondContact O-N 3.12Å; L304-L307 VanDerWaalsContact O-N 3.17Å; L304-D308 PolarHBondContact O-N 3.4Å; L304-H724 WeakPolarHBondContact CD1-CD2 2.92Å; L304-L727 HydrophobicContact CB-CB 4.39Å; L304-L727 HydrophobicContact CB-CD1 4.49Å; L304-L727 HydrophobicContact CD1-CB 3.98Å; L304-K728 HydrophobicContact CD1-CD 4.44Å; L304-K728 HydrophobicContact CD1-CG 3.76Å; L304-K728 HydrophobicContact CD2-CG 3.8Å; L304-K728 HydrophobicContact CG-CG 4.47Å; L304-L731 HydrophobicContact CB-CD1 4.17Å; L304-L731 HydrophobicContact CD2-CD1 3.66Å
305L88.4Confident82Confident127 Ų12767.5 Ų67.567%0.66535%0.352SS*.Hα-helixtrans-63.5-35.7-180-174.768.4000112.5Q301 A302Q301-L305 WeakPolarHBondContact O-CB 3.4Å; Q301-L305 PolarHBondContact O-N 2.99Å; A302-L305 PolarHBondContact O-N 2.84Å
306A86.3Confident81.1Confident78 Ų7865.6 Ų65.665%0.64534%0.339SS*.Hα-helixtrans-65.5-38.7174.900000112.1A302 Q303 L304A302-A306 PolarHBondContact O-N 2.69Å; A302-A306 VanDerWaalsContact O-N 3.1Å; Q303-A306 PolarHBondContact O-N 3.19Å; L304-A306 VanDerWaalsContact C-N 3.31Å; L304-A306 PolarHBondContact O-N 2.86Å
307L85.8Confident80.5Confident39 Ų3966.7 Ų66.720%0.20434%0.343CS..Hα-helixtrans-84.1-21.3178.2-67.2176.6000113.9Q303 L304 K309 E310 A311 V720 T723 L727Q303-L307 PolarHBondContact O-N 2.74Å; L304-L307 CarbonylContact O-C 3.54Å; L304-L307 PolarHBondContact O-N 3.12Å; L304-L307 VanDerWaalsContact O-N 3.17Å; L307-K309 VanDerWaalsContact C-N 3.26Å; L307-K309 PolarHBondContact O-N 2.92Å; L307-E310 PolarHBondContact O-N 3.37Å; L307-A311 WeakPolarHBondContact O-CB 3.48Å; L307-A311 PolarHBondContact O-N 3.43Å; L307-V720 HydrophobicContact CD2-CG1 4.39Å; L307-T723 HydrophobicContact CD1-CG2 3.68Å; L307-L727 HydrophobicContact CD1-CD1 3.86Å
308D85.6Confident79.6Confident46 Ų4671.8 Ų71.825%0.24636%0.363CS..Hα-helixtrans-53.8-41.6-176-99.5-31.6000112L304 E312 H724 K728L304-D308 PolarHBondContact O-N 3.4Å; D308-E312 WeakPolarHBondContact O-CB 3.14Å; D308-E312 VanDerWaalsContact O-CG 3.32Å; D308-E312 WeakPolarHBondContact O-CG 2.91Å; D308-E312 PolarHBondContact O-N 3.1Å; D308-H724 IonicContact OD1-CD2 2.73Å; D308-H724 IonicContact OD1-CE1 3.17Å; D308-H724 PolarHBondContact OD1-CE1 2.79Å; D308-H724 IonicContact OD1-NE2 2.7Å; D308-H724 PolarHBondContact OD1-NE2 3.18Å; D308-K728 IonicContact OD1-NZ 2.71Å; D308-K728 PolarHBondContact OD1-NZ 2.96Å
309K81.8Confident78.6Confident150 Ų15071.2 Ų71.265%0.65236%0.357SS*.Hα-helixtrans-66.4-52.3179.6-171.9-172.4170-1640112.2L307 A311 E312 E313L307-K309 VanDerWaalsContact C-N 3.26Å; L307-K309 PolarHBondContact O-N 2.92Å; K309-A311 VanDerWaalsContact C-N 3.31Å; K309-A311 PolarHBondContact O-N 3.28Å; K309-E312 PolarHBondContact O-N 2.89Å; K309-E313 WeakPolarHBondContact CE-OE1 3.45Å; K309-E313 IonicContact NZ-OE1 3.53Å; K309-E313 WeakPolarHBondContact O-CG 3.25Å; K309-E313 PolarHBondContact O-N 3.4Å; K309-E313 VanDerWaalsContact O-N 3.1Å
310E81.6Confident77.8Confident44 Ų4473.8 Ų73.821%0.20638%0.375CS..Hα-helixtrans-64.1-38.8-179.5-172.1174.5175.200110.5L307 E313 Y314 R716 V720L307-E310 PolarHBondContact O-N 3.37Å; E310-E313 PolarHBondContact O-N 3.42Å; E310-Y314 HydrophobicContact CG-CD2 4.05Å; E310-Y314 HydrophobicContact CG-CE2 3.37Å; E310-Y314 WeakPolarHBondContact O-CD2 3.37Å; E310-Y314 PolarHBondContact O-N 3.23Å; E310-Y314 WeakPolarHBondContact OE1-CE2 3.41Å; E310-Y314 PolarHBondContact OE1-OH 2.62Å; E310-R716 IonicContact OE1-CZ 2.66Å; E310-R716 IonicContact OE1-NE 2.69Å; E310-R716 PolarHBondContact OE1-NE 3.18Å; E310-R716 IonicContact OE1-NH2 2.66Å; E310-R716 PolarHBondContact OE1-NH2 2.97Å; E310-R716 IonicContact OE2-NH2 4Å; E310-R716 PolarHBondContact OE2-NH2 3.43Å; E310-V720 HydrophobicContact CB-CG1 4.44Å; E310-V720 HydrophobicContact CG-CG1 4.2Å
311A82.3Confident77.6Confident0 Ų076 Ų760%039%0.387CS..Hα-helixtrans-69.5-37.8177.500000113.8L307 K309 Y314 R315 V720 L721 H724L307-A311 WeakPolarHBondContact O-CB 3.48Å; L307-A311 PolarHBondContact O-N 3.43Å; K309-A311 VanDerWaalsContact C-N 3.31Å; K309-A311 PolarHBondContact O-N 3.28Å; A311-Y314 PolarHBondContact O-N 2.93Å; A311-R315 WeakPolarHBondContact O-CB 3.22Å; A311-R315 WeakPolarHBondContact O-CD 3.3Å; A311-R315 WeakPolarHBondContact O-CG 3.5Å; A311-R315 PolarHBondContact O-N 3.08Å; A311-V720 HydrophobicContact CB-CG1 4.24Å; A311-L721 HydrophobicContact CB-CD2 4.48Å; A311-H724 HydrophobicContact CB-CB 3.9Å; A311-H724 VanDerWaalsContact CB-CG 3.45Å
312E80Confident77.1Confident99 Ų9975.4 Ų75.446%0.46339%0.391SS..Hα-helixtrans-70.2-35.7174.3-72.5-60.5140.500112.1D308 K309 Y314 R315 G316D308-E312 WeakPolarHBondContact O-CB 3.14Å; D308-E312 VanDerWaalsContact O-CG 3.32Å; D308-E312 WeakPolarHBondContact O-CG 2.91Å; D308-E312 PolarHBondContact O-N 3.1Å; K309-E312 PolarHBondContact O-N 2.89Å; E312-Y314 VanDerWaalsContact C-N 3.34Å; E312-Y314 PolarHBondContact O-N 2.81Å; E312-R315 PolarHBondContact O-N 2.76Å; E312-R315 WeakPolarHBondContact OE1-CD 3.29Å; E312-R315 IonicContact OE1-CZ 3.33Å; E312-R315 IonicContact OE1-NE 2.71Å; E312-R315 IonicContact OE1-NH1 2.87Å; E312-R315 PolarHBondContact OE1-NH1 2.69Å; E312-G316 PolarHBondContact O-N 2.87Å
313E75.3Confident76.8Confident117 Ų11776.4 Ų76.455%0.54739%0.394SS..Hα-helixtrans-60.2-43.4170.8-73.4175-168.100111.2K309 E310K309-E313 WeakPolarHBondContact CE-OE1 3.45Å; K309-E313 IonicContact NZ-OE1 3.53Å; K309-E313 WeakPolarHBondContact O-CG 3.25Å; K309-E313 PolarHBondContact O-N 3.4Å; K309-E313 VanDerWaalsContact O-N 3.1Å; E310-E313 PolarHBondContact O-N 3.42Å
314Y75.8Confident76.4Confident31 Ų3177.9 Ų77.912%0.12240%0.396CS..Hα-helixtrans-73.2-32.4174.5-65.5-28.7000114.7E310 A311 E312 G316 Y317 Q713 R717 V720E310-Y314 HydrophobicContact CG-CD2 4.05Å; E310-Y314 HydrophobicContact CG-CE2 3.37Å; E310-Y314 WeakPolarHBondContact O-CD2 3.37Å; E310-Y314 PolarHBondContact O-N 3.23Å; E310-Y314 WeakPolarHBondContact OE1-CE2 3.41Å; E310-Y314 PolarHBondContact OE1-OH 2.62Å; A311-Y314 PolarHBondContact O-N 2.93Å; E312-Y314 VanDerWaalsContact C-N 3.34Å; E312-Y314 PolarHBondContact O-N 2.81Å; Y314-G316 VanDerWaalsContact C-N 3.27Å; Y314-G316 PolarHBondContact O-N 3.49Å; Y314-Y317 WeakPolarHBondContact O-CB 2.97Å; Y314-Y317 PolarHBondContact O-N 3.45Å; Y314-Q713 PolarHBondContact OH-NE2 3.34Å; Y314-Q713 VanDerWaalsContact OH-NE2 3.17Å; Y314-R717 HydrophobicContact CD1-CB 4.39Å; Y314-R717 HydrophobicContact CD1-CG 4.15Å; Y314-R717 HydrophobicContact CD2-CB 4.09Å; Y314-R717 HydrophobicContact CD2-CG 3.87Å; Y314-R717 HydrophobicContact CE1-CB 4.49Å; Y314-R717 HydrophobicContact CE2-CB 4.18Å; Y314-R717 HydrophobicContact CE2-CG 4.46Å; Y314-R717 HydrophobicContact CG-CB 4.23Å; Y314-R717 HydrophobicContact CG-CG 3.72Å; Y314-V720 HydrophobicContact CD2-CB 4.14Å; Y314-V720 HydrophobicContact CD2-CG1 3.91Å; Y314-V720 HydrophobicContact CE2-CB 3.99Å; Y314-V720 HydrophobicContact CE2-CG1 3.99Å; Y314-V720 HydrophobicContact CE2-CG2 4.24Å
315R68.8Low76.1Confident106 Ų10678 Ų7840%0.440%0.395SS..Hα-helixtrans-65.4-31.7176.4-79.2160.7174.4-141.8-14.5112.5A311 E312 Y317 L721 H724A311-R315 WeakPolarHBondContact O-CB 3.22Å; A311-R315 WeakPolarHBondContact O-CD 3.3Å; A311-R315 WeakPolarHBondContact O-CG 3.5Å; A311-R315 PolarHBondContact O-N 3.08Å; E312-R315 PolarHBondContact O-N 2.76Å; E312-R315 WeakPolarHBondContact OE1-CD 3.29Å; E312-R315 IonicContact OE1-CZ 3.33Å; E312-R315 IonicContact OE1-NE 2.71Å; E312-R315 IonicContact OE1-NH1 2.87Å; E312-R315 PolarHBondContact OE1-NH1 2.69Å; R315-Y317 PolarHBondContact O-N 3.37Å; R315-L721 HydrophobicContact CG-CD2 3.88Å; R315-H724 VanDerWaalsContact CZ-CE1 3.43Å; R315-H724 PolarHBondContact NH2-CE1 2.77Å; R315-H724 PolarHBondContact NH2-ND1 3.33Å; R315-H724 VanDerWaalsContact NH2-ND1 3.15Å
316G62.4Low75.9Confident30 Ų3074.3 Ų74.331%0.30938%0.378SS..THydrogen-bonded Turntrans-74.1-11.3170.500000113.9E312 Y314 R318 R324E312-G316 PolarHBondContact O-N 2.87Å; Y314-G316 VanDerWaalsContact C-N 3.27Å; Y314-G316 PolarHBondContact O-N 3.49Å; G316-R318 PolarHBondContact O-N 3.5Å; G316-R324 PolarHBondContact O-NE 3.02Å; G316-R324 PolarHBondContact O-NH1 3.07Å; G316-R324 PolarHBondContact O-NH2 2.91Å
317Y63.3Low75.8Confident41 Ų4176.6 Ų76.616%0.16137%0.374CS..  trans-78.9119.6-175.5-166.8-83.4000111.2Y314 R315 P319 E709Y314-Y317 WeakPolarHBondContact O-CB 2.97Å; Y314-Y317 PolarHBondContact O-N 3.45Å; R315-Y317 PolarHBondContact O-N 3.37Å; Y317-P319 HydrophobicContact CD1-CG 4.09Å; Y317-P319 HydrophobicContact CE1-CB 3.98Å; Y317-P319 HydrophobicContact CE1-CG 3.77Å; Y317-E709 VanDerWaalsContact OH-CD 3.23Å; Y317-E709 PolarHBondContact OH-OE1 3.46Å; Y317-E709 VanDerWaalsContact OH-OE1 3.11Å
318R64.1Low75.7Confident188 Ų18877.3 Ų77.371%0.70938%0.376SS*.  trans-115.5115.7166.1-71.4-176176.2-176.3-2.2107.4G316 D320 D321G316-R318 PolarHBondContact O-N 3.5Å; R318-D320 PolarHBondContact O-N 3.49Å; R318-D320 VanDerWaalsContact O-N 3.12Å; R318-D321 HydrophobicContact CB-CB 4.11Å; R318-D321 PolarHBondContact O-N 3.1Å
319P61.6Low75.8Confident57 Ų5775.1 Ų75.137%0.3737%0.365SS..THydrogen-bonded Turntrans-57.1-27.3-179-21.629.5000113.7Y317 K325Y317-P319 HydrophobicContact CD1-CG 4.09Å; Y317-P319 HydrophobicContact CE1-CB 3.98Å; Y317-P319 HydrophobicContact CE1-CG 3.77Å; P319-K325 WeakPolarHBondContact O-CE 3.44Å; P319-K325 PolarHBondContact O-NZ 3.02Å
320D66.4Low76.2Confident143 Ų14370.9 Ų70.977%0.76535%0.349SS*.THydrogen-bonded Turntrans-100.28.2-172.9-51.2-48.5000114.3R318 P322R318-D320 PolarHBondContact O-N 3.49Å; R318-D320 VanDerWaalsContact O-N 3.12Å; D320-P322 WeakPolarHBondContact O-CD 3.38Å
321D77.6Confident76.5Confident47 Ų4773.9 Ų73.925%0.25136%0.362SS..  trans-84.9106.7176.4-178.7-11.8000110.7R318 S323 R324 K325R318-D321 HydrophobicContact CB-CB 4.11Å; R318-D321 PolarHBondContact O-N 3.1Å; D321-S323 VanDerWaalsContact C-N 3.27Å; D321-S323 PolarHBondContact O-N 3.18Å; D321-S323 WeakPolarHBondContact OD1-CB 3.26Å; D321-S323 PolarHBondContact OD1-N 3.09Å; D321-S323 PolarHBondContact OD1-OG 3.43Å; D321-R324 HydrophobicContact CB-CB 4.25Å; D321-R324 PolarHBondContact O-N 3.09Å; D321-R324 PolarHBondContact OD1-N 2.86Å; D321-K325 PolarHBondContact O-N 2.83Å
322P75.4Confident76.9Confident76 Ų7676 Ų7649%0.49437%0.373SS..Hα-helixtrans-65.6-33.6-176.1-18.533.9000111.4D320 R324 K325 T326D320-P322 WeakPolarHBondContact O-CD 3.38Å; P322-R324 VanDerWaalsContact C-N 3.3Å; P322-R324 PolarHBondContact O-N 3.3Å; P322-K325 PolarHBondContact O-N 2.89Å; P322-T326 WeakPolarHBondContact O-CB 3.34Å; P322-T326 PolarHBondContact O-N 3.26Å; P322-T326 PolarHBondContact O-OG1 3Å
323S79.8Confident77.4Confident81 Ų8171.8 Ų71.857%0.56635%0.354SS*.Hα-helixtrans-65.3-34.9-177.376.40000112.2D321 K327D321-S323 VanDerWaalsContact C-N 3.27Å; D321-S323 PolarHBondContact O-N 3.18Å; D321-S323 WeakPolarHBondContact OD1-CB 3.26Å; D321-S323 PolarHBondContact OD1-N 3.09Å; D321-S323 PolarHBondContact OD1-OG 3.43Å; S323-K327 WeakPolarHBondContact O-CB 3.46Å; S323-K327 PolarHBondContact O-N 3.09Å; S323-K327 VanDerWaalsContact O-N 3.16Å
324R77Confident78.2Confident116 Ų11671.4 Ų71.444%0.43835%0.352SS..Hα-helixtrans-71.7-44.2171.8-83.3-174164.6-124.53.9111.8G316 D321 P322 T326 K327 Q328G316-R324 PolarHBondContact O-NE 3.02Å; G316-R324 PolarHBondContact O-NH1 3.07Å; G316-R324 PolarHBondContact O-NH2 2.91Å; D321-R324 HydrophobicContact CB-CB 4.25Å; D321-R324 PolarHBondContact O-N 3.09Å; D321-R324 PolarHBondContact OD1-N 2.86Å; P322-R324 VanDerWaalsContact C-N 3.3Å; P322-R324 PolarHBondContact O-N 3.3Å; R324-T326 PolarHBondContact O-N 3.09Å; R324-K327 PolarHBondContact O-N 3.15Å; R324-Q328 WeakPolarHBondContact O-CB 3.45Å; R324-Q328 PolarHBondContact O-N 3.35Å
325K79.3Confident79Confident21 Ų2174.1 Ų74.19%0.09137%0.366CS..Hα-helixtrans-57.3-48.8175.6-79.1-174.6163.3179.10111.7P319 D321 P322 K327 Q328 L329 N704 M707P319-K325 WeakPolarHBondContact O-CE 3.44Å; P319-K325 PolarHBondContact O-NZ 3.02Å; D321-K325 PolarHBondContact O-N 2.83Å; P322-K325 PolarHBondContact O-N 2.89Å; K325-K327 PolarHBondContact O-N 3.31Å; K325-Q328 PolarHBondContact O-N 2.63Å; K325-L329 WeakPolarHBondContact O-CB 3.4Å; K325-L329 PolarHBondContact O-N 2.93Å; K325-N704 PolarHBondContact NZ-O 2.8Å; K325-M707 HydrophobicContact CB-CB 4.32Å; K325-M707 HydrophobicContact CB-CG 4.32Å; K325-M707 HydrophobicContact CD-CB 3.96Å; K325-M707 HydrophobicContact CG-CB 4.01Å
326T83.5Confident80.2Confident50 Ų5069.2 Ų69.231%0.30735%0.348SS..Hα-helixtrans-57-45174.9-54.20000112.1P322 R324 L330 Y698P322-T326 WeakPolarHBondContact O-CB 3.34Å; P322-T326 PolarHBondContact O-N 3.26Å; P322-T326 PolarHBondContact O-OG1 3Å; R324-T326 PolarHBondContact O-N 3.09Å; T326-L330 WeakPolarHBondContact O-CB 3.48Å; T326-L330 PolarHBondContact O-N 3.45Å; T326-L330 VanDerWaalsContact O-N 3.1Å; T326-Y698 HydrophobicContact CG2-CE1 4.39Å; T326-Y698 WeakPolarHBondContact CG2-OH 3.4Å
327K85.1Confident81.7Confident126 Ų12668 Ų6855%0.54833%0.334SS..Hα-helixtrans-66.4-42.4177.8-177.5-179.1175.8-176.40112.4S323 R324 K325 L330 Q331S323-K327 WeakPolarHBondContact O-CB 3.46Å; S323-K327 PolarHBondContact O-N 3.09Å; S323-K327 VanDerWaalsContact O-N 3.16Å; R324-K327 PolarHBondContact O-N 3.15Å; K325-K327 PolarHBondContact O-N 3.31Å; K327-L330 PolarHBondContact O-N 3.26Å; K327-Q331 WeakPolarHBondContact O-CG 3.43Å; K327-Q331 PolarHBondContact O-N 2.89Å
328Q84.1Confident83.1Confident54 Ų5469 Ų6925%0.25235%0.345SS..Hα-helixtrans-69.7-40.6-179-170.6169.618.800111.2R324 K325 L330 Q331 M332 F449 M707R324-Q328 WeakPolarHBondContact O-CB 3.45Å; R324-Q328 PolarHBondContact O-N 3.35Å; K325-Q328 PolarHBondContact O-N 2.63Å; Q328-L330 PolarHBondContact O-N 3.39Å; Q328-Q331 PolarHBondContact O-N 3Å; Q328-M332 HydrophobicContact CG-CG 4.47Å; Q328-M332 WeakPolarHBondContact O-CB 3.22Å; Q328-M332 VanDerWaalsContact O-CG 3.29Å; Q328-M332 WeakPolarHBondContact O-CG 3.41Å; Q328-M332 PolarHBondContact O-N 3.43Å; Q328-F449 HydrophobicContact CG-CE2 4.18Å; Q328-F449 HydrophobicContact CG-CZ 4.35Å; Q328-M707 HydrophobicContact CB-CE 3.93Å; Q328-M707 HydrophobicContact CG-CE 3.88Å
329L87.4Confident84.4Confident1 Ų161 Ų611%0.00532%0.316CS..Hα-helixtrans-54.6-50.8170.4176.260.2000111.2K325 Q331 M332 V333 L452 Y698 L706 M707K325-L329 WeakPolarHBondContact O-CB 3.4Å; K325-L329 PolarHBondContact O-N 2.93Å; L329-Q331 PolarHBondContact O-N 3.17Å; L329-M332 PolarHBondContact O-N 3.38Å; L329-V333 HydrophobicContact CD1-CG2 3.97Å; L329-V333 WeakPolarHBondContact O-CG2 3.45Å; L329-V333 PolarHBondContact O-N 2.9Å; L329-L452 HydrophobicContact CD1-CD1 3.45Å; L329-L452 VanDerWaalsContact CD1-CD1 3.45Å; L329-L452 HydrophobicContact CD1-CD2 4Å; L329-L452 HydrophobicContact CD1-CG 4.36Å; L329-Y698 HydrophobicContact CD2-CD1 4.46Å; L329-Y698 HydrophobicContact CD2-CE1 3.94Å; L329-L706 HydrophobicContact CD1-CD2 3.99Å; L329-L706 HydrophobicContact CD2-CD2 4.42Å; L329-M707 HydrophobicContact CB-CE 4.4Å; L329-M707 HydrophobicContact CB-CG 4.4Å; L329-M707 HydrophobicContact CB-SD 3.83Å; L329-M707 HydrophobicContact CD1-SD 4Å; L329-M707 HydrophobicContact CG-SD 4.46Å
330L88.8Confident85.9Confident61 Ų6158.3 Ų58.332%0.31930%0.298SS..Hα-helixtrans-56.2-47.7176.9176.666.5000111.8T326 K327 Q328 V333 Q334 L694T326-L330 WeakPolarHBondContact O-CB 3.48Å; T326-L330 PolarHBondContact O-N 3.45Å; T326-L330 VanDerWaalsContact O-N 3.1Å; K327-L330 PolarHBondContact O-N 3.26Å; Q328-L330 PolarHBondContact O-N 3.39Å; L330-V333 PolarHBondContact O-N 2.96Å; L330-Q334 HydrophobicContact CD1-CG 4.24Å; L330-Q334 WeakPolarHBondContact O-CB 3.19Å; L330-Q334 VanDerWaalsContact O-CG 3.23Å; L330-Q334 WeakPolarHBondContact O-CG 3.39Å; L330-Q334 PolarHBondContact O-N 3.45Å; L330-L694 HydrophobicContact CD1-CD2 3.54Å
331Q89.2Confident87.1Confident106 Ų10654 Ų5450%0.49527%0.274SS..Hα-helixtrans-64.5-40.5179.7-72.3-179.6-51.900112.3K327 Q328 L329 Q335K327-Q331 WeakPolarHBondContact O-CG 3.43Å; K327-Q331 PolarHBondContact O-N 2.89Å; Q328-Q331 PolarHBondContact O-N 3Å; L329-Q331 PolarHBondContact O-N 3.17Å; Q331-Q335 VanDerWaalsContact O-CB 3.28Å; Q331-Q335 WeakPolarHBondContact O-CB 2.99Å; Q331-Q335 PolarHBondContact O-N 2.9Å
332M89.8Confident87.7Confident45 Ų4554.2 Ų54.222%0.22227%0.272CS..Hα-helixtrans-66.9-42.6178.2-73.1-59.1-174.400112.3Q328 L329 Q335 F336 L446 F449 L452Q328-M332 HydrophobicContact CG-CG 4.47Å; Q328-M332 WeakPolarHBondContact O-CB 3.22Å; Q328-M332 VanDerWaalsContact O-CG 3.29Å; Q328-M332 WeakPolarHBondContact O-CG 3.41Å; Q328-M332 PolarHBondContact O-N 3.43Å; L329-M332 PolarHBondContact O-N 3.38Å; M332-Q335 PolarHBondContact O-N 3.25Å; M332-F336 WeakPolarHBondContact O-CB 3.47Å; M332-F336 PolarHBondContact O-N 3.12Å; M332-L446 HydrophobicContact CB-CD2 3.79Å; M332-L446 HydrophobicContact CG-CD2 4.31Å; M332-L446 HydrophobicContact SD-CD2 4.14Å; M332-F449 HydrophobicContact CE-CD2 4.42Å; M332-F449 HydrophobicContact CE-CE2 4.05Å; M332-L452 HydrophobicContact CB-CD2 4.04Å
333V91.7Very high88.4Confident10 Ų1054.5 Ų54.56%0.06126%0.264CS..Hα-helixtrans-68.8-39.9177176.30000111.4L329 L330 F336 S337 L693 L694 L697L329-V333 HydrophobicContact CD1-CG2 3.97Å; L329-V333 WeakPolarHBondContact O-CG2 3.45Å; L329-V333 PolarHBondContact O-N 2.9Å; L330-V333 PolarHBondContact O-N 2.96Å; V333-F336 PolarHBondContact O-N 3.47Å; V333-S337 PolarHBondContact O-N 3.46Å; V333-L693 HydrophobicContact CG1-CD2 4.19Å; V333-L693 HydrophobicContact CG1-CG 4.3Å; V333-L694 HydrophobicContact CB-CD1 4.12Å; V333-L694 HydrophobicContact CG1-CB 4.13Å; V333-L694 HydrophobicContact CG1-CD1 4.17Å; V333-L694 HydrophobicContact CG2-CD1 4.12Å; V333-L697 HydrophobicContact CG1-CD1 4.45Å; V333-L697 HydrophobicContact CG2-CD1 3.45Å; V333-L697 VanDerWaalsContact CG2-CD1 3.45Å
334Q91.5Very high89Confident109 Ų10951.7 Ų51.751%0.50924%0.242SC..Hα-helixtrans-61-44.9172.6-76.7175.8-17.100111.7L330 S337 V338L330-Q334 HydrophobicContact CD1-CG 4.24Å; L330-Q334 WeakPolarHBondContact O-CB 3.19Å; L330-Q334 VanDerWaalsContact O-CG 3.23Å; L330-Q334 WeakPolarHBondContact O-CG 3.39Å; L330-Q334 PolarHBondContact O-N 3.45Å; Q334-S337 PolarHBondContact O-N 3.13Å; Q334-V338 WeakPolarHBondContact O-CG2 3.39Å; Q334-V338 PolarHBondContact O-N 2.97Å
335Q91.4Very high89.6Confident88 Ų8851.8 Ų51.841%0.41125%0.247SC..Hα-helixtrans-63.8-42.8177.5-175.957.355.900111.8Q331 M332 S337 V338 D339Q331-Q335 VanDerWaalsContact O-CB 3.28Å; Q331-Q335 WeakPolarHBondContact O-CB 2.99Å; Q331-Q335 PolarHBondContact O-N 2.9Å; M332-Q335 PolarHBondContact O-N 3.25Å; Q335-S337 VanDerWaalsContact C-N 3.34Å; Q335-S337 PolarHBondContact O-N 2.69Å; Q335-V338 PolarHBondContact O-N 2.93Å; Q335-D339 PolarHBondContact NE2-OD1 2.99Å; Q335-D339 PolarHBondContact NE2-OD2 3.31Å; Q335-D339 WeakPolarHBondContact O-CB 3.39Å; Q335-D339 PolarHBondContact O-N 3.35Å
336F94.7Very high89.9Confident4 Ų453.8 Ų53.82%0.01827%0.274CS..Hα-helixtrans-58.2-43.7173.6172.9-92.6000112M332 V333 D339 F340 V439 C442 L446 T456 V460 I689 L693M332-F336 WeakPolarHBondContact O-CB 3.47Å; M332-F336 PolarHBondContact O-N 3.12Å; V333-F336 PolarHBondContact O-N 3.47Å; F336-D339 PolarHBondContact O-N 3.31Å; F336-F340 WeakPolarHBondContact O-CB 3.34Å; F336-F340 PolarHBondContact O-N 3.14Å; F336-V439 HydrophobicContact CZ-CG1 4.24Å; F336-C442 HydrophobicContact CD2-CB 3.73Å; F336-C442 HydrophobicContact CE2-CB 3.6Å; F336-L446 HydrophobicContact CD2-CD1 4.23Å; F336-T456 HydrophobicContact CD1-CG2 4.15Å; F336-T456 HydrophobicContact CD2-CG2 4.3Å; F336-T456 HydrophobicContact CE1-CG2 3.96Å; F336-T456 HydrophobicContact CE2-CG2 4.1Å; F336-T456 HydrophobicContact CG-CG2 4.33Å; F336-T456 HydrophobicContact CZ-CG2 3.93Å; F336-V460 HydrophobicContact CE1-CG2 4.25Å; F336-V460 HydrophobicContact CZ-CG2 4.44Å; F336-I689 HydrophobicContact CD1-CG2 3.97Å; F336-I689 HydrophobicContact CE1-CD1 4.35Å; F336-I689 HydrophobicContact CE1-CG1 4.45Å; F336-I689 HydrophobicContact CE1-CG2 3.83Å; F336-L693 HydrophobicContact CD1-CD2 3.86Å; F336-L693 HydrophobicContact CE1-CD2 3.83Å
337S94.1Very high89.6Confident4 Ų454.5 Ų54.53%0.02828%0.281CS..Hα-helixtrans-62.3-48.6177.3-1660000112.1V333 Q334 Q335 D339 F340 E341 N690V333-S337 PolarHBondContact O-N 3.46Å; Q334-S337 PolarHBondContact O-N 3.13Å; Q335-S337 VanDerWaalsContact C-N 3.34Å; Q335-S337 PolarHBondContact O-N 2.69Å; S337-D339 VanDerWaalsContact C-N 3.32Å; S337-D339 PolarHBondContact O-N 2.93Å; S337-F340 PolarHBondContact O-N 2.85Å; S337-E341 PolarHBondContact O-N 2.94Å; S337-N690 PolarHBondContact OG-ND2 3.4Å; S337-N690 PolarHBondContact OG-OD1 3.39Å
338V92.3Very high88.8Confident62 Ų6249.8 Ų49.838%0.37627%0.269SS..Hα-helixtrans-61.7-39.8177.6170.80000111.5Q334 Q335 K342Q334-V338 WeakPolarHBondContact O-CG2 3.39Å; Q334-V338 PolarHBondContact O-N 2.97Å; Q335-V338 PolarHBondContact O-N 2.93Å; V338-K342 HydrophobicContact CG1-CD 4.02Å; V338-K342 HydrophobicContact CG1-CG 4.48Å; V338-K342 VanDerWaalsContact O-CB 3.31Å; V338-K342 WeakPolarHBondContact O-CB 3.37Å; V338-K342 VanDerWaalsContact O-CG 3.25Å; V338-K342 WeakPolarHBondContact O-CG 3.26Å; V338-K342 PolarHBondContact O-N 3.46Å
339D91.2Very high88Confident19 Ų1954 Ų5410%0.10229%0.293CS..Hα-helixtrans-68.7-38.1177-77.4-43.9000112.7Q335 F336 S337 R343 C442 K445Q335-D339 PolarHBondContact NE2-OD1 2.99Å; Q335-D339 PolarHBondContact NE2-OD2 3.31Å; Q335-D339 WeakPolarHBondContact O-CB 3.39Å; Q335-D339 PolarHBondContact O-N 3.35Å; F336-D339 PolarHBondContact O-N 3.31Å; S337-D339 VanDerWaalsContact C-N 3.32Å; S337-D339 PolarHBondContact O-N 2.93Å; D339-R343 WeakPolarHBondContact O-CG 3.21Å; D339-R343 PolarHBondContact O-N 3.39Å; D339-C442 HydrophobicContact CB-CB 4.49Å; D339-K445 IonicContact OD1-NZ 3.21Å; D339-K445 PolarHBondContact OD1-NZ 3.27Å; D339-K445 VanDerWaalsContact OD2-CD 3.25Å; D339-K445 WeakPolarHBondContact OD2-CD 3.24Å; D339-K445 WeakPolarHBondContact OD2-CE 3.35Å; D339-K445 IonicContact OD2-NZ 2.77Å; D339-K445 PolarHBondContact OD2-NZ 2.92Å
340F93.6Very high86.8Confident1 Ų162.8 Ų62.80%0.00433%0.334CS..Hα-helixtrans-64-48.4174.1-177.7-93.5000111.2F336 S337 K342 R343 I344 L435 T438 V439 V685 I689F336-F340 WeakPolarHBondContact O-CB 3.34Å; F336-F340 PolarHBondContact O-N 3.14Å; S337-F340 PolarHBondContact O-N 2.85Å; F340-K342 PolarHBondContact O-N 2.87Å; F340-R343 PolarHBondContact O-N 2.99Å; F340-I344 HydrophobicContact CD1-CG1 4.2Å; F340-I344 HydrophobicContact CE1-CG1 3.83Å; F340-I344 HydrophobicContact CE2-CD1 4.48Å; F340-I344 HydrophobicContact CE2-CG1 4.23Å; F340-I344 HydrophobicContact CZ-CD1 4.24Å; F340-I344 HydrophobicContact CZ-CG1 3.84Å; F340-I344 WeakPolarHBondContact O-CG1 3.33Å; F340-I344 PolarHBondContact O-N 2.86Å; F340-L435 HydrophobicContact CZ-CD2 4.16Å; F340-T438 HydrophobicContact CD2-CG2 3.93Å; F340-T438 HydrophobicContact CE2-CG2 4.01Å; F340-V439 HydrophobicContact CD2-CG2 4.25Å; F340-V439 HydrophobicContact CE2-CG2 3.86Å; F340-V685 HydrophobicContact CE1-CG1 4.25Å; F340-V685 HydrophobicContact CZ-CG1 3.9Å; F340-I689 HydrophobicContact CD1-CD1 3.61Å; F340-I689 HydrophobicContact CD2-CD1 4.06Å; F340-I689 HydrophobicContact CE1-CD1 3.65Å; F340-I689 HydrophobicContact CE2-CD1 4.1Å; F340-I689 HydrophobicContact CG-CD1 3.82Å; F340-I689 HydrophobicContact CZ-CD1 3.9Å
341E91.8Very high85.9Confident54 Ų5465.6 Ų65.625%0.25235%0.353SS..Hα-helixtrans-59.8-45.2176-175.6162.3-126.200111.5S337 R343 I344 E345 K686S337-E341 PolarHBondContact O-N 2.94Å; E341-R343 VanDerWaalsContact C-N 3.35Å; E341-R343 PolarHBondContact O-N 3.29Å; E341-I344 PolarHBondContact O-N 3.14Å; E341-E345 HydrophobicContact CG-CG 4.3Å; E341-E345 WeakPolarHBondContact O-CB 3.45Å; E341-E345 PolarHBondContact O-N 2.75Å; E341-K686 HydrophobicContact CB-CD 4.48Å; E341-K686 HydrophobicContact CG-CD 4.06Å; E341-K686 WeakPolarHBondContact OE1-CD 3.29Å; E341-K686 WeakPolarHBondContact OE1-CE 3.41Å; E341-K686 IonicContact OE1-NZ 3.27Å; E341-K686 PolarHBondContact OE1-NZ 3.33Å
342K90.4Very high84.9Confident50 Ų5064.8 Ų64.822%0.21735%0.352CS..Hα-helixtrans-58.3-39.9175.1-79.2178.2166-177.70113.6V338 F340 G346 S347 D349V338-K342 HydrophobicContact CG1-CD 4.02Å; V338-K342 HydrophobicContact CG1-CG 4.48Å; V338-K342 VanDerWaalsContact O-CB 3.31Å; V338-K342 WeakPolarHBondContact O-CB 3.37Å; V338-K342 VanDerWaalsContact O-CG 3.25Å; V338-K342 WeakPolarHBondContact O-CG 3.26Å; V338-K342 PolarHBondContact O-N 3.46Å; F340-K342 PolarHBondContact O-N 2.87Å; K342-G346 CarbonylContact O-C 3.57Å; K342-G346 WeakPolarHBondContact O-CA 3.36Å; K342-G346 PolarHBondContact O-N 2.57Å; K342-S347 PolarHBondContact O-N 3.29Å; K342-D349 IonicContact NZ-OD1 3.89Å; K342-D349 IonicContact NZ-OD2 3.19Å; K342-D349 PolarHBondContact NZ-OD2 3.41Å
343R90.2Very high84.4Confident83 Ų8369 Ų6931%0.31338%0.381SS..Hα-helixtrans-73.7-30.8177-75.2-169.2-173.3-92.4-3.4113.7D339 F340 E341 G359 T438D339-R343 WeakPolarHBondContact O-CG 3.21Å; D339-R343 PolarHBondContact O-N 3.39Å; F340-R343 PolarHBondContact O-N 2.99Å; E341-R343 VanDerWaalsContact C-N 3.35Å; E341-R343 PolarHBondContact O-N 3.29Å; R343-G359 PolarHBondContact O-N 3.22Å; R343-T438 HydrophobicContact CB-CG2 3.77Å
344I92.6Very high83.7Confident22 Ų2274.7 Ų74.711%0.11342%0.415CS..Hα-helixtrans-82.6-38.1179.5-65.7-62.5000111.8F340 E341 G359 I362 L435 T438 I682F340-I344 HydrophobicContact CD1-CG1 4.2Å; F340-I344 HydrophobicContact CE1-CG1 3.83Å; F340-I344 HydrophobicContact CE2-CD1 4.48Å; F340-I344 HydrophobicContact CE2-CG1 4.23Å; F340-I344 HydrophobicContact CZ-CD1 4.24Å; F340-I344 HydrophobicContact CZ-CG1 3.84Å; F340-I344 WeakPolarHBondContact O-CG1 3.33Å; F340-I344 PolarHBondContact O-N 2.86Å; E341-I344 PolarHBondContact O-N 3.14Å; I344-G359 VanDerWaalsContact O-CA 3.26Å; I344-G359 WeakPolarHBondContact O-CA 3.23Å; I344-I362 HydrophobicContact CD1-CD1 3.96Å; I344-L435 HydrophobicContact CD1-CD2 3.77Å; I344-T438 HydrophobicContact CD1-CG2 4.04Å; I344-T438 HydrophobicContact CG1-CG2 4.36Å; I344-I682 HydrophobicContact CG2-CG2 3.81Å
345E89.6Confident82.9Confident117 Ų11775.5 Ų75.555%0.54742%0.419SS..Hα-helixtrans-93.9-14.1-178.1-59.7-167.9167.100113.8E341 K686E341-E345 HydrophobicContact CG-CG 4.3Å; E341-E345 WeakPolarHBondContact O-CB 3.45Å; E341-E345 PolarHBondContact O-N 2.75Å; E345-K686 IonicContact OE1-NZ 3.69Å; E345-K686 PolarHBondContact OE1-NZ 3.28Å
346G84.2Confident82.5Confident64 Ų6475.6 Ų75.666%0.6642%0.422SS*.THydrogen-bonded Turntrans80.419.3-179.200000114.4K342 G348K342-G346 CarbonylContact O-C 3.57Å; K342-G346 WeakPolarHBondContact O-CA 3.36Å; K342-G346 PolarHBondContact O-N 2.57Å; G346-G348 VanDerWaalsContact C-N 3.35Å; G346-G348 PolarHBondContact O-N 2.91Å
347S78.8Confident81.8Confident64 Ų6476.7 Ų76.745%0.44843%0.43SS..  trans-93.425.8-175.454.10000114.2K342K342-S347 PolarHBondContact O-N 3.29Å
348G67.3Low81.5Confident28 Ų2876.5 Ų76.529%0.28943%0.429SS..  trans-74.9144.5-178.500000114.6G346 Q350G346-G348 VanDerWaalsContact C-N 3.35Å; G346-G348 PolarHBondContact O-N 2.91Å; G348-Q350 PolarHBondContact O-N 3.22Å
349D66.7Low81.4Confident141 Ų14174.4 Ų74.475%0.75442%0.419SS*.SBendtrans-73.3-17176.5-40.4-77.9000112.7K342K342-D349 IonicContact NZ-OD1 3.89Å; K342-D349 IonicContact NZ-OD2 3.19Å; K342-D349 PolarHBondContact NZ-OD2 3.41Å
350Q62.5Low81.4Confident187 Ų18775.6 Ų75.687%0.87443%0.432SS*.SBendtrans-124.1123.8174-65.4179.9-1.600107.8G348G348-Q350 PolarHBondContact O-N 3.22Å
351V70.3Confident81.3Confident119 Ų11978.5 Ų78.572%0.72145%0.445SS*.  trans-101.3123.8179.3-179.10000108.4T353V351-T353 PolarHBondContact O-N 3.01Å
352D67.5Low81.5Confident90 Ų9076.3 Ų76.348%0.48143%0.434SS..  trans-68.1123.2170.3-166.9-31.2000109.1V354 E355D352-V354 PolarHBondContact OD1-N 3.14Å; D352-E355 PolarHBondContact OD1-N 3.39Å; D352-E355 VanDerWaalsContact OD1-N 3.16Å
353T79.8Confident81.7Confident134 Ų13478.3 Ų78.382%0.82245%0.448SS*.SBendtrans-101.4-1.5-178.3550000113.2V351V351-T353 PolarHBondContact O-N 3.01Å
354V76.4Confident81.9Confident128 Ų12880.4 Ų80.478%0.77646%0.456SS*.SBendtrans-103.7-47.1-175.4-172.90000110.4D352D352-V354 PolarHBondContact OD1-N 3.14Å
355E76.7Confident82Confident126 Ų12680.4 Ų80.459%0.58946%0.455SS*.SBendtrans-124.9140.5-177-69.8-164-164.600114.1D352 S357 K361D352-E355 PolarHBondContact OD1-N 3.39Å; D352-E355 VanDerWaalsContact OD1-N 3.16Å; E355-S357 PolarHBondContact O-N 3.03Å; E355-K361 IonicContact OE2-NZ 2.64Å
356L81.2Confident82.3Confident90 Ų9075.2 Ų75.247%0.47143%0.431SS..  trans-62.4135.1163.6-64.1171.6000109.2A360 K361L356-A360 HydrophobicContact CD2-CB 4.08Å; L356-K361 HydrophobicContact CB-CG 3.91Å; L356-K361 VanDerWaalsContact O-CD 3.25Å; L356-K361 WeakPolarHBondContact O-CD 3.39Å; L356-K361 WeakPolarHBondContact O-CE 3.23Å; L356-K361 PolarHBondContact O-NZ 3.18Å
357S80.6Confident82.6Confident28 Ų2878.3 Ų78.320%0.19643%0.428CS..  trans-141.6152.9179.5550000112.4E355 G359 A360E355-S357 PolarHBondContact O-N 3.03Å; S357-G359 PolarHBondContact O-N 3.08Å; S357-A360 PolarHBondContact O-N 3.23Å; S357-A360 VanDerWaalsContact O-N 3.1Å
358G87Confident83.2Confident0 Ų080.6 Ų80.60%043%0.432CS..THydrogen-bonded Turntrans54-119.5170.300000113.2A360 K361 I362 E434G358-A360 PolarHBondContact O-N 3.45Å; G358-K361 PolarHBondContact O-N 3.38Å; G358-K361 VanDerWaalsContact O-N 3.08Å; G358-I362 WeakPolarHBondContact O-CG1 3.43Å; G358-I362 PolarHBondContact O-N 2.93Å; G358-E434 WeakPolarHBondContact CA-OE1 3.36Å; G358-E434 PolarHBondContact N-OE1 3.03Å
359G91.3Very high84.3Confident17 Ų1784.6 Ų84.618%0.17544%0.438CS..Hα-helixtrans-54.1-35.3-179.300000114.3R343 I344 S357 I362 N363R343-G359 PolarHBondContact O-N 3.22Å; I344-G359 VanDerWaalsContact O-CA 3.26Å; I344-G359 WeakPolarHBondContact O-CA 3.23Å; S357-G359 PolarHBondContact O-N 3.08Å; G359-I362 PolarHBondContact O-N 3.01Å; G359-N363 WeakPolarHBondContact O-CB 3.31Å; G359-N363 PolarHBondContact O-N 3.49Å
360A90.6Very high85.6Confident45 Ų4577.9 Ų77.937%0.37240%0.402SS..Hα-helixtrans-70-37.8179.200000112.3L356 S357 G358 R364L356-A360 HydrophobicContact CD2-CB 4.08Å; S357-A360 PolarHBondContact O-N 3.23Å; S357-A360 VanDerWaalsContact O-N 3.1Å; G358-A360 PolarHBondContact O-N 3.45Å; A360-R364 PolarHBondContact O-N 3.1Å; A360-R364 VanDerWaalsContact O-N 3.1Å
361K92.6Very high87Confident62 Ų6270.4 Ų70.427%0.2737%0.37SS..Hα-helixtrans-68.9-39.8172.9-86.8175.8169.6142.70111.3E355 L356 G358 R364 I365 E434E355-K361 IonicContact OE2-NZ 2.64Å; L356-K361 HydrophobicContact CB-CG 3.91Å; L356-K361 VanDerWaalsContact O-CD 3.25Å; L356-K361 WeakPolarHBondContact O-CD 3.39Å; L356-K361 WeakPolarHBondContact O-CE 3.23Å; L356-K361 PolarHBondContact O-NZ 3.18Å; G358-K361 PolarHBondContact O-N 3.38Å; G358-K361 VanDerWaalsContact O-N 3.08Å; K361-R364 WeakPolarHBondContact O-CB 3.28Å; K361-R364 PolarHBondContact O-N 2.94Å; K361-I365 WeakPolarHBondContact O-CG1 3.48Å; K361-I365 PolarHBondContact O-N 2.82Å; K361-E434 HydrophobicContact CB-CG 3.77Å; K361-E434 VanDerWaalsContact CD-CD 3.44Å; K361-E434 HydrophobicContact CD-CG 4.48Å; K361-E434 VanDerWaalsContact CD-OE1 3.22Å; K361-E434 WeakPolarHBondContact CD-OE1 3.33Å; K361-E434 WeakPolarHBondContact CD-OE2 3.31Å
362I95.2Very high87.7Confident7 Ų768.7 Ų68.74%0.03635%0.353CS..Hα-helixtrans-62.3-44.7174.7-66.5171.7000111.4I344 G358 G359 R364 I365 F366 V431 E434 L435 I682I344-I362 HydrophobicContact CD1-CD1 3.96Å; G358-I362 WeakPolarHBondContact O-CG1 3.43Å; G358-I362 PolarHBondContact O-N 2.93Å; G359-I362 PolarHBondContact O-N 3.01Å; I362-R364 VanDerWaalsContact C-N 3.34Å; I362-R364 PolarHBondContact O-N 3.03Å; I362-I365 WeakPolarHBondContact O-CB 3.24Å; I362-I365 PolarHBondContact O-N 2.79Å; I362-I365 VanDerWaalsContact O-N 3.12Å; I362-F366 HydrophobicContact CG2-CD2 3.93Å; I362-F366 HydrophobicContact CG2-CE2 3.43Å; I362-F366 VanDerWaalsContact CG2-CE2 3.43Å; I362-F366 HydrophobicContact CG2-CZ 3.87Å; I362-F366 PolarHBondContact O-N 3.32Å; I362-V431 HydrophobicContact CD1-CG1 4.45Å; I362-V431 HydrophobicContact CG1-CG1 4.44Å; I362-V431 HydrophobicContact CG2-CG1 4.49Å; I362-V431 HydrophobicContact CG2-CG2 4.45Å; I362-E434 HydrophobicContact CG1-CB 4.22Å; I362-E434 HydrophobicContact CG1-CG 3.99Å; I362-L435 HydrophobicContact CD1-CD2 3.97Å; I362-L435 HydrophobicContact CD1-CG 4.35Å; I362-I682 HydrophobicContact CD1-CD1 4.25Å; I362-I682 HydrophobicContact CG2-CD1 3.8Å
363N94.3Very high88.6Confident93 Ų9365 Ų6550%0.49733%0.333SS..Hα-helixtrans-56.6-47.5174.1-176.2-17.7000111G359 I365 F366 H367G359-N363 WeakPolarHBondContact O-CB 3.31Å; G359-N363 PolarHBondContact O-N 3.49Å; N363-I365 VanDerWaalsContact C-N 3.32Å; N363-I365 PolarHBondContact O-N 3.12Å; N363-F366 PolarHBondContact O-N 2.79Å; N363-H367 PolarHBondContact O-CD2 2.71Å; N363-H367 PolarHBondContact O-N 3.08Å; N363-H367 PolarHBondContact OD1-CD2 2.62Å; N363-H367 VanDerWaalsContact OD1-CD2 3.23Å
364R94.1Very high88.9Confident127 Ų12758.9 Ų58.948%0.47930%0.295SS..Hα-helixtrans-59.4-39.1174.5-169.1172.5-173.7-154.5-3.8113A360 K361 I362 E368 R369A360-R364 PolarHBondContact O-N 3.1Å; A360-R364 VanDerWaalsContact O-N 3.1Å; K361-R364 WeakPolarHBondContact O-CB 3.28Å; K361-R364 PolarHBondContact O-N 2.94Å; I362-R364 VanDerWaalsContact C-N 3.34Å; I362-R364 PolarHBondContact O-N 3.03Å; R364-E368 HydrophobicContact CG-CB 4.14Å; R364-E368 HydrophobicContact CG-CG 4.21Å; R364-E368 WeakPolarHBondContact CG-OE2 3.12Å; R364-E368 IonicContact CZ-OE2 3.62Å; R364-E368 IonicContact NE-OE2 2.72Å; R364-E368 PolarHBondContact NE-OE2 2.79Å; R364-E368 IonicContact NH2-OE2 3.73Å; R364-E368 WeakPolarHBondContact O-CA 3.13Å; R364-E368 WeakPolarHBondContact O-CB 3.47Å; R364-E368 PolarHBondContact O-N 3.16Å; R364-R369 PolarHBondContact O-N 3.49Å
365I95.4Very high89.1Confident21 Ų2155.2 Ų55.211%0.10827%0.273CS..Iπ-helixtrans-61.2-49.2175.1-69.9159.5000110.5K361 I362 N363 R369 F370 M430 V431K361-I365 WeakPolarHBondContact O-CG1 3.48Å; K361-I365 PolarHBondContact O-N 2.82Å; I362-I365 WeakPolarHBondContact O-CB 3.24Å; I362-I365 PolarHBondContact O-N 2.79Å; I362-I365 VanDerWaalsContact O-N 3.12Å; N363-I365 VanDerWaalsContact C-N 3.32Å; N363-I365 PolarHBondContact O-N 3.12Å; I365-R369 PolarHBondContact O-N 3.43Å; I365-F370 VanDerWaalsContact O-CB 3.29Å; I365-F370 WeakPolarHBondContact O-CB 3.49Å; I365-F370 PolarHBondContact O-N 2.83Å; I365-M430 HydrophobicContact CD1-CB 3.93Å; I365-M430 HydrophobicContact CG1-CB 4.21Å; I365-M430 HydrophobicContact CG2-CB 4.01Å; I365-M430 HydrophobicContact CG2-CE 4.13Å; I365-V431 HydrophobicContact CB-CG2 4.49Å; I365-V431 HydrophobicContact CD1-CG2 4.43Å; I365-V431 HydrophobicContact CG2-CG2 3.9Å
366F95.8Very high89Confident9 Ų956.1 Ų56.14%0.03928%0.275CS..Iπ-helixtrans-68.9-39.3-177.9-66.7-32.2000114.3I362 N363 P371 V431 P674 I677 M678 I682I362-F366 HydrophobicContact CG2-CD2 3.93Å; I362-F366 HydrophobicContact CG2-CE2 3.43Å; I362-F366 VanDerWaalsContact CG2-CE2 3.43Å; I362-F366 HydrophobicContact CG2-CZ 3.87Å; I362-F366 PolarHBondContact O-N 3.32Å; N363-F366 PolarHBondContact O-N 2.79Å; F366-P371 VanDerWaalsContact O-CD 3.31Å; F366-P371 WeakPolarHBondContact O-CD 3.5Å; F366-V431 HydrophobicContact CD1-CG2 4.38Å; F366-V431 HydrophobicContact CE1-CG2 3.63Å; F366-V431 HydrophobicContact CZ-CG2 3.98Å; F366-P674 HydrophobicContact CB-CB 4.1Å; F366-P674 HydrophobicContact CB-CG 4.03Å; F366-P674 HydrophobicContact CD1-CB 3.8Å; F366-P674 HydrophobicContact CD1-CG 3.96Å; F366-P674 HydrophobicContact CD2-CB 4.01Å; F366-P674 HydrophobicContact CE1-CB 4.16Å; F366-P674 HydrophobicContact CE2-CB 4.35Å; F366-P674 HydrophobicContact CG-CB 3.72Å; F366-P674 HydrophobicContact CG-CG 4.04Å; F366-P674 HydrophobicContact CZ-CB 4.43Å; F366-I677 HydrophobicContact CE1-CB 4.07Å; F366-I677 HydrophobicContact CE1-CD1 3.86Å; F366-I677 HydrophobicContact CE1-CG2 4.08Å; F366-I677 HydrophobicContact CZ-CB 3.99Å; F366-I677 HydrophobicContact CZ-CG2 3.84Å; F366-M678 HydrophobicContact CE2-CG 3.88Å; F366-M678 HydrophobicContact CE2-SD 3.87Å; F366-M678 HydrophobicContact CZ-CG 4.32Å; F366-I682 HydrophobicContact CE2-CD1 4.24Å; F366-I682 HydrophobicContact CZ-CD1 4.08Å
367H91.4Very high88.3Confident128 Ų12854.6 Ų54.659%0.59327%0.266SS*.Iπ-helixtrans-106.3-20.6-167.8-65.8-71.5000115N363N363-H367 PolarHBondContact O-CD2 2.71Å; N363-H367 PolarHBondContact O-N 3.08Å; N363-H367 PolarHBondContact OD1-CD2 2.62Å; N363-H367 VanDerWaalsContact OD1-CD2 3.23Å
368E90.9Very high87.5Confident113 Ų11358.5 Ų58.553%0.52828%0.281SS..Iπ-helixtrans-108.8-57.1172.8-62.9177.2-15900111.6R364 F372R364-E368 HydrophobicContact CG-CB 4.14Å; R364-E368 HydrophobicContact CG-CG 4.21Å; R364-E368 WeakPolarHBondContact CG-OE2 3.12Å; R364-E368 IonicContact CZ-OE2 3.62Å; R364-E368 IonicContact NE-OE2 2.72Å; R364-E368 PolarHBondContact NE-OE2 2.79Å; R364-E368 IonicContact NH2-OE2 3.73Å; R364-E368 WeakPolarHBondContact O-CA 3.13Å; R364-E368 WeakPolarHBondContact O-CB 3.47Å; R364-E368 PolarHBondContact O-N 3.16Å; E368-F372 WeakPolarHBondContact O-CB 3.49Å; E368-F372 PolarHBondContact O-N 3.28Å
369R90.3Very high86.2Confident112 Ų11259.2 Ų59.242%0.42329%0.286SS..Iπ-helixtrans-74.4-45.5-167.2-171.860.4-175.5-144.74.3113.2R364 I365 F372 E373 M430R364-R369 PolarHBondContact O-N 3.49Å; I365-R369 PolarHBondContact O-N 3.43Å; R369-F372 WeakPolarHBondContact O-CB 3.34Å; R369-F372 PolarHBondContact O-N 3.36Å; R369-E373 HydrophobicContact CG-CG 4.39Å; R369-E373 IonicContact CZ-OE1 3.37Å; R369-E373 IonicContact NE-OE1 3.56Å; R369-E373 PolarHBondContact NE-OE1 2.93Å; R369-E373 IonicContact NH2-OE1 3.49Å; R369-E373 PolarHBondContact NH2-OE1 3.19Å; R369-E373 WeakPolarHBondContact O-CG 3.43Å; R369-E373 PolarHBondContact O-N 3.38Å; R369-M430 HydrophobicContact CG-CE 3.9Å; R369-M430 HydrophobicContact CG-SD 3.83Å
370F93.9Very high85.4Confident0 Ų061.8 Ų61.80%030%0.296CS..Hα-helixtrans-64.3-46.1-178.5174.3-125.8000112.7I365 F372 E373 L374 C424 C427 I669 I673I365-F370 VanDerWaalsContact O-CB 3.29Å; I365-F370 WeakPolarHBondContact O-CB 3.49Å; I365-F370 PolarHBondContact O-N 2.83Å; F370-F372 VanDerWaalsContact C-N 3.27Å; F370-F372 PolarHBondContact O-N 3.48Å; F370-E373 PolarHBondContact O-N 3.29Å; F370-L374 HydrophobicContact CD1-CD1 4.42Å; F370-L374 HydrophobicContact CD2-CD1 4.43Å; F370-L374 HydrophobicContact CD2-CG 4.29Å; F370-L374 HydrophobicContact CE1-CD1 4.02Å; F370-L374 HydrophobicContact CE2-CD1 4.02Å; F370-L374 HydrophobicContact CE2-CD2 3.95Å; F370-L374 HydrophobicContact CE2-CG 3.94Å; F370-L374 HydrophobicContact CZ-CD1 3.81Å; F370-L374 HydrophobicContact CZ-CD2 4.2Å; F370-L374 HydrophobicContact CZ-CG 4.22Å; F370-L374 WeakPolarHBondContact O-CG 3.31Å; F370-L374 PolarHBondContact O-N 3.47Å; F370-L374 VanDerWaalsContact O-N 3.09Å; F370-C424 HydrophobicContact CE2-CB 4.45Å; F370-C427 HydrophobicContact CB-CB 4.33Å; F370-C427 HydrophobicContact CD2-CB 3.59Å; F370-C427 HydrophobicContact CE2-CB 4.04Å; F370-C427 HydrophobicContact CG-CB 4.01Å; F370-I669 HydrophobicContact CZ-CG2 3.91Å; F370-I673 HydrophobicContact CE1-CB 3.81Å; F370-I673 HydrophobicContact CE1-CG1 4.3Å; F370-I673 HydrophobicContact CE1-CG2 4.03Å; F370-I673 HydrophobicContact CZ-CB 3.87Å; F370-I673 HydrophobicContact CZ-CG1 3.97Å; F370-I673 HydrophobicContact CZ-CG2 3.9Å
371P90.9Very high84.8Confident29 Ų2962.8 Ų62.819%0.18830%0.295CS..Hα-helixtrans-57.9-36.8171.5-27.637.1000113.6F366 L374 V375 R670F366-P371 VanDerWaalsContact O-CD 3.31Å; F366-P371 WeakPolarHBondContact O-CD 3.5Å; P371-L374 PolarHBondContact O-N 3.02Å; P371-V375 WeakPolarHBondContact O-CG2 3.31Å; P371-V375 PolarHBondContact O-N 3.15Å; P371-V375 VanDerWaalsContact O-N 3.11Å; P371-R670 HydrophobicContact CG-CG 4.47Å
372F86.2Confident84.3Confident84 Ų8467.8 Ų67.837%0.36832%0.317SS..Hα-helixtrans-65.5-43.8175.1172.3-94.8000112.7E368 R369 F370 L374 V375 K376E368-F372 WeakPolarHBondContact O-CB 3.49Å; E368-F372 PolarHBondContact O-N 3.28Å; R369-F372 WeakPolarHBondContact O-CB 3.34Å; R369-F372 PolarHBondContact O-N 3.36Å; F370-F372 VanDerWaalsContact C-N 3.27Å; F370-F372 PolarHBondContact O-N 3.48Å; F372-L374 VanDerWaalsContact C-N 3.29Å; F372-L374 PolarHBondContact O-N 3.19Å; F372-V375 PolarHBondContact O-N 3.2Å; F372-K376 HydrophobicContact CE1-CD 4.19Å; F372-K376 HydrophobicContact CZ-CD 4.47Å; F372-K376 VanDerWaalsContact O-CB 3.31Å; F372-K376 WeakPolarHBondContact O-CB 3.26Å; F372-K376 PolarHBondContact O-N 2.88Å
373E85.3Confident83.9Confident12 Ų1270.5 Ų70.56%0.05633%0.329CS..Hα-helixtrans-64.6-33177.3-64-79.4175.200111.9R369 F370 M377 P423 K426R369-E373 HydrophobicContact CG-CG 4.39Å; R369-E373 IonicContact CZ-OE1 3.37Å; R369-E373 IonicContact NE-OE1 3.56Å; R369-E373 PolarHBondContact NE-OE1 2.93Å; R369-E373 IonicContact NH2-OE1 3.49Å; R369-E373 PolarHBondContact NH2-OE1 3.19Å; R369-E373 WeakPolarHBondContact O-CG 3.43Å; R369-E373 PolarHBondContact O-N 3.38Å; F370-E373 PolarHBondContact O-N 3.29Å; E373-M377 WeakPolarHBondContact O-CG 3.46Å; E373-P423 HydrophobicContact CB-CB 4.03Å; E373-K426 WeakPolarHBondContact OE1-CE 3.37Å; E373-K426 IonicContact OE1-NZ 3.33Å; E373-K426 PolarHBondContact OE1-NZ 2.89Å; E373-K426 IonicContact OE2-NZ 2.75Å; E373-K426 PolarHBondContact OE2-NZ 3.5Å
374L86.8Confident83.5Confident5 Ų566.7 Ų66.73%0.02631%0.308CS..Hα-helixtrans-65.8-46.4172.6-66170.4000112.1F370 P371 F372 M377 L420 P423 I669 R670F370-L374 HydrophobicContact CD1-CD1 4.42Å; F370-L374 HydrophobicContact CD2-CD1 4.43Å; F370-L374 HydrophobicContact CD2-CG 4.29Å; F370-L374 HydrophobicContact CE1-CD1 4.02Å; F370-L374 HydrophobicContact CE2-CD1 4.02Å; F370-L374 HydrophobicContact CE2-CD2 3.95Å; F370-L374 HydrophobicContact CE2-CG 3.94Å; F370-L374 HydrophobicContact CZ-CD1 3.81Å; F370-L374 HydrophobicContact CZ-CD2 4.2Å; F370-L374 HydrophobicContact CZ-CG 4.22Å; F370-L374 WeakPolarHBondContact O-CG 3.31Å; F370-L374 PolarHBondContact O-N 3.47Å; F370-L374 VanDerWaalsContact O-N 3.09Å; P371-L374 PolarHBondContact O-N 3.02Å; F372-L374 VanDerWaalsContact C-N 3.29Å; F372-L374 PolarHBondContact O-N 3.19Å; L374-M377 PolarHBondContact O-N 3.16Å; L374-L420 HydrophobicContact CD2-CD2 4.01Å; L374-P423 HydrophobicContact CD2-CB 4.14Å; L374-P423 HydrophobicContact CD2-CG 3.78Å; L374-I669 HydrophobicContact CD2-CG2 4.47Å; L374-R670 HydrophobicContact CD1-CG 3.46Å; L374-R670 VanDerWaalsContact CD1-CG 3.46Å
375V81.1Confident83.3Confident52 Ų5264.4 Ų64.432%0.31530%0.3SS..Hα-helixtrans-71.6-34.2-179.7173.60000112P371 F372 M377 E378 L618P371-V375 WeakPolarHBondContact O-CG2 3.31Å; P371-V375 PolarHBondContact O-N 3.15Å; P371-V375 VanDerWaalsContact O-N 3.11Å; F372-V375 PolarHBondContact O-N 3.2Å; V375-M377 PolarHBondContact O-N 2.88Å; V375-M377 VanDerWaalsContact O-N 3.11Å; V375-E378 VanDerWaalsContact O-CB 3.32Å; V375-E378 WeakPolarHBondContact O-CB 3.25Å; V375-E378 PolarHBondContact O-N 3.39Å; V375-L618 HydrophobicContact CG1-CD2 4.25Å
376K74.9Confident83Confident144 Ų14470 Ų7063%0.62632%0.319SS*.Hα-helixtrans-58.4-25175.1-175.9179.9175.5-1720112.7F372F372-K376 HydrophobicContact CE1-CD 4.19Å; F372-K376 HydrophobicContact CZ-CD 4.47Å; F372-K376 VanDerWaalsContact O-CB 3.31Å; F372-K376 WeakPolarHBondContact O-CB 3.26Å; F372-K376 PolarHBondContact O-N 2.88Å
377M67Low82.7Confident59 Ų5970.8 Ų70.829%0.29132%0.323SS..THydrogen-bonded Turntrans-88.4-1.9178.5-62.2-105.9-68.100113.5E373 L374 V375 C379 K419 P423E373-M377 WeakPolarHBondContact O-CG 3.46Å; L374-M377 PolarHBondContact O-N 3.16Å; V375-M377 PolarHBondContact O-N 2.88Å; V375-M377 VanDerWaalsContact O-N 3.11Å; M377-C379 PolarHBondContact O-N 3.1Å; M377-K419 HydrophobicContact CE-CB 3.89Å; M377-K419 WeakPolarHBondContact CE-O 3.22Å; M377-P423 HydrophobicContact CE-CG 4.06Å
378E62.6Low82.7Confident109 Ų10964.7 Ų64.751%0.50930%0.295SS..PPolyproline II helixtrans-62.3134.6179.4-74.9-179.8171.800111.3V375V375-E378 VanDerWaalsContact O-CB 3.32Å; V375-E378 WeakPolarHBondContact O-CB 3.25Å; V375-E378 PolarHBondContact O-N 3.39Å
379C59.8Low82.6Confident16 Ų1659.5 Ų59.511%0.10827%0.272CS..PPolyproline II helixtrans-63159.6-158.4-145.30000112.8M377 D381 M384 Q416 K626M377-C379 PolarHBondContact O-N 3.1Å; C379-D381 PolarHBondContact O-N 2.9Å; C379-M384 HydrophobicContact CB-CB 4.5Å; C379-M384 HydrophobicContact CB-CE 3.8Å; C379-Q416 PolarHBondContact SG-NE2 3.27Å; C379-K626 PolarHBondContact O-NZ 2.71Å
380D73.4Confident82.6Confident70 Ų7060.5 Ų60.537%0.37428%0.276SS..PPolyproline II helixtrans-64.3121.4156172.935.8000109K382 E383 M384D380-K382 PolarHBondContact O-N 3.42Å; D380-K382 PolarHBondContact OD1-N 3.4Å; D380-K382 WeakPolarHBondContact OD2-CB 3.3Å; D380-E383 HydrophobicContact CB-CB 3.84Å; D380-E383 PolarHBondContact O-N 2.99Å; D380-E383 WeakPolarHBondContact OD2-CB 3.3Å; D380-E383 PolarHBondContact OD2-N 3.25Å; D380-M384 PolarHBondContact O-N 3.45Å
381D78.9Confident82.4Confident66 Ų6661.3 Ų61.335%0.35328%0.283SS..Hα-helixtrans-65.2-25.6-177.1-130.550.9000111.4C379 R385 R655C379-D381 PolarHBondContact O-N 2.9Å; D381-R385 VanDerWaalsContact CG-NH1 3.3Å; D381-R385 WeakPolarHBondContact O-CG 3.42Å; D381-R385 PolarHBondContact O-N 2.68Å; D381-R385 PolarHBondContact O-NH1 2.74Å; D381-R385 IonicContact OD2-CZ 3.28Å; D381-R385 IonicContact OD2-NH1 2.68Å; D381-R385 PolarHBondContact OD2-NH1 3.26Å; D381-R385 IonicContact OD2-NH2 2.76Å; D381-R385 PolarHBondContact OD2-NH2 3.28Å; D381-R655 IonicContact OD1-NH1 2.67Å; D381-R655 IonicContact OD2-NH1 3.63Å
382K82.3Confident82.2Confident168 Ų16860.1 Ų60.173%0.7328%0.275SS*.Hα-helixtrans-80.1-44.7174.7-174.3-176.1-178.2-174.10110.7D380 R385 R386D380-K382 PolarHBondContact O-N 3.42Å; D380-K382 PolarHBondContact OD1-N 3.4Å; D380-K382 WeakPolarHBondContact OD2-CB 3.3Å; K382-R385 PolarHBondContact O-N 3.22Å; K382-R386 PolarHBondContact O-N 3.26Å
383E85.8Confident82.2Confident64 Ų6459.7 Ų59.730%0.29927%0.273SS..Hα-helixtrans-58.8-46.7171179.4161.9-118.100112.6D380 R385 R386 E387D380-E383 HydrophobicContact CB-CB 3.84Å; D380-E383 PolarHBondContact O-N 2.99Å; D380-E383 WeakPolarHBondContact OD2-CB 3.3Å; D380-E383 PolarHBondContact OD2-N 3.25Å; E383-R385 VanDerWaalsContact C-N 3.32Å; E383-R385 PolarHBondContact O-N 2.93Å; E383-R386 CarbonylContact O-C 3.59Å; E383-R386 WeakPolarHBondContact O-CA 3.42Å; E383-R386 VanDerWaalsContact O-CB 3.32Å; E383-R386 WeakPolarHBondContact O-CB 3.47Å; E383-R386 PolarHBondContact O-N 3.41Å; E383-R386 VanDerWaalsContact O-N 3.07Å; E383-R386 IonicContact OE1-CZ 3.91Å; E383-R386 IonicContact OE1-NH2 2.71Å; E383-R386 PolarHBondContact OE1-NH2 2.91Å; E383-E387 HydrophobicContact CG-CG 4.17Å; E383-E387 WeakPolarHBondContact O-CG 3.42Å; E383-E387 PolarHBondContact O-N 2.93Å
384M86.7Confident82.2Confident12 Ų1265.1 Ų65.16%0.05930%0.302CS..Hα-helixtrans-60.3-42.7-179.9-165.7-164.1-62.600111.4C379 D380 R386 E387 I388 I412 R655 V658C379-M384 HydrophobicContact CB-CB 4.5Å; C379-M384 HydrophobicContact CB-CE 3.8Å; D380-M384 PolarHBondContact O-N 3.45Å; M384-R386 VanDerWaalsContact C-N 3.34Å; M384-R386 PolarHBondContact O-N 3.4Å; M384-E387 PolarHBondContact O-N 3Å; M384-I388 HydrophobicContact CG-CD1 3.91Å; M384-I388 HydrophobicContact CG-CG1 4.42Å; M384-I388 WeakPolarHBondContact O-CB 3.41Å; M384-I388 WeakPolarHBondContact O-CD1 3.16Å; M384-I388 VanDerWaalsContact O-CG1 3.22Å; M384-I388 WeakPolarHBondContact O-CG1 3.38Å; M384-I388 PolarHBondContact O-N 3.21Å; M384-I388 HydrophobicContact SD-CD1 4.18Å; M384-I412 HydrophobicContact CG-CG2 4.3Å; M384-R655 HydrophobicContact SD-CG 4.16Å; M384-V658 HydrophobicContact CE-CG1 4.36Å; M384-V658 HydrophobicContact SD-CB 4.43Å; M384-V658 HydrophobicContact SD-CG1 3.92Å
385R89.3Confident82.2Confident79 Ų7968 Ų6830%0.29832%0.317SS..Hα-helixtrans-62.9-38.6174.8-73.4-177.4-177.886.5-6.1112.4D381 K382 E383 S389 V651 E652 R655D381-R385 VanDerWaalsContact CG-NH1 3.3Å; D381-R385 WeakPolarHBondContact O-CG 3.42Å; D381-R385 PolarHBondContact O-N 2.68Å; D381-R385 PolarHBondContact O-NH1 2.74Å; D381-R385 IonicContact OD2-CZ 3.28Å; D381-R385 IonicContact OD2-NH1 2.68Å; D381-R385 PolarHBondContact OD2-NH1 3.26Å; D381-R385 IonicContact OD2-NH2 2.76Å; D381-R385 PolarHBondContact OD2-NH2 3.28Å; K382-R385 PolarHBondContact O-N 3.22Å; E383-R385 VanDerWaalsContact C-N 3.32Å; E383-R385 PolarHBondContact O-N 2.93Å; R385-S389 WeakPolarHBondContact O-CB 3.33Å; R385-S389 PolarHBondContact O-N 3.23Å; R385-V651 HydrophobicContact CB-CG1 3.9Å; R385-V651 HydrophobicContact CG-CG1 3.91Å; R385-E652 IonicContact CZ-OE2 3.52Å; R385-E652 IonicContact NE-OE2 3.04Å; R385-E652 PolarHBondContact NE-OE2 2.67Å; R385-E652 IonicContact NH2-OE2 3.15Å; R385-E652 PolarHBondContact NH2-OE2 3.06Å; R385-E652 VanDerWaalsContact NH2-OE2 3.15Å; R385-R655 VanDerWaalsContact NH2-NE 3.15Å
386R90.1Very high82.3Confident138 Ų13867.6 Ų67.652%0.52131%0.312SS..Hα-helixtrans-61.1-47.2172.4176.1-177.572168-1.1111.4K382 E383 M384 S389 Y390K382-R386 PolarHBondContact O-N 3.26Å; E383-R386 CarbonylContact O-C 3.59Å; E383-R386 WeakPolarHBondContact O-CA 3.42Å; E383-R386 VanDerWaalsContact O-CB 3.32Å; E383-R386 WeakPolarHBondContact O-CB 3.47Å; E383-R386 PolarHBondContact O-N 3.41Å; E383-R386 VanDerWaalsContact O-N 3.07Å; E383-R386 IonicContact OE1-CZ 3.91Å; E383-R386 IonicContact OE1-NH2 2.71Å; E383-R386 PolarHBondContact OE1-NH2 2.91Å; M384-R386 VanDerWaalsContact C-N 3.34Å; M384-R386 PolarHBondContact O-N 3.4Å; R386-S389 WeakPolarHBondContact O-CB 3.45Å; R386-S389 PolarHBondContact O-N 3.31Å; R386-Y390 HydrophobicContact CG-CD2 3.84Å; R386-Y390 HydrophobicContact CG-CE2 3.51Å; R386-Y390 VanDerWaalsContact O-CD2 3.27Å; R386-Y390 WeakPolarHBondContact O-CD2 3.46Å; R386-Y390 PolarHBondContact O-N 3.36Å
387E90.2Very high82.6Confident26 Ų2663.4 Ų63.412%0.12131%0.309CS..Hα-helixtrans-64.6-44.2179.1-68.7-173.9-175.700112.6E383 M384 S389 Y390 A391 I412 K415E383-E387 HydrophobicContact CG-CG 4.17Å; E383-E387 WeakPolarHBondContact O-CG 3.42Å; E383-E387 PolarHBondContact O-N 2.93Å; M384-E387 PolarHBondContact O-N 3Å; E387-S389 VanDerWaalsContact C-N 3.3Å; E387-S389 PolarHBondContact O-N 3.02Å; E387-Y390 PolarHBondContact O-N 3.46Å; E387-A391 WeakPolarHBondContact O-CB 3.41Å; E387-A391 PolarHBondContact O-N 3.3Å; E387-I412 HydrophobicContact CB-CD1 3.68Å; E387-K415 IonicContact OE1-NZ 2.63Å; E387-K415 PolarHBondContact OE1-NZ 3.41Å; E387-K415 VanDerWaalsContact OE2-CD 3.31Å; E387-K415 WeakPolarHBondContact OE2-CD 3.25Å; E387-K415 WeakPolarHBondContact OE2-CE 3.31Å; E387-K415 IonicContact OE2-NZ 2.74Å; E387-K415 PolarHBondContact OE2-NZ 3.03Å
388I90.9Very high83.1Confident0 Ų069.1 Ų69.10%034%0.339CS..Hα-helixtrans-59.7-43.2173.7-66.1161.3000110M384 Y390 A391 I392 I412 V651 I654 R655M384-I388 HydrophobicContact CG-CD1 3.91Å; M384-I388 HydrophobicContact CG-CG1 4.42Å; M384-I388 WeakPolarHBondContact O-CB 3.41Å; M384-I388 WeakPolarHBondContact O-CD1 3.16Å; M384-I388 VanDerWaalsContact O-CG1 3.22Å; M384-I388 WeakPolarHBondContact O-CG1 3.38Å; M384-I388 PolarHBondContact O-N 3.21Å; M384-I388 HydrophobicContact SD-CD1 4.18Å; I388-Y390 PolarHBondContact O-N 2.92Å; I388-A391 PolarHBondContact O-N 2.7Å; I388-I392 HydrophobicContact CG2-CD1 3.74Å; I388-I392 HydrophobicContact CG2-CG1 4.31Å; I388-I392 WeakPolarHBondContact O-CB 3.27Å; I388-I392 VanDerWaalsContact O-CG1 3.22Å; I388-I392 WeakPolarHBondContact O-CG1 3.21Å; I388-I392 PolarHBondContact O-N 3.15Å; I388-I412 HydrophobicContact CG1-CD1 4.18Å; I388-I412 HydrophobicContact CG1-CG1 3.89Å; I388-I412 HydrophobicContact CG1-CG2 4.28Å; I388-V651 HydrophobicContact CB-CG1 4.24Å; I388-V651 HydrophobicContact CG2-CB 4.18Å; I388-V651 HydrophobicContact CG2-CG1 4.08Å; I388-V651 HydrophobicContact CG2-CG2 4.09Å; I388-I654 HydrophobicContact CD1-CG2 4.09Å; I388-I654 HydrophobicContact CG1-CG2 3.98Å; I388-I654 HydrophobicContact CG2-CB 3.82Å; I388-I654 HydrophobicContact CG2-CD1 4.12Å; I388-I654 HydrophobicContact CG2-CG2 3.72Å; I388-R655 HydrophobicContact CD1-CB 3.97Å; I388-R655 HydrophobicContact CD1-CG 4.37Å
389S89.1Confident83.7Confident5 Ų573.7 Ų73.74%0.03535%0.351CS..Hα-helixtrans-59.9-45.2176.5-166.30000112.2R385 R386 E387 K393R385-S389 WeakPolarHBondContact O-CB 3.33Å; R385-S389 PolarHBondContact O-N 3.23Å; R386-S389 WeakPolarHBondContact O-CB 3.45Å; R386-S389 PolarHBondContact O-N 3.31Å; E387-S389 VanDerWaalsContact C-N 3.3Å; E387-S389 PolarHBondContact O-N 3.02Å; S389-K393 WeakPolarHBondContact O-CB 3.48Å; S389-K393 VanDerWaalsContact O-CG 3.3Å; S389-K393 WeakPolarHBondContact O-CG 3.06Å; S389-K393 PolarHBondContact O-N 3.19Å
390Y89.9Confident84Confident133 Ų13379.7 Ų79.752%0.52239%0.388SS..Hα-helixtrans-66.1-41.7175-74.8-56000112.5R386 E387 I388 I392 K393 N394R386-Y390 HydrophobicContact CG-CD2 3.84Å; R386-Y390 HydrophobicContact CG-CE2 3.51Å; R386-Y390 VanDerWaalsContact O-CD2 3.27Å; R386-Y390 WeakPolarHBondContact O-CD2 3.46Å; R386-Y390 PolarHBondContact O-N 3.36Å; E387-Y390 PolarHBondContact O-N 3.46Å; I388-Y390 PolarHBondContact O-N 2.92Å; Y390-I392 PolarHBondContact O-N 2.85Å; Y390-K393 PolarHBondContact O-N 2.86Å; Y390-N394 VanDerWaalsContact O-CB 3.28Å; Y390-N394 WeakPolarHBondContact O-CB 3.32Å; Y390-N394 PolarHBondContact O-N 2.88Å; Y390-N394 PolarHBondContact O-ND2 3.2Å
391A90.3Very high83.7Confident17 Ų1777.5 Ų77.514%0.1438%0.382CS..Hα-helixtrans-59.1-49.2176.500000111.1E387 I388 K393 N394 I395 A408E387-A391 WeakPolarHBondContact O-CB 3.41Å; E387-A391 PolarHBondContact O-N 3.3Å; I388-A391 PolarHBondContact O-N 2.7Å; A391-K393 PolarHBondContact O-N 2.73Å; A391-N394 PolarHBondContact O-N 3.16Å; A391-I395 WeakPolarHBondContact O-CB 3.36Å; A391-I395 WeakPolarHBondContact O-CD1 3.19Å; A391-I395 VanDerWaalsContact O-CG1 3.3Å; A391-I395 WeakPolarHBondContact O-CG1 3.31Å; A391-I395 PolarHBondContact O-N 3.09Å; A391-A408 HydrophobicContact CB-CB 4Å
392I86.8Confident83.2Confident4 Ų481.7 Ų81.72%0.02140%0.403CS..Hα-helixtrans-57-48.6175.4-66.1164.8000110.8I388 Y390 H396 P405 A408 L647 K650 V651 I654I388-I392 HydrophobicContact CG2-CD1 3.74Å; I388-I392 HydrophobicContact CG2-CG1 4.31Å; I388-I392 WeakPolarHBondContact O-CB 3.27Å; I388-I392 VanDerWaalsContact O-CG1 3.22Å; I388-I392 WeakPolarHBondContact O-CG1 3.21Å; I388-I392 PolarHBondContact O-N 3.15Å; Y390-I392 PolarHBondContact O-N 2.85Å; I392-H396 PolarHBondContact O-N 3.19Å; I392-H396 PolarHBondContact O-ND1 2.67Å; I392-P405 HydrophobicContact CG1-CG 4.31Å; I392-A408 HydrophobicContact CG1-CB 4.12Å; I392-L647 HydrophobicContact CB-CD1 4.2Å; I392-L647 HydrophobicContact CD1-CD1 4.04Å; I392-L647 HydrophobicContact CG2-CD1 3.69Å; I392-K650 HydrophobicContact CD1-CB 4.1Å; I392-V651 HydrophobicContact CD1-CG2 3.79Å; I392-I654 HydrophobicContact CD1-CD1 3.82Å; I392-I654 HydrophobicContact CG1-CD1 3.82Å
393K85Confident82.7Confident75 Ų7581.9 Ų81.933%0.32640%0.404SS..Hα-helixtrans-62.5-46.2-179.8-73.8171.4-178.2173.90111.8S389 Y390 A391 H396 G397S389-K393 WeakPolarHBondContact O-CB 3.48Å; S389-K393 VanDerWaalsContact O-CG 3.3Å; S389-K393 WeakPolarHBondContact O-CG 3.06Å; S389-K393 PolarHBondContact O-N 3.19Å; Y390-K393 PolarHBondContact O-N 2.86Å; A391-K393 PolarHBondContact O-N 2.73Å; K393-H396 PolarHBondContact O-N 2.98Å; K393-G397 PolarHBondContact O-N 2.91Å
394N86.4Confident81.9Confident126 Ų12680 Ų8067%0.67440%0.397SS*.Hα-helixtrans-68-37.4-176.9-69.4-9.4000112.8Y390 A391 G397Y390-N394 VanDerWaalsContact O-CB 3.28Å; Y390-N394 WeakPolarHBondContact O-CB 3.32Å; Y390-N394 PolarHBondContact O-N 2.88Å; Y390-N394 PolarHBondContact O-ND2 3.2Å; A391-N394 PolarHBondContact O-N 3.16Å; N394-G397 PolarHBondContact O-N 2.77Å
395I86.5Confident81.3Confident65 Ų6580.1 Ų80.133%0.33340%0.399SS..Hα-helixtrans-68.7-36.9178.2-71.7158.9000111.6A391 P405 M407 A408A391-I395 WeakPolarHBondContact O-CB 3.36Å; A391-I395 WeakPolarHBondContact O-CD1 3.19Å; A391-I395 VanDerWaalsContact O-CG1 3.3Å; A391-I395 WeakPolarHBondContact O-CG1 3.31Å; A391-I395 PolarHBondContact O-N 3.09Å; I395-P405 HydrophobicContact CB-CB 4.48Å; I395-P405 HydrophobicContact CD1-CB 4.46Å; I395-P405 HydrophobicContact CG2-CB 3.75Å; I395-P405 HydrophobicContact CG2-CG 4.3Å; I395-M407 HydrophobicContact CD1-CB 3.68Å; I395-M407 HydrophobicContact CG1-CB 4.32Å; I395-A408 HydrophobicContact CD1-CB 3.71Å; I395-A408 VanDerWaalsContact CD1-N 3.31Å
396H82Confident80.9Confident44 Ų4481.9 Ų81.920%0.20441%0.414CS..Hα-helixtrans-76.7-29.4175-67.1115.9000113I392 K393 I398 R399 G401I392-H396 PolarHBondContact O-N 3.19Å; I392-H396 PolarHBondContact O-ND1 2.67Å; K393-H396 PolarHBondContact O-N 2.98Å; H396-I398 PolarHBondContact O-N 3.25Å; H396-R399 WeakPolarHBondContact CB-O 3.5Å; H396-R399 PolarHBondContact O-N 2.79Å; H396-G401 WeakPolarHBondContact CD2-CA 3.29Å; H396-G401 VanDerWaalsContact NE2-CA 3.33Å; H396-G401 WeakPolarHBondContact NE2-CA 3.43Å
397G81.5Confident80.7Confident55 Ų5580.5 Ų80.557%0.56742%0.415SS*.THydrogen-bonded Turntrans57.9-122.3178.900000111.8K393 N394 R399K393-G397 PolarHBondContact O-N 2.91Å; N394-G397 PolarHBondContact O-N 2.77Å; G397-R399 VanDerWaalsContact C-N 3.28Å; G397-R399 PolarHBondContact O-N 2.98Å
398I76.8Confident80.7Confident179 Ų17979.3 Ų79.392%0.91841%0.41SS*.THydrogen-bonded Turntrans-79.4-2.3179.664.7171.6000114.5H396H396-I398 PolarHBondContact O-N 3.25Å
399R75.8Confident80.7Confident205 Ų20580 Ų8077%0.77441%0.413SS*.SBendtrans-103.6146-175.1-61.5-179.9179.21680.2111.1H396 G397H396-R399 WeakPolarHBondContact CB-O 3.5Å; H396-R399 PolarHBondContact O-N 2.79Å; G397-R399 VanDerWaalsContact C-N 3.28Å; G397-R399 PolarHBondContact O-N 2.98Å
400T67.5Low80.8Confident142 Ų14283.6 Ų83.687%0.87143%0.429SS*.  trans-78.9121.516941.10000110.4
401G66.5Low80.9Confident24 Ų2479.7 Ų79.725%0.24742%0.424CS..  trans-82.4114.1-173.300000114.4H396 K650H396-G401 WeakPolarHBondContact CD2-CA 3.29Å; H396-G401 VanDerWaalsContact NE2-CA 3.33Å; H396-G401 WeakPolarHBondContact NE2-CA 3.43Å; G401-K650 PolarHBondContact O-NZ 3.26Å
402L68.8Low81Confident155 Ų15579.2 Ų79.281%0.81242%0.419SS*.SBendtrans-69.5-41.6175.1-65.6174.3000112.3K650L402-K650 PolarHBondContact O-NZ 3.35Å
403F70.9Confident81.3Confident171 Ų17179 Ų7975%0.7542%0.418SS*.SBendtrans-101.3178-176.5-61.2-74.9000112.9K650F403-K650 PolarHBondContact O-NZ 3.12Å
404T69.6Low81.8Confident25 Ų2578.7 Ų78.715%0.15342%0.417CS..  trans-95119.8169.5-55.40000108D406 F496 K650 I654T404-D406 PolarHBondContact O-N 3.36Å; T404-F496 HydrophobicContact CG2-CE1 4.26Å; T404-F496 HydrophobicContact CG2-CZ 3.75Å; T404-K650 HydrophobicContact CG2-CB 4.35Å; T404-K650 WeakPolarHBondContact OG1-CG 3.23Å; T404-I654 HydrophobicContact CG2-CD1 3.48Å; T404-I654 VanDerWaalsContact CG2-CD1 3.48Å; T404-I654 HydrophobicContact CG2-CG1 3.69Å
405P74.3Confident82.1Confident14 Ų1477.2 Ų77.29%0.09140%0.404CS..  trans-72.4125.3-173.925.4-32.1000111.6I392 I395 M407 A408I392-P405 HydrophobicContact CG1-CG 4.31Å; I395-P405 HydrophobicContact CB-CB 4.48Å; I395-P405 HydrophobicContact CD1-CB 4.46Å; I395-P405 HydrophobicContact CG2-CB 3.75Å; I395-P405 HydrophobicContact CG2-CG 4.3Å; P405-M407 VanDerWaalsContact C-N 3.33Å; P405-A408 HydrophobicContact CB-CB 4.45Å; P405-A408 HydrophobicContact CG-CB 3.92Å; P405-A408 WeakPolarHBondContact O-CB 3.33Å; P405-A408 PolarHBondContact O-N 3.18Å
406D80.7Confident82.2Confident116 Ų11674.7 Ų74.762%0.6239%0.391SS*.Hα-helixtrans-58.8-41.1170.855.3-14.8000112.3T404 A408 F409 E410T404-D406 PolarHBondContact O-N 3.36Å; D406-A408 PolarHBondContact O-N 2.92Å; D406-A408 VanDerWaalsContact O-N 3.09Å; D406-F409 WeakPolarHBondContact O-CB 3.41Å; D406-F409 PolarHBondContact O-N 2.87Å; D406-E410 PolarHBondContact O-N 3.27Å
407M86Confident82.8Confident110 Ų11072.6 Ų72.654%0.54238%0.382SS..Hα-helixtrans-55.4-27.4174.6-66.7-175.273.100113.4I395 P405 A411I395-M407 HydrophobicContact CD1-CB 3.68Å; I395-M407 HydrophobicContact CG1-CB 4.32Å; P405-M407 VanDerWaalsContact C-N 3.33Å; M407-A411 WeakPolarHBondContact O-CB 3.41Å; M407-A411 PolarHBondContact O-N 2.87Å
408A89.3Confident83.4Confident0 Ų073.5 Ų73.50%038%0.376CS..Hα-helixtrans-74.5-39.5176.800000111.5A391 I392 I395 P405 D406 I412 I654A391-A408 HydrophobicContact CB-CB 4Å; I392-A408 HydrophobicContact CG1-CB 4.12Å; I395-A408 HydrophobicContact CD1-CB 3.71Å; I395-A408 VanDerWaalsContact CD1-N 3.31Å; P405-A408 HydrophobicContact CB-CB 4.45Å; P405-A408 HydrophobicContact CG-CB 3.92Å; P405-A408 WeakPolarHBondContact O-CB 3.33Å; P405-A408 PolarHBondContact O-N 3.18Å; D406-A408 PolarHBondContact O-N 2.92Å; D406-A408 VanDerWaalsContact O-N 3.09Å; A408-I412 WeakPolarHBondContact O-CG1 3.18Å; A408-I412 PolarHBondContact O-N 3.49Å; A408-I654 HydrophobicContact CB-CD1 3.85Å
409F91.3Very high84.1Confident16 Ų1668.2 Ų68.27%0.0735%0.346CS..Hα-helixtrans-63.7-48.2171.8161.1-107.3000110.6D406 A411 I412 V413 I486 T488 F493 I654 L657 V658 Y661D406-F409 WeakPolarHBondContact O-CB 3.41Å; D406-F409 PolarHBondContact O-N 2.87Å; F409-A411 PolarHBondContact O-N 3.16Å; F409-I412 PolarHBondContact O-N 3.1Å; F409-V413 HydrophobicContact CD2-CG2 3.81Å; F409-V413 HydrophobicContact CE2-CG2 3.42Å; F409-V413 VanDerWaalsContact CE2-CG2 3.42Å; F409-V413 HydrophobicContact CZ-CG2 3.87Å; F409-V413 WeakPolarHBondContact O-CB 3.43Å; F409-V413 WeakPolarHBondContact O-CG2 3.3Å; F409-V413 PolarHBondContact O-N 2.75Å; F409-I486 HydrophobicContact CE1-CG2 3.75Å; F409-I486 HydrophobicContact CZ-CG2 4.05Å; F409-T488 HydrophobicContact CE1-CG2 4.05Å; F409-F493 HydrophobicContact CE1-CZ 4.4Å; F409-F493 HydrophobicContact CE2-CE2 4.34Å; F409-F493 HydrophobicContact CE2-CZ 4.35Å; F409-F493 AromaticContact CZ-CE2 3.99Å; F409-F493 HydrophobicContact CZ-CE2 3.99Å; F409-F493 AromaticContact CZ-CZ 3.83Å; F409-F493 HydrophobicContact CZ-CZ 3.83Å; F409-I654 HydrophobicContact CB-CG2 4.23Å; F409-L657 HydrophobicContact CD2-CB 3.73Å; F409-L657 HydrophobicContact CE2-CB 3.77Å; F409-L657 WeakPolarHBondContact CE2-O 3.28Å; F409-V658 HydrophobicContact CD2-CG2 3.92Å; F409-V658 HydrophobicContact CE2-CG2 4.44Å; F409-Y661 HydrophobicContact CZ-CD2 4.41Å; F409-Y661 HydrophobicContact CZ-CG 4.19Å
410E91.6Very high85Confident79 Ų7958.9 Ų58.937%0.36931%0.311SS..Hα-helixtrans-59.2-47.7178.4171.6173.3-172.500112.6D406 I412 V413 K414 I486D406-E410 PolarHBondContact O-N 3.27Å; E410-I412 VanDerWaalsContact C-N 3.33Å; E410-I412 PolarHBondContact O-N 3.42Å; E410-V413 PolarHBondContact O-N 3.23Å; E410-K414 HydrophobicContact CG-CD 3.89Å; E410-K414 HydrophobicContact CG-CG 4.46Å; E410-K414 WeakPolarHBondContact O-CB 3.25Å; E410-K414 WeakPolarHBondContact O-CG 3.39Å; E410-K414 PolarHBondContact O-N 3.08Å; E410-K414 VanDerWaalsContact OE1-CE 3.27Å; E410-K414 WeakPolarHBondContact OE1-CE 3.46Å; E410-K414 IonicContact OE1-NZ 2.64Å; E410-K414 PolarHBondContact OE1-NZ 3.11Å; E410-I486 HydrophobicContact CB-CD1 3.97Å; E410-I486 HydrophobicContact CG-CD1 3.79Å
411A91.9Very high86.3Confident51 Ų5154.7 Ų54.742%0.42128%0.281SS..Hα-helixtrans-61.1-41.6-179.700000112.3M407 F409 K415M407-A411 WeakPolarHBondContact O-CB 3.41Å; M407-A411 PolarHBondContact O-N 2.87Å; F409-A411 PolarHBondContact O-N 3.16Å; A411-K415 WeakPolarHBondContact O-CB 3.23Å; A411-K415 PolarHBondContact O-N 2.88Å
412I92.6Very high87.6Confident7 Ų760.1 Ų60.14%0.03630%0.3CS..Hα-helixtrans-72.2-44.3179.8-62.1-71.3000110.7M384 E387 I388 A408 F409 E410 K414 K415 Q416 V658M384-I412 HydrophobicContact CG-CG2 4.3Å; E387-I412 HydrophobicContact CB-CD1 3.68Å; I388-I412 HydrophobicContact CG1-CD1 4.18Å; I388-I412 HydrophobicContact CG1-CG1 3.89Å; I388-I412 HydrophobicContact CG1-CG2 4.28Å; A408-I412 WeakPolarHBondContact O-CG1 3.18Å; A408-I412 PolarHBondContact O-N 3.49Å; F409-I412 PolarHBondContact O-N 3.1Å; E410-I412 VanDerWaalsContact C-N 3.33Å; E410-I412 PolarHBondContact O-N 3.42Å; I412-K414 PolarHBondContact O-N 3.37Å; I412-K415 PolarHBondContact O-N 3.26Å; I412-Q416 WeakPolarHBondContact O-CG 3.36Å; I412-Q416 PolarHBondContact O-N 3.49Å; I412-V658 HydrophobicContact CB-CG2 4.12Å; I412-V658 HydrophobicContact CG2-CG1 4.02Å; I412-V658 HydrophobicContact CG2-CG2 3.73Å
413V93.3Very high88.8Confident1 Ų152.9 Ų52.91%0.00626%0.263CS..Hα-helixtrans-56.6-51.8174167.10000110.6F409 E410 K415 Q416 V417 I486 V658 Y661F409-V413 HydrophobicContact CD2-CG2 3.81Å; F409-V413 HydrophobicContact CE2-CG2 3.42Å; F409-V413 VanDerWaalsContact CE2-CG2 3.42Å; F409-V413 HydrophobicContact CZ-CG2 3.87Å; F409-V413 WeakPolarHBondContact O-CB 3.43Å; F409-V413 WeakPolarHBondContact O-CG2 3.3Å; F409-V413 PolarHBondContact O-N 2.75Å; E410-V413 PolarHBondContact O-N 3.23Å; V413-K415 VanDerWaalsContact C-N 3.28Å; V413-K415 PolarHBondContact O-N 3.48Å; V413-Q416 PolarHBondContact O-N 2.95Å; V413-Q416 VanDerWaalsContact O-N 3.1Å; V413-V417 HydrophobicContact CG1-CG2 4.13Å; V413-V417 WeakPolarHBondContact O-CG2 3.4Å; V413-V417 PolarHBondContact O-N 2.95Å; V413-I486 HydrophobicContact CB-CD1 3.92Å; V413-I486 HydrophobicContact CG1-CD1 3.72Å; V413-I486 HydrophobicContact CG1-CG1 4.25Å; V413-V658 HydrophobicContact CG2-CG2 4.17Å; V413-Y661 HydrophobicContact CG1-CD1 3.5Å; V413-Y661 VanDerWaalsContact CG1-CD1 3.5Å; V413-Y661 HydrophobicContact CG1-CE1 3.83Å; V413-Y661 HydrophobicContact CG1-CG 4.5Å; V413-Y661 HydrophobicContact CG2-CD1 4.24Å
414K94.4Very high90Very high68 Ų6844.8 Ų44.830%0.29623%0.227SC..Hα-helixtrans-56.4-42.9178.2-76.6177.6171.7-178.10111.7E410 I412 Q416 V417 V418 L483 I486E410-K414 HydrophobicContact CG-CD 3.89Å; E410-K414 HydrophobicContact CG-CG 4.46Å; E410-K414 WeakPolarHBondContact O-CB 3.25Å; E410-K414 WeakPolarHBondContact O-CG 3.39Å; E410-K414 PolarHBondContact O-N 3.08Å; E410-K414 VanDerWaalsContact OE1-CE 3.27Å; E410-K414 WeakPolarHBondContact OE1-CE 3.46Å; E410-K414 IonicContact OE1-NZ 2.64Å; E410-K414 PolarHBondContact OE1-NZ 3.11Å; I412-K414 PolarHBondContact O-N 3.37Å; K414-Q416 PolarHBondContact O-N 3.4Å; K414-V417 PolarHBondContact O-N 2.71Å; K414-V418 WeakPolarHBondContact O-CG2 3.26Å; K414-V418 PolarHBondContact O-N 2.83Å; K414-L483 HydrophobicContact CB-CD2 4.01Å; K414-L483 WeakPolarHBondContact CE-O 3.39Å; K414-L483 HydrophobicContact CG-CD2 4.11Å; K414-L483 VanDerWaalsContact O-CD2 3.27Å; K414-L483 WeakPolarHBondContact O-CD2 3.24Å; K414-I486 HydrophobicContact CG-CD1 4.45Å
415K92.1Very high91.3Very high94 Ų9445.3 Ų45.341%0.40923%0.229SC..Hα-helixtrans-62.1-39.8177.2-168.6-177.1178.9-171.40113E387 A411 I412 V413E387-K415 IonicContact OE1-NZ 2.63Å; E387-K415 PolarHBondContact OE1-NZ 3.41Å; E387-K415 VanDerWaalsContact OE2-CD 3.31Å; E387-K415 WeakPolarHBondContact OE2-CD 3.25Å; E387-K415 WeakPolarHBondContact OE2-CE 3.31Å; E387-K415 IonicContact OE2-NZ 2.74Å; E387-K415 PolarHBondContact OE2-NZ 3.03Å; A411-K415 WeakPolarHBondContact O-CB 3.23Å; A411-K415 PolarHBondContact O-N 2.88Å; I412-K415 PolarHBondContact O-N 3.26Å; V413-K415 VanDerWaalsContact C-N 3.28Å; V413-K415 PolarHBondContact O-N 3.48Å
416Q90.6Very high92.3Very high13 Ų1348.2 Ų48.26%0.06124%0.24CC..Hα-helixtrans-73.7-39.3176.9-57.2-59.30.400112.1C379 I412 V413 K414 V418 K419 M662C379-Q416 PolarHBondContact SG-NE2 3.27Å; I412-Q416 WeakPolarHBondContact O-CG 3.36Å; I412-Q416 PolarHBondContact O-N 3.49Å; V413-Q416 PolarHBondContact O-N 2.95Å; V413-Q416 VanDerWaalsContact O-N 3.1Å; K414-Q416 PolarHBondContact O-N 3.4Å; Q416-V418 VanDerWaalsContact C-N 3.34Å; Q416-V418 PolarHBondContact O-N 2.77Å; Q416-K419 WeakPolarHBondContact O-CB 3.23Å; Q416-K419 PolarHBondContact O-N 3.22Å; Q416-K419 VanDerWaalsContact O-N 3.14Å; Q416-M662 HydrophobicContact CB-CE 3.81Å; Q416-M662 HydrophobicContact CB-CG 4.31Å; Q416-M662 HydrophobicContact CB-SD 3.74Å
417V93.8Very high93.1Very high0 Ų042.7 Ų42.70%021%0.21CC..Hα-helixtrans-63.4-37177.81740000111.9V413 K414 K419 L420 I479 Q482 L483 M662 V665V413-V417 HydrophobicContact CG1-CG2 4.13Å; V413-V417 WeakPolarHBondContact O-CG2 3.4Å; V413-V417 PolarHBondContact O-N 2.95Å; K414-V417 PolarHBondContact O-N 2.71Å; V417-K419 PolarHBondContact O-N 3.48Å; V417-L420 VanDerWaalsContact O-CB 3.31Å; V417-L420 WeakPolarHBondContact O-CB 3.41Å; V417-L420 WeakPolarHBondContact O-CG 3.49Å; V417-L420 PolarHBondContact O-N 2.85Å; V417-I479 HydrophobicContact CG1-CG2 3.97Å; V417-I479 WeakPolarHBondContact O-CG2 3.12Å; V417-Q482 HydrophobicContact CG1-CB 3.79Å; V417-L483 HydrophobicContact CB-CD2 3.62Å; V417-L483 HydrophobicContact CB-CG 4.39Å; V417-L483 HydrophobicContact CG1-CD2 3.59Å; V417-L483 HydrophobicContact CG1-CG 3.79Å; V417-M662 HydrophobicContact CG2-CE 4.15Å; V417-M662 HydrophobicContact CG2-SD 3.67Å; V417-V665 HydrophobicContact CG2-CG1 4.19Å; V417-V665 HydrophobicContact CG2-CG2 4.32Å
418V94.3Very high93.7Very high73 Ų7337.4 Ų37.444%0.44218%0.184SC..Hα-helixtrans-56.1-38.4173.6167.20000112K414 Q416 L420 K421 L483K414-V418 WeakPolarHBondContact O-CG2 3.26Å; K414-V418 PolarHBondContact O-N 2.83Å; Q416-V418 VanDerWaalsContact C-N 3.34Å; Q416-V418 PolarHBondContact O-N 2.77Å; V418-L420 PolarHBondContact O-N 2.88Å; V418-K421 WeakPolarHBondContact O-CG 3.23Å; V418-K421 PolarHBondContact O-N 3.35Å; V418-L483 HydrophobicContact CG2-CD1 3.59Å; V418-L483 HydrophobicContact CG2-CD2 3.91Å; V418-L483 HydrophobicContact CG2-CG 4.43Å
419K91.6Very high94Very high68 Ų6839.9 Ų39.930%0.29620%0.197SC..Hα-helixtrans-62.1-27.2179.6-61.6178.8-178.4171.50112.3M377 Q416 V417 K421 E422 P423M377-K419 HydrophobicContact CE-CB 3.89Å; M377-K419 WeakPolarHBondContact CE-O 3.22Å; Q416-K419 WeakPolarHBondContact O-CB 3.23Å; Q416-K419 PolarHBondContact O-N 3.22Å; Q416-K419 VanDerWaalsContact O-N 3.14Å; V417-K419 PolarHBondContact O-N 3.48Å; K419-K421 PolarHBondContact O-N 3.48Å; K419-K421 VanDerWaalsContact O-N 3.1Å; K419-E422 PolarHBondContact O-N 3.17Å; K419-P423 WeakPolarHBondContact O-CD 3.42Å
420L93.3Very high94.3Very high9 Ų940.9 Ų40.95%0.04720%0.203CC..THydrogen-bonded Turntrans-64.1-16-179.4-54.9-179.5000113.5L374 V417 V418 E422 P423 C424 I479 M662 V665 I669L374-L420 HydrophobicContact CD2-CD2 4.01Å; V417-L420 VanDerWaalsContact O-CB 3.31Å; V417-L420 WeakPolarHBondContact O-CB 3.41Å; V417-L420 WeakPolarHBondContact O-CG 3.49Å; V417-L420 PolarHBondContact O-N 2.85Å; V418-L420 PolarHBondContact O-N 2.88Å; L420-E422 PolarHBondContact O-N 2.91Å; L420-P423 WeakPolarHBondContact O-CD 3.34Å; L420-P423 WeakPolarHBondContact O-CG 3.26Å; L420-C424 WeakPolarHBondContact O-CB 3.45Å; L420-C424 PolarHBondContact O-N 2.86Å; L420-C424 PolarHBondContact O-SG 2.87Å; L420-I479 HydrophobicContact CB-CD1 4.17Å; L420-M662 HydrophobicContact CD1-CE 4.19Å; L420-V665 HydrophobicContact CD1-CG1 3.69Å; L420-I669 HydrophobicContact CD1-CG1 4.34Å
421K95.1Very high94.6Very high55 Ų5537.1 Ų37.124%0.23919%0.185CC..Hα-helixtrans-57.5-47.1178.1-68.8-172.6172.7-157.50112.5V418 K419 C424 I425 L476 I479 D480V418-K421 WeakPolarHBondContact O-CG 3.23Å; V418-K421 PolarHBondContact O-N 3.35Å; K419-K421 PolarHBondContact O-N 3.48Å; K419-K421 VanDerWaalsContact O-N 3.1Å; K421-C424 PolarHBondContact O-N 3.39Å; K421-I425 WeakPolarHBondContact O-CG1 3.5Å; K421-I425 PolarHBondContact O-N 3.41Å; K421-L476 HydrophobicContact CB-CD2 3.96Å; K421-L476 HydrophobicContact CD-CD2 3.88Å; K421-L476 HydrophobicContact CG-CD2 3.94Å; K421-I479 HydrophobicContact CG-CB 4.03Å; K421-I479 HydrophobicContact CG-CG1 4.2Å; K421-I479 HydrophobicContact CG-CG2 3.74Å; K421-D480 VanDerWaalsContact CE-OD1 3.24Å; K421-D480 WeakPolarHBondContact CE-OD1 3.3Å; K421-D480 IonicContact NZ-OD1 2.93Å; K421-D480 PolarHBondContact NZ-OD1 2.97Å; K421-D480 IonicContact NZ-OD2 3.8Å; K421-D480 PolarHBondContact NZ-OD2 2.98Å
422E93.9Very high94.7Very high137 Ų13734.9 Ų34.964%0.6417%0.166SC*.Hα-helixtrans-61.4-54.9-176.5-174.6-178.3166.600114K419 L420 C424 I425 K426K419-E422 PolarHBondContact O-N 3.17Å; L420-E422 PolarHBondContact O-N 2.91Å; E422-C424 PolarHBondContact O-N 3.02Å; E422-I425 PolarHBondContact O-N 3.29Å; E422-K426 WeakPolarHBondContact O-CB 3.48Å; E422-K426 PolarHBondContact O-N 3.45Å
423P94.5Very high94.9Very high4 Ų440.5 Ų40.53%0.02619%0.192CC..Hα-helixtrans-65.3-27.5179.725.1-35.3000112.6E373 L374 M377 K419 L420 C427E373-P423 HydrophobicContact CB-CB 4.03Å; L374-P423 HydrophobicContact CD2-CB 4.14Å; L374-P423 HydrophobicContact CD2-CG 3.78Å; M377-P423 HydrophobicContact CE-CG 4.06Å; K419-P423 WeakPolarHBondContact O-CD 3.42Å; L420-P423 WeakPolarHBondContact O-CD 3.34Å; L420-P423 WeakPolarHBondContact O-CG 3.26Å; P423-C427 WeakPolarHBondContact O-CB 3.37Å; P423-C427 PolarHBondContact O-N 2.67Å
424C96.4Very high95Very high0 Ų041.1 Ų41.10%020%0.195CC..Hα-helixtrans-69.6-45174-63.30000111.6F370 L420 K421 E422 C427 V428 V475 I673F370-C424 HydrophobicContact CE2-CB 4.45Å; L420-C424 WeakPolarHBondContact O-CB 3.45Å; L420-C424 PolarHBondContact O-N 2.86Å; L420-C424 PolarHBondContact O-SG 2.87Å; K421-C424 PolarHBondContact O-N 3.39Å; E422-C424 PolarHBondContact O-N 3.02Å; C424-C427 WeakPolarHBondContact O-CB 3.43Å; C424-C427 PolarHBondContact O-N 2.79Å; C424-V428 WeakPolarHBondContact O-CG2 3.37Å; C424-V428 PolarHBondContact O-N 2.84Å; C424-V475 HydrophobicContact CB-CG1 3.51Å; C424-I673 HydrophobicContact CB-CD1 4.2Å; C424-I673 HydrophobicContact CB-CG1 4.43Å
425I96.8Very high95.1Very high37 Ų3737.9 Ų37.919%0.1918%0.181CC..Hα-helixtrans-61.6-44.8173.6-67.8-65.9000111.1K421 E422 C427 V428 D429 K472 V475 L476K421-I425 WeakPolarHBondContact O-CG1 3.5Å; K421-I425 PolarHBondContact O-N 3.41Å; E422-I425 PolarHBondContact O-N 3.29Å; I425-C427 VanDerWaalsContact C-N 3.25Å; I425-C427 PolarHBondContact O-N 3.28Å; I425-V428 WeakPolarHBondContact O-CA 3.48Å; I425-V428 VanDerWaalsContact O-CB 3.31Å; I425-V428 WeakPolarHBondContact O-CB 3.12Å; I425-V428 PolarHBondContact O-N 2.76Å; I425-D429 PolarHBondContact O-N 3.37Å; I425-K472 HydrophobicContact CD1-CB 3.7Å; I425-K472 HydrophobicContact CD1-CD 4.3Å; I425-K472 HydrophobicContact CD1-CG 3.7Å; I425-K472 HydrophobicContact CG2-CD 4.45Å; I425-V475 HydrophobicContact CD1-CG1 4.42Å; I425-L476 HydrophobicContact CD1-CD1 4.28Å; I425-L476 HydrophobicContact CD1-CD2 4.1Å; I425-L476 HydrophobicContact CD1-CG 3.98Å; I425-L476 HydrophobicContact CG1-CD2 4.09Å
426K95.8Very high95.2Very high74 Ų7434.2 Ų34.232%0.32217%0.166SC..Hα-helixtrans-59.6-34.5176.5-170.1-180-177.1177.40112.8E373 E422 D429 M430E373-K426 WeakPolarHBondContact OE1-CE 3.37Å; E373-K426 IonicContact OE1-NZ 3.33Å; E373-K426 PolarHBondContact OE1-NZ 2.89Å; E373-K426 IonicContact OE2-NZ 2.75Å; E373-K426 PolarHBondContact OE2-NZ 3.5Å; E422-K426 WeakPolarHBondContact O-CB 3.48Å; E422-K426 PolarHBondContact O-N 3.45Å; K426-D429 PolarHBondContact O-N 2.9Å; K426-M430 HydrophobicContact CG-CE 4.31Å; K426-M430 WeakPolarHBondContact O-CE 3.4Å; K426-M430 WeakPolarHBondContact O-CG 3.33Å; K426-M430 PolarHBondContact O-N 2.68Å
427C97Very high95.4Very high0 Ų036.7 Ų36.70%018%0.179CC..Hα-helixtrans-62.5-45172.5-171.80000111.6F370 P423 C424 I425 D429 M430 V431F370-C427 HydrophobicContact CB-CB 4.33Å; F370-C427 HydrophobicContact CD2-CB 3.59Å; F370-C427 HydrophobicContact CE2-CB 4.04Å; F370-C427 HydrophobicContact CG-CB 4.01Å; P423-C427 WeakPolarHBondContact O-CB 3.37Å; P423-C427 PolarHBondContact O-N 2.67Å; C424-C427 WeakPolarHBondContact O-CB 3.43Å; C424-C427 PolarHBondContact O-N 2.79Å; I425-C427 VanDerWaalsContact C-N 3.25Å; I425-C427 PolarHBondContact O-N 3.28Å; C427-D429 PolarHBondContact O-N 3.17Å; C427-M430 PolarHBondContact O-N 2.99Å; C427-V431 WeakPolarHBondContact O-CG2 3.33Å; C427-V431 PolarHBondContact O-N 3.09Å
428V97.7Very high95.4Very high0 Ų036.7 Ų36.70%018%0.179CC..Hα-helixtrans-59-47.1174.2-174.40000110.5C424 I425 M430 V431 I432 A471 K472 V475 I677 M681C424-V428 WeakPolarHBondContact O-CG2 3.37Å; C424-V428 PolarHBondContact O-N 2.84Å; I425-V428 WeakPolarHBondContact O-CA 3.48Å; I425-V428 VanDerWaalsContact O-CB 3.31Å; I425-V428 WeakPolarHBondContact O-CB 3.12Å; I425-V428 PolarHBondContact O-N 2.76Å; V428-M430 PolarHBondContact O-N 3.25Å; V428-V431 PolarHBondContact O-N 2.89Å; V428-I432 HydrophobicContact CG1-CD1 3.76Å; V428-I432 HydrophobicContact CG1-CG1 4.47Å; V428-I432 WeakPolarHBondContact O-CD1 3.32Å; V428-I432 WeakPolarHBondContact O-CG1 3.44Å; V428-I432 PolarHBondContact O-N 3.13Å; V428-A471 HydrophobicContact CG1-CB 4.17Å; V428-K472 HydrophobicContact CB-CG 4.37Å; V428-K472 HydrophobicContact CG1-CG 4Å; V428-V475 HydrophobicContact CG2-CG2 4Å; V428-I677 HydrophobicContact CB-CD1 4.43Å; V428-I677 HydrophobicContact CG2-CD1 3.77Å; V428-I677 HydrophobicContact CG2-CG1 3.97Å; V428-M681 HydrophobicContact CG1-CE 3.6Å
429D96.9Very high95.4Very high51 Ų5133.2 Ų33.227%0.27316%0.158SC..Hα-helixtrans-58.9-45179.5-69.4-39000113.2I425 K426 C427 V431 I432 Q433 K472I425-D429 PolarHBondContact O-N 3.37Å; K426-D429 PolarHBondContact O-N 2.9Å; C427-D429 PolarHBondContact O-N 3.17Å; D429-V431 VanDerWaalsContact C-N 3.33Å; D429-V431 PolarHBondContact O-N 3.05Å; D429-I432 PolarHBondContact O-N 3.12Å; D429-Q433 WeakPolarHBondContact O-CG 3.45Å; D429-Q433 PolarHBondContact O-N 3.35Å; D429-Q433 VanDerWaalsContact O-N 3.1Å; D429-K472 WeakPolarHBondContact OD1-CE 3.04Å; D429-K472 IonicContact OD1-NZ 3.98Å; D429-K472 PolarHBondContact OD1-NZ 3.38Å; D429-K472 IonicContact OD2-NZ 2.85Å
430M96.6Very high95.5Very high37 Ų3736.2 Ų36.218%0.18217%0.168CC..Hα-helixtrans-63.6-37.5178.6-71-177.5-66.500112.1I365 R369 K426 C427 V428 E434I365-M430 HydrophobicContact CD1-CB 3.93Å; I365-M430 HydrophobicContact CG1-CB 4.21Å; I365-M430 HydrophobicContact CG2-CB 4.01Å; I365-M430 HydrophobicContact CG2-CE 4.13Å; R369-M430 HydrophobicContact CG-CE 3.9Å; R369-M430 HydrophobicContact CG-SD 3.83Å; K426-M430 HydrophobicContact CG-CE 4.31Å; K426-M430 WeakPolarHBondContact O-CE 3.4Å; K426-M430 WeakPolarHBondContact O-CG 3.33Å; K426-M430 PolarHBondContact O-N 2.68Å; C427-M430 PolarHBondContact O-N 2.99Å; V428-M430 PolarHBondContact O-N 3.25Å; M430-E434 PolarHBondContact O-N 3.01Å
431V97.3Very high95.3Very high0 Ų038.7 Ų38.70%018%0.179CC..Hα-helixtrans-69.9-40176.6174.70000111.6I362 I365 F366 C427 V428 D429 Q433 E434 L435 I677 M681 I682I362-V431 HydrophobicContact CD1-CG1 4.45Å; I362-V431 HydrophobicContact CG1-CG1 4.44Å; I362-V431 HydrophobicContact CG2-CG1 4.49Å; I362-V431 HydrophobicContact CG2-CG2 4.45Å; I365-V431 HydrophobicContact CB-CG2 4.49Å; I365-V431 HydrophobicContact CD1-CG2 4.43Å; I365-V431 HydrophobicContact CG2-CG2 3.9Å; F366-V431 HydrophobicContact CD1-CG2 4.38Å; F366-V431 HydrophobicContact CE1-CG2 3.63Å; F366-V431 HydrophobicContact CZ-CG2 3.98Å; C427-V431 WeakPolarHBondContact O-CG2 3.33Å; C427-V431 PolarHBondContact O-N 3.09Å; V428-V431 PolarHBondContact O-N 2.89Å; D429-V431 VanDerWaalsContact C-N 3.33Å; D429-V431 PolarHBondContact O-N 3.05Å; V431-Q433 VanDerWaalsContact C-N 3.31Å; V431-Q433 PolarHBondContact O-N 3.3Å; V431-E434 PolarHBondContact O-N 2.89Å; V431-L435 HydrophobicContact CG1-CD1 4.11Å; V431-L435 HydrophobicContact CG1-CG 4.3Å; V431-L435 WeakPolarHBondContact O-CG 3.44Å; V431-L435 PolarHBondContact O-N 2.81Å; V431-I677 HydrophobicContact CB-CG2 4.12Å; V431-I677 HydrophobicContact CG1-CG2 3.75Å; V431-I677 HydrophobicContact CG2-CG2 4.25Å; V431-M681 HydrophobicContact CG1-SD 4.4Å; V431-I682 HydrophobicContact CG1-CD1 3.95Å; V431-I682 HydrophobicContact CG1-CG1 4.23Å
432I96Very high95.2Very high5 Ų536.2 Ų36.23%0.02617%0.168CC..Hα-helixtrans-59.3-44.1176.1-69.2156.6000111V428 D429 E434 L435 I436 I464 E468 M681V428-I432 HydrophobicContact CG1-CD1 3.76Å; V428-I432 HydrophobicContact CG1-CG1 4.47Å; V428-I432 WeakPolarHBondContact O-CD1 3.32Å; V428-I432 WeakPolarHBondContact O-CG1 3.44Å; V428-I432 PolarHBondContact O-N 3.13Å; D429-I432 PolarHBondContact O-N 3.12Å; I432-E434 VanDerWaalsContact C-N 3.34Å; I432-E434 PolarHBondContact O-N 2.86Å; I432-L435 PolarHBondContact O-N 2.78Å; I432-I436 HydrophobicContact CG2-CD1 3.74Å; I432-I436 HydrophobicContact CG2-CG1 4.43Å; I432-I436 WeakPolarHBondContact O-CG1 3.27Å; I432-I436 PolarHBondContact O-N 3.15Å; I432-I464 HydrophobicContact CG2-CG2 3.94Å; I432-E468 HydrophobicContact CD1-CB 3.47Å; I432-E468 VanDerWaalsContact CD1-CB 3.47Å; I432-E468 HydrophobicContact CD1-CG 3.37Å; I432-E468 HydrophobicContact CG1-CB 4.25Å; I432-M681 HydrophobicContact CD1-CE 3.93Å; I432-M681 HydrophobicContact CD1-SD 4.45Å; I432-M681 HydrophobicContact CG1-CE 3.64Å; I432-M681 HydrophobicContact CG1-SD 3.52Å; I432-M681 VanDerWaalsContact CG1-SD 3.52Å
433Q95.5Very high95.1Very high124 Ų12429.7 Ų29.758%0.57914%0.138SC*.Hα-helixtrans-59.3-45.2177.5-71.5176.33.200111.5D429 V431 I436 N437D429-Q433 WeakPolarHBondContact O-CG 3.45Å; D429-Q433 PolarHBondContact O-N 3.35Å; D429-Q433 VanDerWaalsContact O-N 3.1Å; V431-Q433 VanDerWaalsContact C-N 3.31Å; V431-Q433 PolarHBondContact O-N 3.3Å; Q433-I436 PolarHBondContact O-N 3.39Å; Q433-N437 WeakPolarHBondContact O-CB 3.4Å; Q433-N437 PolarHBondContact O-N 3.45Å; Q433-N437 PolarHBondContact O-ND2 3.41Å
434E95.2Very high94.8Very high14 Ų1433.3 Ų33.37%0.06516%0.157CC..Hα-helixtrans-70.1-33.9179-170.557.9-164.800113.1G358 K361 I362 M430 V431 I432 N437 T438G358-E434 WeakPolarHBondContact CA-OE1 3.36Å; G358-E434 PolarHBondContact N-OE1 3.03Å; K361-E434 HydrophobicContact CB-CG 3.77Å; K361-E434 VanDerWaalsContact CD-CD 3.44Å; K361-E434 HydrophobicContact CD-CG 4.48Å; K361-E434 VanDerWaalsContact CD-OE1 3.22Å; K361-E434 WeakPolarHBondContact CD-OE1 3.33Å; K361-E434 WeakPolarHBondContact CD-OE2 3.31Å; I362-E434 HydrophobicContact CG1-CB 4.22Å; I362-E434 HydrophobicContact CG1-CG 3.99Å; M430-E434 PolarHBondContact O-N 3.01Å; V431-E434 PolarHBondContact O-N 2.89Å; I432-E434 VanDerWaalsContact C-N 3.34Å; I432-E434 PolarHBondContact O-N 2.86Å; E434-N437 PolarHBondContact O-N 2.93Å; E434-T438 WeakPolarHBondContact O-CB 3.31Å; E434-T438 PolarHBondContact O-N 3.31Å; E434-T438 PolarHBondContact O-OG1 3.49Å
435L96Very high94.3Very high0 Ų038.9 Ų38.90%018%0.181CC..Hα-helixtrans-63.5-45.9172.3-73.4175.6000111.8F340 I344 I362 V431 I432 N437 T438 V439 I464 M681 I682F340-L435 HydrophobicContact CZ-CD2 4.16Å; I344-L435 HydrophobicContact CD1-CD2 3.77Å; I362-L435 HydrophobicContact CD1-CD2 3.97Å; I362-L435 HydrophobicContact CD1-CG 4.35Å; V431-L435 HydrophobicContact CG1-CD1 4.11Å; V431-L435 HydrophobicContact CG1-CG 4.3Å; V431-L435 WeakPolarHBondContact O-CG 3.44Å; V431-L435 PolarHBondContact O-N 2.81Å; I432-L435 PolarHBondContact O-N 2.78Å; L435-N437 VanDerWaalsContact C-N 3.33Å; L435-N437 PolarHBondContact O-N 2.68Å; L435-T438 WeakPolarHBondContact O-CB 3.41Å; L435-T438 PolarHBondContact O-N 3.19Å; L435-V439 WeakPolarHBondContact O-CG2 3.18Å; L435-V439 PolarHBondContact O-N 2.9Å; L435-I464 HydrophobicContact CB-CD1 4.18Å; L435-M681 HydrophobicContact CD1-CG 3.78Å; L435-M681 HydrophobicContact CD1-SD 3.73Å; L435-I682 HydrophobicContact CD1-CG1 4.07Å; L435-I682 HydrophobicContact CD2-CG1 4.29Å
436I95.6Very high93.8Very high18 Ų1837.3 Ų37.39%0.09217%0.173CC..Hα-helixtrans-63.8-39.7177-67.1170.5000110.9I432 Q433 V439 R440 T461 I464I432-I436 HydrophobicContact CG2-CD1 3.74Å; I432-I436 HydrophobicContact CG2-CG1 4.43Å; I432-I436 WeakPolarHBondContact O-CG1 3.27Å; I432-I436 PolarHBondContact O-N 3.15Å; Q433-I436 PolarHBondContact O-N 3.39Å; I436-V439 PolarHBondContact O-N 3.12Å; I436-R440 WeakPolarHBondContact O-CG 3.32Å; I436-R440 PolarHBondContact O-N 2.96Å; I436-R440 VanDerWaalsContact O-N 3.13Å; I436-T461 HydrophobicContact CD1-CG2 4.18Å; I436-T461 HydrophobicContact CG1-CG2 4.29Å; I436-I464 HydrophobicContact CD1-CG2 4.48Å; I436-I464 HydrophobicContact CG1-CD1 4.26Å; I436-I464 HydrophobicContact CG1-CG2 4.19Å
437N93.9Very high93.2Very high65 Ų6539.8 Ų39.835%0.34819%0.186SC..Hα-helixtrans-62.1-42.6173.5-69.4-21.8000111.7Q433 E434 L435 R440 Q441Q433-N437 WeakPolarHBondContact O-CB 3.4Å; Q433-N437 PolarHBondContact O-N 3.45Å; Q433-N437 PolarHBondContact O-ND2 3.41Å; E434-N437 PolarHBondContact O-N 2.93Å; L435-N437 VanDerWaalsContact C-N 3.33Å; L435-N437 PolarHBondContact O-N 2.68Å; N437-R440 PolarHBondContact O-N 3.4Å; N437-Q441 WeakPolarHBondContact O-CG 3.42Å; N437-Q441 PolarHBondContact O-N 2.83Å
438T93.3Very high92.5Very high0 Ų042 Ų420%020%0.201CC..Hα-helixtrans-62.4-43.4177.8-56.60000111.4F340 R343 I344 E434 L435 R440 Q441 C442F340-T438 HydrophobicContact CD2-CG2 3.93Å; F340-T438 HydrophobicContact CE2-CG2 4.01Å; R343-T438 HydrophobicContact CB-CG2 3.77Å; I344-T438 HydrophobicContact CD1-CG2 4.04Å; I344-T438 HydrophobicContact CG1-CG2 4.36Å; E434-T438 WeakPolarHBondContact O-CB 3.31Å; E434-T438 PolarHBondContact O-N 3.31Å; E434-T438 PolarHBondContact O-OG1 3.49Å; L435-T438 WeakPolarHBondContact O-CB 3.41Å; L435-T438 PolarHBondContact O-N 3.19Å; T438-R440 PolarHBondContact O-N 3.48Å; T438-Q441 PolarHBondContact O-N 2.84Å; T438-C442 PolarHBondContact O-N 3.33Å; T438-C442 PolarHBondContact O-SG 3.31Å
439V95.4Very high92Very high0 Ų042.2 Ų42.20%020%0.202CC..Hα-helixtrans-56.6-49.1174.7168.60000111.3F336 F340 L435 I436 Q441 C442 S443 E457 V460 I464F336-V439 HydrophobicContact CZ-CG1 4.24Å; F340-V439 HydrophobicContact CD2-CG2 4.25Å; F340-V439 HydrophobicContact CE2-CG2 3.86Å; L435-V439 WeakPolarHBondContact O-CG2 3.18Å; L435-V439 PolarHBondContact O-N 2.9Å; I436-V439 PolarHBondContact O-N 3.12Å; V439-Q441 VanDerWaalsContact C-N 3.32Å; V439-Q441 PolarHBondContact O-N 3.29Å; V439-C442 PolarHBondContact O-N 2.62Å; V439-S443 WeakPolarHBondContact O-CB 3.05Å; V439-S443 PolarHBondContact O-N 3.04Å; V439-S443 PolarHBondContact O-OG 2.95Å; V439-E457 HydrophobicContact CG1-CG 4.44Å; V439-V460 HydrophobicContact CG1-CB 4.28Å; V439-V460 HydrophobicContact CG1-CG1 4.28Å; V439-V460 HydrophobicContact CG2-CB 4.45Å; V439-V460 HydrophobicContact CG2-CG1 3.58Å; V439-I464 HydrophobicContact CG2-CD1 3.92Å
440R93.1Very high91.7Very high131 Ų13142.1 Ų42.149%0.49420%0.204SC..Hα-helixtrans-62.6-34.9177.9-72171.6172.1172.8-3.3113.6I436 N437 T438 S443 N444I436-R440 WeakPolarHBondContact O-CG 3.32Å; I436-R440 PolarHBondContact O-N 2.96Å; I436-R440 VanDerWaalsContact O-N 3.13Å; N437-R440 PolarHBondContact O-N 3.4Å; T438-R440 PolarHBondContact O-N 3.48Å; R440-S443 WeakPolarHBondContact CA-OG 3.25Å; R440-S443 PolarHBondContact O-OG 3.05Å; R440-N444 PolarHBondContact O-N 3.22Å; R440-N444 PolarHBondContact O-OD1 3.38Å
441Q90.5Very high91.4Very high61 Ų6146.1 Ų46.129%0.28522%0.217SC..Hα-helixtrans-71.8-33.5176.5-73177.95.900112.5N437 T438 V439N437-Q441 WeakPolarHBondContact O-CG 3.42Å; N437-Q441 PolarHBondContact O-N 2.83Å; T438-Q441 PolarHBondContact O-N 2.84Å; V439-Q441 VanDerWaalsContact C-N 3.32Å; V439-Q441 PolarHBondContact O-N 3.29Å
442C91.4Very high91.1Very high2 Ų246.1 Ų46.11%0.01422%0.217CC..Hα-helixtrans-75-40.6174.4-67.90000112.1F336 D339 T438 V439 N444 K445F336-C442 HydrophobicContact CD2-CB 3.73Å; F336-C442 HydrophobicContact CE2-CB 3.6Å; D339-C442 HydrophobicContact CB-CB 4.49Å; T438-C442 PolarHBondContact O-N 3.33Å; T438-C442 PolarHBondContact O-SG 3.31Å; V439-C442 PolarHBondContact O-N 2.62Å; C442-N444 PolarHBondContact O-N 3.19Å; C442-K445 PolarHBondContact O-N 3.15Å
443S92.7Very high90.9Very high0 Ų048.5 Ų48.50%023%0.226CC..Hα-helixtrans-67.2-20.5-178.666.50000113.8V439 R440 K445 L446 E457V439-S443 WeakPolarHBondContact O-CB 3.05Å; V439-S443 PolarHBondContact O-N 3.04Å; V439-S443 PolarHBondContact O-OG 2.95Å; R440-S443 WeakPolarHBondContact CA-OG 3.25Å; R440-S443 PolarHBondContact O-OG 3.05Å; S443-K445 PolarHBondContact O-N 3.35Å; S443-K445 VanDerWaalsContact O-N 3.14Å; S443-L446 WeakPolarHBondContact O-CA 3.34Å; S443-L446 VanDerWaalsContact O-CB 3.25Å; S443-L446 WeakPolarHBondContact O-CB 3.37Å; S443-L446 PolarHBondContact O-N 3.44Å; S443-E457 WeakPolarHBondContact CB-OE1 3.48Å; S443-E457 WeakPolarHBondContact OG-CG 3.29Å; S443-E457 PolarHBondContact OG-OE1 3.48Å
444N88.3Confident90.8Very high81 Ų8148.9 Ų48.943%0.43323%0.228SC..G310 helixtrans-53.4-31.2171.5-75.3-22.3000112.9R440 C442 L446 E447 R453R440-N444 PolarHBondContact O-N 3.22Å; R440-N444 PolarHBondContact O-OD1 3.38Å; C442-N444 PolarHBondContact O-N 3.19Å; N444-L446 PolarHBondContact O-N 3.37Å; N444-E447 VanDerWaalsContact O-CB 3.3Å; N444-E447 WeakPolarHBondContact O-CB 3.27Å; N444-E447 PolarHBondContact O-N 2.87Å; N444-R453 PolarHBondContact OD1-NH1 3.05Å; N444-R453 PolarHBondContact OD1-NH2 3.24Å
445K85Confident90.7Very high116 Ų11649.8 Ų49.850%0.50423%0.232SC..G310 helixtrans-70.6-9.3175.5-64.9-174.7-174.7-179.80114D339 C442 S443D339-K445 IonicContact OD1-NZ 3.21Å; D339-K445 PolarHBondContact OD1-NZ 3.27Å; D339-K445 VanDerWaalsContact OD2-CD 3.25Å; D339-K445 WeakPolarHBondContact OD2-CD 3.24Å; D339-K445 WeakPolarHBondContact OD2-CE 3.35Å; D339-K445 IonicContact OD2-NZ 2.77Å; D339-K445 PolarHBondContact OD2-NZ 2.92Å; C442-K445 PolarHBondContact O-N 3.15Å; S443-K445 PolarHBondContact O-N 3.35Å; S443-K445 VanDerWaalsContact O-N 3.14Å
446L86.9Confident90.6Very high4 Ų449.9 Ų49.92%0.02123%0.232CC..G310 helixtrans-94.66.5177.1-53.4176.1000112.5M332 F336 S443 N444 C448 F449 L452 R453 T456M332-L446 HydrophobicContact CB-CD2 3.79Å; M332-L446 HydrophobicContact CG-CD2 4.31Å; M332-L446 HydrophobicContact SD-CD2 4.14Å; F336-L446 HydrophobicContact CD2-CD1 4.23Å; S443-L446 WeakPolarHBondContact O-CA 3.34Å; S443-L446 VanDerWaalsContact O-CB 3.25Å; S443-L446 WeakPolarHBondContact O-CB 3.37Å; S443-L446 PolarHBondContact O-N 3.44Å; N444-L446 PolarHBondContact O-N 3.37Å; L446-C448 PolarHBondContact O-N 2.89Å; L446-C448 VanDerWaalsContact O-N 3.1Å; L446-F449 CarbonylContact O-C 3.54Å; L446-F449 PolarHBondContact O-N 2.71Å; L446-L452 HydrophobicContact CD2-CD2 4.41Å; L446-R453 HydrophobicContact CB-CB 3.9Å; L446-R453 HydrophobicContact CB-CG 4.35Å; L446-T456 HydrophobicContact CD1-CG2 4.19Å
447E83.8Confident90.6Very high126 Ų12650.8 Ų50.859%0.58924%0.236SC*.THydrogen-bonded Turntrans-56.2-26.7-175.9-177.4160.6-116.300114.6N444 F449 R453N444-E447 VanDerWaalsContact O-CB 3.3Å; N444-E447 WeakPolarHBondContact O-CB 3.27Å; N444-E447 PolarHBondContact O-N 2.87Å; E447-F449 PolarHBondContact O-N 3.28Å; E447-F449 VanDerWaalsContact O-N 3.16Å; E447-R453 IonicContact OE1-NH1 2.74Å
448C81.4Confident90.6Very high48 Ų4854.1 Ų54.132%0.32424%0.244SC..THydrogen-bonded Turntrans-59.1-24171.7-55.70000113.6L446 E709 S710L446-C448 PolarHBondContact O-N 2.89Å; L446-C448 VanDerWaalsContact O-N 3.1Å; C448-E709 WeakPolarHBondContact O-CA 3.49Å; C448-S710 PolarHBondContact O-N 3.46Å
449F88.3Confident90.8Very high3 Ų354.9 Ų54.91%0.01325%0.248CC..SBendtrans-127.980.4-179.3-61.2-68.3000110.1Q328 M332 L446 E447 R451 L452 R453 M707 E709Q328-F449 HydrophobicContact CG-CE2 4.18Å; Q328-F449 HydrophobicContact CG-CZ 4.35Å; M332-F449 HydrophobicContact CE-CD2 4.42Å; M332-F449 HydrophobicContact CE-CE2 4.05Å; L446-F449 CarbonylContact O-C 3.54Å; L446-F449 PolarHBondContact O-N 2.71Å; E447-F449 PolarHBondContact O-N 3.28Å; E447-F449 VanDerWaalsContact O-N 3.16Å; F449-R451 VanDerWaalsContact C-N 3.29Å; F449-R451 PolarHBondContact O-N 3.02Å; F449-R451 VanDerWaalsContact O-N 3.17Å; F449-L452 HydrophobicContact CB-CB 3.78Å; F449-L452 HydrophobicContact CB-CD2 4.24Å; F449-L452 WeakPolarHBondContact O-CB 3.25Å; F449-L452 PolarHBondContact O-N 3.19Å; F449-L452 VanDerWaalsContact O-N 3.12Å; F449-R453 PolarHBondContact O-N 3.11Å; F449-M707 HydrophobicContact CD1-CB 4.49Å; F449-M707 HydrophobicContact CD1-CE 4.07Å; F449-M707 HydrophobicContact CD2-CE 3.98Å; F449-M707 HydrophobicContact CE1-CE 3.85Å; F449-M707 WeakPolarHBondContact CE1-O 3.09Å; F449-M707 HydrophobicContact CE2-CE 3.76Å; F449-M707 HydrophobicContact CG-CE 4.14Å; F449-M707 HydrophobicContact CG-SD 4.45Å; F449-M707 HydrophobicContact CZ-CE 3.7Å; F449-E709 HydrophobicContact CE1-CG 3.87Å
450P89.1Confident90.8Very high49 Ų4954.9 Ų54.932%0.31825%0.248SC..Hα-helixtrans-55.7-39.1-170.3-28.335.9000114.2R453 E454P450-R453 WeakPolarHBondContact O-CB 3.39Å; P450-R453 PolarHBondContact O-N 3.38Å; P450-E454 WeakPolarHBondContact O-CG 3.37Å; P450-E454 PolarHBondContact O-N 3.39Å
451R89.9Confident91Very high122 Ų12250.3 Ų50.346%0.4624%0.235SC..Hα-helixtrans-71.6-39.7178.9-72.1171.9177.5165.67.6113.2F449 R453 E454 E455 A705 D708F449-R451 VanDerWaalsContact C-N 3.29Å; F449-R451 PolarHBondContact O-N 3.02Å; F449-R451 VanDerWaalsContact O-N 3.17Å; R451-R453 VanDerWaalsContact C-N 3.28Å; R451-R453 PolarHBondContact O-N 3.39Å; R451-E454 PolarHBondContact O-N 2.88Å; R451-E455 VanDerWaalsContact O-CB 3.25Å; R451-E455 WeakPolarHBondContact O-CB 3.46Å; R451-E455 PolarHBondContact O-N 3.38Å; R451-A705 WeakPolarHBondContact CD-O 3.38Å; R451-A705 PolarHBondContact NH1-O 3.06Å; R451-D708 IonicContact CZ-OD2 3.23Å; R451-D708 IonicContact NH1-OD2 3.09Å; R451-D708 PolarHBondContact NH1-OD2 2.99Å; R451-D708 IonicContact NH2-OD2 2.72Å
452L91.4Very high91.3Very high0 Ų050.8 Ų50.80%025%0.245CC..Hα-helixtrans-58.8-43.2170.8171.660.8000110.7L329 M332 L446 F449 T456 L697 L706 M707L329-L452 HydrophobicContact CD1-CD1 3.45Å; L329-L452 VanDerWaalsContact CD1-CD1 3.45Å; L329-L452 HydrophobicContact CD1-CD2 4Å; L329-L452 HydrophobicContact CD1-CG 4.36Å; M332-L452 HydrophobicContact CB-CD2 4.04Å; L446-L452 HydrophobicContact CD2-CD2 4.41Å; F449-L452 HydrophobicContact CB-CB 3.78Å; F449-L452 HydrophobicContact CB-CD2 4.24Å; F449-L452 WeakPolarHBondContact O-CB 3.25Å; F449-L452 PolarHBondContact O-N 3.19Å; F449-L452 VanDerWaalsContact O-N 3.12Å; L452-T456 WeakPolarHBondContact O-CB 3.3Å; L452-T456 PolarHBondContact O-N 3.39Å; L452-T456 PolarHBondContact O-OG1 2.75Å; L452-L697 HydrophobicContact CD1-CD1 4.06Å; L452-L697 HydrophobicContact CD1-CD2 4.16Å; L452-L706 HydrophobicContact CB-CG 4.18Å; L452-L706 HydrophobicContact CD1-CD2 3.82Å; L452-L706 HydrophobicContact CD1-CG 4.32Å; L452-L706 PolarHBondContact N-O 3.48Å; L452-M707 HydrophobicContact CD2-SD 3.91Å
453R93.1Very high91.5Very high54 Ų5451.9 Ų51.920%0.20425%0.25CC..Hα-helixtrans-59.6-56.8176.6179.5-168.8167.7154.810.8111.3N444 L446 E447 F449 P450 R451 E455 T456 E457N444-R453 PolarHBondContact OD1-NH1 3.05Å; N444-R453 PolarHBondContact OD1-NH2 3.24Å; L446-R453 HydrophobicContact CB-CB 3.9Å; L446-R453 HydrophobicContact CB-CG 4.35Å; E447-R453 IonicContact OE1-NH1 2.74Å; F449-R453 PolarHBondContact O-N 3.11Å; P450-R453 WeakPolarHBondContact O-CB 3.39Å; P450-R453 PolarHBondContact O-N 3.38Å; R451-R453 VanDerWaalsContact C-N 3.28Å; R451-R453 PolarHBondContact O-N 3.39Å; R453-E455 VanDerWaalsContact C-N 3.31Å; R453-E455 PolarHBondContact O-N 2.82Å; R453-T456 PolarHBondContact O-N 3.19Å; R453-E457 IonicContact CZ-OE1 3.21Å; R453-E457 IonicContact NE-OE1 2.87Å; R453-E457 PolarHBondContact NE-OE1 3.47Å; R453-E457 IonicContact NH2-OE1 2.71Å; R453-E457 PolarHBondContact NH2-OE1 2.86Å; R453-E457 WeakPolarHBondContact O-CG 3.34Å; R453-E457 PolarHBondContact O-N 3.21Å
454E92.3Very high91.7Very high132 Ų13251.9 Ų51.962%0.61725%0.25SC*.Hα-helixtrans-55-46.9-179.8-75.8174.8178.900111.6P450 R451 E457 R458P450-E454 WeakPolarHBondContact O-CG 3.37Å; P450-E454 PolarHBondContact O-N 3.39Å; R451-E454 PolarHBondContact O-N 2.88Å; E454-E457 PolarHBondContact O-N 2.63Å; E454-R458 VanDerWaalsContact O-CB 3.27Å; E454-R458 WeakPolarHBondContact O-CB 3.46Å; E454-R458 PolarHBondContact O-N 3.27Å
455E92.8Very high92.1Very high34 Ų3454.5 Ų54.516%0.15925%0.254CS..Hα-helixtrans-71.9-35.5-176.6-169.957.9-164.600112.4R451 R453 R458 I459 L697 A700 L706R451-E455 VanDerWaalsContact O-CB 3.25Å; R451-E455 WeakPolarHBondContact O-CB 3.46Å; R451-E455 PolarHBondContact O-N 3.38Å; R453-E455 VanDerWaalsContact C-N 3.31Å; R453-E455 PolarHBondContact O-N 2.82Å; E455-R458 VanDerWaalsContact CD-NE 3.34Å; E455-R458 PolarHBondContact O-N 3.23Å; E455-R458 IonicContact OE1-CZ 3.08Å; E455-R458 IonicContact OE1-NE 2.7Å; E455-R458 PolarHBondContact OE1-NE 2.9Å; E455-R458 IonicContact OE1-NH2 2.66Å; E455-R458 PolarHBondContact OE1-NH2 3.39Å; E455-R458 IonicContact OE2-CZ 2.75Å; E455-R458 IonicContact OE2-NE 2.65Å; E455-R458 PolarHBondContact OE2-NE 3.37Å; E455-R458 IonicContact OE2-NH2 4Å; E455-I459 HydrophobicContact CG-CD1 3.9Å; E455-I459 WeakPolarHBondContact O-CB 3.33Å; E455-I459 WeakPolarHBondContact O-CD1 3.3Å; E455-I459 VanDerWaalsContact O-CG1 3.25Å; E455-I459 WeakPolarHBondContact O-CG1 3.31Å; E455-I459 PolarHBondContact O-N 3.42Å; E455-L697 HydrophobicContact CB-CD2 4.22Å; E455-L697 HydrophobicContact CG-CD2 3.91Å; E455-A700 HydrophobicContact CG-CB 4.26Å; E455-A700 VanDerWaalsContact OE1-CB 3.25Å; E455-A700 WeakPolarHBondContact OE1-CB 3.47Å; E455-L706 HydrophobicContact CB-CD1 3.92Å; E455-L706 HydrophobicContact CG-CD1 4.06Å
456T94.3Very high92.6Very high1 Ų152.6 Ų52.61%0.00625%0.249CC..Hα-helixtrans-63.4-48.4171.4-59.70000111.1F336 L446 L452 R453 R458 V460 L693F336-T456 HydrophobicContact CD1-CG2 4.15Å; F336-T456 HydrophobicContact CD2-CG2 4.3Å; F336-T456 HydrophobicContact CE1-CG2 3.96Å; F336-T456 HydrophobicContact CE2-CG2 4.1Å; F336-T456 HydrophobicContact CG-CG2 4.33Å; F336-T456 HydrophobicContact CZ-CG2 3.93Å; L446-T456 HydrophobicContact CD1-CG2 4.19Å; L452-T456 WeakPolarHBondContact O-CB 3.3Å; L452-T456 PolarHBondContact O-N 3.39Å; L452-T456 PolarHBondContact O-OG1 2.75Å; R453-T456 PolarHBondContact O-N 3.19Å; T456-R458 VanDerWaalsContact C-N 3.32Å; T456-R458 PolarHBondContact O-N 3.17Å; T456-V460 WeakPolarHBondContact O-CG2 3.21Å; T456-V460 PolarHBondContact O-N 3.49Å; T456-V460 VanDerWaalsContact O-N 3.09Å; T456-L693 HydrophobicContact CG2-CD1 4.46Å; T456-L693 HydrophobicContact CG2-CD2 4.19Å
457E95.3Very high93Very high37 Ų3754.4 Ų54.417%0.17326%0.255CS..Hα-helixtrans-59.4-43.3175.8-74.3-173.6-145.600111.2V439 S443 R453 E454 T461V439-E457 HydrophobicContact CG1-CG 4.44Å; S443-E457 WeakPolarHBondContact CB-OE1 3.48Å; S443-E457 WeakPolarHBondContact OG-CG 3.29Å; S443-E457 PolarHBondContact OG-OE1 3.48Å; R453-E457 IonicContact CZ-OE1 3.21Å; R453-E457 IonicContact NE-OE1 2.87Å; R453-E457 PolarHBondContact NE-OE1 3.47Å; R453-E457 IonicContact NH2-OE1 2.71Å; R453-E457 PolarHBondContact NH2-OE1 2.86Å; R453-E457 WeakPolarHBondContact O-CG 3.34Å; R453-E457 PolarHBondContact O-N 3.21Å; E454-E457 PolarHBondContact O-N 2.63Å; E457-T461 WeakPolarHBondContact O-CB 3.49Å; E457-T461 PolarHBondContact O-N 3Å; E457-T461 PolarHBondContact O-OG1 2.89Å
458R95.3Very high93.5Very high136 Ų13649.6 Ų49.651%0.51323%0.233SC..Hα-helixtrans-62.6-51.5179.7-168.5-167.673.473.2-0.9112.1E454 E455 T456 S462E454-R458 VanDerWaalsContact O-CB 3.27Å; E454-R458 WeakPolarHBondContact O-CB 3.46Å; E454-R458 PolarHBondContact O-N 3.27Å; E455-R458 VanDerWaalsContact CD-NE 3.34Å; E455-R458 PolarHBondContact O-N 3.23Å; E455-R458 IonicContact OE1-CZ 3.08Å; E455-R458 IonicContact OE1-NE 2.7Å; E455-R458 PolarHBondContact OE1-NE 2.9Å; E455-R458 IonicContact OE1-NH2 2.66Å; E455-R458 PolarHBondContact OE1-NH2 3.39Å; E455-R458 IonicContact OE2-CZ 2.75Å; E455-R458 IonicContact OE2-NE 2.65Å; E455-R458 PolarHBondContact OE2-NE 3.37Å; E455-R458 IonicContact OE2-NH2 4Å; T456-R458 VanDerWaalsContact C-N 3.32Å; T456-R458 PolarHBondContact O-N 3.17Å; R458-S462 VanDerWaalsContact O-CB 3.3Å; R458-S462 WeakPolarHBondContact O-CB 3.31Å; R458-S462 PolarHBondContact O-N 2.92Å
459I95.8Very high94.1Very high15 Ų1550.4 Ų50.48%0.07724%0.239CC..Hα-helixtrans-62.5-51-178.3-70.4165.5000110.4E455 S462 H463 F688 L693 C696 L697 A700E455-I459 HydrophobicContact CG-CD1 3.9Å; E455-I459 WeakPolarHBondContact O-CB 3.33Å; E455-I459 WeakPolarHBondContact O-CD1 3.3Å; E455-I459 VanDerWaalsContact O-CG1 3.25Å; E455-I459 WeakPolarHBondContact O-CG1 3.31Å; E455-I459 PolarHBondContact O-N 3.42Å; I459-S462 PolarHBondContact O-N 3.28Å; I459-H463 PolarHBondContact O-N 2.95Å; I459-F688 HydrophobicContact CG2-CE1 3.93Å; I459-F688 HydrophobicContact CG2-CZ 3.69Å; I459-L693 HydrophobicContact CB-CD1 4.23Å; I459-L693 HydrophobicContact CG2-CD1 3.81Å; I459-C696 HydrophobicContact CD1-CB 3.99Å; I459-C696 HydrophobicContact CG2-CB 3.94Å; I459-L697 HydrophobicContact CD1-CD2 3.78Å; I459-L697 HydrophobicContact CD1-CG 4.13Å; I459-A700 HydrophobicContact CD1-CB 4.38Å
460V97.1Very high94.4Very high0 Ų056.6 Ų56.60%026%0.262CS..Hα-helixtrans-67.6-40.5-177.3-178.10000111.3F336 V439 T456 S462 H463 I464 V685 I689 L693F336-V460 HydrophobicContact CE1-CG2 4.25Å; F336-V460 HydrophobicContact CZ-CG2 4.44Å; V439-V460 HydrophobicContact CG1-CB 4.28Å; V439-V460 HydrophobicContact CG1-CG1 4.28Å; V439-V460 HydrophobicContact CG2-CB 4.45Å; V439-V460 HydrophobicContact CG2-CG1 3.58Å; T456-V460 WeakPolarHBondContact O-CG2 3.21Å; T456-V460 PolarHBondContact O-N 3.49Å; T456-V460 VanDerWaalsContact O-N 3.09Å; V460-S462 VanDerWaalsContact C-N 3.33Å; V460-S462 PolarHBondContact O-N 2.88Å; V460-H463 PolarHBondContact O-N 3.31Å; V460-I464 HydrophobicContact CG1-CD1 4.08Å; V460-I464 WeakPolarHBondContact O-CG1 3.33Å; V460-I464 PolarHBondContact O-N 2.84Å; V460-V685 HydrophobicContact CG1-CG1 4.4Å; V460-I689 HydrophobicContact CG1-CD1 3.81Å; V460-I689 HydrophobicContact CG1-CG1 4.03Å; V460-I689 HydrophobicContact CG2-CG1 4.07Å; V460-L693 HydrophobicContact CG2-CD1 3.8Å; V460-L693 HydrophobicContact CG2-CD2 3.97Å; V460-L693 HydrophobicContact CG2-CG 4.47Å
461T96.5Very high94.8Very high35 Ų3554.2 Ų54.222%0.21525%0.247CC..Hα-helixtrans-63.6-39.4175.5-57.80000111.5I436 E457 H463 I464 R465I436-T461 HydrophobicContact CD1-CG2 4.18Å; I436-T461 HydrophobicContact CG1-CG2 4.29Å; E457-T461 WeakPolarHBondContact O-CB 3.49Å; E457-T461 PolarHBondContact O-N 3Å; E457-T461 PolarHBondContact O-OG1 2.89Å; T461-H463 VanDerWaalsContact C-N 3.34Å; T461-H463 PolarHBondContact O-N 3.05Å; T461-I464 PolarHBondContact O-N 2.8Å; T461-R465 WeakPolarHBondContact O-CG 3.43Å; T461-R465 PolarHBondContact O-N 2.82Å
462S95.9Very high95.2Very high72 Ų7250.2 Ų50.250%0.50323%0.233SC..Hα-helixtrans-62.8-39.9175.3-167.20000112.1R458 I459 V460 R465 D466R458-S462 VanDerWaalsContact O-CB 3.3Å; R458-S462 WeakPolarHBondContact O-CB 3.31Å; R458-S462 PolarHBondContact O-N 2.92Å; I459-S462 PolarHBondContact O-N 3.28Å; V460-S462 VanDerWaalsContact C-N 3.33Å; V460-S462 PolarHBondContact O-N 2.88Å; S462-R465 PolarHBondContact O-N 3.49Å; S462-D466 PolarHBondContact O-N 3.4Å; S462-D466 VanDerWaalsContact O-N 3.08Å
463H96.8Very high95.4Very high25 Ų2554.8 Ų54.812%0.11626%0.257CS..Hα-helixtrans-66.8-41175.5-172.268.7000112.3I459 V460 T461 R465 D466 R467 N684 F688I459-H463 PolarHBondContact O-N 2.95Å; V460-H463 PolarHBondContact O-N 3.31Å; T461-H463 VanDerWaalsContact C-N 3.34Å; T461-H463 PolarHBondContact O-N 3.05Å; H463-R465 VanDerWaalsContact C-N 3.28Å; H463-R465 PolarHBondContact O-N 3.39Å; H463-D466 PolarHBondContact O-N 3.22Å; H463-R467 WeakPolarHBondContact O-CG 3.38Å; H463-R467 PolarHBondContact O-N 3.49Å; H463-N684 PolarHBondContact NE2-OD1 3.5Å; H463-N684 VanDerWaalsContact NE2-OD1 3.15Å; H463-F688 HydrophobicContact CB-CD1 3.97Å; H463-F688 HydrophobicContact CB-CE1 3.81Å; H463-F688 HydrophobicContact CB-CG 4.44Å; H463-F688 HydrophobicContact CB-CZ 4.15Å; H463-F688 AromaticContact CD2-CD1 3.58Å; H463-F688 AromaticContact CD2-CG 3.47Å; H463-F688 VanDerWaalsContact CD2-CG 3.47Å; H463-F688 WeakPolarHBondContact CD2-CG 3.43Å; H463-F688 AromaticContact CE1-CD2 3.78Å; H463-F688 AromaticContact CE1-CG 3.86Å; H463-F688 AromaticContact CG-CD1 3.74Å; H463-F688 AromaticContact CG-CG 3.75Å; H463-F688 AromaticContact ND1-CD2 3.85Å; H463-F688 WeakPolarHBondContact NE2-CB 3.38Å; H463-F688 AromaticContact NE2-CD2 3.96Å; H463-F688 AromaticContact NE2-CG 3.55Å
464I97.2Very high95.6Very high0 Ų055.7 Ų55.70%026%0.264CS..Hα-helixtrans-58.9-40.7173.2-67.8163.7000110.9I432 L435 I436 V439 V460 T461 R467 E468 V685I432-I464 HydrophobicContact CG2-CG2 3.94Å; L435-I464 HydrophobicContact CB-CD1 4.18Å; I436-I464 HydrophobicContact CD1-CG2 4.48Å; I436-I464 HydrophobicContact CG1-CD1 4.26Å; I436-I464 HydrophobicContact CG1-CG2 4.19Å; V439-I464 HydrophobicContact CG2-CD1 3.92Å; V460-I464 HydrophobicContact CG1-CD1 4.08Å; V460-I464 WeakPolarHBondContact O-CG1 3.33Å; V460-I464 PolarHBondContact O-N 2.84Å; T461-I464 PolarHBondContact O-N 2.8Å; I464-R467 PolarHBondContact O-N 3.01Å; I464-E468 WeakPolarHBondContact O-CB 3.28Å; I464-E468 PolarHBondContact O-N 3.36Å; I464-V685 HydrophobicContact CD1-CG1 4.38Å; I464-V685 HydrophobicContact CG1-CG1 4.03Å; I464-V685 HydrophobicContact CG1-CG2 3.73Å
465R95.5Very high95.9Very high136 Ų13649.4 Ų49.451%0.51323%0.234SC..Hα-helixtrans-68.2-33.2177.1-70.8-61.1-164.7169.64.2114T461 S462 H463 E468T461-R465 WeakPolarHBondContact O-CG 3.43Å; T461-R465 PolarHBondContact O-N 2.82Å; S462-R465 PolarHBondContact O-N 3.49Å; H463-R465 VanDerWaalsContact C-N 3.28Å; H463-R465 PolarHBondContact O-N 3.39Å; R465-E468 WeakPolarHBondContact CD-OE2 3.49Å; R465-E468 IonicContact CZ-OE2 3.47Å; R465-E468 IonicContact NE-OE2 2.63Å; R465-E468 IonicContact NH1-OE1 3.47Å; R465-E468 IonicContact NH1-OE2 3.05Å; R465-E468 PolarHBondContact NH1-OE2 2.85Å; R465-E468 WeakPolarHBondContact O-CB 3.36Å
466D95.1Very high96.1Very high75 Ų7550.3 Ų50.340%0.40124%0.24SC..Hα-helixtrans-67.2-45.1170.4172.284000111.1S462 H463 E468 S469 R470S462-D466 PolarHBondContact O-N 3.4Å; S462-D466 VanDerWaalsContact O-N 3.08Å; H463-D466 PolarHBondContact O-N 3.22Å; D466-E468 VanDerWaalsContact C-N 3.3Å; D466-E468 PolarHBondContact O-N 2.78Å; D466-S469 PolarHBondContact O-N 3.37Å; D466-R470 PolarHBondContact O-N 3.41Å
467R95.6Very high96.2Very high42 Ų4254.3 Ų54.316%0.15826%0.261CS..Hα-helixtrans-66.4-30.1177.3-65.3-55.9113123.81113.3H463 I464 R470 A471 L680 M681 N684H463-R467 WeakPolarHBondContact O-CG 3.38Å; H463-R467 PolarHBondContact O-N 3.49Å; I464-R467 PolarHBondContact O-N 3.01Å; R467-R470 PolarHBondContact O-N 3.08Å; R467-A471 VanDerWaalsContact O-CB 3.27Å; R467-A471 WeakPolarHBondContact O-CB 3.14Å; R467-A471 PolarHBondContact O-N 2.69Å; R467-L680 WeakPolarHBondContact CD-O 3.14Å; R467-M681 HydrophobicContact CB-CG 4.24Å; R467-N684 VanDerWaalsContact CD-OD1 3.27Å; R467-N684 WeakPolarHBondContact CD-OD1 3.49Å; R467-N684 PolarHBondContact NH1-OD1 2.87Å
468E95.2Very high96.3Very high26 Ų2653.8 Ų53.812%0.12126%0.259CS..Hα-helixtrans-52.2-53.8170.8163.5174.8-172.200111.8I432 I464 R465 D466 R470 A471 K472I432-E468 HydrophobicContact CD1-CB 3.47Å; I432-E468 VanDerWaalsContact CD1-CB 3.47Å; I432-E468 HydrophobicContact CD1-CG 3.37Å; I432-E468 HydrophobicContact CG1-CB 4.25Å; I464-E468 WeakPolarHBondContact O-CB 3.28Å; I464-E468 PolarHBondContact O-N 3.36Å; R465-E468 WeakPolarHBondContact CD-OE2 3.49Å; R465-E468 IonicContact CZ-OE2 3.47Å; R465-E468 IonicContact NE-OE2 2.63Å; R465-E468 IonicContact NH1-OE1 3.47Å; R465-E468 IonicContact NH1-OE2 3.05Å; R465-E468 PolarHBondContact NH1-OE2 2.85Å; R465-E468 WeakPolarHBondContact O-CB 3.36Å; D466-E468 VanDerWaalsContact C-N 3.3Å; D466-E468 PolarHBondContact O-N 2.78Å; E468-R470 PolarHBondContact O-N 3.48Å; E468-A471 PolarHBondContact O-N 2.83Å; E468-K472 HydrophobicContact CG-CD 4.04Å; E468-K472 WeakPolarHBondContact O-CG 3.47Å; E468-K472 PolarHBondContact O-N 2.98Å; E468-K472 IonicContact OE1-NZ 3.51Å; E468-K472 PolarHBondContact OE1-NZ 3.48Å
469S94.1Very high96.3Very high65 Ų6547.3 Ų47.346%0.45524%0.235SC..Hα-helixtrans-59.5-50.8-178.5-1660000110.7D466 A471 K472 D473D466-S469 PolarHBondContact O-N 3.37Å; S469-A471 VanDerWaalsContact C-N 3.31Å; S469-A471 PolarHBondContact O-N 3.11Å; S469-K472 PolarHBondContact O-N 2.84Å; S469-K472 VanDerWaalsContact O-N 3.14Å; S469-D473 VanDerWaalsContact O-CG 3.25Å; S469-D473 PolarHBondContact O-N 3.28Å
470R95.3Very high96.4Very high132 Ų13249.8 Ų49.850%0.49825%0.248SC..Hα-helixtrans-62.6-36.6-177.6-61.1-173.865.4-166.4-3.3112.9D466 R467 E468 Q474D466-R470 PolarHBondContact O-N 3.41Å; R467-R470 PolarHBondContact O-N 3.08Å; E468-R470 PolarHBondContact O-N 3.48Å; R470-Q474 WeakPolarHBondContact O-CB 3.34Å; R470-Q474 PolarHBondContact O-N 3.12Å; R470-Q474 VanDerWaalsContact O-N 3.15Å
471A96.5Very high96.3Very high0 Ų054.1 Ų54.10%027%0.271CS..Hα-helixtrans-69.1-42.1175.400000111.6V428 R467 E468 S469 Q474 V475 M681V428-A471 HydrophobicContact CG1-CB 4.17Å; R467-A471 VanDerWaalsContact O-CB 3.27Å; R467-A471 WeakPolarHBondContact O-CB 3.14Å; R467-A471 PolarHBondContact O-N 2.69Å; E468-A471 PolarHBondContact O-N 2.83Å; S469-A471 VanDerWaalsContact C-N 3.31Å; S469-A471 PolarHBondContact O-N 3.11Å; A471-Q474 PolarHBondContact O-N 2.87Å; A471-V475 WeakPolarHBondContact O-CB 3.33Å; A471-V475 VanDerWaalsContact O-CG2 3.26Å; A471-V475 WeakPolarHBondContact O-CG2 3.35Å; A471-V475 PolarHBondContact O-N 3.17Å; A471-M681 HydrophobicContact CB-CE 3.63Å
472K97.3Very high96.2Very high38 Ų3854.4 Ų54.417%0.16527%0.27CS..Hα-helixtrans-62.1-46.2175.9-73178.4174.81770111.6I425 V428 D429 E468 S469 Q474 V475 L476I425-K472 HydrophobicContact CD1-CB 3.7Å; I425-K472 HydrophobicContact CD1-CD 4.3Å; I425-K472 HydrophobicContact CD1-CG 3.7Å; I425-K472 HydrophobicContact CG2-CD 4.45Å; V428-K472 HydrophobicContact CB-CG 4.37Å; V428-K472 HydrophobicContact CG1-CG 4Å; D429-K472 WeakPolarHBondContact OD1-CE 3.04Å; D429-K472 IonicContact OD1-NZ 3.98Å; D429-K472 PolarHBondContact OD1-NZ 3.38Å; D429-K472 IonicContact OD2-NZ 2.85Å; E468-K472 HydrophobicContact CG-CD 4.04Å; E468-K472 WeakPolarHBondContact O-CG 3.47Å; E468-K472 PolarHBondContact O-N 2.98Å; E468-K472 IonicContact OE1-NZ 3.51Å; E468-K472 PolarHBondContact OE1-NZ 3.48Å; S469-K472 PolarHBondContact O-N 2.84Å; S469-K472 VanDerWaalsContact O-N 3.14Å; K472-Q474 PolarHBondContact O-N 3.47Å; K472-V475 PolarHBondContact O-N 3.43Å; K472-L476 WeakPolarHBondContact O-CG 3.24Å; K472-L476 PolarHBondContact O-N 3.02Å
473D97.1Very high96.2Very high95 Ų9552.2 Ų52.251%0.50825%0.253SS..Hα-helixtrans-60.1-46.1177.8-63.9-33.1000111.6S469 V475 L476 L477S469-D473 VanDerWaalsContact O-CG 3.25Å; S469-D473 PolarHBondContact O-N 3.28Å; D473-V475 PolarHBondContact O-N 3.07Å; D473-L476 PolarHBondContact O-N 2.68Å; D473-L477 WeakPolarHBondContact O-CB 3.41Å; D473-L477 PolarHBondContact O-N 3.42Å
474Q97.6Very high96.1Very high73 Ų7355.1 Ų55.134%0.34128%0.275SS..Hα-helixtrans-64.8-39.2176.7-174.363.341.500112.4R470 A471 K472 L477 L478 T676 L680R470-Q474 WeakPolarHBondContact O-CB 3.34Å; R470-Q474 PolarHBondContact O-N 3.12Å; R470-Q474 VanDerWaalsContact O-N 3.15Å; A471-Q474 PolarHBondContact O-N 2.87Å; K472-Q474 PolarHBondContact O-N 3.47Å; Q474-L477 PolarHBondContact O-N 2.69Å; Q474-L478 WeakPolarHBondContact O-CG 3.21Å; Q474-L478 PolarHBondContact O-N 2.68Å; Q474-T676 HydrophobicContact CB-CG2 4.18Å; Q474-T676 HydrophobicContact CG-CG2 3.73Å; Q474-L680 HydrophobicContact CB-CD1 3.67Å; Q474-L680 HydrophobicContact CG-CD1 3.78Å
475V97.3Very high95.9Very high0 Ų062 Ų620%030%0.302CS..Hα-helixtrans-62.9-43.6176.3157.80000111.2C424 I425 V428 A471 K472 D473 L478 I479 I673 T676C424-V475 HydrophobicContact CB-CG1 3.51Å; I425-V475 HydrophobicContact CD1-CG1 4.42Å; V428-V475 HydrophobicContact CG2-CG2 4Å; A471-V475 WeakPolarHBondContact O-CB 3.33Å; A471-V475 VanDerWaalsContact O-CG2 3.26Å; A471-V475 WeakPolarHBondContact O-CG2 3.35Å; A471-V475 PolarHBondContact O-N 3.17Å; K472-V475 PolarHBondContact O-N 3.43Å; D473-V475 PolarHBondContact O-N 3.07Å; V475-L478 PolarHBondContact O-N 3.1Å; V475-I479 PolarHBondContact O-N 3.46Å; V475-I673 HydrophobicContact CB-CD1 4.27Å; V475-I673 HydrophobicContact CG1-CD1 3.88Å; V475-I673 HydrophobicContact CG2-CD1 3.86Å; V475-I673 HydrophobicContact CG2-CG2 4.48Å; V475-T676 HydrophobicContact CG2-CG2 4.19Å
476L97.3Very high95.8Very high53 Ų5356.6 Ų56.628%0.27728%0.284SS..Hα-helixtrans-64.4-43.4176.2-67.6171.1000111.5K421 I425 K472 D473 L478 I479 D480K421-L476 HydrophobicContact CB-CD2 3.96Å; K421-L476 HydrophobicContact CD-CD2 3.88Å; K421-L476 HydrophobicContact CG-CD2 3.94Å; I425-L476 HydrophobicContact CD1-CD1 4.28Å; I425-L476 HydrophobicContact CD1-CD2 4.1Å; I425-L476 HydrophobicContact CD1-CG 3.98Å; I425-L476 HydrophobicContact CG1-CD2 4.09Å; K472-L476 WeakPolarHBondContact O-CG 3.24Å; K472-L476 PolarHBondContact O-N 3.02Å; D473-L476 PolarHBondContact O-N 2.68Å; L476-L478 VanDerWaalsContact C-N 3.3Å; L476-L478 PolarHBondContact O-N 2.84Å; L476-I479 PolarHBondContact O-N 3.25Å; L476-I479 VanDerWaalsContact O-N 3.08Å; L476-D480 PolarHBondContact O-N 2.71Å
477L97.3Very high95.7Very high86 Ų8655.7 Ų55.745%0.4528%0.279SS..Hα-helixtrans-58.3-40.1174.7178.460.9000112.1D473 Q474 I479 D480 L481D473-L477 WeakPolarHBondContact O-CB 3.41Å; D473-L477 PolarHBondContact O-N 3.42Å; Q474-L477 PolarHBondContact O-N 2.69Å; L477-I479 VanDerWaalsContact C-N 3.31Å; L477-I479 PolarHBondContact O-N 2.92Å; L477-D480 PolarHBondContact O-N 2.87Å; L477-L481 HydrophobicContact CD1-CG 4.46Å; L477-L481 WeakPolarHBondContact O-CG 3.28Å; L477-L481 PolarHBondContact O-N 2.77Å
478L96.8Very high95.5Very high25 Ų2557.1 Ų57.113%0.13129%0.292CS..Hα-helixtrans-61.8-37175.3-73.4170.6000112.5Q474 V475 L476 L481 Q482 I673 T676Q474-L478 WeakPolarHBondContact O-CG 3.21Å; Q474-L478 PolarHBondContact O-N 2.68Å; V475-L478 PolarHBondContact O-N 3.1Å; L476-L478 VanDerWaalsContact C-N 3.3Å; L476-L478 PolarHBondContact O-N 2.84Å; L478-L481 HydrophobicContact CD2-CD1 4.49Å; L478-Q482 WeakPolarHBondContact O-CG 3.48Å; L478-Q482 PolarHBondContact O-N 2.82Å; L478-I673 HydrophobicContact CD1-CD1 4.36Å; L478-T676 HydrophobicContact CD1-CG2 4.24Å; L478-T676 VanDerWaalsContact CD1-OG1 3.28Å; L478-T676 WeakPolarHBondContact CD1-OG1 3.5Å
479I96.1Very high95.3Very high0 Ų062.2 Ų62.20%032%0.32CS..Hα-helixtrans-71.1-40.3173.5-53.8-54.9000111.2V417 L420 K421 V475 L476 L477 L481 Q482 L483 I669V417-I479 HydrophobicContact CG1-CG2 3.97Å; V417-I479 WeakPolarHBondContact O-CG2 3.12Å; L420-I479 HydrophobicContact CB-CD1 4.17Å; K421-I479 HydrophobicContact CG-CB 4.03Å; K421-I479 HydrophobicContact CG-CG1 4.2Å; K421-I479 HydrophobicContact CG-CG2 3.74Å; V475-I479 PolarHBondContact O-N 3.46Å; L476-I479 PolarHBondContact O-N 3.25Å; L476-I479 VanDerWaalsContact O-N 3.08Å; L477-I479 VanDerWaalsContact C-N 3.31Å; L477-I479 PolarHBondContact O-N 2.92Å; I479-L481 VanDerWaalsContact C-N 3.28Å; I479-L481 PolarHBondContact O-N 3.48Å; I479-Q482 WeakPolarHBondContact O-CB 3.33Å; I479-Q482 PolarHBondContact O-N 2.85Å; I479-L483 PolarHBondContact O-N 2.75Å; I479-I669 HydrophobicContact CD1-CD1 3.51Å; I479-I669 HydrophobicContact CD1-CG1 4.08Å
480D96.6Very high95.2Very high67 Ų6762.4 Ų62.436%0.35831%0.314SS..Hα-helixtrans-66.2-30.3178-71.6-38.1000112.3K421 L476 L477 L483 S484K421-D480 VanDerWaalsContact CE-OD1 3.24Å; K421-D480 WeakPolarHBondContact CE-OD1 3.3Å; K421-D480 IonicContact NZ-OD1 2.93Å; K421-D480 PolarHBondContact NZ-OD1 2.97Å; K421-D480 IonicContact NZ-OD2 3.8Å; K421-D480 PolarHBondContact NZ-OD2 2.98Å; L476-D480 PolarHBondContact O-N 2.71Å; L477-D480 PolarHBondContact O-N 2.87Å; D480-L483 PolarHBondContact O-N 3.22Å; D480-S484 PolarHBondContact O-N 3.17Å
481L96.3Very high95Very high92 Ų9265.3 Ų65.348%0.48233%0.333SS..Hα-helixtrans-63.7-41.4168.2-71.4171.3000112.4L477 L478 I479 L483 S484L477-L481 HydrophobicContact CD1-CG 4.46Å; L477-L481 WeakPolarHBondContact O-CG 3.28Å; L477-L481 PolarHBondContact O-N 2.77Å; L478-L481 HydrophobicContact CD2-CD1 4.49Å; I479-L481 VanDerWaalsContact C-N 3.28Å; I479-L481 PolarHBondContact O-N 3.48Å; L481-L483 PolarHBondContact O-N 2.84Å; L481-S484 WeakPolarHBondContact O-CB 3.33Å; L481-S484 PolarHBondContact O-N 2.97Å; L481-S484 VanDerWaalsContact O-N 3.13Å; L481-S484 PolarHBondContact O-OG 3.35Å
482Q94.5Very high94.6Very high40 Ų4069.3 Ų69.319%0.18735%0.354CS..Hα-helixtrans-65.1-26.8174.1-61-64.2-38.500112.5V417 L478 I479 V665 I669V417-Q482 HydrophobicContact CG1-CB 3.79Å; L478-Q482 WeakPolarHBondContact O-CG 3.48Å; L478-Q482 PolarHBondContact O-N 2.82Å; I479-Q482 WeakPolarHBondContact O-CB 3.33Å; I479-Q482 PolarHBondContact O-N 2.85Å; Q482-V665 HydrophobicContact CB-CG1 4.48Å; Q482-V665 HydrophobicContact CG-CG1 4.28Å; Q482-I669 HydrophobicContact CG-CD1 4.23Å
483L94.8Very high94.3Very high27 Ų2768.8 Ų68.814%0.14135%0.352CS..Hα-helixtrans-79-26.4172.7-65.9171000113.1K414 V417 V418 I479 D480 L481 Y485K414-L483 HydrophobicContact CB-CD2 4.01Å; K414-L483 WeakPolarHBondContact CE-O 3.39Å; K414-L483 HydrophobicContact CG-CD2 4.11Å; K414-L483 VanDerWaalsContact O-CD2 3.27Å; K414-L483 WeakPolarHBondContact O-CD2 3.24Å; V417-L483 HydrophobicContact CB-CD2 3.62Å; V417-L483 HydrophobicContact CB-CG 4.39Å; V417-L483 HydrophobicContact CG1-CD2 3.59Å; V417-L483 HydrophobicContact CG1-CG 3.79Å; V418-L483 HydrophobicContact CG2-CD1 3.59Å; V418-L483 HydrophobicContact CG2-CD2 3.91Å; V418-L483 HydrophobicContact CG2-CG 4.43Å; I479-L483 PolarHBondContact O-N 2.75Å; D480-L483 PolarHBondContact O-N 3.22Å; L481-L483 PolarHBondContact O-N 2.84Å; L483-Y485 PolarHBondContact O-N 2.78Å
484S94.5Very high93.6Very high85 Ų8566 Ų6659%0.59434%0.337SS*.Hα-helixtrans-66.2-35.3-174.774.60000113.9D480 L481D480-S484 PolarHBondContact O-N 3.17Å; L481-S484 WeakPolarHBondContact O-CB 3.33Å; L481-S484 PolarHBondContact O-N 2.97Å; L481-S484 VanDerWaalsContact O-N 3.13Å; L481-S484 PolarHBondContact O-OG 3.35Å
485Y93.6Very high92.7Very high145 Ų14563.5 Ų63.557%0.56933%0.331SS*.  trans-150.8130.8-173.9178.8-112.7000111.9L483 N487L483-Y485 PolarHBondContact O-N 2.78Å; Y485-N487 HydrophobicContact CD1-CB 4.16Å; Y485-N487 HydrophobicContact CE1-CB 3.68Å
486I93.8Very high91.6Very high23 Ų2367.6 Ų67.612%0.11835%0.349CS..  trans-100.4107.8176.3-62.2-179.6000108.6F409 E410 V413 K414 T488 Y661F409-I486 HydrophobicContact CE1-CG2 3.75Å; F409-I486 HydrophobicContact CZ-CG2 4.05Å; E410-I486 HydrophobicContact CB-CD1 3.97Å; E410-I486 HydrophobicContact CG-CD1 3.79Å; V413-I486 HydrophobicContact CB-CD1 3.92Å; V413-I486 HydrophobicContact CG1-CD1 3.72Å; V413-I486 HydrophobicContact CG1-CG1 4.25Å; K414-I486 HydrophobicContact CG-CD1 4.45Å; I486-T488 HydrophobicContact CG2-CG2 4.27Å; I486-T488 PolarHBondContact O-N 2.86Å; I486-Y661 WeakPolarHBondContact CA-OH 3.19Å; I486-Y661 HydrophobicContact CG1-CE1 4.49Å; I486-Y661 HydrophobicContact CG2-CD1 4.36Å; I486-Y661 HydrophobicContact CG2-CD2 4.06Å; I486-Y661 HydrophobicContact CG2-CE1 4.01Å; I486-Y661 HydrophobicContact CG2-CE2 3.68Å; I486-Y661 HydrophobicContact CG2-CG 4.39Å
487N92.8Very high90.2Very high56 Ų5668.2 Ų68.230%0.29936%0.362SS..  trans-85.588.4-177.4-174.910.9000111.8Y485 N489 H490 Y661Y485-N487 HydrophobicContact CD1-CB 4.16Å; Y485-N487 HydrophobicContact CE1-CB 3.68Å; N487-N489 PolarHBondContact O-N 2.72Å; N487-N489 WeakPolarHBondContact OD1-CB 3.28Å; N487-N489 PolarHBondContact OD1-N 2.74Å; N487-N489 VanDerWaalsContact OD1-N 3.08Å; N487-H490 WeakPolarHBondContact O-CB 3.49Å; N487-H490 PolarHBondContact O-N 3.09Å; N487-Y661 PolarHBondContact N-OH 3.08Å; N487-Y661 VanDerWaalsContact N-OH 3.1Å
488T91Very high89.1Confident72 Ų7266.4 Ų66.444%0.44236%0.356SS..THydrogen-bonded Turntrans-71-4175.453.90000114.4F409 I486 F493F409-T488 HydrophobicContact CE1-CG2 4.05Å; I486-T488 HydrophobicContact CG2-CG2 4.27Å; I486-T488 PolarHBondContact O-N 2.86Å; T488-F493 HydrophobicContact CG2-CE1 4.02Å; T488-F493 HydrophobicContact CG2-CZ 4.4Å; T488-F493 VanDerWaalsContact O-CD1 3.31Å; T488-F493 WeakPolarHBondContact O-CD1 3.45Å
489N91.4Very high88Confident133 Ų13365.2 Ų65.271%0.71135%0.35SS*.THydrogen-bonded Turntrans-958174.3-61.1-34.9000113.1N487N487-N489 PolarHBondContact O-N 2.72Å; N487-N489 WeakPolarHBondContact OD1-CB 3.28Å; N487-N489 PolarHBondContact OD1-N 2.74Å; N487-N489 VanDerWaalsContact OD1-N 3.08Å
490H92.4Very high86.6Confident69 Ų6969.4 Ų69.432%0.31937%0.37SS..  trans-66.5135.8178-173.2-74.8000111.5N487 D492 F493 I664N487-H490 WeakPolarHBondContact O-CB 3.49Å; N487-H490 PolarHBondContact O-N 3.09Å; H490-D492 IonicContact CE1-OD2 2.81Å; H490-D492 PolarHBondContact ND1-N 2.68Å; H490-D492 VanDerWaalsContact ND1-N 3.15Å; H490-D492 PolarHBondContact O-N 3.27Å; H490-F493 HydrophobicContact CB-CB 4.38Å; H490-F493 VanDerWaalsContact O-CB 3.23Å; H490-F493 WeakPolarHBondContact O-CB 3.46Å; H490-F493 PolarHBondContact O-N 2.96Å; H490-I664 HydrophobicContact CB-CD1 4.29Å
491E90.1Very high85Confident193 Ų19372.2 Ų72.290%0.90238%0.381SS*.THydrogen-bonded Turntrans-57.7-42.1-172.8-61.6-179.7172.500113.8F493E491-F493 PolarHBondContact O-N 2.93Å
492D88.3Confident83.5Confident83 Ų8374.7 Ų74.744%0.44438%0.384SS..THydrogen-bonded Turntrans-71.2-2.3176.1-66.6-26.8000114.3H490 I664 K667H490-D492 IonicContact CE1-OD2 2.81Å; H490-D492 PolarHBondContact ND1-N 2.68Å; H490-D492 VanDerWaalsContact ND1-N 3.15Å; H490-D492 PolarHBondContact O-N 3.27Å; D492-I664 HydrophobicContact CB-CD1 4.04Å; D492-I664 HydrophobicContact CB-CG1 3.87Å; D492-K667 IonicContact OD1-NZ 2.76Å; D492-K667 IonicContact OD2-NZ 2.97Å; D492-K667 PolarHBondContact OD2-NZ 3.46Å
493F91.6Very high81.8Confident27 Ų2773.8 Ų73.812%0.11838%0.382CS..  trans-88.5120.6-176.7-175.1-115.3000111.6F409 T488 H490 E491 G495 L657 Y661 I664F409-F493 HydrophobicContact CE1-CZ 4.4Å; F409-F493 HydrophobicContact CE2-CE2 4.34Å; F409-F493 HydrophobicContact CE2-CZ 4.35Å; F409-F493 AromaticContact CZ-CE2 3.99Å; F409-F493 HydrophobicContact CZ-CE2 3.99Å; F409-F493 AromaticContact CZ-CZ 3.83Å; F409-F493 HydrophobicContact CZ-CZ 3.83Å; T488-F493 HydrophobicContact CG2-CE1 4.02Å; T488-F493 HydrophobicContact CG2-CZ 4.4Å; T488-F493 VanDerWaalsContact O-CD1 3.31Å; T488-F493 WeakPolarHBondContact O-CD1 3.45Å; H490-F493 HydrophobicContact CB-CB 4.38Å; H490-F493 VanDerWaalsContact O-CB 3.23Å; H490-F493 WeakPolarHBondContact O-CB 3.46Å; H490-F493 PolarHBondContact O-N 2.96Å; E491-F493 PolarHBondContact O-N 2.93Å; F493-G495 PolarHBondContact O-N 2.82Å; F493-G495 VanDerWaalsContact O-N 3.07Å; F493-L657 HydrophobicContact CE1-CD2 4.28Å; F493-L657 HydrophobicContact CE2-CB 4.44Å; F493-L657 HydrophobicContact CE2-CD2 4.2Å; F493-L657 HydrophobicContact CZ-CB 4.3Å; F493-L657 HydrophobicContact CZ-CD2 3.67Å; F493-Y661 HydrophobicContact CD2-CD2 4.13Å; F493-Y661 HydrophobicContact CE2-CD2 4.24Å; F493-I664 HydrophobicContact CB-CD1 3.86Å; F493-I664 HydrophobicContact CD2-CD1 4.43Å
494I82.5Confident79.6Confident36 Ų3677 Ų7719%0.18541%0.407CS..  trans-65.3-18.1-169.865.1177.2000115.4S498 A499 N656 L657 S660I494-S498 WeakPolarHBondContact O-CB 3.49Å; I494-S498 PolarHBondContact O-OG 3.01Å; I494-A499 HydrophobicContact CD1-CB 4Å; I494-A499 HydrophobicContact CG1-CB 4.48Å; I494-N656 HydrophobicContact CD1-CB 4.43Å; I494-L657 HydrophobicContact CG1-CD2 4.37Å; I494-S660 PolarHBondContact N-OG 3.24Å
495G78.3Confident77.3Confident22 Ų2278.9 Ų78.923%0.22741%0.406CS..Hα-helixtrans67.3169.4-176.900000114.9F493 A497 A499F493-G495 PolarHBondContact O-N 2.82Å; F493-G495 VanDerWaalsContact O-N 3.07Å; G495-A497 PolarHBondContact O-N 3.25Å; G495-A499 PolarHBondContact O-N 3.41Å
496F73.6Confident74.6Confident85 Ų8577.5 Ų77.537%0.37341%0.413SS..Hα-helixtrans-64.4-39.4-171.5-127.9-89000113.8T404 A499 Q500 T653 L657T404-F496 HydrophobicContact CG2-CE1 4.26Å; T404-F496 HydrophobicContact CG2-CZ 3.75Å; F496-A499 PolarHBondContact O-N 2.95Å; F496-Q500 HydrophobicContact CD1-CG 4.38Å; F496-Q500 WeakPolarHBondContact O-CG 3.29Å; F496-Q500 PolarHBondContact O-N 3.29Å; F496-T653 HydrophobicContact CD1-CG2 4.08Å; F496-T653 HydrophobicContact CE1-CG2 3.72Å; F496-T653 HydrophobicContact CZ-CG2 4.21Å; F496-L657 HydrophobicContact CD2-CD1 3.52Å; F496-L657 HydrophobicContact CE2-CD1 3.39Å; F496-L657 HydrophobicContact CG-CD1 4.21Å; F496-L657 HydrophobicContact CZ-CD1 3.98Å
497A68.4Low72Confident67 Ų6783.3 Ų83.355%0.55444%0.444SS*.Hα-helixtrans-64.5-46.9-176.600000112.2G495 Q500 Q501G495-A497 PolarHBondContact O-N 3.25Å; A497-Q500 PolarHBondContact O-N 3.07Å; A497-Q501 WeakPolarHBondContact O-CG 3.42Å; A497-Q501 PolarHBondContact O-N 3.49Å
498S73.3Confident69.6Low47 Ų4790 Ų9033%0.32947%0.471SS..Hα-helixtrans-69.4-34.6178.9-44.50000111.9I494 Q501 R502I494-S498 WeakPolarHBondContact O-CB 3.49Å; I494-S498 PolarHBondContact O-OG 3.01Å; S498-Q501 PolarHBondContact O-N 3.26Å; S498-R502 WeakPolarHBondContact O-CG 3.21Å; S498-R502 PolarHBondContact O-N 3.03Å
499A74.1Confident66.8Low0 Ų091.8 Ų91.80%049%0.486CS..Hα-helixtrans-63.7-40.7174.500000112.3I494 G495 F496 S503 T653 N656 L657I494-A499 HydrophobicContact CD1-CB 4Å; I494-A499 HydrophobicContact CG1-CB 4.48Å; G495-A499 PolarHBondContact O-N 3.41Å; F496-A499 PolarHBondContact O-N 2.95Å; A499-S503 PolarHBondContact O-N 3.33Å; A499-S503 VanDerWaalsContact O-N 3.13Å; A499-T653 HydrophobicContact CB-CG2 4.19Å; A499-N656 HydrophobicContact CB-CB 4.06Å; A499-L657 HydrophobicContact CB-CD2 3.7Å; A499-L657 HydrophobicContact CB-CG 3.8Å
500Q66.7Low64.5Low89 Ų8993.9 Ų93.942%0.41649%0.491SS..Hα-helixtrans-68.7-40.8174.6-74.6-176.6-32.400112.5F496 A497 R502 S503 S504 T653F496-Q500 HydrophobicContact CD1-CG 4.38Å; F496-Q500 WeakPolarHBondContact O-CG 3.29Å; F496-Q500 PolarHBondContact O-N 3.29Å; A497-Q500 PolarHBondContact O-N 3.07Å; Q500-R502 PolarHBondContact O-N 2.78Å; Q500-S503 PolarHBondContact O-N 3.34Å; Q500-S503 PolarHBondContact O-OG 3.48Å; Q500-S504 PolarHBondContact O-N 3.2Å; Q500-S504 VanDerWaalsContact O-N 3.15Å; Q500-S504 PolarHBondContact O-OG 3.01Å; Q500-T653 HydrophobicContact CG-CG2 3.68Å
501Q63.1Low61.7Low125 Ų12596.1 Ų96.158%0.58452%0.515SS*.Hα-helixtrans-59.9-44.2174.8-74.9175.9-14.300111.8A497 S498 S503 S504 Q505A497-Q501 WeakPolarHBondContact O-CG 3.42Å; A497-Q501 PolarHBondContact O-N 3.49Å; S498-Q501 PolarHBondContact O-N 3.26Å; Q501-S503 PolarHBondContact O-N 3.23Å; Q501-S504 WeakPolarHBondContact O-CB 3.12Å; Q501-S504 PolarHBondContact O-N 2.84Å; Q501-Q505 PolarHBondContact O-N 3.47Å
502R65.1Low59.3Low144 Ų14492.2 Ų92.254%0.54351%0.509SS..Hα-helixtrans-60.8-41174.4-72.7177.4-177.5-175.21.8112.6S498 Q500 S504 Q505S498-R502 WeakPolarHBondContact O-CG 3.21Å; S498-R502 PolarHBondContact O-N 3.03Å; Q500-R502 PolarHBondContact O-N 2.78Å; R502-S504 PolarHBondContact O-N 3.04Å; R502-Q505 PolarHBondContact O-N 2.99Å
503S58.1Low56.8Low22 Ų2291.6 Ų91.615%0.15452%0.515CS..Hα-helixtrans-64.7-19.4174.377.50000114.1A499 Q500 Q501A499-S503 PolarHBondContact O-N 3.33Å; A499-S503 VanDerWaalsContact O-N 3.13Å; Q500-S503 PolarHBondContact O-N 3.34Å; Q500-S503 PolarHBondContact O-OG 3.48Å; Q501-S503 PolarHBondContact O-N 3.23Å
504S49.5Very low54.3Low95 Ų9592.9 Ų92.966%0.66454%0.537SS*.Hα-helixtrans-93.4-11.6179.1-520000113.2Q500 Q501 R502Q500-S504 PolarHBondContact O-N 3.2Å; Q500-S504 VanDerWaalsContact O-N 3.15Å; Q500-S504 PolarHBondContact O-OG 3.01Å; Q501-S504 WeakPolarHBondContact O-CB 3.12Å; Q501-S504 PolarHBondContact O-N 2.84Å; R502-S504 PolarHBondContact O-N 3.04Å
505Q45.2Very low52.9Low124 Ų12496.9 Ų96.958%0.57956%0.558SS**  trans-114.747.8-175.2-70.7-177.1-17.700111.8Q501 R502 N507Q501-Q505 PolarHBondContact O-N 3.47Å; R502-Q505 PolarHBondContact O-N 2.99Å; Q505-N507 PolarHBondContact O-N 2.68Å
506T37.9Very low52.3Low116 Ų116103.4 Ų103.471%0.71258%0.583SS**  trans-67.610.6177.245.30000114.8
507N38.3Very low52.7Low144 Ų144102.9 Ų102.977%0.7759%0.587SS**SBendtrans-142.4118.6169.8-83.8-63.8000110.9Q505Q505-N507 PolarHBondContact O-N 2.68Å
508K42Very low53.3Low197 Ų197101.9 Ų101.986%0.85757%0.572SS**  trans73.1107.3176.4-53.8175.8178.3177.60117.1
509S33.4Very low54.1Low110 Ų110101.9 Ų101.977%0.76956%0.564SS**  -168.5137.7107.332.70000112.2
510Q43.3Very low55Low176 Ų176106 Ų10682%0.82258%0.582SS**  trans-75.7155.1166.7-64.5160.1-65.200109.8
511S33.4Very low56.3Low116 Ų116102.4 Ų102.481%0.81157%0.568SS**  trans-131.6114.9158.2600000109.4A513S511-A513 PolarHBondContact O-N 2.73Å
512S38.6Very low57.7Low111 Ų111101.7 Ų101.778%0.77656%0.561SS**  trans-65.3125.5-17552.80000113.1
513A37.3Very low59Low70 Ų7095 Ų9558%0.57954%0.536SS*.  trans-122.183.116700000107.8S511 N515S511-A513 PolarHBondContact O-N 2.73Å; A513-N515 PolarHBondContact O-N 2.71Å
514G37.7Very low60.6Low55 Ų5594.6 Ų94.657%0.56753%0.532SS*.  trans-60.4126.9-156.300000115.6Q516G514-Q516 PolarHBondContact O-N 2.71Å
515N52.7Low62.5Low120 Ų12090 Ų9064%0.64250%0.5SS*.  trans49.813.2148.5-128.714.1000120A513A513-N515 PolarHBondContact O-N 2.71Å
516Q66.8Low64.1Low158 Ų15887 Ų8774%0.73849%0.488SS*.  trans-67.3134.3172.2-69.9-170.55.100110.5G514 I518 T543 A544G514-Q516 PolarHBondContact O-N 2.71Å; Q516-I518 PolarHBondContact O-N 2.77Å; Q516-T543 VanDerWaalsContact O-CA 3.26Å; Q516-T543 WeakPolarHBondContact O-CA 3.5Å; Q516-T543 WeakPolarHBondContact O-CB 3.44Å; Q516-A544 PolarHBondContact O-N 3.25Å
517V81Confident65.8Low75 Ų7582.7 Ų82.746%0.45546%0.461SS..EExtended strand (participates in β ladder)trans-80.2118176.8178.40000109.2K520 V541 L542 T543V517-K520 HydrophobicContact CG1-CD 4.4Å; V517-K520 HydrophobicContact CG1-CG 3.68Å; V517-V541 HydrophobicContact CG1-CG1 3.89Å; V517-V541 HydrophobicContact CG2-CG1 4Å; V517-L542 CarbonylContact C-O 3.36Å; V517-T543 HydrophobicContact CG2-CG2 4.24Å
518I82.6Confident67Low46 Ų4676.7 Ų76.724%0.23643%0.429CS..EExtended strand (participates in β ladder)trans-83.8-35.4179.2-65.3174.3000110.9Q516 L542 A544 R619 A620Q516-I518 PolarHBondContact O-N 2.77Å; I518-L542 HydrophobicContact CB-CD2 4.37Å; I518-L542 HydrophobicContact CB-CG 4.28Å; I518-L542 HydrophobicContact CG2-CD2 4.18Å; I518-L542 PolarHBondContact N-O 2.68Å; I518-A544 HydrophobicContact CD1-CB 4.11Å; I518-R619 HydrophobicContact CG2-CB 4.14Å; I518-A620 HydrophobicContact CD1-CB 3.59Å
519R89.9Confident67.5Low46 Ų4670.8 Ų70.817%0.17441%0.412CS..EExtended strand (participates in β ladder)trans-159150.6176.6-179.3166.1178.81541.2111.8L542 D609 S612 W613 S616R519-L542 HydrophobicContact CB-CB 4.49Å; R519-L542 PolarHBondContact N-O 3.14Å; R519-L542 PolarHBondContact O-N 3.46Å; R519-D609 IonicContact NH2-OD1 2.71Å; R519-S612 VanDerWaalsContact NH1-CB 3.31Å; R519-S612 PolarHBondContact NH1-O 2.81Å; R519-S612 VanDerWaalsContact NH1-O 3.08Å; R519-S612 PolarHBondContact NH1-OG 3.39Å; R519-W613 HydrophobicContact CB-CZ3 4.22Å; R519-W613 HydrophobicContact CG-CE3 4.22Å; R519-W613 HydrophobicContact CG-CH2 3.85Å; R519-W613 HydrophobicContact CG-CZ2 4.24Å; R519-W613 HydrophobicContact CG-CZ3 3.84Å; R519-W613 VanDerWaalsContact NE-CE2 3.26Å; R519-S616 VanDerWaalsContact CD-OG 3.29Å; R519-S616 WeakPolarHBondContact CD-OG 3.29Å
520K93.4Very high68.3Low88 Ų8873.1 Ų73.138%0.38341%0.414SS..EExtended strand (participates in β ladder)trans-123.2159160.6-53.5-169170.4-168.70110.6V517 W539 F540 V541 E555V517-K520 HydrophobicContact CG1-CD 4.4Å; V517-K520 HydrophobicContact CG1-CG 3.68Å; K520-W539 HydrophobicContact CB-CH2 4.24Å; K520-W539 HydrophobicContact CB-CZ2 3.55Å; K520-W539 HydrophobicContact CD-CZ2 4.18Å; K520-F540 CarbonylContact C-O 3.38Å; K520-F540 VanDerWaalsContact CA-O 3.23Å; K520-F540 WeakPolarHBondContact CA-O 3.33Å; K520-V541 HydrophobicContact CD-CG2 4.07Å; K520-V541 HydrophobicContact CG-CB 4.5Å; K520-V541 HydrophobicContact CG-CG1 4.24Å; K520-V541 HydrophobicContact CG-CG2 4.03Å; K520-E555 VanDerWaalsContact CD-OE1 3.28Å; K520-E555 WeakPolarHBondContact CD-OE1 3.43Å; K520-E555 VanDerWaalsContact CE-OE1 3.31Å; K520-E555 WeakPolarHBondContact CE-OE1 3.46Å; K520-E555 IonicContact NZ-OE1 2.71Å; K520-E555 PolarHBondContact NZ-OE1 3.2Å; K520-E555 IonicContact NZ-OE2 3.98Å; K520-E555 PolarHBondContact NZ-OE2 2.86Å
521G93.1Very high68.7Low12 Ų1272.7 Ų72.712%0.12442%0.416CS..EExtended strand (participates in β ladder)trans159.7168.1172.500000113.6W539 F540G521-W539 VanDerWaalsContact C-CE3 3.48Å; G521-W539 VanDerWaalsContact CA-CZ3 3.45Å; G521-F540 PolarHBondContact N-O 3.15Å; G521-F540 PolarHBondContact O-N 2.71Å
522W92.7Very high69.6Low111 Ų11174.2 Ų74.242%0.4241%0.408SS..EExtended strand (participates in β ladder)trans-75.1140.3174.8-64.2102.3000111.8E537 Y538 W539 D553W522-E537 HydrophobicContact CB-CG 4.27Å; W522-E537 HydrophobicContact CD2-CG 4.47Å; W522-E537 HydrophobicContact CE3-CG 3.8Å; W522-Y538 VanDerWaalsContact CE3-C 3.41Å; W522-W539 AromaticContact CD1-CE3 3.7Å; W522-W539 AromaticContact CD1-CZ3 3.63Å; W522-W539 AromaticContact CD2-CE3 3.81Å; W522-W539 HydrophobicContact CD2-CE3 3.81Å; W522-W539 HydrophobicContact CD2-CZ3 4.5Å; W522-W539 AromaticContact CE2-CE3 3.68Å; W522-W539 HydrophobicContact CE3-CB 4.22Å; W522-W539 AromaticContact CG-CE3 3.84Å; W522-W539 HydrophobicContact CG-CE3 3.84Å; W522-W539 HydrophobicContact CG-CZ3 4.18Å; W522-W539 HydrophobicContact CH2-CB 4.41Å; W522-W539 HydrophobicContact CZ2-CE3 4.34Å; W522-W539 HydrophobicContact CZ3-CB 4.14Å; W522-W539 AromaticContact NE1-CE3 3.56Å; W522-W539 AromaticContact NE1-CZ3 3.59Å; W522-D553 HydrophobicContact CZ2-CB 4.14Å
523L92.7Very high70.3Confident3 Ų371.1 Ų71.12%0.01639%0.393CS..EExtended strand (participates in β ladder)trans-143.4145.6167.6-71.1171.4000109.6Y538 F540 F583 L602 C604 W613L523-Y538 PolarHBondContact N-O 2.99Å; L523-Y538 VanDerWaalsContact N-O 3.09Å; L523-Y538 PolarHBondContact O-N 3.12Å; L523-F540 HydrophobicContact CB-CD2 3.57Å; L523-F540 HydrophobicContact CB-CE2 3.66Å; L523-F540 HydrophobicContact CB-CG 4.29Å; L523-F540 HydrophobicContact CB-CZ 4.46Å; L523-F540 HydrophobicContact CD1-CB 4.26Å; L523-F540 HydrophobicContact CD1-CD1 4.3Å; L523-F540 HydrophobicContact CD1-CD2 4.09Å; L523-F540 HydrophobicContact CD1-CE2 4.48Å; L523-F540 HydrophobicContact CD1-CG 3.97Å; L523-F540 HydrophobicContact CG-CD2 4.21Å; L523-F540 HydrophobicContact CG-CG 4.49Å; L523-F583 HydrophobicContact CD1-CZ 4.5Å; L523-F583 HydrophobicContact CD2-CE1 4.49Å; L523-L602 HydrophobicContact CD1-CB 4.49Å; L523-L602 HydrophobicContact CD1-CD1 4.16Å; L523-C604 WeakPolarHBondContact CD2-SG 3.45Å; L523-W613 HydrophobicContact CD1-CD2 3.88Å; L523-W613 HydrophobicContact CD1-CE3 4.08Å; L523-W613 HydrophobicContact CD1-CG 4.42Å; L523-W613 HydrophobicContact CD1-CH2 4.14Å; L523-W613 HydrophobicContact CD1-CZ2 3.91Å; L523-W613 HydrophobicContact CD1-CZ3 4.22Å; L523-W613 HydrophobicContact CD2-CD2 4.24Å; L523-W613 HydrophobicContact CD2-CG 4.11Å; L523-W613 HydrophobicContact CD2-CZ2 4.47Å; L523-W613 HydrophobicContact CG-CD2 4.25Å; L523-W613 HydrophobicContact CG-CZ2 3.85Å
524T90.9Very high71.6Confident13 Ų1369 Ų698%0.0838%0.378CS..EExtended strand (participates in β ladder)trans-92.2123.9173.5-54.70000110.4A535 E537 K580 L602 A603T524-A535 HydrophobicContact CG2-CB 4.01Å; T524-E537 PolarHBondContact OG1-OE1 3.39Å; T524-K580 PolarHBondContact OG1-NZ 2.72Å; T524-K580 VanDerWaalsContact OG1-NZ 3.1Å; T524-L602 CarbonylContact O-C 3.41Å; T524-L602 WeakPolarHBondContact O-CA 3.24Å; T524-A603 PolarHBondContact N-O 3.31Å; T524-A603 VanDerWaalsContact N-O 3.08Å; T524-A603 PolarHBondContact O-N 3.17Å
525I89.6Confident73.3Confident0 Ų069 Ų690%037%0.373CS..EExtended strand (participates in β ladder)trans-83.3118.6170.1-56.2175.8000108.8I528 A535 K536 Y538 F540 W549 L600 E601 L602I525-I528 HydrophobicContact CB-CD1 3.97Å; I525-I528 HydrophobicContact CB-CG1 4.33Å; I525-I528 HydrophobicContact CG2-CD1 4Å; I525-I528 HydrophobicContact CG2-CG1 3.82Å; I525-A535 VanDerWaalsContact O-CA 3.29Å; I525-A535 WeakPolarHBondContact O-CA 3.29Å; I525-K536 PolarHBondContact N-O 2.82Å; I525-K536 PolarHBondContact O-N 2.78Å; I525-Y538 HydrophobicContact CD1-CD2 3.56Å; I525-Y538 HydrophobicContact CD1-CE2 3.84Å; I525-Y538 HydrophobicContact CG1-CD2 3.91Å; I525-Y538 HydrophobicContact CG1-CE2 4.37Å; I525-F540 HydrophobicContact CD1-CE2 4.41Å; I525-F540 HydrophobicContact CD1-CZ 3.83Å; I525-F540 HydrophobicContact CG1-CE2 4.11Å; I525-F540 HydrophobicContact CG1-CZ 3.7Å; I525-W549 HydrophobicContact CD1-CD2 4.35Å; I525-W549 HydrophobicContact CD1-CZ2 3.73Å; I525-L600 HydrophobicContact CD1-CD1 4.29Å; I525-L600 HydrophobicContact CG1-CD1 4.38Å; I525-L600 HydrophobicContact CG2-CD1 3.69Å; I525-E601 WeakPolarHBondContact CA-O 3.37Å; I525-L602 HydrophobicContact CG1-CD2 3.94Å
526N80.1Confident74.7Confident61 Ų6167.2 Ų67.233%0.32636%0.359SS..  trans-89.2-37.9-171.1-166.353.9000113.7I528 E601N526-I528 VanDerWaalsContact C-N 3.27Å; N526-I528 PolarHBondContact O-N 3.34Å; N526-I528 VanDerWaalsContact O-N 3.12Å; N526-E601 HydrophobicContact CB-CB 3.87Å; N526-E601 PolarHBondContact N-O 2.62Å; N526-E601 PolarHBondContact ND2-OE2 3Å
527N73.1Confident75.8Confident25 Ų2564 Ų6413%0.13434%0.344CS..  trans-85.926.6-171.275.30.8000115.8S529 N597 T599 E601N527-S529 PolarHBondContact O-N 3.03Å; N527-N597 VanDerWaalsContact CG-ND2 3.29Å; N527-N597 PolarHBondContact ND2-ND2 2.83Å; N527-N597 PolarHBondContact O-ND2 3.32Å; N527-N597 PolarHBondContact OD1-ND2 3.18Å; N527-T599 PolarHBondContact ND2-O 3.44Å; N527-T599 PolarHBondContact ND2-OG1 3.43Å; N527-E601 HydrophobicContact CB-CB 4.17Å; N527-E601 HydrophobicContact CB-CG 4.23Å
528I62.3Low76.4Confident18 Ų1862 Ų629%0.09233%0.329CS..  trans-77.5120.1174.1-64172.7000109.1I525 N526 I530 K532 K536 Y538I525-I528 HydrophobicContact CB-CD1 3.97Å; I525-I528 HydrophobicContact CB-CG1 4.33Å; I525-I528 HydrophobicContact CG2-CD1 4Å; I525-I528 HydrophobicContact CG2-CG1 3.82Å; N526-I528 VanDerWaalsContact C-N 3.27Å; N526-I528 PolarHBondContact O-N 3.34Å; N526-I528 VanDerWaalsContact O-N 3.12Å; I528-I530 PolarHBondContact O-N 2.86Å; I528-K532 HydrophobicContact CG2-CB 4.38Å; I528-K536 HydrophobicContact CD1-CB 4.23Å; I528-Y538 HydrophobicContact CD1-CE2 4.05Å
529S53Low77Confident73 Ų7361.9 Ų61.951%0.5133%0.325SS..  trans-50.8134.4-178.7-37.30000112N527 I531 K532N527-S529 PolarHBondContact O-N 3.03Å; S529-I531 PolarHBondContact O-N 3.34Å; S529-K532 PolarHBondContact O-N 3.32Å
530I50.7Low77.3Confident158 Ų15859.7 Ų59.781%0.8132%0.317SS*.G310 helixtrans-49.6-36.8-174.9-62.4171.3000112.2I528 K532 G533I528-I530 PolarHBondContact O-N 2.86Å; I530-K532 PolarHBondContact O-N 3.34Å; I530-K532 VanDerWaalsContact O-N 3.09Å; I530-G533 PolarHBondContact O-N 3.5Å
531I50.8Low77.3Confident168 Ų16856 Ų5686%0.86230%0.302SS*.G310 helixtrans-60.3-18.3178.4-47.8177.8000113.5S529S529-I531 PolarHBondContact O-N 3.34Å
532K53.2Low77.4Confident148 Ų14855.4 Ų55.464%0.64330%0.296SS*.G310 helixtrans-112.915.9177-71.8-179.5177.7170.80114I528 S529 I530 K536I528-K532 HydrophobicContact CG2-CB 4.38Å; S529-K532 PolarHBondContact O-N 3.32Å; I530-K532 PolarHBondContact O-N 3.34Å; I530-K532 VanDerWaalsContact O-N 3.09Å; K532-K536 PolarHBondContact O-NZ 2.92Å
533G52.8Low77.2Confident45 Ų4550.5 Ų50.546%0.46428%0.278SS..  trans98.436.1163.300000116.4I530 K536I530-G533 PolarHBondContact O-N 3.5Å; G533-K536 WeakPolarHBondContact O-CE 3.42Å
534G64.9Low76.7Confident26 Ų2652.3 Ų52.327%0.26829%0.293SS..SBendtrans70.4-173.216700000116.1K536G534-K536 PolarHBondContact O-N 3.45Å
535A72.6Confident76.3Confident54 Ų5456 Ų5645%0.44631%0.31SS..SBendtrans-61.6130.9175.600000110.3T524 I525T524-A535 HydrophobicContact CG2-CB 4.01Å; I525-A535 VanDerWaalsContact O-CA 3.29Å; I525-A535 WeakPolarHBondContact O-CA 3.29Å
536K83.5Confident76.4Confident83 Ų8356.5 Ų56.536%0.36131%0.313SS..EExtended strand (participates in β ladder)trans-132.5137.9-174.2-80.3174.4175.51600111.4I525 I528 K532 G533 G534 Y538I525-K536 PolarHBondContact N-O 2.82Å; I525-K536 PolarHBondContact O-N 2.78Å; I528-K536 HydrophobicContact CD1-CB 4.23Å; K532-K536 PolarHBondContact O-NZ 2.92Å; G533-K536 WeakPolarHBondContact O-CE 3.42Å; G534-K536 PolarHBondContact O-N 3.45Å; K536-Y538 HydrophobicContact CB-CD2 4.4Å; K536-Y538 HydrophobicContact CB-CE2 3.64Å; K536-Y538 WeakPolarHBondContact O-CD2 3.49Å
537E89.8Confident77.1Confident92 Ų9253.6 Ų53.643%0.4330%0.298SS..EExtended strand (participates in β ladder)trans-84.5139.1175.9-166.2153.2-99.700110.7W522 T524 K580W522-E537 HydrophobicContact CB-CG 4.27Å; W522-E537 HydrophobicContact CD2-CG 4.47Å; W522-E537 HydrophobicContact CE3-CG 3.8Å; T524-E537 PolarHBondContact OG1-OE1 3.39Å; E537-K580 IonicContact OE1-NZ 3.59Å; E537-K580 PolarHBondContact OE1-NZ 3.24Å
538Y93.3Very high78.1Confident33 Ų3352.6 Ų52.613%0.12929%0.293CS..EExtended strand (participates in β ladder)trans-141.2154.5-179.4-66.9-74.2000109.7W522 L523 I525 I528 K536 F540 W549 F550 K559W522-Y538 VanDerWaalsContact CE3-C 3.41Å; L523-Y538 PolarHBondContact N-O 2.99Å; L523-Y538 VanDerWaalsContact N-O 3.09Å; L523-Y538 PolarHBondContact O-N 3.12Å; I525-Y538 HydrophobicContact CD1-CD2 3.56Å; I525-Y538 HydrophobicContact CD1-CE2 3.84Å; I525-Y538 HydrophobicContact CG1-CD2 3.91Å; I525-Y538 HydrophobicContact CG1-CE2 4.37Å; I528-Y538 HydrophobicContact CD1-CE2 4.05Å; K536-Y538 HydrophobicContact CB-CD2 4.4Å; K536-Y538 HydrophobicContact CB-CE2 3.64Å; K536-Y538 WeakPolarHBondContact O-CD2 3.49Å; Y538-F540 WeakPolarHBondContact O-CD2 3.21Å; Y538-W549 AromaticContact CG-CD1 3.69Å; Y538-F550 WeakPolarHBondContact CB-O 3.36Å; Y538-F550 WeakPolarHBondContact CD1-O 3.2Å; Y538-K559 HydrophobicContact CD1-CG 4.25Å; Y538-K559 HydrophobicContact CE1-CG 4.04Å
539W95.1Very high79.6Confident43 Ų4351.8 Ų51.816%0.16329%0.288CS..EExtended strand (participates in β ladder)trans-85115.1172.9-179-109.3000109.6K520 G521 W522 W549 F550 D553 E555K520-W539 HydrophobicContact CB-CH2 4.24Å; K520-W539 HydrophobicContact CB-CZ2 3.55Å; K520-W539 HydrophobicContact CD-CZ2 4.18Å; G521-W539 VanDerWaalsContact C-CE3 3.48Å; G521-W539 VanDerWaalsContact CA-CZ3 3.45Å; W522-W539 AromaticContact CD1-CE3 3.7Å; W522-W539 AromaticContact CD1-CZ3 3.63Å; W522-W539 AromaticContact CD2-CE3 3.81Å; W522-W539 HydrophobicContact CD2-CE3 3.81Å; W522-W539 HydrophobicContact CD2-CZ3 4.5Å; W522-W539 AromaticContact CE2-CE3 3.68Å; W522-W539 HydrophobicContact CE3-CB 4.22Å; W522-W539 AromaticContact CG-CE3 3.84Å; W522-W539 HydrophobicContact CG-CE3 3.84Å; W522-W539 HydrophobicContact CG-CZ3 4.18Å; W522-W539 HydrophobicContact CH2-CB 4.41Å; W522-W539 HydrophobicContact CZ2-CE3 4.34Å; W522-W539 HydrophobicContact CZ3-CB 4.14Å; W522-W539 AromaticContact NE1-CE3 3.56Å; W522-W539 AromaticContact NE1-CZ3 3.59Å; W539-W549 CarbonylContact O-C 3.49Å; W539-W549 WeakPolarHBondContact O-CA 3.4Å; W539-W549 WeakPolarHBondContact O-CB 3.39Å; W539-F550 HydrophobicContact CB-CB 4.47Å; W539-F550 PolarHBondContact N-O 3.14Å; W539-F550 VanDerWaalsContact N-O 3.12Å; W539-F550 PolarHBondContact O-N 2.88Å; W539-D553 HydrophobicContact CD2-CB 3.76Å; W539-D553 HydrophobicContact CE3-CB 3.98Å; W539-D553 HydrophobicContact CG-CB 4.08Å; W539-D553 HydrophobicContact CH2-CB 4.49Å; W539-D553 HydrophobicContact CZ2-CB 4.3Å; W539-D553 HydrophobicContact CZ3-CB 4.33Å; W539-E555 PolarHBondContact NE1-OE1 3Å
540F95.9Very high81.5Confident0 Ų049 Ų490%027%0.267CS..EExtended strand (participates in β ladder)trans-97.1141.9-178.7-80.5-104.4000111.7K520 G521 L523 I525 Y538 L547 S548 W549 L602 W613K520-F540 CarbonylContact C-O 3.38Å; K520-F540 VanDerWaalsContact CA-O 3.23Å; K520-F540 WeakPolarHBondContact CA-O 3.33Å; G521-F540 PolarHBondContact N-O 3.15Å; G521-F540 PolarHBondContact O-N 2.71Å; L523-F540 HydrophobicContact CB-CD2 3.57Å; L523-F540 HydrophobicContact CB-CE2 3.66Å; L523-F540 HydrophobicContact CB-CG 4.29Å; L523-F540 HydrophobicContact CB-CZ 4.46Å; L523-F540 HydrophobicContact CD1-CB 4.26Å; L523-F540 HydrophobicContact CD1-CD1 4.3Å; L523-F540 HydrophobicContact CD1-CD2 4.09Å; L523-F540 HydrophobicContact CD1-CE2 4.48Å; L523-F540 HydrophobicContact CD1-CG 3.97Å; L523-F540 HydrophobicContact CG-CD2 4.21Å; L523-F540 HydrophobicContact CG-CG 4.49Å; I525-F540 HydrophobicContact CD1-CE2 4.41Å; I525-F540 HydrophobicContact CD1-CZ 3.83Å; I525-F540 HydrophobicContact CG1-CE2 4.11Å; I525-F540 HydrophobicContact CG1-CZ 3.7Å; Y538-F540 WeakPolarHBondContact O-CD2 3.21Å; F540-L547 HydrophobicContact CD1-CD1 3.73Å; F540-L547 HydrophobicContact CD1-CD2 4.05Å; F540-L547 HydrophobicContact CD1-CG 3.79Å; F540-L547 HydrophobicContact CE1-CD2 4.05Å; F540-L547 HydrophobicContact CE1-CG 4.17Å; F540-S548 WeakPolarHBondContact CA-O 3.39Å; F540-W549 HydrophobicContact CD1-CB 3.73Å; F540-W549 HydrophobicContact CD1-CD2 4.41Å; F540-W549 HydrophobicContact CD1-CE3 4.08Å; F540-W549 HydrophobicContact CD1-CG 4.35Å; F540-W549 HydrophobicContact CD2-CB 3.88Å; F540-W549 HydrophobicContact CE1-CB 3.8Å; F540-W549 AromaticContact CE1-CD2 3.72Å; F540-W549 HydrophobicContact CE1-CD2 3.72Å; F540-W549 AromaticContact CE1-CE3 3.45Å; F540-W549 HydrophobicContact CE1-CE3 3.45Å; F540-W549 VanDerWaalsContact CE1-CE3 3.45Å; F540-W549 AromaticContact CE1-CG 3.93Å; F540-W549 HydrophobicContact CE1-CG 3.93Å; F540-W549 HydrophobicContact CE1-CZ3 4.11Å; F540-W549 HydrophobicContact CE2-CB 3.95Å; F540-W549 HydrophobicContact CE2-CG 4.24Å; F540-W549 HydrophobicContact CG-CB 3.8Å; F540-W549 HydrophobicContact CZ-CB 3.92Å; F540-W549 AromaticContact CZ-CD2 3.9Å; F540-W549 HydrophobicContact CZ-CD2 3.9Å; F540-W549 HydrophobicContact CZ-CE3 4.08Å; F540-W549 AromaticContact CZ-CG 3.88Å; F540-W549 HydrophobicContact CZ-CG 3.88Å; F540-L602 HydrophobicContact CE1-CD2 3.95Å; F540-L602 HydrophobicContact CE2-CD2 4.24Å; F540-L602 HydrophobicContact CZ-CD2 3.52Å; F540-W613 HydrophobicContact CB-CH2 3.77Å; F540-W613 HydrophobicContact CB-CZ2 4.41Å; F540-W613 HydrophobicContact CB-CZ3 4.43Å
541V94.4Very high83.3Confident10 Ų1046.9 Ų46.96%0.06125%0.252CS..EExtended strand (participates in β ladder)trans-129.5112.5174.4-179.50000107.9V517 K520 S548 F550 E555V517-V541 HydrophobicContact CG1-CG1 3.89Å; V517-V541 HydrophobicContact CG2-CG1 4Å; K520-V541 HydrophobicContact CD-CG2 4.07Å; K520-V541 HydrophobicContact CG-CB 4.5Å; K520-V541 HydrophobicContact CG-CG1 4.24Å; K520-V541 HydrophobicContact CG-CG2 4.03Å; V541-S548 PolarHBondContact N-O 3.49Å; V541-S548 PolarHBondContact O-N 3.17Å; V541-F550 HydrophobicContact CB-CE2 4.01Å; V541-F550 HydrophobicContact CG2-CD2 3.97Å; V541-F550 HydrophobicContact CG2-CE2 3.57Å; V541-E555 HydrophobicContact CG2-CG 4.43Å
542L93.8Very high85.1Confident0 Ų040.4 Ų40.40%022%0.219CC..EExtended strand (participates in β ladder)trans-97.2124.4176.9177.365.4000109.5V517 I518 R519 L547 L564 W613 S616 L617 A620V517-L542 CarbonylContact C-O 3.36Å; I518-L542 HydrophobicContact CB-CD2 4.37Å; I518-L542 HydrophobicContact CB-CG 4.28Å; I518-L542 HydrophobicContact CG2-CD2 4.18Å; I518-L542 PolarHBondContact N-O 2.68Å; R519-L542 HydrophobicContact CB-CB 4.49Å; R519-L542 PolarHBondContact N-O 3.14Å; R519-L542 PolarHBondContact O-N 3.46Å; L542-L547 HydrophobicContact CB-CD1 3.98Å; L542-L547 HydrophobicContact CD1-CB 4.3Å; L542-L547 HydrophobicContact CD1-CD1 4.01Å; L542-L564 HydrophobicContact CD1-CD1 3.82Å; L542-L564 HydrophobicContact CD1-CD2 4.2Å; L542-W613 HydrophobicContact CB-CZ3 4.43Å; L542-S616 VanDerWaalsContact CD2-C 3.43Å; L542-S616 WeakPolarHBondContact CD2-O 3.4Å; L542-L617 HydrophobicContact CD1-CD2 3.92Å; L542-L617 HydrophobicContact CD2-CD2 4.16Å; L542-L617 HydrophobicContact CD2-CG 4.26Å; L542-A620 HydrophobicContact CD1-CB 3.85Å; L542-A620 HydrophobicContact CD2-CB 4.12Å; L542-A620 HydrophobicContact CG-CB 4.13Å
543T89.8Confident86.8Confident8 Ų838 Ų385%0.04921%0.213CC..EExtended strand (participates in β ladder)trans-109.3176.1167.469.30000110.3Q516 V517 E545 S546 L564Q516-T543 VanDerWaalsContact O-CA 3.26Å; Q516-T543 WeakPolarHBondContact O-CA 3.5Å; Q516-T543 WeakPolarHBondContact O-CB 3.44Å; V517-T543 HydrophobicContact CG2-CG2 4.24Å; T543-E545 PolarHBondContact O-N 3.41Å; T543-E545 PolarHBondContact OG1-N 2.95Å; T543-S546 PolarHBondContact N-O 2.86Å; T543-S546 PolarHBondContact OG1-N 2.88Å; T543-S546 PolarHBondContact OG1-O 2.91Å; T543-S546 PolarHBondContact OG1-OG 3.46Å; T543-L564 WeakPolarHBondContact O-CD1 3.28Å
544A80.4Confident88.4Confident40 Ų4041.3 Ų41.333%0.33122%0.217SC..SBendtrans-63.1-15173.200000114.4Q516 I518Q516-A544 PolarHBondContact O-N 3.25Å; I518-A544 HydrophobicContact CD1-CB 4.11Å
545E83.8Confident89.4Confident90 Ų9043 Ų4342%0.42122%0.218SC..SBendtrans-121.5-22.1-172.2-63.1174.416800112.9T543 L564T543-E545 PolarHBondContact O-N 3.41Å; T543-E545 PolarHBondContact OG1-N 2.95Å; E545-L564 PolarHBondContact O-N 2.78Å; E545-L564 VanDerWaalsContact O-N 3.12Å
546S91.5Very high90Very high11 Ų1147.7 Ų47.78%0.07723%0.228CC..EExtended strand (participates in β ladder)trans-149.5150.7-176.674.90000114.3T543 L562T543-S546 PolarHBondContact N-O 2.86Å; T543-S546 PolarHBondContact OG1-N 2.88Å; T543-S546 PolarHBondContact OG1-O 2.91Å; T543-S546 PolarHBondContact OG1-OG 3.46Å; S546-L562 CarbonylContact C-O 3.58Å; S546-L562 VanDerWaalsContact CA-O 3.28Å; S546-L562 WeakPolarHBondContact CA-O 3.45Å
547L94.4Very high90.2Very high1 Ų148 Ų481%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-101.1104.8161.1-175.766000108.5F540 L542 L562 L564 I585 L602F540-L547 HydrophobicContact CD1-CD1 3.73Å; F540-L547 HydrophobicContact CD1-CD2 4.05Å; F540-L547 HydrophobicContact CD1-CG 3.79Å; F540-L547 HydrophobicContact CE1-CD2 4.05Å; F540-L547 HydrophobicContact CE1-CG 4.17Å; L542-L547 HydrophobicContact CB-CD1 3.98Å; L542-L547 HydrophobicContact CD1-CB 4.3Å; L542-L547 HydrophobicContact CD1-CD1 4.01Å; L547-L562 HydrophobicContact CB-CB 4.46Å; L547-L562 PolarHBondContact N-O 2.67Å; L547-L562 WeakPolarHBondContact O-CB 3.39Å; L547-L562 PolarHBondContact O-N 2.72Å; L547-L564 HydrophobicContact CB-CD2 3.86Å; L547-I585 HydrophobicContact CD2-CD1 3.75Å; L547-L602 HydrophobicContact CD2-CD1 4.3Å
548S94.1Very high90.2Very high4 Ų448.4 Ų48.43%0.02823%0.231CC..EExtended strand (participates in β ladder)trans-97.7152.8173.7-67.50000110.7F540 V541 K558 Y560F540-S548 WeakPolarHBondContact CA-O 3.39Å; V541-S548 PolarHBondContact N-O 3.49Å; V541-S548 PolarHBondContact O-N 3.17Å; S548-K558 PolarHBondContact OG-NZ 3.22Å; S548-Y560 WeakPolarHBondContact CA-O 3.32Å
549W93.7Very high90Very high0 Ų050.7 Ų50.70%024%0.242CC..EExtended strand (participates in β ladder)trans-141152.4166.563.797.8000113.6I525 Y538 W539 F540 K559 Y560 L562 Y594 L600I525-W549 HydrophobicContact CD1-CD2 4.35Å; I525-W549 HydrophobicContact CD1-CZ2 3.73Å; Y538-W549 AromaticContact CG-CD1 3.69Å; W539-W549 CarbonylContact O-C 3.49Å; W539-W549 WeakPolarHBondContact O-CA 3.4Å; W539-W549 WeakPolarHBondContact O-CB 3.39Å; F540-W549 HydrophobicContact CD1-CB 3.73Å; F540-W549 HydrophobicContact CD1-CD2 4.41Å; F540-W549 HydrophobicContact CD1-CE3 4.08Å; F540-W549 HydrophobicContact CD1-CG 4.35Å; F540-W549 HydrophobicContact CD2-CB 3.88Å; F540-W549 HydrophobicContact CE1-CB 3.8Å; F540-W549 AromaticContact CE1-CD2 3.72Å; F540-W549 HydrophobicContact CE1-CD2 3.72Å; F540-W549 AromaticContact CE1-CE3 3.45Å; F540-W549 HydrophobicContact CE1-CE3 3.45Å; F540-W549 VanDerWaalsContact CE1-CE3 3.45Å; F540-W549 AromaticContact CE1-CG 3.93Å; F540-W549 HydrophobicContact CE1-CG 3.93Å; F540-W549 HydrophobicContact CE1-CZ3 4.11Å; F540-W549 HydrophobicContact CE2-CB 3.95Å; F540-W549 HydrophobicContact CE2-CG 4.24Å; F540-W549 HydrophobicContact CG-CB 3.8Å; F540-W549 HydrophobicContact CZ-CB 3.92Å; F540-W549 AromaticContact CZ-CD2 3.9Å; F540-W549 HydrophobicContact CZ-CD2 3.9Å; F540-W549 HydrophobicContact CZ-CE3 4.08Å; F540-W549 AromaticContact CZ-CG 3.88Å; F540-W549 HydrophobicContact CZ-CG 3.88Å; W549-K559 PolarHBondContact O-N 3.28Å; W549-Y560 VanDerWaalsContact CE2-CB 3.48Å; W549-Y560 HydrophobicContact CE3-CD1 4.49Å; W549-Y560 AromaticContact CH2-CD1 3.33Å; W549-Y560 HydrophobicContact CH2-CD1 3.33Å; W549-Y560 HydrophobicContact CH2-CE1 4.2Å; W549-Y560 AromaticContact CH2-CG 3.83Å; W549-Y560 HydrophobicContact CH2-CG 3.83Å; W549-Y560 VanDerWaalsContact CZ2-CB 3.47Å; W549-Y560 AromaticContact CZ2-CD1 3.9Å; W549-Y560 HydrophobicContact CZ2-CD1 3.9Å; W549-Y560 AromaticContact CZ2-CG 3.9Å; W549-Y560 HydrophobicContact CZ2-CG 3.9Å; W549-Y560 AromaticContact CZ3-CD1 3.68Å; W549-Y560 HydrophobicContact CZ3-CD1 3.68Å; W549-Y560 HydrophobicContact CZ3-CG 4.29Å; W549-Y560 PolarHBondContact N-O 3.21Å; W549-Y560 VanDerWaalsContact N-O 3.09Å; W549-Y560 PolarHBondContact O-N 3.19Å; W549-L562 HydrophobicContact CZ3-CB 4.13Å; W549-Y594 AromaticContact CH2-CD2 3.74Å; W549-Y594 HydrophobicContact CH2-CD2 3.74Å; W549-Y594 HydrophobicContact CH2-CE2 4.04Å; W549-Y594 HydrophobicContact CH2-CG 4.23Å; W549-Y594 AromaticContact CZ2-CD2 3.6Å; W549-Y594 HydrophobicContact CZ2-CD2 3.6Å; W549-Y594 HydrophobicContact CZ2-CE1 4.37Å; W549-Y594 AromaticContact CZ2-CE2 3.41Å; W549-Y594 HydrophobicContact CZ2-CE2 3.41Å; W549-Y594 VanDerWaalsContact CZ2-CE2 3.41Å; W549-Y594 HydrophobicContact CZ2-CG 4.17Å; W549-Y594 AromaticContact CZ2-CZ 3.81Å; W549-L600 HydrophobicContact CH2-CD1 4.33Å; W549-L600 HydrophobicContact CH2-CD2 3.84Å; W549-L600 HydrophobicContact CZ3-CD2 3.98Å
550F93.3Very high89.8Confident15 Ų1552.7 Ų52.77%0.06625%0.25CC..EExtended strand (participates in β ladder)trans-125161.1-170.1-59.5-100.2000110.1Y538 W539 V541 D552 E555 E557 K558Y538-F550 WeakPolarHBondContact CB-O 3.36Å; Y538-F550 WeakPolarHBondContact CD1-O 3.2Å; W539-F550 HydrophobicContact CB-CB 4.47Å; W539-F550 PolarHBondContact N-O 3.14Å; W539-F550 VanDerWaalsContact N-O 3.12Å; W539-F550 PolarHBondContact O-N 2.88Å; V541-F550 HydrophobicContact CB-CE2 4.01Å; V541-F550 HydrophobicContact CG2-CD2 3.97Å; V541-F550 HydrophobicContact CG2-CE2 3.57Å; F550-D552 WeakPolarHBondContact CB-O 3.41Å; F550-D552 PolarHBondContact O-N 3.17Å; F550-E555 VanDerWaalsContact CD1-CA 3.49Å; F550-E555 HydrophobicContact CD1-CB 3.95Å; F550-E555 HydrophobicContact CD1-CG 4.21Å; F550-E555 VanDerWaalsContact CD1-O 3.23Å; F550-E555 WeakPolarHBondContact CD1-O 3.46Å; F550-E555 HydrophobicContact CD2-CG 3.96Å; F550-E555 HydrophobicContact CE1-CB 3.88Å; F550-E555 HydrophobicContact CE1-CG 4.25Å; F550-E555 WeakPolarHBondContact CE1-O 3.39Å; F550-E555 HydrophobicContact CE2-CG 4.04Å; F550-E555 HydrophobicContact CG-CB 4.29Å; F550-E555 HydrophobicContact CG-CG 4.05Å; F550-E555 HydrophobicContact CZ-CB 4.17Å; F550-E555 HydrophobicContact CZ-CG 4.16Å; F550-E557 VanDerWaalsContact CA-O 3.31Å; F550-E557 WeakPolarHBondContact CA-O 3.5Å; F550-K558 VanDerWaalsContact CD1-CA 3.48Å; F550-K558 HydrophobicContact CD1-CB 3.79Å; F550-K558 HydrophobicContact CD1-CG 4.35Å; F550-K558 HydrophobicContact CE1-CB 3.64Å; F550-K558 HydrophobicContact CE1-CD 4.5Å; F550-K558 HydrophobicContact CE1-CG 4.07Å; F550-K558 HydrophobicContact CZ-CB 4.37Å; F550-K558 HydrophobicContact CZ-CD 4.44Å; F550-K558 HydrophobicContact CZ-CG 4.32Å
551K88.8Confident89.6Confident114 Ų11457.4 Ų57.450%0.49627%0.273SS..SBendtrans-60-38.5174.8-172.2-177.7154.7-128.50112.4E557K551-E557 HydrophobicContact CB-CB 4.26Å; K551-E557 VanDerWaalsContact CD-OE2 3.27Å; K551-E557 WeakPolarHBondContact CD-OE2 3.44Å; K551-E557 PolarHBondContact N-O 3.33Å; K551-E557 VanDerWaalsContact N-O 3.08Å
552D89.1Confident89.4Confident31 Ų3157.4 Ų57.417%0.16627%0.273CS..SBendtrans-150.6166.2-168.431.850000109.8F550 E554 E555F550-D552 WeakPolarHBondContact CB-O 3.41Å; F550-D552 PolarHBondContact O-N 3.17Å; D552-E554 PolarHBondContact O-N 3.4Å; D552-E555 PolarHBondContact O-N 3.21Å
553D87.8Confident89.2Confident97 Ų9760.9 Ų60.952%0.51930%0.295SS..THydrogen-bonded Turntrans-71.7-9.5178.862.6-41000113.7W522 W539 E555W522-D553 HydrophobicContact CZ2-CB 4.14Å; W539-D553 HydrophobicContact CD2-CB 3.76Å; W539-D553 HydrophobicContact CE3-CB 3.98Å; W539-D553 HydrophobicContact CG-CB 4.08Å; W539-D553 HydrophobicContact CH2-CB 4.49Å; W539-D553 HydrophobicContact CZ2-CB 4.3Å; W539-D553 HydrophobicContact CZ3-CB 4.33Å; D553-E555 PolarHBondContact O-N 3.19Å
554E86Confident89.2Confident116 Ų11661 Ų6154%0.54230%0.296SS..THydrogen-bonded Turntrans-66-13.7167.8-59.3-161.2122.900113.3D552 K556D552-E554 PolarHBondContact O-N 3.4Å; E554-K556 HydrophobicContact CB-CD 4.13Å; E554-K556 HydrophobicContact CB-CG 4.11Å; E554-K556 PolarHBondContact O-N 3.3Å; E554-K556 IonicContact OE1-NZ 3.44Å; E554-K556 PolarHBondContact OE1-NZ 2.78Å; E554-K556 WeakPolarHBondContact OE2-CD 3.43Å; E554-K556 WeakPolarHBondContact OE2-CE 3.48Å; E554-K556 IonicContact OE2-NZ 3.57Å; E554-K556 PolarHBondContact OE2-NZ 3.4Å
555E86.8Confident89.3Confident60 Ų6064.4 Ų64.428%0.2831%0.308SS..  trans56.716178.2-71.1173.4-153.600115.2K520 W539 V541 F550 D552 D553K520-E555 VanDerWaalsContact CD-OE1 3.28Å; K520-E555 WeakPolarHBondContact CD-OE1 3.43Å; K520-E555 VanDerWaalsContact CE-OE1 3.31Å; K520-E555 WeakPolarHBondContact CE-OE1 3.46Å; K520-E555 IonicContact NZ-OE1 2.71Å; K520-E555 PolarHBondContact NZ-OE1 3.2Å; K520-E555 IonicContact NZ-OE2 3.98Å; K520-E555 PolarHBondContact NZ-OE2 2.86Å; W539-E555 PolarHBondContact NE1-OE1 3Å; V541-E555 HydrophobicContact CG2-CG 4.43Å; F550-E555 VanDerWaalsContact CD1-CA 3.49Å; F550-E555 HydrophobicContact CD1-CB 3.95Å; F550-E555 HydrophobicContact CD1-CG 4.21Å; F550-E555 VanDerWaalsContact CD1-O 3.23Å; F550-E555 WeakPolarHBondContact CD1-O 3.46Å; F550-E555 HydrophobicContact CD2-CG 3.96Å; F550-E555 HydrophobicContact CE1-CB 3.88Å; F550-E555 HydrophobicContact CE1-CG 4.25Å; F550-E555 WeakPolarHBondContact CE1-O 3.39Å; F550-E555 HydrophobicContact CE2-CG 4.04Å; F550-E555 HydrophobicContact CG-CB 4.29Å; F550-E555 HydrophobicContact CG-CG 4.05Å; F550-E555 HydrophobicContact CZ-CB 4.17Å; F550-E555 HydrophobicContact CZ-CG 4.16Å; D552-E555 PolarHBondContact O-N 3.21Å; D553-E555 PolarHBondContact O-N 3.19Å
556K83.9Confident89.4Confident154 Ų15464 Ų6467%0.6731%0.309SS*.  trans-73.2-38.4-178.9-67.1173.4-168.5158.10113E554E554-K556 HydrophobicContact CB-CD 4.13Å; E554-K556 HydrophobicContact CB-CG 4.11Å; E554-K556 PolarHBondContact O-N 3.3Å; E554-K556 IonicContact OE1-NZ 3.44Å; E554-K556 PolarHBondContact OE1-NZ 2.78Å; E554-K556 WeakPolarHBondContact OE2-CD 3.43Å; E554-K556 WeakPolarHBondContact OE2-CE 3.48Å; E554-K556 IonicContact OE2-NZ 3.57Å; E554-K556 PolarHBondContact OE2-NZ 3.4Å
557E88.1Confident89.3Confident90 Ų9063.9 Ų63.942%0.42131%0.308SS..SBendtrans-115.590.4-176.3-159.1-162.9168.900112F550 K551 K559F550-E557 VanDerWaalsContact CA-O 3.31Å; F550-E557 WeakPolarHBondContact CA-O 3.5Å; K551-E557 HydrophobicContact CB-CB 4.26Å; K551-E557 VanDerWaalsContact CD-OE2 3.27Å; K551-E557 WeakPolarHBondContact CD-OE2 3.44Å; K551-E557 PolarHBondContact N-O 3.33Å; K551-E557 VanDerWaalsContact N-O 3.08Å; E557-K559 VanDerWaalsContact CD-CE 3.45Å; E557-K559 PolarHBondContact O-N 2.92Å; E557-K559 WeakPolarHBondContact OE1-CE 3.22Å; E557-K559 IonicContact OE1-NZ 3.73Å; E557-K559 PolarHBondContact OE1-NZ 3.27Å; E557-K559 VanDerWaalsContact OE2-CE 3.24Å; E557-K559 WeakPolarHBondContact OE2-CE 3.42Å; E557-K559 IonicContact OE2-NZ 3.6Å; E557-K559 PolarHBondContact OE2-NZ 2.77Å
558K90.5Very high89Confident99 Ų9967 Ų6743%0.4332%0.321SS..EExtended strand (participates in β ladder)trans-68.7117.2174-171.2174.1-64.3-162.90110.4S548 F550 M561S548-K558 PolarHBondContact OG-NZ 3.22Å; F550-K558 VanDerWaalsContact CD1-CA 3.48Å; F550-K558 HydrophobicContact CD1-CB 3.79Å; F550-K558 HydrophobicContact CD1-CG 4.35Å; F550-K558 HydrophobicContact CE1-CB 3.64Å; F550-K558 HydrophobicContact CE1-CD 4.5Å; F550-K558 HydrophobicContact CE1-CG 4.07Å; F550-K558 HydrophobicContact CZ-CB 4.37Å; F550-K558 HydrophobicContact CZ-CD 4.44Å; F550-K558 HydrophobicContact CZ-CG 4.32Å; K558-M561 HydrophobicContact CD-CB 4.41Å; K558-M561 HydrophobicContact CD-CE 4.27Å; K558-M561 VanDerWaalsContact NZ-CE 3.27Å
559K89.6Confident88.9Confident81 Ų8167.1 Ų67.135%0.35232%0.321SS..EExtended strand (participates in β ladder)trans-85.7-33.5-179-65.2-67.8175.4-177.20112.8Y538 W549 E557Y538-K559 HydrophobicContact CD1-CG 4.25Å; Y538-K559 HydrophobicContact CE1-CG 4.04Å; W549-K559 PolarHBondContact O-N 3.28Å; E557-K559 VanDerWaalsContact CD-CE 3.45Å; E557-K559 PolarHBondContact O-N 2.92Å; E557-K559 WeakPolarHBondContact OE1-CE 3.22Å; E557-K559 IonicContact OE1-NZ 3.73Å; E557-K559 PolarHBondContact OE1-NZ 3.27Å; E557-K559 VanDerWaalsContact OE2-CE 3.24Å; E557-K559 WeakPolarHBondContact OE2-CE 3.42Å; E557-K559 IonicContact OE2-NZ 3.6Å; E557-K559 PolarHBondContact OE2-NZ 2.77Å
560Y90.3Very high88.6Confident85 Ų8571.8 Ų71.833%0.33334%0.339SS..EExtended strand (participates in β ladder)trans-159.5162176.6-153.8-110.3000111.6S548 W549 L562 Y594S548-Y560 WeakPolarHBondContact CA-O 3.32Å; W549-Y560 VanDerWaalsContact CE2-CB 3.48Å; W549-Y560 HydrophobicContact CE3-CD1 4.49Å; W549-Y560 AromaticContact CH2-CD1 3.33Å; W549-Y560 HydrophobicContact CH2-CD1 3.33Å; W549-Y560 HydrophobicContact CH2-CE1 4.2Å; W549-Y560 AromaticContact CH2-CG 3.83Å; W549-Y560 HydrophobicContact CH2-CG 3.83Å; W549-Y560 VanDerWaalsContact CZ2-CB 3.47Å; W549-Y560 AromaticContact CZ2-CD1 3.9Å; W549-Y560 HydrophobicContact CZ2-CD1 3.9Å; W549-Y560 AromaticContact CZ2-CG 3.9Å; W549-Y560 HydrophobicContact CZ2-CG 3.9Å; W549-Y560 AromaticContact CZ3-CD1 3.68Å; W549-Y560 HydrophobicContact CZ3-CD1 3.68Å; W549-Y560 HydrophobicContact CZ3-CG 4.29Å; W549-Y560 PolarHBondContact N-O 3.21Å; W549-Y560 VanDerWaalsContact N-O 3.09Å; W549-Y560 PolarHBondContact O-N 3.19Å; Y560-L562 HydrophobicContact CD1-CB 4.18Å; Y560-L562 HydrophobicContact CE1-CB 4.17Å; Y560-Y594 AromaticContact CD1-CD2 3.92Å; Y560-Y594 HydrophobicContact CD1-CD2 3.92Å; Y560-Y594 HydrophobicContact CD1-CE2 4.24Å; Y560-Y594 HydrophobicContact CD2-CD2 4.08Å; Y560-Y594 AromaticContact CD2-CE2 3.81Å; Y560-Y594 HydrophobicContact CD2-CE2 3.81Å; Y560-Y594 AromaticContact CE1-CD2 3.9Å; Y560-Y594 HydrophobicContact CE1-CD2 3.9Å; Y560-Y594 HydrophobicContact CE2-CD2 4.08Å; Y560-Y594 HydrophobicContact CE2-CE2 4.16Å; Y560-Y594 HydrophobicContact CG-CD2 4Å; Y560-Y594 AromaticContact CG-CE2 3.85Å; Y560-Y594 HydrophobicContact CG-CE2 3.85Å; Y560-Y594 AromaticContact CZ-CD2 3.98Å
561M90.9Very high88.1Confident99 Ų9975.3 Ų75.349%0.48836%0.359SS..EExtended strand (participates in β ladder)trans-136.8119.3168.2177-174.8-72.400107.4K558K558-M561 HydrophobicContact CD-CB 4.41Å; K558-M561 HydrophobicContact CD-CE 4.27Å; K558-M561 VanDerWaalsContact NZ-CE 3.27Å
562L91.1Very high87.7Confident10 Ų1072.1 Ų72.15%0.05235%0.348CS..EExtended strand (participates in β ladder)trans-106.7112.9178.4171.458.7000108.8S546 L547 W549 Y560 L567 V593 L600S546-L562 CarbonylContact C-O 3.58Å; S546-L562 VanDerWaalsContact CA-O 3.28Å; S546-L562 WeakPolarHBondContact CA-O 3.45Å; L547-L562 HydrophobicContact CB-CB 4.46Å; L547-L562 PolarHBondContact N-O 2.67Å; L547-L562 WeakPolarHBondContact O-CB 3.39Å; L547-L562 PolarHBondContact O-N 2.72Å; W549-L562 HydrophobicContact CZ3-CB 4.13Å; Y560-L562 HydrophobicContact CD1-CB 4.18Å; Y560-L562 HydrophobicContact CE1-CB 4.17Å; L562-L567 HydrophobicContact CD1-CD1 3.99Å; L562-L567 HydrophobicContact CD2-CD1 3.75Å; L562-L567 HydrophobicContact CG-CD1 3.73Å; L562-V593 HydrophobicContact CD1-CG1 3.96Å; L562-V593 HydrophobicContact CD2-CG1 3.52Å; L562-V593 HydrophobicContact CG-CG1 4.4Å; L562-L600 HydrophobicContact CD2-CD2 4.01Å
563P90Very high86.7Confident73 Ų7379 Ų7947%0.47438%0.38SS..EExtended strand (participates in β ladder)trans-59.4143169.5-21.733.6000110.7D565 L567P563-D565 VanDerWaalsContact C-N 3.32Å; P563-L567 WeakPolarHBondContact O-CD1 3.46Å
564L88.9Confident85.4Confident12 Ų1279.8 Ų79.86%0.06338%0.378CS..  trans-82.9-9.2-176.7-58.6-177.7000114.3L542 T543 E545 L547 N566 L567 A620 V622L542-L564 HydrophobicContact CD1-CD1 3.82Å; L542-L564 HydrophobicContact CD1-CD2 4.2Å; T543-L564 WeakPolarHBondContact O-CD1 3.28Å; E545-L564 PolarHBondContact O-N 2.78Å; E545-L564 VanDerWaalsContact O-N 3.12Å; L547-L564 HydrophobicContact CB-CD2 3.86Å; L564-N566 PolarHBondContact O-N 2.92Å; L564-L567 HydrophobicContact CD2-CD1 4.32Å; L564-L567 WeakPolarHBondContact O-CB 3.31Å; L564-L567 PolarHBondContact O-N 3.38Å; L564-A620 HydrophobicContact CD1-CB 3.44Å; L564-A620 VanDerWaalsContact CD1-CB 3.44Å; L564-A620 WeakPolarHBondContact CD1-O 3.06Å; L564-V622 HydrophobicContact CB-CG2 3.96Å; L564-V622 HydrophobicContact CD1-CG2 4.23Å; L564-V622 HydrophobicContact CD2-CG2 3.93Å; L564-V622 HydrophobicContact CG-CG2 4.24Å
565D83.8Confident84.2Confident111 Ų11177.9 Ų77.959%0.59438%0.378SS*.THydrogen-bonded Turntrans-54.6131.6179.7-65.1-39.8000112.1P563 L567P563-D565 VanDerWaalsContact C-N 3.32Å; D565-L567 PolarHBondContact O-N 3.1Å
566N84.6Confident82.6Confident80 Ų8085.1 Ų85.143%0.42841%0.409SS..THydrogen-bonded Turntrans57.224.8178.6-63.1-25.7000114.7L564 N587 T588 E589L564-N566 PolarHBondContact O-N 2.92Å; N566-N587 CarbonylContact O-C 3.55Å; N566-N587 WeakPolarHBondContact O-CA 3.47Å; N566-N587 PolarHBondContact O-ND2 3.35Å; N566-T588 PolarHBondContact O-N 3.44Å; N566-T588 PolarHBondContact O-OG1 2.83Å; N566-E589 PolarHBondContact ND2-OE1 3.46Å
567L89.6Confident81.3Confident10 Ų1086.6 Ų86.65%0.05242%0.42CS..EExtended strand (participates in β ladder)trans-93.5146.6173.4-59.7-171.9000112.6L562 P563 L564 D565 I585 F586 N587 V593 V622L562-L567 HydrophobicContact CD1-CD1 3.99Å; L562-L567 HydrophobicContact CD2-CD1 3.75Å; L562-L567 HydrophobicContact CG-CD1 3.73Å; P563-L567 WeakPolarHBondContact O-CD1 3.46Å; L564-L567 HydrophobicContact CD2-CD1 4.32Å; L564-L567 WeakPolarHBondContact O-CB 3.31Å; L564-L567 PolarHBondContact O-N 3.38Å; D565-L567 PolarHBondContact O-N 3.1Å; L567-I585 HydrophobicContact CB-CG2 3.94Å; L567-I585 HydrophobicContact CD1-CG2 3.79Å; L567-I585 HydrophobicContact CD2-CG2 4.4Å; L567-I585 HydrophobicContact CG-CG2 4.28Å; L567-F586 WeakPolarHBondContact CA-O 3.5Å; L567-N587 HydrophobicContact CD2-CB 3.98Å; L567-V593 HydrophobicContact CD2-CG2 3.93Å; L567-V622 HydrophobicContact CB-CG1 3.87Å; L567-V622 HydrophobicContact CB-CG2 4.37Å
568K88.6Confident80.1Confident67 Ų6783.8 Ų83.829%0.29141%0.411SS..EExtended strand (participates in β ladder)trans-129.7153.6166.9-81.3-173.6172.8-179.30110.9I585 F586 T588 Y623 D625K568-I585 CarbonylContact O-C 3.49Å; K568-I585 WeakPolarHBondContact O-CA 3.29Å; K568-F586 HydrophobicContact CB-CD1 4.19Å; K568-F586 HydrophobicContact CB-CE1 3.58Å; K568-F586 HydrophobicContact CB-CE2 4.28Å; K568-F586 HydrophobicContact CB-CZ 3.65Å; K568-F586 HydrophobicContact CD-CZ 3.99Å; K568-F586 HydrophobicContact CG-CZ 4.48Å; K568-F586 PolarHBondContact N-O 2.99Å; K568-F586 WeakPolarHBondContact O-CD1 3.48Å; K568-F586 PolarHBondContact O-N 3.14Å; K568-T588 HydrophobicContact CB-CG2 4.34Å; K568-T588 HydrophobicContact CD-CG2 3.73Å; K568-T588 HydrophobicContact CG-CG2 3.71Å; K568-Y623 CarbonylContact C-O 3.42Å; K568-Y623 VanDerWaalsContact CA-O 3.25Å; K568-Y623 WeakPolarHBondContact CA-O 3.32Å; K568-Y623 WeakPolarHBondContact CB-O 3.3Å; K568-D625 HydrophobicContact CD-CB 4.11Å; K568-D625 WeakPolarHBondContact CD-OD1 3.47Å; K568-D625 IonicContact NZ-OD1 2.78Å; K568-D625 PolarHBondContact NZ-OD1 2.89Å
569V91.1Very high79.2Confident5 Ų584 Ų843%0.0342%0.424CS..EExtended strand (participates in β ladder)trans-94.7144.6168.7-174.80000109.5F583 S584 I585 K614 L617 V622 Y623 P624 D625V569-F583 HydrophobicContact CG1-CB 4.23Å; V569-F583 HydrophobicContact CG1-CD2 3.77Å; V569-F583 HydrophobicContact CG1-CG 4.41Å; V569-S584 CarbonylContact C-O 3.56Å; V569-S584 WeakPolarHBondContact CA-O 3.49Å; V569-I585 HydrophobicContact CG2-CG1 4.49Å; V569-K614 HydrophobicContact CG1-CG 4.26Å; V569-L617 HydrophobicContact CG2-CB 4.32Å; V569-L617 HydrophobicContact CG2-CD1 4.01Å; V569-V622 HydrophobicContact CG2-CG1 3.76Å; V569-Y623 PolarHBondContact N-O 3Å; V569-P624 CarbonylContact O-C 3.53Å; V569-P624 VanDerWaalsContact O-CA 3.26Å; V569-P624 WeakPolarHBondContact O-CA 3.07Å; V569-D625 PolarHBondContact O-N 3.42Å
570R88.6Confident78.6Confident99 Ų9982.5 Ų82.537%0.37442%0.418SS..EExtended strand (participates in β ladder)trans-136.2151.1161.865.5-177.4-62.51507.8110.7S584 F586 D625R570-S584 WeakPolarHBondContact CG-OG 3.42Å; R570-S584 PolarHBondContact N-O 3.02Å; R570-S584 PolarHBondContact O-N 2.86Å; R570-F586 HydrophobicContact CB-CD1 4.41Å; R570-F586 HydrophobicContact CB-CE1 3.97Å; R570-F586 HydrophobicContact CG-CD1 3.98Å; R570-F586 HydrophobicContact CG-CE1 4.01Å; R570-D625 HydrophobicContact CB-CB 4.32Å
571D82.9Confident78.4Confident89 Ų8980.8 Ų80.848%0.47641%0.413SS..EExtended strand (participates in β ladder)trans-66.7146.2167.8-82.1-71.6000111.1K614D571-K614 WeakPolarHBondContact OD1-CE 3.47Å; D571-K614 IonicContact OD1-NZ 3.19Å; D571-K614 PolarHBondContact OD1-NZ 3Å; D571-K614 IonicContact OD2-NZ 3.57Å; D571-K614 PolarHBondContact OD2-NZ 3.39Å
572V80.4Confident78.2Confident46 Ų4676.9 Ų76.928%0.27939%0.394SS..  trans-116.5128.2174.8-1780000106.5K574 I582 S584V572-K574 PolarHBondContact O-N 3.39Å; V572-I582 HydrophobicContact CB-CB 4.35Å; V572-I582 HydrophobicContact CB-CG2 4.06Å; V572-I582 HydrophobicContact CG1-CG2 4.39Å; V572-I582 HydrophobicContact CG2-CG2 4.22Å; V572-S584 WeakPolarHBondContact CG2-OG 3.49Å
573E67.1Low78.2Confident177 Ų17776.4 Ų76.483%0.82739%0.391SS*.  trans-60.3135.2179.7-67.7-175.9170.500110.8S575E573-S575 PolarHBondContact O-N 3.14Å
574K61.6Low78.2Confident113 Ų11373.1 Ų73.149%0.49137%0.37SS..  trans-67.1103.2-178.4-172.8170.1-171.6163.90109.2V572 F576 S578 S579 H581V572-K574 PolarHBondContact O-N 3.39Å; K574-F576 PolarHBondContact O-N 2.81Å; K574-S578 WeakPolarHBondContact CE-O 3.46Å; K574-S579 PolarHBondContact NZ-O 3.15Å; K574-H581 PolarHBondContact NZ-NE2 3.42Å
575S59.8Low78.4Confident76 Ų7672.6 Ų72.653%0.53137%0.368SS..  trans-53.2136.1171.7178.50000110.1E573 M577 S578E573-S575 PolarHBondContact O-N 3.14Å; S575-M577 PolarHBondContact O-N 3.38Å; S575-S578 PolarHBondContact O-N 2.84Å
576F53.4Low78.7Confident211 Ų21169 Ų6993%0.92535%0.347SS*.THydrogen-bonded Turntrans-58.4-12.6-171.1-159.3-95.7000114.5K574K574-F576 PolarHBondContact O-N 2.81Å
577M56.1Low78.9Confident185 Ų18566.1 Ų66.191%0.91133%0.331SS*.THydrogen-bonded Turntrans-110.81.8178.7-63.4-178.9172.700114.3S575S575-M577 PolarHBondContact O-N 3.38Å
578S64.1Low78.5Confident32 Ų3268.9 Ų68.922%0.22435%0.348CS..  trans-95.9124.1179-176.50000112K574 S575 K580K574-S578 WeakPolarHBondContact CE-O 3.46Å; S575-S578 PolarHBondContact O-N 2.84Å; S578-K580 PolarHBondContact OG-N 2.77Å; S578-K580 PolarHBondContact OG-O 2.63Å; S578-K580 VanDerWaalsContact OG-O 3.1Å
579S70.3Confident78.2Confident102 Ų10270.3 Ų70.371%0.71336%0.356SS*.  trans-73.9-40.6169.252.50000112.2K574K574-S579 PolarHBondContact NZ-O 3.15Å
580K78.1Confident77.3Confident50 Ų5074.2 Ų74.222%0.21738%0.384CS..SBendtrans-70.8150.1-178-63.4-155.2-178.4-142.70112.9T524 E537 S578 A603 C604 D605T524-K580 PolarHBondContact OG1-NZ 2.72Å; T524-K580 VanDerWaalsContact OG1-NZ 3.1Å; E537-K580 IonicContact OE1-NZ 3.59Å; E537-K580 PolarHBondContact OE1-NZ 3.24Å; S578-K580 PolarHBondContact OG-N 2.77Å; S578-K580 PolarHBondContact OG-O 2.63Å; S578-K580 VanDerWaalsContact OG-O 3.1Å; K580-A603 HydrophobicContact CB-CB 4.02Å; K580-A603 HydrophobicContact CD-CB 4.22Å; K580-C604 WeakPolarHBondContact CA-O 3.31Å; K580-C604 WeakPolarHBondContact CB-O 3.47Å; K580-D605 WeakPolarHBondContact CD-OD1 3.5Å; K580-D605 WeakPolarHBondContact CE-OD1 3.29Å; K580-D605 IonicContact NZ-OD1 3.13Å; K580-D605 PolarHBondContact NZ-OD1 3.36Å; K580-D605 IonicContact NZ-OD2 2.69Å
581H84.6Confident77Confident49 Ų4976.9 Ų76.923%0.22739%0.394CS..EExtended strand (participates in β ladder)trans-91.3131.8177.2-70.1-112.6000109.6K574 A603 C604 Q607 V610K574-H581 PolarHBondContact NZ-NE2 3.42Å; H581-A603 CarbonylContact O-C 3.59Å; H581-A603 VanDerWaalsContact O-CA 3.25Å; H581-A603 WeakPolarHBondContact O-CA 3.46Å; H581-C604 PolarHBondContact N-O 3.01Å; H581-C604 PolarHBondContact O-N 2.62Å; H581-Q607 PolarHBondContact ND1-OE1 2.88Å; H581-V610 HydrophobicContact CB-CG2 3.59Å
582I87.5Confident77Confident17 Ų1776.6 Ų76.69%0.08739%0.392CS..EExtended strand (participates in β ladder)trans-124.1136.7-165.9-50.7179.3000111.1V572 E601 L602 A603V572-I582 HydrophobicContact CB-CB 4.35Å; V572-I582 HydrophobicContact CB-CG2 4.06Å; V572-I582 HydrophobicContact CG1-CG2 4.39Å; V572-I582 HydrophobicContact CG2-CG2 4.22Å; I582-E601 HydrophobicContact CG2-CB 4.3Å; I582-L602 WeakPolarHBondContact CA-O 3.46Å; I582-A603 HydrophobicContact CG1-CB 3.92Å
583F90.9Very high77.2Confident0 Ų074.5 Ų74.50%038%0.38CS..EExtended strand (participates in β ladder)trans-127.9160.6163.966.1-82.3000109.6L523 V569 I585 L602 V610 W613 L617L523-F583 HydrophobicContact CD1-CZ 4.5Å; L523-F583 HydrophobicContact CD2-CE1 4.49Å; V569-F583 HydrophobicContact CG1-CB 4.23Å; V569-F583 HydrophobicContact CG1-CD2 3.77Å; V569-F583 HydrophobicContact CG1-CG 4.41Å; F583-I585 HydrophobicContact CE2-CD1 4.43Å; F583-I585 HydrophobicContact CE2-CG1 4.29Å; F583-L602 HydrophobicContact CD1-CB 4.38Å; F583-L602 HydrophobicContact CD2-CB 4.45Å; F583-L602 HydrophobicContact CE1-CB 3.88Å; F583-L602 HydrophobicContact CE2-CB 3.97Å; F583-L602 HydrophobicContact CE2-CD1 3.73Å; F583-L602 HydrophobicContact CE2-CG 4.41Å; F583-L602 HydrophobicContact CZ-CB 3.67Å; F583-L602 HydrophobicContact CZ-CD1 3.83Å; F583-L602 HydrophobicContact CZ-CG 4.39Å; F583-L602 PolarHBondContact N-O 3.06Å; F583-L602 PolarHBondContact O-N 3.33Å; F583-L602 VanDerWaalsContact O-O 3.1Å; F583-V610 HydrophobicContact CB-CG1 4.35Å; F583-V610 HydrophobicContact CD1-CB 4.46Å; F583-V610 HydrophobicContact CD1-CG1 3.86Å; F583-V610 HydrophobicContact CD1-CG2 4.2Å; F583-V610 HydrophobicContact CG-CG1 4.42Å; F583-W613 HydrophobicContact CE1-CB 4.24Å; F583-W613 HydrophobicContact CZ-CB 4.1Å; F583-L617 HydrophobicContact CE2-CD1 3.59Å; F583-L617 HydrophobicContact CZ-CD1 4.19Å
584S91Very high77.9Confident5 Ų566.7 Ų66.74%0.03534%0.343CS..EExtended strand (participates in β ladder)trans-127.1143.9177.262.90000112.5V569 R570 V572 L600V569-S584 CarbonylContact C-O 3.56Å; V569-S584 WeakPolarHBondContact CA-O 3.49Å; R570-S584 WeakPolarHBondContact CG-OG 3.42Å; R570-S584 PolarHBondContact N-O 3.02Å; R570-S584 PolarHBondContact O-N 2.86Å; V572-S584 WeakPolarHBondContact CG2-OG 3.49Å; S584-L600 CarbonylContact C-O 3.52Å; S584-L600 VanDerWaalsContact CA-O 3.3Å; S584-L600 WeakPolarHBondContact CA-O 3.42Å
585I92.3Very high78.9Confident1 Ų166.3 Ų66.31%0.00534%0.341CS..EExtended strand (participates in β ladder)trans-104.2132.3173.1-51.9-179.3000108L547 L567 K568 V569 F583 T599 L600 L602 L617L547-I585 HydrophobicContact CD2-CD1 3.75Å; L567-I585 HydrophobicContact CB-CG2 3.94Å; L567-I585 HydrophobicContact CD1-CG2 3.79Å; L567-I585 HydrophobicContact CD2-CG2 4.4Å; L567-I585 HydrophobicContact CG-CG2 4.28Å; K568-I585 CarbonylContact O-C 3.49Å; K568-I585 WeakPolarHBondContact O-CA 3.29Å; V569-I585 HydrophobicContact CG2-CG1 4.49Å; F583-I585 HydrophobicContact CE2-CD1 4.43Å; F583-I585 HydrophobicContact CE2-CG1 4.29Å; I585-T599 CarbonylContact O-C 3.56Å; I585-T599 VanDerWaalsContact O-CA 3.29Å; I585-T599 WeakPolarHBondContact O-CA 3.47Å; I585-L600 HydrophobicContact CB-CB 4.5Å; I585-L600 PolarHBondContact N-O 3.1Å; I585-L600 PolarHBondContact O-N 3.3Å; I585-L602 HydrophobicContact CD1-CD1 3.63Å; I585-L602 HydrophobicContact CG1-CD1 4.15Å; I585-L617 HydrophobicContact CD1-CD1 3.91Å; I585-L617 HydrophobicContact CD1-CD2 4.11Å
586F90Very high79.8Confident35 Ų3569.2 Ų69.215%0.15435%0.35CS..EExtended strand (participates in β ladder)trans-137.2155.6-179.872.4-82.6000111.1L567 K568 R570 T599 D625L567-F586 WeakPolarHBondContact CA-O 3.5Å; K568-F586 HydrophobicContact CB-CD1 4.19Å; K568-F586 HydrophobicContact CB-CE1 3.58Å; K568-F586 HydrophobicContact CB-CE2 4.28Å; K568-F586 HydrophobicContact CB-CZ 3.65Å; K568-F586 HydrophobicContact CD-CZ 3.99Å; K568-F586 HydrophobicContact CG-CZ 4.48Å; K568-F586 PolarHBondContact N-O 2.99Å; K568-F586 WeakPolarHBondContact O-CD1 3.48Å; K568-F586 PolarHBondContact O-N 3.14Å; R570-F586 HydrophobicContact CB-CD1 4.41Å; R570-F586 HydrophobicContact CB-CE1 3.97Å; R570-F586 HydrophobicContact CG-CD1 3.98Å; R570-F586 HydrophobicContact CG-CE1 4.01Å; F586-T599 HydrophobicContact CB-CG2 3.99Å; F586-D625 HydrophobicContact CE1-CB 3.86Å; F586-D625 HydrophobicContact CZ-CB 3.76Å
587N88.1Confident81.1Confident20 Ų2061.3 Ų61.311%0.10732%0.318CS..EExtended strand (participates in β ladder)trans-92131.9177.9-170.9-84.3000110.9N566 L567 E589 S590 R591 V593N566-N587 CarbonylContact O-C 3.55Å; N566-N587 WeakPolarHBondContact O-CA 3.47Å; N566-N587 PolarHBondContact O-ND2 3.35Å; L567-N587 HydrophobicContact CD2-CB 3.98Å; N587-E589 VanDerWaalsContact C-N 3.28Å; N587-E589 PolarHBondContact O-N 2.91Å; N587-E589 WeakPolarHBondContact OD1-CA 3.49Å; N587-E589 WeakPolarHBondContact OD1-CB 3.49Å; N587-E589 PolarHBondContact OD1-N 2.96Å; N587-S590 PolarHBondContact O-N 3.21Å; N587-S590 VanDerWaalsContact O-N 3.11Å; N587-R591 HydrophobicContact CB-CB 4.24Å; N587-V593 HydrophobicContact CB-CG2 3.75Å; N587-V593 VanDerWaalsContact N-CG2 3.31Å
588T81.8Confident82.4Confident67 Ų6760.7 Ų60.741%0.41131%0.305SS..THydrogen-bonded Turntrans-68.6-24.1-176.854.90000113.5N566 K568 S590N566-T588 PolarHBondContact O-N 3.44Å; N566-T588 PolarHBondContact O-OG1 2.83Å; K568-T588 HydrophobicContact CB-CG2 4.34Å; K568-T588 HydrophobicContact CD-CG2 3.73Å; K568-T588 HydrophobicContact CG-CG2 3.71Å; T588-S590 PolarHBondContact O-N 2.92Å
589E82.1Confident83.5Confident98 Ų9861.3 Ų61.346%0.45831%0.308SS..THydrogen-bonded Turntrans-8714.7173.9-57.5-176.4179.100112.7N566 N587 R591N566-E589 PolarHBondContact ND2-OE1 3.46Å; N587-E589 VanDerWaalsContact C-N 3.28Å; N587-E589 PolarHBondContact O-N 2.91Å; N587-E589 WeakPolarHBondContact OD1-CA 3.49Å; N587-E589 WeakPolarHBondContact OD1-CB 3.49Å; N587-E589 PolarHBondContact OD1-N 2.96Å; E589-R591 HydrophobicContact CB-CG 4.18Å; E589-R591 PolarHBondContact O-N 3.49Å; E589-R591 VanDerWaalsContact O-N 3.13Å; E589-R591 IonicContact OE2-CZ 2.68Å; E589-R591 IonicContact OE2-NE 2.83Å; E589-R591 PolarHBondContact OE2-NE 3.28Å; E589-R591 IonicContact OE2-NH2 3.33Å; E589-R591 PolarHBondContact OE2-NH2 2.71Å
590S73.7Confident84.5Confident86 Ų8656.5 Ų56.560%0.60127%0.274SS*.  trans59.319.1-178-580000115.4N587 T588N587-S590 PolarHBondContact O-N 3.21Å; N587-S590 VanDerWaalsContact O-N 3.11Å; T588-S590 PolarHBondContact O-N 2.92Å
591R81.9Confident85Confident156 Ų15656.3 Ų56.359%0.58927%0.274SS*.  trans-70.7155.3171.8-57.3-175.6-170.4-150.66.3110.8N587 E589 V593N587-R591 HydrophobicContact CB-CB 4.24Å; E589-R591 HydrophobicContact CB-CG 4.18Å; E589-R591 PolarHBondContact O-N 3.49Å; E589-R591 VanDerWaalsContact O-N 3.13Å; E589-R591 IonicContact OE2-CZ 2.68Å; E589-R591 IonicContact OE2-NE 2.83Å; E589-R591 PolarHBondContact OE2-NE 3.28Å; E589-R591 IonicContact OE2-NH2 3.33Å; E589-R591 PolarHBondContact OE2-NH2 2.71Å; R591-V593 PolarHBondContact O-N 2.88Å
592N83.3Confident85.4Confident83 Ų8354 Ų5444%0.44426%0.263SS..  trans-68.1132.5172-66.9-7.2000110.3K595 D596 N597N592-K595 VanDerWaalsContact CB-O 3.27Å; N592-K595 WeakPolarHBondContact CB-O 3.36Å; N592-K595 PolarHBondContact ND2-O 3.32Å; N592-D596 WeakPolarHBondContact ND2-CA 3.36Å; N592-N597 CarbonylContact C-O 3.58Å; N592-N597 WeakPolarHBondContact CA-O 3.48Å
593V82.8Confident85.5Confident2 Ų253.3 Ų53.31%0.01226%0.26CS..SBendtrans-90-35.8179.9172.80000111.2L562 L567 N587 R591 N597 R598 L600L562-V593 HydrophobicContact CD1-CG1 3.96Å; L562-V593 HydrophobicContact CD2-CG1 3.52Å; L562-V593 HydrophobicContact CG-CG1 4.4Å; L567-V593 HydrophobicContact CD2-CG2 3.93Å; N587-V593 HydrophobicContact CB-CG2 3.75Å; N587-V593 VanDerWaalsContact N-CG2 3.31Å; R591-V593 PolarHBondContact O-N 2.88Å; V593-N597 PolarHBondContact N-O 2.8Å; V593-R598 WeakPolarHBondContact CG2-O 3.44Å; V593-L600 HydrophobicContact CG1-CB 3.78Å
594Y83.4Confident85.5Confident13 Ų1353.7 Ų53.75%0.05126%0.263CS..BIsolated β-bridgetrans-145.8114.7177.4-178.8-122.9000111.2W549 Y560 D596 N597 L600W549-Y594 AromaticContact CH2-CD2 3.74Å; W549-Y594 HydrophobicContact CH2-CD2 3.74Å; W549-Y594 HydrophobicContact CH2-CE2 4.04Å; W549-Y594 HydrophobicContact CH2-CG 4.23Å; W549-Y594 AromaticContact CZ2-CD2 3.6Å; W549-Y594 HydrophobicContact CZ2-CD2 3.6Å; W549-Y594 HydrophobicContact CZ2-CE1 4.37Å; W549-Y594 AromaticContact CZ2-CE2 3.41Å; W549-Y594 HydrophobicContact CZ2-CE2 3.41Å; W549-Y594 VanDerWaalsContact CZ2-CE2 3.41Å; W549-Y594 HydrophobicContact CZ2-CG 4.17Å; W549-Y594 AromaticContact CZ2-CZ 3.81Å; Y560-Y594 AromaticContact CD1-CD2 3.92Å; Y560-Y594 HydrophobicContact CD1-CD2 3.92Å; Y560-Y594 HydrophobicContact CD1-CE2 4.24Å; Y560-Y594 HydrophobicContact CD2-CD2 4.08Å; Y560-Y594 AromaticContact CD2-CE2 3.81Å; Y560-Y594 HydrophobicContact CD2-CE2 3.81Å; Y560-Y594 AromaticContact CE1-CD2 3.9Å; Y560-Y594 HydrophobicContact CE1-CD2 3.9Å; Y560-Y594 HydrophobicContact CE2-CD2 4.08Å; Y560-Y594 HydrophobicContact CE2-CE2 4.16Å; Y560-Y594 HydrophobicContact CG-CD2 4Å; Y560-Y594 AromaticContact CG-CE2 3.85Å; Y560-Y594 HydrophobicContact CG-CE2 3.85Å; Y560-Y594 AromaticContact CZ-CD2 3.98Å; Y594-D596 PolarHBondContact O-N 2.84Å; Y594-N597 PolarHBondContact N-O 3.3Å; Y594-N597 WeakPolarHBondContact O-CB 3.31Å; Y594-N597 PolarHBondContact O-N 2.82Å; Y594-L600 HydrophobicContact CD1-CD1 4.08Å; Y594-L600 HydrophobicContact CG-CD1 4.2Å
595K81.3Confident85.2Confident104 Ų10458.8 Ų58.845%0.45229%0.29SS..THydrogen-bonded Turntrans53.7-118.7-175-60.8164172.5156.50110.5N592N592-K595 VanDerWaalsContact CB-O 3.27Å; N592-K595 WeakPolarHBondContact CB-O 3.36Å; N592-K595 PolarHBondContact ND2-O 3.32Å
596D79.4Confident84.9Confident137 Ų13760.6 Ų60.673%0.73330%0.303SS*.THydrogen-bonded Turntrans-92.3-4.3-178.4-48.4-61.1000112.4N592 Y594N592-D596 WeakPolarHBondContact ND2-CA 3.36Å; Y594-D596 PolarHBondContact O-N 2.84Å
597N80.8Confident84.5Confident46 Ų4662.6 Ų62.625%0.24631%0.312CS..BIsolated β-bridgetrans-88.4131-178.2-64.7-20.6000111.6N527 N592 V593 Y594 T599N527-N597 VanDerWaalsContact CG-ND2 3.29Å; N527-N597 PolarHBondContact ND2-ND2 2.83Å; N527-N597 PolarHBondContact O-ND2 3.32Å; N527-N597 PolarHBondContact OD1-ND2 3.18Å; N592-N597 CarbonylContact C-O 3.58Å; N592-N597 WeakPolarHBondContact CA-O 3.48Å; V593-N597 PolarHBondContact N-O 2.8Å; Y594-N597 PolarHBondContact N-O 3.3Å; Y594-N597 WeakPolarHBondContact O-CB 3.31Å; Y594-N597 PolarHBondContact O-N 2.82Å; N597-T599 VanDerWaalsContact CB-O 3.26Å; N597-T599 WeakPolarHBondContact CB-O 3.2Å; N597-T599 PolarHBondContact O-N 2.75Å
598R84Confident84Confident172 Ų17267.7 Ų67.765%0.64934%0.34SS*.SBendtrans-71.7-16.9171.9-66.4-178.5-179.5174.6-0113.8V593V593-R598 WeakPolarHBondContact CG2-O 3.44Å
599T86.8Confident84.3Confident45 Ų4567.6 Ų67.628%0.27634%0.336SS..EExtended strand (participates in β ladder)trans-125.4157.7177.361.20000110.4N527 I585 F586 N597N527-T599 PolarHBondContact ND2-O 3.44Å; N527-T599 PolarHBondContact ND2-OG1 3.43Å; I585-T599 CarbonylContact O-C 3.56Å; I585-T599 VanDerWaalsContact O-CA 3.29Å; I585-T599 WeakPolarHBondContact O-CA 3.47Å; F586-T599 HydrophobicContact CB-CG2 3.99Å; N597-T599 VanDerWaalsContact CB-O 3.26Å; N597-T599 WeakPolarHBondContact CB-O 3.2Å; N597-T599 PolarHBondContact O-N 2.75Å
600L90.1Very high84.4Confident0 Ų063 Ų630%032%0.315CS..EExtended strand (participates in β ladder)trans-121.2108.1167176.766.7000107.5I525 W549 L562 S584 I585 V593 Y594 L602I525-L600 HydrophobicContact CD1-CD1 4.29Å; I525-L600 HydrophobicContact CG1-CD1 4.38Å; I525-L600 HydrophobicContact CG2-CD1 3.69Å; W549-L600 HydrophobicContact CH2-CD1 4.33Å; W549-L600 HydrophobicContact CH2-CD2 3.84Å; W549-L600 HydrophobicContact CZ3-CD2 3.98Å; L562-L600 HydrophobicContact CD2-CD2 4.01Å; S584-L600 CarbonylContact C-O 3.52Å; S584-L600 VanDerWaalsContact CA-O 3.3Å; S584-L600 WeakPolarHBondContact CA-O 3.42Å; I585-L600 HydrophobicContact CB-CB 4.5Å; I585-L600 PolarHBondContact N-O 3.1Å; I585-L600 PolarHBondContact O-N 3.3Å; V593-L600 HydrophobicContact CG1-CB 3.78Å; Y594-L600 HydrophobicContact CD1-CD1 4.08Å; Y594-L600 HydrophobicContact CG-CD1 4.2Å; L600-L602 HydrophobicContact CD1-CD2 4.47Å; L600-L602 HydrophobicContact CD2-CD1 4.4Å; L600-L602 HydrophobicContact CD2-CD2 4.26Å; L600-L602 HydrophobicContact CD2-CG 4.49Å; L600-L602 HydrophobicContact CG-CD2 4.07Å; L600-L602 HydrophobicContact CG-CG 4.2Å
601E90.3Very high84.9Confident46 Ų4662.1 Ų62.122%0.21530%0.304CS..EExtended strand (participates in β ladder)trans-85.9126.9176.8-72.7172.6-150.100110.9I525 N526 N527 I582I525-E601 WeakPolarHBondContact CA-O 3.37Å; N526-E601 HydrophobicContact CB-CB 3.87Å; N526-E601 PolarHBondContact N-O 2.62Å; N526-E601 PolarHBondContact ND2-OE2 3Å; N527-E601 HydrophobicContact CB-CB 4.17Å; N527-E601 HydrophobicContact CB-CG 4.23Å; I582-E601 HydrophobicContact CG2-CB 4.3Å
602L91.6Very high85.1Confident1 Ų157.3 Ų57.31%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-123.2130.5-177.5-61.5173.2000109L523 T524 I525 F540 L547 I582 F583 I585 L600L523-L602 HydrophobicContact CD1-CB 4.49Å; L523-L602 HydrophobicContact CD1-CD1 4.16Å; T524-L602 CarbonylContact O-C 3.41Å; T524-L602 WeakPolarHBondContact O-CA 3.24Å; I525-L602 HydrophobicContact CG1-CD2 3.94Å; F540-L602 HydrophobicContact CE1-CD2 3.95Å; F540-L602 HydrophobicContact CE2-CD2 4.24Å; F540-L602 HydrophobicContact CZ-CD2 3.52Å; L547-L602 HydrophobicContact CD2-CD1 4.3Å; I582-L602 WeakPolarHBondContact CA-O 3.46Å; F583-L602 HydrophobicContact CD1-CB 4.38Å; F583-L602 HydrophobicContact CD2-CB 4.45Å; F583-L602 HydrophobicContact CE1-CB 3.88Å; F583-L602 HydrophobicContact CE2-CB 3.97Å; F583-L602 HydrophobicContact CE2-CD1 3.73Å; F583-L602 HydrophobicContact CE2-CG 4.41Å; F583-L602 HydrophobicContact CZ-CB 3.67Å; F583-L602 HydrophobicContact CZ-CD1 3.83Å; F583-L602 HydrophobicContact CZ-CG 4.39Å; F583-L602 PolarHBondContact N-O 3.06Å; F583-L602 PolarHBondContact O-N 3.33Å; F583-L602 VanDerWaalsContact O-O 3.1Å; I585-L602 HydrophobicContact CD1-CD1 3.63Å; I585-L602 HydrophobicContact CG1-CD1 4.15Å; L600-L602 HydrophobicContact CD1-CD2 4.47Å; L600-L602 HydrophobicContact CD2-CD1 4.4Å; L600-L602 HydrophobicContact CD2-CD2 4.26Å; L600-L602 HydrophobicContact CD2-CG 4.49Å; L600-L602 HydrophobicContact CG-CD2 4.07Å; L600-L602 HydrophobicContact CG-CG 4.2Å
603A90Very high85.4Confident3 Ų353.6 Ų53.63%0.02527%0.274CS..EExtended strand (participates in β ladder)trans-121.3138.8-176.500000112.2T524 K580 H581 I582T524-A603 PolarHBondContact N-O 3.31Å; T524-A603 VanDerWaalsContact N-O 3.08Å; T524-A603 PolarHBondContact O-N 3.17Å; K580-A603 HydrophobicContact CB-CB 4.02Å; K580-A603 HydrophobicContact CD-CB 4.22Å; H581-A603 CarbonylContact O-C 3.59Å; H581-A603 VanDerWaalsContact O-CA 3.25Å; H581-A603 WeakPolarHBondContact O-CA 3.46Å; I582-A603 HydrophobicContact CG1-CB 3.92Å
604C90.3Very high85.7Confident8 Ų855.2 Ų55.25%0.05428%0.281CS..EExtended strand (participates in β ladder)trans-119.3163176.3-51.10000110.9L523 K580 H581 D609 V610L523-C604 WeakPolarHBondContact CD2-SG 3.45Å; K580-C604 WeakPolarHBondContact CA-O 3.31Å; K580-C604 WeakPolarHBondContact CB-O 3.47Å; H581-C604 PolarHBondContact N-O 3.01Å; H581-C604 PolarHBondContact O-N 2.62Å; C604-D609 HydrophobicContact CB-CB 3.69Å; C604-V610 HydrophobicContact CB-CG2 3.74Å
605D86Confident85.5Confident111 Ų11156.5 Ų56.559%0.59429%0.292SS*.SBendtrans-81.6-25.3180-60.4-31.9000113.2K580K580-D605 WeakPolarHBondContact CD-OD1 3.5Å; K580-D605 WeakPolarHBondContact CE-OD1 3.29Å; K580-D605 IonicContact NZ-OD1 3.13Å; K580-D605 PolarHBondContact NZ-OD1 3.36Å; K580-D605 IonicContact NZ-OD2 2.69Å
606S85.6Confident85.7Confident40 Ų4051.6 Ų51.628%0.2827%0.27SS..SBendtrans-124.9159.3177.281.40000113.1D609 V610S606-D609 WeakPolarHBondContact OG-CB 3.3Å; S606-D609 VanDerWaalsContact OG-CG 3.23Å; S606-D609 PolarHBondContact OG-N 3.33Å; S606-D609 PolarHBondContact OG-OD2 3.25Å; S606-V610 PolarHBondContact O-N 3.01Å
607Q81.7Confident86Confident77 Ų7745.1 Ų45.136%0.3624%0.235SC..Hα-helixtrans-66.7-39171.2-175.959.642.800111.6H581 D609 V610 D611H581-Q607 PolarHBondContact ND1-OE1 2.88Å; Q607-D609 VanDerWaalsContact C-N 3.26Å; Q607-D609 PolarHBondContact O-N 3.24Å; Q607-V610 WeakPolarHBondContact O-CB 3.47Å; Q607-V610 PolarHBondContact O-N 3.27Å; Q607-V610 VanDerWaalsContact O-N 3.11Å; Q607-D611 PolarHBondContact NE2-OD1 3.43Å; Q607-D611 VanDerWaalsContact NE2-OD1 3.1Å; Q607-D611 PolarHBondContact NE2-OD2 3.05Å; Q607-D611 PolarHBondContact O-N 3.24Å
608D78.1Confident86.1Confident127 Ų12745.4 Ų45.468%0.67924%0.237SC*.Hα-helixtrans-60.4-37.3177.9-73.6-8.8000111.5D611 S612D608-D611 PolarHBondContact O-N 3.1Å; D608-S612 WeakPolarHBondContact O-CB 3.32Å; D608-S612 PolarHBondContact O-N 2.9Å
609D86.4Confident85.6Confident64 Ų6445.2 Ų45.234%0.34224%0.236SC..Hα-helixtrans-65.8-42.4173.6-75.6-57.1000112.5R519 C604 S606 Q607 S612 W613R519-D609 IonicContact NH2-OD1 2.71Å; C604-D609 HydrophobicContact CB-CB 3.69Å; S606-D609 WeakPolarHBondContact OG-CB 3.3Å; S606-D609 VanDerWaalsContact OG-CG 3.23Å; S606-D609 PolarHBondContact OG-N 3.33Å; S606-D609 PolarHBondContact OG-OD2 3.25Å; Q607-D609 VanDerWaalsContact C-N 3.26Å; Q607-D609 PolarHBondContact O-N 3.24Å; D609-S612 PolarHBondContact O-N 3.24Å; D609-W613 WeakPolarHBondContact O-CB 3.39Å; D609-W613 VanDerWaalsContact O-CD1 3.23Å; D609-W613 PolarHBondContact O-N 3.13Å
610V86.3Confident85.2Confident1 Ų143.5 Ų43.51%0.00623%0.226CC..Hα-helixtrans-58.6-50.1174.3170.10000110.5H581 F583 C604 S606 Q607 S612 W613 K614H581-V610 HydrophobicContact CB-CG2 3.59Å; F583-V610 HydrophobicContact CB-CG1 4.35Å; F583-V610 HydrophobicContact CD1-CB 4.46Å; F583-V610 HydrophobicContact CD1-CG1 3.86Å; F583-V610 HydrophobicContact CD1-CG2 4.2Å; F583-V610 HydrophobicContact CG-CG1 4.42Å; C604-V610 HydrophobicContact CB-CG2 3.74Å; S606-V610 PolarHBondContact O-N 3.01Å; Q607-V610 WeakPolarHBondContact O-CB 3.47Å; Q607-V610 PolarHBondContact O-N 3.27Å; Q607-V610 VanDerWaalsContact O-N 3.11Å; V610-S612 VanDerWaalsContact C-N 3.32Å; V610-S612 PolarHBondContact O-N 2.7Å; V610-W613 PolarHBondContact O-N 2.92Å; V610-K614 HydrophobicContact CG1-CD 4.02Å; V610-K614 VanDerWaalsContact CG1-CE 3.45Å; V610-K614 HydrophobicContact CG1-CG 4.35Å; V610-K614 WeakPolarHBondContact O-CB 3.49Å; V610-K614 WeakPolarHBondContact O-CG 3.48Å; V610-K614 PolarHBondContact O-N 2.94Å
611D84.1Confident84.6Confident69 Ų6945.3 Ų45.337%0.36925%0.245SC..Hα-helixtrans-69.3-33.1-176.3-66.7-24.1000111.7Q607 D608 K614 S615Q607-D611 PolarHBondContact NE2-OD1 3.43Å; Q607-D611 VanDerWaalsContact NE2-OD1 3.1Å; Q607-D611 PolarHBondContact NE2-OD2 3.05Å; Q607-D611 PolarHBondContact O-N 3.24Å; D608-D611 PolarHBondContact O-N 3.1Å; D611-K614 IonicContact OD1-NZ 3.9Å; D611-S615 VanDerWaalsContact O-CB 3.3Å; D611-S615 WeakPolarHBondContact O-CB 3.34Å; D611-S615 PolarHBondContact O-N 3.47Å; D611-S615 PolarHBondContact O-OG 3.38Å
612S84.4Confident84.4Confident54 Ų5443.2 Ų43.238%0.37824%0.235SC..Hα-helixtrans-68.7-38.2172.6-170.60000112.4R519 D608 D609 V610 S616R519-S612 VanDerWaalsContact NH1-CB 3.31Å; R519-S612 PolarHBondContact NH1-O 2.81Å; R519-S612 VanDerWaalsContact NH1-O 3.08Å; R519-S612 PolarHBondContact NH1-OG 3.39Å; D608-S612 WeakPolarHBondContact O-CB 3.32Å; D608-S612 PolarHBondContact O-N 2.9Å; D609-S612 PolarHBondContact O-N 3.24Å; V610-S612 VanDerWaalsContact C-N 3.32Å; V610-S612 PolarHBondContact O-N 2.7Å; S612-S616 PolarHBondContact O-N 3.4Å; S612-S616 VanDerWaalsContact O-N 3.09Å; S612-S616 PolarHBondContact O-OG 3.06Å
613W91.3Very high83.9Confident5 Ų549.7 Ų49.72%0.01926%0.261CS..Hα-helixtrans-71.2-43.1174.4-89.3110.9000112.2R519 L523 F540 L542 F583 D609 V610 S615 S616 L617R519-W613 HydrophobicContact CB-CZ3 4.22Å; R519-W613 HydrophobicContact CG-CE3 4.22Å; R519-W613 HydrophobicContact CG-CH2 3.85Å; R519-W613 HydrophobicContact CG-CZ2 4.24Å; R519-W613 HydrophobicContact CG-CZ3 3.84Å; R519-W613 VanDerWaalsContact NE-CE2 3.26Å; L523-W613 HydrophobicContact CD1-CD2 3.88Å; L523-W613 HydrophobicContact CD1-CE3 4.08Å; L523-W613 HydrophobicContact CD1-CG 4.42Å; L523-W613 HydrophobicContact CD1-CH2 4.14Å; L523-W613 HydrophobicContact CD1-CZ2 3.91Å; L523-W613 HydrophobicContact CD1-CZ3 4.22Å; L523-W613 HydrophobicContact CD2-CD2 4.24Å; L523-W613 HydrophobicContact CD2-CG 4.11Å; L523-W613 HydrophobicContact CD2-CZ2 4.47Å; L523-W613 HydrophobicContact CG-CD2 4.25Å; L523-W613 HydrophobicContact CG-CZ2 3.85Å; F540-W613 HydrophobicContact CB-CH2 3.77Å; F540-W613 HydrophobicContact CB-CZ2 4.41Å; F540-W613 HydrophobicContact CB-CZ3 4.43Å; L542-W613 HydrophobicContact CB-CZ3 4.43Å; F583-W613 HydrophobicContact CE1-CB 4.24Å; F583-W613 HydrophobicContact CZ-CB 4.1Å; D609-W613 WeakPolarHBondContact O-CB 3.39Å; D609-W613 VanDerWaalsContact O-CD1 3.23Å; D609-W613 PolarHBondContact O-N 3.13Å; V610-W613 PolarHBondContact O-N 2.92Å; W613-S615 VanDerWaalsContact C-N 3.32Å; W613-S615 PolarHBondContact O-N 2.93Å; W613-S616 WeakPolarHBondContact O-CA 3.4Å; W613-S616 WeakPolarHBondContact O-CB 3.39Å; W613-S616 PolarHBondContact O-N 2.66Å; W613-L617 PolarHBondContact O-N 3.13Å
614K88.1Confident83.6Confident37 Ų3753.2 Ų53.216%0.16128%0.283CS..Hα-helixtrans-56-46170.4-74.4175.7-1781720111.5V569 D571 V610 D611 S616 L617 L618V569-K614 HydrophobicContact CG1-CG 4.26Å; D571-K614 WeakPolarHBondContact OD1-CE 3.47Å; D571-K614 IonicContact OD1-NZ 3.19Å; D571-K614 PolarHBondContact OD1-NZ 3Å; D571-K614 IonicContact OD2-NZ 3.57Å; D571-K614 PolarHBondContact OD2-NZ 3.39Å; V610-K614 HydrophobicContact CG1-CD 4.02Å; V610-K614 VanDerWaalsContact CG1-CE 3.45Å; V610-K614 HydrophobicContact CG1-CG 4.35Å; V610-K614 WeakPolarHBondContact O-CB 3.49Å; V610-K614 WeakPolarHBondContact O-CG 3.48Å; V610-K614 PolarHBondContact O-N 2.94Å; D611-K614 IonicContact OD1-NZ 3.9Å; K614-S616 PolarHBondContact O-N 3.18Å; K614-L617 PolarHBondContact O-N 2.94Å; K614-L618 WeakPolarHBondContact O-CB 3.46Å; K614-L618 PolarHBondContact O-N 3.26Å
615S78.3Confident83.2Confident40 Ų4054.2 Ų54.228%0.2829%0.288SS..Hα-helixtrans-60.7-33175.8-61.10000112.3D611 W613 R619D611-S615 VanDerWaalsContact O-CB 3.3Å; D611-S615 WeakPolarHBondContact O-CB 3.34Å; D611-S615 PolarHBondContact O-N 3.47Å; D611-S615 PolarHBondContact O-OG 3.38Å; W613-S615 VanDerWaalsContact C-N 3.32Å; W613-S615 PolarHBondContact O-N 2.93Å; S615-R619 WeakPolarHBondContact O-CG 3.46Å; S615-R619 PolarHBondContact O-N 2.99Å
616S85.7Confident82.1Confident0 Ų055.6 Ų55.60%029%0.289CS..Hα-helixtrans-74-42.2176.6-560000111.9R519 L542 S612 W613 K614 L618 R619 A620R519-S616 VanDerWaalsContact CD-OG 3.29Å; R519-S616 WeakPolarHBondContact CD-OG 3.29Å; L542-S616 VanDerWaalsContact CD2-C 3.43Å; L542-S616 WeakPolarHBondContact CD2-O 3.4Å; S612-S616 PolarHBondContact O-N 3.4Å; S612-S616 VanDerWaalsContact O-N 3.09Å; S612-S616 PolarHBondContact O-OG 3.06Å; W613-S616 WeakPolarHBondContact O-CA 3.4Å; W613-S616 WeakPolarHBondContact O-CB 3.39Å; W613-S616 PolarHBondContact O-N 2.66Å; K614-S616 PolarHBondContact O-N 3.18Å; S616-L618 VanDerWaalsContact C-N 3.34Å; S616-R619 WeakPolarHBondContact O-CB 3.48Å; S616-R619 PolarHBondContact O-N 3.25Å; S616-R619 PolarHBondContact OG-NH2 3.07Å; S616-R619 VanDerWaalsContact OG-NH2 3.08Å; S616-A620 PolarHBondContact O-N 2.87Å
617L87.3Confident80.3Confident1 Ų158 Ų581%0.00530%0.302CS..Hα-helixtrans-62.9-38.4174-77.3164.6000112.2L542 V569 F583 I585 W613 K614 A620 G621 V622L542-L617 HydrophobicContact CD1-CD2 3.92Å; L542-L617 HydrophobicContact CD2-CD2 4.16Å; L542-L617 HydrophobicContact CD2-CG 4.26Å; V569-L617 HydrophobicContact CG2-CB 4.32Å; V569-L617 HydrophobicContact CG2-CD1 4.01Å; F583-L617 HydrophobicContact CE2-CD1 3.59Å; F583-L617 HydrophobicContact CZ-CD1 4.19Å; I585-L617 HydrophobicContact CD1-CD1 3.91Å; I585-L617 HydrophobicContact CD1-CD2 4.11Å; W613-L617 PolarHBondContact O-N 3.13Å; K614-L617 PolarHBondContact O-N 2.94Å; L617-A620 CarbonylContact O-C 3.54Å; L617-A620 WeakPolarHBondContact O-CA 3.37Å; L617-A620 WeakPolarHBondContact O-CB 3.5Å; L617-A620 PolarHBondContact O-N 2.79Å; L617-G621 PolarHBondContact O-N 3.19Å; L617-V622 HydrophobicContact CB-CB 4.19Å; L617-V622 HydrophobicContact CD2-CB 4.49Å; L617-V622 HydrophobicContact CD2-CG2 4.31Å; L617-V622 PolarHBondContact O-N 2.94Å
618L81.6Confident78.1Confident52 Ų5259 Ų5927%0.27231%0.313SS..Hα-helixtrans-62.2-43.2173.8-176.466.5000111.9V375 K614 S616 A620 G621 Y623V375-L618 HydrophobicContact CG1-CD2 4.25Å; K614-L618 WeakPolarHBondContact O-CB 3.46Å; K614-L618 PolarHBondContact O-N 3.26Å; S616-L618 VanDerWaalsContact C-N 3.34Å; L618-A620 PolarHBondContact O-N 3.36Å; L618-G621 PolarHBondContact O-N 3.34Å; L618-Y623 HydrophobicContact CD1-CD1 3.38Å; L618-Y623 HydrophobicContact CD1-CE1 3.71Å; L618-Y623 HydrophobicContact CD1-CG 4.18Å
619R73.5Confident75.9Confident169 Ų16958.4 Ų58.464%0.63832%0.315SS*.Hα-helixtrans-60.7-23.1171.8-72.4-174.2-62.7-139.32.3113.2I518 S615 S616I518-R619 HydrophobicContact CG2-CB 4.14Å; S615-R619 WeakPolarHBondContact O-CG 3.46Å; S615-R619 PolarHBondContact O-N 2.99Å; S616-R619 WeakPolarHBondContact O-CB 3.48Å; S616-R619 PolarHBondContact O-N 3.25Å; S616-R619 PolarHBondContact OG-NH2 3.07Å; S616-R619 VanDerWaalsContact OG-NH2 3.08Å
620A78.1Confident73.5Confident9 Ų962.3 Ų62.37%0.07434%0.34CS..THydrogen-bonded Turntrans-94.611.2176.400000113.2I518 L542 L564 S616 L617 L618I518-A620 HydrophobicContact CD1-CB 3.59Å; L542-A620 HydrophobicContact CD1-CB 3.85Å; L542-A620 HydrophobicContact CD2-CB 4.12Å; L542-A620 HydrophobicContact CG-CB 4.13Å; L564-A620 HydrophobicContact CD1-CB 3.44Å; L564-A620 VanDerWaalsContact CD1-CB 3.44Å; L564-A620 WeakPolarHBondContact CD1-O 3.06Å; S616-A620 PolarHBondContact O-N 2.87Å; L617-A620 CarbonylContact O-C 3.54Å; L617-A620 WeakPolarHBondContact O-CA 3.37Å; L617-A620 WeakPolarHBondContact O-CB 3.5Å; L617-A620 PolarHBondContact O-N 2.79Å; L618-A620 PolarHBondContact O-N 3.36Å
621G78.7Confident70.8Confident38 Ų3870.6 Ų70.639%0.39238%0.379SS..THydrogen-bonded Turntrans84.18.4176.800000115.8L617 L618 Y623L617-G621 PolarHBondContact O-N 3.19Å; L618-G621 PolarHBondContact O-N 3.34Å; G621-Y623 WeakPolarHBondContact O-CD2 3.44Å; G621-Y623 WeakPolarHBondContact O-CE2 3.42Å
622V86.4Confident68.2Low1 Ų172.3 Ų72.31%0.00640%0.396CS..  trans-97103.4178.5-169.90000109.9L564 L567 V569 L617L564-V622 HydrophobicContact CB-CG2 3.96Å; L564-V622 HydrophobicContact CD1-CG2 4.23Å; L564-V622 HydrophobicContact CD2-CG2 3.93Å; L564-V622 HydrophobicContact CG-CG2 4.24Å; L567-V622 HydrophobicContact CB-CG1 3.87Å; L567-V622 HydrophobicContact CB-CG2 4.37Å; V569-V622 HydrophobicContact CG2-CG1 3.76Å; L617-V622 HydrophobicContact CB-CB 4.19Å; L617-V622 HydrophobicContact CD2-CB 4.49Å; L617-V622 HydrophobicContact CD2-CG2 4.31Å; L617-V622 PolarHBondContact O-N 2.94Å
623Y80.2Confident65.6Low138 Ų13879.1 Ų79.154%0.54142%0.422SS..EExtended strand (participates in β ladder)trans-87.4150.5-172.5-62-88.8000113.1K568 V569 L618 G621K568-Y623 CarbonylContact C-O 3.42Å; K568-Y623 VanDerWaalsContact CA-O 3.25Å; K568-Y623 WeakPolarHBondContact CA-O 3.32Å; K568-Y623 WeakPolarHBondContact CB-O 3.3Å; V569-Y623 PolarHBondContact N-O 3Å; L618-Y623 HydrophobicContact CD1-CD1 3.38Å; L618-Y623 HydrophobicContact CD1-CE1 3.71Å; L618-Y623 HydrophobicContact CD1-CG 4.18Å; G621-Y623 WeakPolarHBondContact O-CD2 3.44Å; G621-Y623 WeakPolarHBondContact O-CE2 3.42Å
624P84.1Confident62.5Low76 Ų7684.4 Ų84.449%0.49446%0.455SS..EExtended strand (participates in β ladder)trans-68.5146.3170.829.1-34.4000111.8V569V569-P624 CarbonylContact O-C 3.53Å; V569-P624 VanDerWaalsContact O-CA 3.26Å; V569-P624 WeakPolarHBondContact O-CA 3.07Å
625D82Confident59.8Low30 Ų3089.5 Ų89.516%0.1649%0.489CS..PPolyproline II helixtrans-83132.2176.8-163.346000112.1K568 V569 R570 F586 T627K568-D625 HydrophobicContact CD-CB 4.11Å; K568-D625 WeakPolarHBondContact CD-OD1 3.47Å; K568-D625 IonicContact NZ-OD1 2.78Å; K568-D625 PolarHBondContact NZ-OD1 2.89Å; V569-D625 PolarHBondContact O-N 3.42Å; R570-D625 HydrophobicContact CB-CB 4.32Å; F586-D625 HydrophobicContact CE1-CB 3.86Å; F586-D625 HydrophobicContact CZ-CB 3.76Å; D625-T627 VanDerWaalsContact C-N 3.32Å; D625-T627 PolarHBondContact O-N 3.44Å; D625-T627 WeakPolarHBondContact OD2-CG2 3.46Å; D625-T627 PolarHBondContact OD2-OG1 2.97Å
626K63.1Low57.3Low140 Ų14093.2 Ų93.261%0.60951%0.511SS*.  trans-90.419.4-169-62.5-172.1175.7-174.20113.8C379C379-K626 PolarHBondContact O-NZ 2.71Å
627T46.5Very low54.6Low91 Ų9199.3 Ų99.356%0.55855%0.548SS*.  trans-91.7-2.7-170530000115.5D625D625-T627 VanDerWaalsContact C-N 3.32Å; D625-T627 PolarHBondContact O-N 3.44Å; D625-T627 WeakPolarHBondContact OD2-CG2 3.46Å; D625-T627 PolarHBondContact OD2-OG1 2.97Å
628T36.9Very low51.9Low96 Ų96105.2 Ų105.259%0.58958%0.584SS**  trans-103.855.7-173.4-25.20000114.1
629T31.6Very low49.5Very low116 Ų116108.8 Ų108.871%0.71260%0.604SS**SBendtrans-128.2125.4158.444.30000109.3E631T629-E631 PolarHBondContact O-N 3.44Å
630V36.1Very low47.5Very low145 Ų145108.3 Ų108.388%0.87961%0.614SS**  trans-67.1112-176.1-1770000109.8
631E28.6Very low45.6Very low176 Ų176114.4 Ų114.482%0.82264%0.639SS**  trans-114.2119.5165-73.1-166.9155.300109.8T629T629-E631 PolarHBondContact O-N 3.44Å
632S28.7Very low43.8Very low105 Ų105118.2 Ų118.273%0.73466%0.659SS**  trans-62.6138.4172.8-56.70000110.6T634S632-T634 VanDerWaalsContact C-N 3.34Å; S632-T634 PolarHBondContact O-N 3.25Å
633E30.1Very low42.1Very low196 Ų196121.5 Ų121.592%0.91668%0.676SS**  trans-66.886.3175.4-64.6-177.1144.400111.7
634T26.4Very low41.4Very low117 Ų117119 Ų11972%0.71867%0.672SS**  trans-91.9109.6150.746.60000108.5S632 T636S632-T634 VanDerWaalsContact C-N 3.34Å; S632-T634 PolarHBondContact O-N 3.25Å; T634-T636 VanDerWaalsContact C-N 3.28Å; T634-T636 PolarHBondContact O-N 3Å
635T31.5Very low40.9Very low143 Ų143119.4 Ų119.488%0.87767%0.674SS**  trans-64.177.9178.126.60000112.4T637T635-T637 PolarHBondContact O-N 3.33Å
636T26.6Very low40.6Very low119 Ų119124 Ų12473%0.7369%0.694SS**  trans-76.8115.8154.143.90000108.2T634 T638T634-T636 VanDerWaalsContact C-N 3.28Å; T634-T636 PolarHBondContact O-N 3Å; T636-T638 PolarHBondContact O-N 3.23Å; T636-T638 VanDerWaalsContact O-N 3.08Å
637T28.2Very low41.5Very low127 Ų127118.4 Ų118.478%0.77967%0.671SS**  trans-46.4114.9175.643.20000110.9T635 D639T635-T637 PolarHBondContact O-N 3.33Å; T637-D639 VanDerWaalsContact C-N 3.34Å; T637-D639 PolarHBondContact O-N 2.85Å
638T30.9Very low43.2Very low125 Ų125120 Ų12077%0.76767%0.673SS**  trans-66.395.9168.847.10000108.8T636 N640T636-T638 PolarHBondContact O-N 3.23Å; T636-T638 VanDerWaalsContact O-N 3.08Å; T638-N640 PolarHBondContact O-N 3.32Å
639D30.3Very low45.4Very low127 Ų127123.6 Ų123.668%0.67968%0.675SS**  trans-56.2106.9159.5-86.3-29.2000107.5T637 F641T637-D639 VanDerWaalsContact C-N 3.34Å; T637-D639 PolarHBondContact O-N 2.85Å; D639-F641 HydrophobicContact CB-CD2 3.97Å; D639-F641 HydrophobicContact CB-CE2 4.07Å; D639-F641 PolarHBondContact O-N 3.15Å
640N33.5Very low47.8Very low159 Ų159119.4 Ų119.485%0.8565%0.647SS**  trans-65.781.7166.6-89.1-25.2000107.9T638 S642T638-N640 PolarHBondContact O-N 3.32Å; N640-S642 VanDerWaalsContact C-N 3.3Å; N640-S642 PolarHBondContact O-N 3.44Å
641F36.4Very low50.3Low137 Ų137113 Ų11360%0.60161%0.609SS**  trans-61.196168-95.9-86.4000108.4D639 M643D639-F641 HydrophobicContact CB-CD2 3.97Å; D639-F641 HydrophobicContact CB-CE2 4.07Å; D639-F641 PolarHBondContact O-N 3.15Å; F641-M643 PolarHBondContact O-N 3.04Å
642S40.9Very low53.2Low118 Ų118106.7 Ų106.783%0.82558%0.579SS**  trans-57.395.8152.3-178.70000106.7N640N640-S642 VanDerWaalsContact C-N 3.3Å; N640-S642 PolarHBondContact O-N 3.44Å
643M51.9Low56Low71 Ų71101.8 Ų101.835%0.3555%0.545SS..  trans-70.1133.2173.9-77.1-67.7-162.400108.4F641 P645 L647F641-M643 PolarHBondContact O-N 3.04Å; M643-P645 WeakPolarHBondContact O-CD 3.3Å; M643-L647 HydrophobicContact SD-CD2 3.88Å
644D65.1Low58.8Low85 Ų8592.5 Ų92.546%0.45550%0.501SS..  trans-54.9122.1163.4169.59.4000108.7Q646 L647 E648D644-Q646 PolarHBondContact O-N 3.21Å; D644-Q646 WeakPolarHBondContact OD1-CB 3.46Å; D644-Q646 PolarHBondContact OD1-N 3.38Å; D644-L647 HydrophobicContact CB-CB 4.11Å; D644-L647 WeakPolarHBondContact O-CA 3.35Å; D644-L647 WeakPolarHBondContact O-CB 3.3Å; D644-L647 PolarHBondContact O-N 3.06Å; D644-E648 PolarHBondContact O-N 3.01Å; D644-E648 VanDerWaalsContact O-N 3.11Å
645P74.4Confident61.9Low84 Ų8488.3 Ų88.355%0.54547%0.472SS..Hα-helixtrans-56.4-22.3178.4-26.935.6000114M643 R649M643-P645 WeakPolarHBondContact O-CD 3.3Å; P645-R649 WeakPolarHBondContact O-CG 3.49Å; P645-R649 PolarHBondContact O-N 3Å
646Q75.1Confident64.6Low126 Ų12682.4 Ų82.459%0.58944%0.435SS*.Hα-helixtrans-73.4-41.6172.1-57.5-165.61.200111.9D644 R649 K650D644-Q646 PolarHBondContact O-N 3.21Å; D644-Q646 WeakPolarHBondContact OD1-CB 3.46Å; D644-Q646 PolarHBondContact OD1-N 3.38Å; Q646-R649 PolarHBondContact O-N 2.88Å; Q646-K650 WeakPolarHBondContact O-CG 3.29Å; Q646-K650 PolarHBondContact O-N 3.27Å; Q646-K650 VanDerWaalsContact O-N 3.1Å
647L81.8Confident67.7Low23 Ų2376.9 Ų76.912%0.1240%0.401CS..Hα-helixtrans-64.2-42.3177.3178.660.9000111.3I392 M643 D644 R649 K650 V651I392-L647 HydrophobicContact CB-CD1 4.2Å; I392-L647 HydrophobicContact CD1-CD1 4.04Å; I392-L647 HydrophobicContact CG2-CD1 3.69Å; M643-L647 HydrophobicContact SD-CD2 3.88Å; D644-L647 HydrophobicContact CB-CB 4.11Å; D644-L647 WeakPolarHBondContact O-CA 3.35Å; D644-L647 WeakPolarHBondContact O-CB 3.3Å; D644-L647 PolarHBondContact O-N 3.06Å; L647-R649 PolarHBondContact O-N 3.38Å; L647-K650 PolarHBondContact O-N 3.44Å; L647-K650 VanDerWaalsContact O-N 3.14Å; L647-V651 HydrophobicContact CD1-CG2 4.29Å; L647-V651 HydrophobicContact CG-CG2 4.42Å; L647-V651 WeakPolarHBondContact O-CG2 3.4Å; L647-V651 PolarHBondContact O-N 2.83Å
648E82.1Confident70.7Confident126 Ų12670.9 Ų70.959%0.58936%0.364SS*.Hα-helixtrans-60.2-45178.6-170.9171.5-151.700112D644 K650 V651 E652D644-E648 PolarHBondContact O-N 3.01Å; D644-E648 VanDerWaalsContact O-N 3.11Å; E648-K650 VanDerWaalsContact C-N 3.35Å; E648-K650 PolarHBondContact O-N 3.2Å; E648-V651 PolarHBondContact O-N 2.83Å; E648-E652 PolarHBondContact O-N 3.28Å
649R82.3Confident73.4Confident171 Ų17167.6 Ų67.665%0.64534%0.342SS*.Hα-helixtrans-61.4-38.9173-70.8175.5-175.7176.62.5112.9P645 Q646 L647 T653P645-R649 WeakPolarHBondContact O-CG 3.49Å; P645-R649 PolarHBondContact O-N 3Å; Q646-R649 PolarHBondContact O-N 2.88Å; L647-R649 PolarHBondContact O-N 3.38Å; R649-T653 WeakPolarHBondContact O-CB 3.36Å; R649-T653 PolarHBondContact O-N 2.97Å; R649-T653 PolarHBondContact O-OG1 3.05Å
650K83.6Confident76.3Confident28 Ų2862.3 Ų62.312%0.12232%0.315CS..Hα-helixtrans-66-41.6176.2-70.4-177.1-177.7-170.70111.5I392 G401 L402 F403 T404 Q646 L647 E648 T653 I654I392-K650 HydrophobicContact CD1-CB 4.1Å; G401-K650 PolarHBondContact O-NZ 3.26Å; L402-K650 PolarHBondContact O-NZ 3.35Å; F403-K650 PolarHBondContact O-NZ 3.12Å; T404-K650 HydrophobicContact CG2-CB 4.35Å; T404-K650 WeakPolarHBondContact OG1-CG 3.23Å; Q646-K650 WeakPolarHBondContact O-CG 3.29Å; Q646-K650 PolarHBondContact O-N 3.27Å; Q646-K650 VanDerWaalsContact O-N 3.1Å; L647-K650 PolarHBondContact O-N 3.44Å; L647-K650 VanDerWaalsContact O-N 3.14Å; E648-K650 VanDerWaalsContact C-N 3.35Å; E648-K650 PolarHBondContact O-N 3.2Å; K650-T653 PolarHBondContact O-N 3.38Å; K650-I654 PolarHBondContact O-N 3.43Å
651V88.6Confident79.2Confident11 Ų1155.2 Ų55.27%0.06728%0.276CS..Hα-helixtrans-60.1-50.8175.1169.30000110.7R385 I388 I392 L647 E648 T653 I654 R655R385-V651 HydrophobicContact CB-CG1 3.9Å; R385-V651 HydrophobicContact CG-CG1 3.91Å; I388-V651 HydrophobicContact CB-CG1 4.24Å; I388-V651 HydrophobicContact CG2-CB 4.18Å; I388-V651 HydrophobicContact CG2-CG1 4.08Å; I388-V651 HydrophobicContact CG2-CG2 4.09Å; I392-V651 HydrophobicContact CD1-CG2 3.79Å; L647-V651 HydrophobicContact CD1-CG2 4.29Å; L647-V651 HydrophobicContact CG-CG2 4.42Å; L647-V651 WeakPolarHBondContact O-CG2 3.4Å; L647-V651 PolarHBondContact O-N 2.83Å; E648-V651 PolarHBondContact O-N 2.83Å; V651-T653 PolarHBondContact O-N 3.29Å; V651-I654 PolarHBondContact O-N 3Å; V651-R655 WeakPolarHBondContact O-CB 3.37Å; V651-R655 PolarHBondContact O-N 2.94Å
652E87.8Confident81.9Confident42 Ų4249.8 Ų49.820%0.19625%0.253CS..Hα-helixtrans-68.9-32.6-178.1-169.253.7-135.200112.4R385 E648 R655 N656R385-E652 IonicContact CZ-OE2 3.52Å; R385-E652 IonicContact NE-OE2 3.04Å; R385-E652 PolarHBondContact NE-OE2 2.67Å; R385-E652 IonicContact NH2-OE2 3.15Å; R385-E652 PolarHBondContact NH2-OE2 3.06Å; R385-E652 VanDerWaalsContact NH2-OE2 3.15Å; E648-E652 PolarHBondContact O-N 3.28Å; E652-R655 PolarHBondContact O-N 2.92Å; E652-R655 IonicContact OE1-CZ 2.67Å; E652-R655 IonicContact OE1-NE 3.08Å; E652-R655 PolarHBondContact OE1-NE 2.89Å; E652-R655 IonicContact OE1-NH2 2.67Å; E652-R655 PolarHBondContact OE1-NH2 2.81Å; E652-R655 WeakPolarHBondContact OE2-CD 3.29Å; E652-R655 IonicContact OE2-NE 3.94Å; E652-R655 PolarHBondContact OE2-NE 2.69Å; E652-N656 PolarHBondContact O-N 2.74Å; E652-N656 PolarHBondContact O-ND2 2.94Å; E652-N656 PolarHBondContact OE1-OD1 3.04Å
653T87.9Confident84.2Confident3 Ų346.8 Ų46.82%0.01824%0.235CC..Hα-helixtrans-61.4-49.3170.9-580000111.3F496 A499 Q500 R649 K650 V651 N656 L657F496-T653 HydrophobicContact CD1-CG2 4.08Å; F496-T653 HydrophobicContact CE1-CG2 3.72Å; F496-T653 HydrophobicContact CZ-CG2 4.21Å; A499-T653 HydrophobicContact CB-CG2 4.19Å; Q500-T653 HydrophobicContact CG-CG2 3.68Å; R649-T653 WeakPolarHBondContact O-CB 3.36Å; R649-T653 PolarHBondContact O-N 2.97Å; R649-T653 PolarHBondContact O-OG1 3.05Å; K650-T653 PolarHBondContact O-N 3.38Å; V651-T653 PolarHBondContact O-N 3.29Å; T653-N656 PolarHBondContact O-N 2.85Å; T653-L657 HydrophobicContact CG2-CD1 4.28Å; T653-L657 WeakPolarHBondContact O-CG 3.39Å; T653-L657 PolarHBondContact O-N 2.93Å
654I89.7Confident86.2Confident0 Ų044.2 Ų44.20%022%0.223CC..Hα-helixtrans-64.3-40.9177.8-73.8161.1000110.7I388 I392 T404 A408 F409 K650 V651 N656 L657 V658I388-I654 HydrophobicContact CD1-CG2 4.09Å; I388-I654 HydrophobicContact CG1-CG2 3.98Å; I388-I654 HydrophobicContact CG2-CB 3.82Å; I388-I654 HydrophobicContact CG2-CD1 4.12Å; I388-I654 HydrophobicContact CG2-CG2 3.72Å; I392-I654 HydrophobicContact CD1-CD1 3.82Å; I392-I654 HydrophobicContact CG1-CD1 3.82Å; T404-I654 HydrophobicContact CG2-CD1 3.48Å; T404-I654 VanDerWaalsContact CG2-CD1 3.48Å; T404-I654 HydrophobicContact CG2-CG1 3.69Å; A408-I654 HydrophobicContact CB-CD1 3.85Å; F409-I654 HydrophobicContact CB-CG2 4.23Å; K650-I654 PolarHBondContact O-N 3.43Å; V651-I654 PolarHBondContact O-N 3Å; I654-N656 PolarHBondContact O-N 3.19Å; I654-L657 PolarHBondContact O-N 2.95Å; I654-L657 VanDerWaalsContact O-N 3.11Å; I654-V658 HydrophobicContact CG2-CG2 4.02Å; I654-V658 WeakPolarHBondContact O-CG2 3.5Å; I654-V658 PolarHBondContact O-N 2.87Å
655R90.7Very high87.6Confident30 Ų3040.2 Ų40.211%0.11320%0.202CC..Hα-helixtrans-55-50.3176.2-163.6-158.877.569.323.8111.6D381 M384 R385 I388 V651 E652 L657 V658 D659D381-R655 IonicContact OD1-NH1 2.67Å; D381-R655 IonicContact OD2-NH1 3.63Å; M384-R655 HydrophobicContact SD-CG 4.16Å; R385-R655 VanDerWaalsContact NH2-NE 3.15Å; I388-R655 HydrophobicContact CD1-CB 3.97Å; I388-R655 HydrophobicContact CD1-CG 4.37Å; V651-R655 WeakPolarHBondContact O-CB 3.37Å; V651-R655 PolarHBondContact O-N 2.94Å; E652-R655 PolarHBondContact O-N 2.92Å; E652-R655 IonicContact OE1-CZ 2.67Å; E652-R655 IonicContact OE1-NE 3.08Å; E652-R655 PolarHBondContact OE1-NE 2.89Å; E652-R655 IonicContact OE1-NH2 2.67Å; E652-R655 PolarHBondContact OE1-NH2 2.81Å; E652-R655 WeakPolarHBondContact OE2-CD 3.29Å; E652-R655 IonicContact OE2-NE 3.94Å; E652-R655 PolarHBondContact OE2-NE 2.69Å; R655-L657 VanDerWaalsContact C-N 3.27Å; R655-L657 PolarHBondContact O-N 3.24Å; R655-V658 PolarHBondContact O-N 2.78Å; R655-D659 IonicContact CZ-OD2 2.79Å; R655-D659 IonicContact NH1-OD1 3.07Å; R655-D659 IonicContact NH1-OD2 3.71Å; R655-D659 PolarHBondContact NH1-OD2 2.77Å; R655-D659 IonicContact NH2-OD2 3.66Å; R655-D659 PolarHBondContact NH2-OD2 2.94Å; R655-D659 PolarHBondContact O-N 3.1Å
656N88.6Confident88.5Confident19 Ų1937 Ų3710%0.10218%0.18CC..Hα-helixtrans-60.7-33.2177.7-72.6-38000113.4I494 A499 E652 T653 I654 S660I494-N656 HydrophobicContact CD1-CB 4.43Å; A499-N656 HydrophobicContact CB-CB 4.06Å; E652-N656 PolarHBondContact O-N 2.74Å; E652-N656 PolarHBondContact O-ND2 2.94Å; E652-N656 PolarHBondContact OE1-OD1 3.04Å; T653-N656 PolarHBondContact O-N 2.85Å; I654-N656 PolarHBondContact O-N 3.19Å; N656-S660 WeakPolarHBondContact O-CB 3.38Å; N656-S660 PolarHBondContact O-N 2.82Å
657L90.8Very high89.3Confident2 Ų236.6 Ų36.61%0.0118%0.176CC..Hα-helixtrans-74-43174.7-64.7167.1000111.6F409 F493 I494 F496 A499 T653 I654 R655 S660 Y661F409-L657 HydrophobicContact CD2-CB 3.73Å; F409-L657 HydrophobicContact CE2-CB 3.77Å; F409-L657 WeakPolarHBondContact CE2-O 3.28Å; F493-L657 HydrophobicContact CE1-CD2 4.28Å; F493-L657 HydrophobicContact CE2-CB 4.44Å; F493-L657 HydrophobicContact CE2-CD2 4.2Å; F493-L657 HydrophobicContact CZ-CB 4.3Å; F493-L657 HydrophobicContact CZ-CD2 3.67Å; I494-L657 HydrophobicContact CG1-CD2 4.37Å; F496-L657 HydrophobicContact CD2-CD1 3.52Å; F496-L657 HydrophobicContact CE2-CD1 3.39Å; F496-L657 HydrophobicContact CG-CD1 4.21Å; F496-L657 HydrophobicContact CZ-CD1 3.98Å; A499-L657 HydrophobicContact CB-CD2 3.7Å; A499-L657 HydrophobicContact CB-CG 3.8Å; T653-L657 HydrophobicContact CG2-CD1 4.28Å; T653-L657 WeakPolarHBondContact O-CG 3.39Å; T653-L657 PolarHBondContact O-N 2.93Å; I654-L657 PolarHBondContact O-N 2.95Å; I654-L657 VanDerWaalsContact O-N 3.11Å; R655-L657 VanDerWaalsContact C-N 3.27Å; R655-L657 PolarHBondContact O-N 3.24Å; L657-S660 PolarHBondContact O-N 3.24Å; L657-Y661 PolarHBondContact O-N 2.73Å
658V91.4Very high89.9Confident1 Ų137.5 Ų37.51%0.00618%0.184CC..Hα-helixtrans-58-50.4175.21720000109.9M384 F409 I412 V413 I654 R655 S660 Y661 M662M384-V658 HydrophobicContact CE-CG1 4.36Å; M384-V658 HydrophobicContact SD-CB 4.43Å; M384-V658 HydrophobicContact SD-CG1 3.92Å; F409-V658 HydrophobicContact CD2-CG2 3.92Å; F409-V658 HydrophobicContact CE2-CG2 4.44Å; I412-V658 HydrophobicContact CB-CG2 4.12Å; I412-V658 HydrophobicContact CG2-CG1 4.02Å; I412-V658 HydrophobicContact CG2-CG2 3.73Å; V413-V658 HydrophobicContact CG2-CG2 4.17Å; I654-V658 HydrophobicContact CG2-CG2 4.02Å; I654-V658 WeakPolarHBondContact O-CG2 3.5Å; I654-V658 PolarHBondContact O-N 2.87Å; R655-V658 PolarHBondContact O-N 2.78Å; V658-S660 PolarHBondContact O-N 3.11Å; V658-Y661 PolarHBondContact O-N 3.26Å; V658-M662 HydrophobicContact CG1-CG 4.09Å; V658-M662 WeakPolarHBondContact O-CB 3.36Å; V658-M662 VanDerWaalsContact O-CG 3.29Å; V658-M662 WeakPolarHBondContact O-CG 3.4Å; V658-M662 PolarHBondContact O-N 2.9Å
659D89.1Confident90.5Very high57 Ų5731.5 Ų31.531%0.30516%0.156SC..Hα-helixtrans-55.8-49.3176.6-71.20.5000111.6R655 Y661 M662 A663R655-D659 IonicContact CZ-OD2 2.79Å; R655-D659 IonicContact NH1-OD1 3.07Å; R655-D659 IonicContact NH1-OD2 3.71Å; R655-D659 PolarHBondContact NH1-OD2 2.77Å; R655-D659 IonicContact NH2-OD2 3.66Å; R655-D659 PolarHBondContact NH2-OD2 2.94Å; R655-D659 PolarHBondContact O-N 3.1Å; D659-Y661 VanDerWaalsContact C-N 3.32Å; D659-Y661 PolarHBondContact O-N 3.42Å; D659-M662 PolarHBondContact O-N 3.05Å; D659-A663 WeakPolarHBondContact O-CB 3.33Å; D659-A663 PolarHBondContact O-N 3.47Å
660S91.3Very high91.1Very high15 Ų1528.6 Ų28.611%0.10515%0.145CC..Hα-helixtrans-61.2-39.8-179.7-176.80000112.2I494 N656 L657 V658 I664I494-S660 PolarHBondContact N-OG 3.24Å; N656-S660 WeakPolarHBondContact O-CB 3.38Å; N656-S660 PolarHBondContact O-N 2.82Å; L657-S660 PolarHBondContact O-N 3.24Å; V658-S660 PolarHBondContact O-N 3.11Å; S660-I664 WeakPolarHBondContact O-CD1 3.35Å; S660-I664 WeakPolarHBondContact O-CG1 3.38Å
661Y93.9Very high91.6Very high11 Ų1130.9 Ų30.94%0.04316%0.159CC..Hα-helixtrans-75.6-41.5178.7-162.9-94000112F409 V413 I486 N487 F493 L657 V658 D659 A663 I664 V665F409-Y661 HydrophobicContact CZ-CD2 4.41Å; F409-Y661 HydrophobicContact CZ-CG 4.19Å; V413-Y661 HydrophobicContact CG1-CD1 3.5Å; V413-Y661 VanDerWaalsContact CG1-CD1 3.5Å; V413-Y661 HydrophobicContact CG1-CE1 3.83Å; V413-Y661 HydrophobicContact CG1-CG 4.5Å; V413-Y661 HydrophobicContact CG2-CD1 4.24Å; I486-Y661 WeakPolarHBondContact CA-OH 3.19Å; I486-Y661 HydrophobicContact CG1-CE1 4.49Å; I486-Y661 HydrophobicContact CG2-CD1 4.36Å; I486-Y661 HydrophobicContact CG2-CD2 4.06Å; I486-Y661 HydrophobicContact CG2-CE1 4.01Å; I486-Y661 HydrophobicContact CG2-CE2 3.68Å; I486-Y661 HydrophobicContact CG2-CG 4.39Å; N487-Y661 PolarHBondContact N-OH 3.08Å; N487-Y661 VanDerWaalsContact N-OH 3.1Å; F493-Y661 HydrophobicContact CD2-CD2 4.13Å; F493-Y661 HydrophobicContact CE2-CD2 4.24Å; L657-Y661 PolarHBondContact O-N 2.73Å; V658-Y661 PolarHBondContact O-N 3.26Å; D659-Y661 VanDerWaalsContact C-N 3.32Å; D659-Y661 PolarHBondContact O-N 3.42Å; Y661-A663 VanDerWaalsContact C-N 3.29Å; Y661-A663 PolarHBondContact O-N 3.49Å; Y661-I664 WeakPolarHBondContact O-CB 3.36Å; Y661-I664 PolarHBondContact O-N 3.22Å; Y661-I664 VanDerWaalsContact O-N 3.09Å; Y661-V665 HydrophobicContact CD1-CG2 3.81Å; Y661-V665 HydrophobicContact CE1-CG2 3.52Å; Y661-V665 PolarHBondContact O-N 2.94Å
662M92.1Very high91.9Very high22 Ų2233 Ų3311%0.10817%0.169CC..Hα-helixtrans-64.3-33.2177.1-72-55.5-57.100112.3Q416 V417 L420 V658 D659 I664 V665 N666Q416-M662 HydrophobicContact CB-CE 3.81Å; Q416-M662 HydrophobicContact CB-CG 4.31Å; Q416-M662 HydrophobicContact CB-SD 3.74Å; V417-M662 HydrophobicContact CG2-CE 4.15Å; V417-M662 HydrophobicContact CG2-SD 3.67Å; L420-M662 HydrophobicContact CD1-CE 4.19Å; V658-M662 HydrophobicContact CG1-CG 4.09Å; V658-M662 WeakPolarHBondContact O-CB 3.36Å; V658-M662 VanDerWaalsContact O-CG 3.29Å; V658-M662 WeakPolarHBondContact O-CG 3.4Å; V658-M662 PolarHBondContact O-N 2.9Å; D659-M662 PolarHBondContact O-N 3.05Å; M662-I664 VanDerWaalsContact C-N 3.3Å; M662-I664 PolarHBondContact O-N 3.37Å; M662-V665 PolarHBondContact O-N 2.99Å; M662-N666 VanDerWaalsContact O-CB 3.25Å; M662-N666 WeakPolarHBondContact O-CB 3.13Å; M662-N666 VanDerWaalsContact O-CG 3.3Å; M662-N666 PolarHBondContact O-N 2.84Å
663A90.8Very high92.4Very high55 Ų5531 Ų3146%0.45516%0.16SC..Hα-helixtrans-60.2-39.5171.900000112.4D659 Y661 K667D659-A663 WeakPolarHBondContact O-CB 3.33Å; D659-A663 PolarHBondContact O-N 3.47Å; Y661-A663 VanDerWaalsContact C-N 3.29Å; Y661-A663 PolarHBondContact O-N 3.49Å; A663-K667 VanDerWaalsContact O-CB 3.27Å; A663-K667 WeakPolarHBondContact O-CB 3.49Å; A663-K667 PolarHBondContact O-N 2.99Å
664I93.8Very high92.8Very high17 Ų1731.4 Ų31.49%0.08716%0.162CC..Hα-helixtrans-67.4-49175.9-62.1162.4000110.3H490 D492 F493 S660 Y661 M662 N666 K667 C668H490-I664 HydrophobicContact CB-CD1 4.29Å; D492-I664 HydrophobicContact CB-CD1 4.04Å; D492-I664 HydrophobicContact CB-CG1 3.87Å; F493-I664 HydrophobicContact CB-CD1 3.86Å; F493-I664 HydrophobicContact CD2-CD1 4.43Å; S660-I664 WeakPolarHBondContact O-CD1 3.35Å; S660-I664 WeakPolarHBondContact O-CG1 3.38Å; Y661-I664 WeakPolarHBondContact O-CB 3.36Å; Y661-I664 PolarHBondContact O-N 3.22Å; Y661-I664 VanDerWaalsContact O-N 3.09Å; M662-I664 VanDerWaalsContact C-N 3.3Å; M662-I664 PolarHBondContact O-N 3.37Å; I664-N666 PolarHBondContact O-N 3.4Å; I664-K667 WeakPolarHBondContact O-CB 3.42Å; I664-K667 PolarHBondContact O-N 3.48Å; I664-C668 WeakPolarHBondContact O-CB 3.45Å; I664-C668 PolarHBondContact O-N 3.31Å
665V94.4Very high93.2Very high1 Ų136.9 Ų36.91%0.00619%0.186CC..Hα-helixtrans-60.1-46.8177.7-179.90000110.6V417 L420 Q482 Y661 M662 K667 C668 I669V417-V665 HydrophobicContact CG2-CG1 4.19Å; V417-V665 HydrophobicContact CG2-CG2 4.32Å; L420-V665 HydrophobicContact CD1-CG1 3.69Å; Q482-V665 HydrophobicContact CB-CG1 4.48Å; Q482-V665 HydrophobicContact CG-CG1 4.28Å; Y661-V665 HydrophobicContact CD1-CG2 3.81Å; Y661-V665 HydrophobicContact CE1-CG2 3.52Å; Y661-V665 PolarHBondContact O-N 2.94Å; M662-V665 PolarHBondContact O-N 2.99Å; V665-K667 VanDerWaalsContact C-N 3.31Å; V665-K667 PolarHBondContact O-N 3.26Å; V665-C668 WeakPolarHBondContact O-CB 3.16Å; V665-C668 PolarHBondContact O-N 3.11Å; V665-C668 VanDerWaalsContact O-N 3.11Å; V665-I669 HydrophobicContact CG1-CG1 3.98Å; V665-I669 WeakPolarHBondContact O-CB 3.48Å; V665-I669 WeakPolarHBondContact O-CG1 3.39Å; V665-I669 PolarHBondContact O-N 3.15Å
666N92.1Very high93.6Very high16 Ų1636.3 Ų36.39%0.08619%0.186CC..Hα-helixtrans-63.6-33.3177.4-75.5-15.5000112.6M662 I664 R670M662-N666 VanDerWaalsContact O-CB 3.25Å; M662-N666 WeakPolarHBondContact O-CB 3.13Å; M662-N666 VanDerWaalsContact O-CG 3.3Å; M662-N666 PolarHBondContact O-N 2.84Å; I664-N666 PolarHBondContact O-N 3.4Å; N666-R670 WeakPolarHBondContact O-CB 3.25Å; N666-R670 VanDerWaalsContact O-CG 3.22Å; N666-R670 WeakPolarHBondContact O-CG 3.37Å; N666-R670 PolarHBondContact O-N 3.36Å; N666-R670 VanDerWaalsContact O-N 3.17Å; N666-R670 PolarHBondContact O-NE 3.27Å
667K92.7Very high94Very high118 Ų11835.4 Ų35.451%0.51318%0.182SC..Hα-helixtrans-65.9-43.1171.4179.9179.3171.9-175.20111.2D492 A663 I664 V665D492-K667 IonicContact OD1-NZ 2.76Å; D492-K667 IonicContact OD2-NZ 2.97Å; D492-K667 PolarHBondContact OD2-NZ 3.46Å; A663-K667 VanDerWaalsContact O-CB 3.27Å; A663-K667 WeakPolarHBondContact O-CB 3.49Å; A663-K667 PolarHBondContact O-N 2.99Å; I664-K667 WeakPolarHBondContact O-CB 3.42Å; I664-K667 PolarHBondContact O-N 3.48Å; V665-K667 VanDerWaalsContact C-N 3.31Å; V665-K667 PolarHBondContact O-N 3.26Å
668C94.5Very high94.3Very high43 Ų4338.7 Ų38.729%0.29120%0.198SC..Hα-helixtrans-66.6-48.2177.7-169.80000112.6I664 V665 R670 D671 L672I664-C668 WeakPolarHBondContact O-CB 3.45Å; I664-C668 PolarHBondContact O-N 3.31Å; V665-C668 WeakPolarHBondContact O-CB 3.16Å; V665-C668 PolarHBondContact O-N 3.11Å; V665-C668 VanDerWaalsContact O-N 3.11Å; C668-R670 PolarHBondContact O-N 3.07Å; C668-D671 PolarHBondContact O-N 2.97Å; C668-D671 VanDerWaalsContact O-N 3.16Å; C668-L672 PolarHBondContact O-N 3.19Å; C668-L672 WeakPolarHBondContact SG-CD1 3.05Å
669I94.9Very high94.6Very high0 Ų044.8 Ų44.80%023%0.226CC..Hα-helixtrans-66.2-38.3-178.6-68.5-52.3000112.3F370 L374 L420 I479 Q482 V665 D671 I673F370-I669 HydrophobicContact CZ-CG2 3.91Å; L374-I669 HydrophobicContact CD2-CG2 4.47Å; L420-I669 HydrophobicContact CD1-CG1 4.34Å; I479-I669 HydrophobicContact CD1-CD1 3.51Å; I479-I669 HydrophobicContact CD1-CG1 4.08Å; Q482-I669 HydrophobicContact CG-CD1 4.23Å; V665-I669 HydrophobicContact CG1-CG1 3.98Å; V665-I669 WeakPolarHBondContact O-CB 3.48Å; V665-I669 WeakPolarHBondContact O-CG1 3.39Å; V665-I669 PolarHBondContact O-N 3.15Å; I669-D671 PolarHBondContact O-N 3.17Å; I669-I673 HydrophobicContact CG2-CG1 3.78Å; I669-I673 WeakPolarHBondContact O-CB 3.23Å; I669-I673 VanDerWaalsContact O-CG1 3.28Å; I669-I673 WeakPolarHBondContact O-CG1 3.48Å; I669-I673 PolarHBondContact O-N 3.31Å; I669-I673 VanDerWaalsContact O-N 3.17Å
670R93.5Very high94.9Very high109 Ų10944.1 Ų44.141%0.41122%0.222SC..Hα-helixtrans-61.9-23.3173.9-77.9179.3-65-1761.6113.9P371 L374 N666 C668 P674P371-R670 HydrophobicContact CG-CG 4.47Å; L374-R670 HydrophobicContact CD1-CG 3.46Å; L374-R670 VanDerWaalsContact CD1-CG 3.46Å; N666-R670 WeakPolarHBondContact O-CB 3.25Å; N666-R670 VanDerWaalsContact O-CG 3.22Å; N666-R670 WeakPolarHBondContact O-CG 3.37Å; N666-R670 PolarHBondContact O-N 3.36Å; N666-R670 VanDerWaalsContact O-N 3.17Å; N666-R670 PolarHBondContact O-NE 3.27Å; C668-R670 PolarHBondContact O-N 3.07Å; R670-P674 WeakPolarHBondContact O-CD 3.39Å; R670-P674 WeakPolarHBondContact O-CG 3.18Å
671D94.1Very high95.1Very high77 Ų7743.4 Ų43.441%0.41222%0.217SC..Hα-helixtrans-94.8-45.9178.3177.678.9000112.5C668 I669 K675C668-D671 PolarHBondContact O-N 2.97Å; C668-D671 VanDerWaalsContact O-N 3.16Å; I669-D671 PolarHBondContact O-N 3.17Å; D671-K675 WeakPolarHBondContact O-CD 3.35Å; D671-K675 WeakPolarHBondContact O-CG 3.44Å; D671-K675 WeakPolarHBondContact OD1-CE 3.42Å; D671-K675 IonicContact OD1-NZ 2.82Å; D671-K675 PolarHBondContact OD1-NZ 3.38Å; D671-K675 WeakPolarHBondContact OD2-CE 3.45Å; D671-K675 IonicContact OD2-NZ 3.14Å; D671-K675 PolarHBondContact OD2-NZ 2.92Å
672L96.3Very high95.2Very high55 Ų5543 Ų4329%0.28822%0.216SC..Hα-helixtrans-73-35.9-174.8-71-179.2000114.1C668 K675 T676C668-L672 PolarHBondContact O-N 3.19Å; C668-L672 WeakPolarHBondContact SG-CD1 3.05Å; L672-K675 PolarHBondContact O-N 2.92Å; L672-T676 WeakPolarHBondContact O-CB 3.48Å; L672-T676 PolarHBondContact O-N 3.11Å; L672-T676 PolarHBondContact O-OG1 3.3Å
673I97.3Very high95.4Very high0 Ų045 Ų450%023%0.226CC..Hα-helixtrans-67.6-49.6-176-60.9-64.8000111.7F370 C424 V475 L478 I669 K675 T676 I677F370-I673 HydrophobicContact CE1-CB 3.81Å; F370-I673 HydrophobicContact CE1-CG1 4.3Å; F370-I673 HydrophobicContact CE1-CG2 4.03Å; F370-I673 HydrophobicContact CZ-CB 3.87Å; F370-I673 HydrophobicContact CZ-CG1 3.97Å; F370-I673 HydrophobicContact CZ-CG2 3.9Å; C424-I673 HydrophobicContact CB-CD1 4.2Å; C424-I673 HydrophobicContact CB-CG1 4.43Å; V475-I673 HydrophobicContact CB-CD1 4.27Å; V475-I673 HydrophobicContact CG1-CD1 3.88Å; V475-I673 HydrophobicContact CG2-CD1 3.86Å; V475-I673 HydrophobicContact CG2-CG2 4.48Å; L478-I673 HydrophobicContact CD1-CD1 4.36Å; I669-I673 HydrophobicContact CG2-CG1 3.78Å; I669-I673 WeakPolarHBondContact O-CB 3.23Å; I669-I673 VanDerWaalsContact O-CG1 3.28Å; I669-I673 WeakPolarHBondContact O-CG1 3.48Å; I669-I673 PolarHBondContact O-N 3.31Å; I669-I673 VanDerWaalsContact O-N 3.17Å; I673-K675 VanDerWaalsContact C-N 3.32Å; I673-K675 PolarHBondContact O-N 3.2Å; I673-T676 PolarHBondContact O-N 2.86Å; I673-I677 HydrophobicContact CG2-CD1 3.85Å; I673-I677 WeakPolarHBondContact O-CG1 3.29Å; I673-I677 PolarHBondContact O-N 3.1Å
674P97.5Very high95.7Very high11 Ų1144.5 Ų44.57%0.07122%0.216CC..Hα-helixtrans-55.2-43.7172.1-28.637.6000113.3F366 R670 T676 I677 M678F366-P674 HydrophobicContact CB-CB 4.1Å; F366-P674 HydrophobicContact CB-CG 4.03Å; F366-P674 HydrophobicContact CD1-CB 3.8Å; F366-P674 HydrophobicContact CD1-CG 3.96Å; F366-P674 HydrophobicContact CD2-CB 4.01Å; F366-P674 HydrophobicContact CE1-CB 4.16Å; F366-P674 HydrophobicContact CE2-CB 4.35Å; F366-P674 HydrophobicContact CG-CB 3.72Å; F366-P674 HydrophobicContact CG-CG 4.04Å; F366-P674 HydrophobicContact CZ-CB 4.43Å; R670-P674 WeakPolarHBondContact O-CD 3.39Å; R670-P674 WeakPolarHBondContact O-CG 3.18Å; P674-T676 VanDerWaalsContact C-N 3.33Å; P674-T676 PolarHBondContact O-N 3.44Å; P674-I677 PolarHBondContact O-N 3.25Å; P674-M678 WeakPolarHBondContact O-CB 3.44Å; P674-M678 VanDerWaalsContact O-CG 3.3Å; P674-M678 WeakPolarHBondContact O-CG 3.48Å; P674-M678 PolarHBondContact O-N 2.95Å
675K97.7Very high95.9Very high115 Ų11543.7 Ų43.750%0.521%0.212SC..Hα-helixtrans-61.6-40.3177.9-71.3173.9-175.2172.10112.6D671 L672 I673 H679D671-K675 WeakPolarHBondContact O-CD 3.35Å; D671-K675 WeakPolarHBondContact O-CG 3.44Å; D671-K675 WeakPolarHBondContact OD1-CE 3.42Å; D671-K675 IonicContact OD1-NZ 2.82Å; D671-K675 PolarHBondContact OD1-NZ 3.38Å; D671-K675 WeakPolarHBondContact OD2-CE 3.45Å; D671-K675 IonicContact OD2-NZ 3.14Å; D671-K675 PolarHBondContact OD2-NZ 2.92Å; L672-K675 PolarHBondContact O-N 2.92Å; I673-K675 VanDerWaalsContact C-N 3.32Å; I673-K675 PolarHBondContact O-N 3.2Å; K675-H679 WeakPolarHBondContact O-CB 3.39Å; K675-H679 PolarHBondContact O-N 2.86Å
676T97.9Very high95.9Very high19 Ų1945.2 Ų45.212%0.11722%0.219CC..Hα-helixtrans-64.6-45.1178.1-58.20000111.1Q474 V475 L478 L672 I673 P674 H679 L680Q474-T676 HydrophobicContact CB-CG2 4.18Å; Q474-T676 HydrophobicContact CG-CG2 3.73Å; V475-T676 HydrophobicContact CG2-CG2 4.19Å; L478-T676 HydrophobicContact CD1-CG2 4.24Å; L478-T676 VanDerWaalsContact CD1-OG1 3.28Å; L478-T676 WeakPolarHBondContact CD1-OG1 3.5Å; L672-T676 WeakPolarHBondContact O-CB 3.48Å; L672-T676 PolarHBondContact O-N 3.11Å; L672-T676 PolarHBondContact O-OG1 3.3Å; I673-T676 PolarHBondContact O-N 2.86Å; P674-T676 VanDerWaalsContact C-N 3.33Å; P674-T676 PolarHBondContact O-N 3.44Å; T676-H679 PolarHBondContact O-N 3.42Å; T676-L680 HydrophobicContact CG2-CD1 3.92Å; T676-L680 WeakPolarHBondContact O-CB 3.33Å; T676-L680 PolarHBondContact O-N 3.27Å
677I97.9Very high96.1Very high0 Ų048.8 Ų48.80%024%0.238CC..Hα-helixtrans-67.2-44.9177.9-62.7165.5000110.8F366 V428 V431 I673 P674 H679 M681 I682F366-I677 HydrophobicContact CE1-CB 4.07Å; F366-I677 HydrophobicContact CE1-CD1 3.86Å; F366-I677 HydrophobicContact CE1-CG2 4.08Å; F366-I677 HydrophobicContact CZ-CB 3.99Å; F366-I677 HydrophobicContact CZ-CG2 3.84Å; V428-I677 HydrophobicContact CB-CD1 4.43Å; V428-I677 HydrophobicContact CG2-CD1 3.77Å; V428-I677 HydrophobicContact CG2-CG1 3.97Å; V431-I677 HydrophobicContact CB-CG2 4.12Å; V431-I677 HydrophobicContact CG1-CG2 3.75Å; V431-I677 HydrophobicContact CG2-CG2 4.25Å; I673-I677 HydrophobicContact CG2-CD1 3.85Å; I673-I677 WeakPolarHBondContact O-CG1 3.29Å; I673-I677 PolarHBondContact O-N 3.1Å; P674-I677 PolarHBondContact O-N 3.25Å; I677-H679 VanDerWaalsContact C-N 3.34Å; I677-H679 PolarHBondContact O-N 3.04Å; I677-M681 HydrophobicContact CG2-CB 4.45Å; I677-M681 HydrophobicContact CG2-SD 4.44Å; I677-M681 WeakPolarHBondContact O-CA 3.17Å; I677-M681 VanDerWaalsContact O-CB 3.25Å; I677-M681 WeakPolarHBondContact O-CB 3.36Å; I677-M681 PolarHBondContact O-N 3.13Å; I677-I682 HydrophobicContact CG2-CD1 4.39Å; I677-I682 PolarHBondContact O-N 3.39Å
678M96.8Very high96.3Very high71 Ų7143.9 Ų43.935%0.3522%0.216SC..Iπ-helixtrans-54.8-48.3174.7-77.9-64.6-53.900111.9F366 P674 I682 N683F366-M678 HydrophobicContact CE2-CG 3.88Å; F366-M678 HydrophobicContact CE2-SD 3.87Å; F366-M678 HydrophobicContact CZ-CG 4.32Å; P674-M678 WeakPolarHBondContact O-CB 3.44Å; P674-M678 VanDerWaalsContact O-CG 3.3Å; P674-M678 WeakPolarHBondContact O-CG 3.48Å; P674-M678 PolarHBondContact O-N 2.95Å; M678-I682 HydrophobicContact CE-CG2 4.25Å; M678-I682 HydrophobicContact CG-CD1 4.39Å; M678-I682 PolarHBondContact O-N 3.18Å; M678-I682 HydrophobicContact SD-CB 4.27Å; M678-I682 HydrophobicContact SD-CD1 3.41Å; M678-I682 WeakPolarHBondContact SD-CD1 3.44Å; M678-I682 HydrophobicContact SD-CG1 4.41Å; M678-I682 HydrophobicContact SD-CG2 4.35Å; M678-N683 WeakPolarHBondContact O-CB 3.13Å; M678-N683 VanDerWaalsContact O-CG 3.24Å; M678-N683 PolarHBondContact O-N 2.85Å; M678-N683 PolarHBondContact O-OD1 3.49Å
679H97.1Very high96.4Very high129 Ų12942 Ų4260%0.59720%0.203SC*.Iπ-helixtrans-73.6-52.3-175.8-178.260.4000113.3K675 T676 I677K675-H679 WeakPolarHBondContact O-CB 3.39Å; K675-H679 PolarHBondContact O-N 2.86Å; T676-H679 PolarHBondContact O-N 3.42Å; I677-H679 VanDerWaalsContact C-N 3.34Å; I677-H679 PolarHBondContact O-N 3.04Å
680L96.6Very high96.3Very high42 Ų4246.1 Ų46.122%0.2223%0.226CC..Iπ-helixtrans-80-21.7-172.2-65.1-177.9000114R467 Q474 T676R467-L680 WeakPolarHBondContact CD-O 3.14Å; Q474-L680 HydrophobicContact CB-CD1 3.67Å; Q474-L680 HydrophobicContact CG-CD1 3.78Å; T676-L680 HydrophobicContact CG2-CD1 3.92Å; T676-L680 WeakPolarHBondContact O-CB 3.33Å; T676-L680 PolarHBondContact O-N 3.27Å
681M95.9Very high96.3Very high0 Ų044.6 Ų44.60%024%0.236CC..Iπ-helixtrans-117.8-66.8-175-167.5-177.1-62.300112V428 V431 I432 L435 R467 A471 I677 N684 V685V428-M681 HydrophobicContact CG1-CE 3.6Å; V431-M681 HydrophobicContact CG1-SD 4.4Å; I432-M681 HydrophobicContact CD1-CE 3.93Å; I432-M681 HydrophobicContact CD1-SD 4.45Å; I432-M681 HydrophobicContact CG1-CE 3.64Å; I432-M681 HydrophobicContact CG1-SD 3.52Å; I432-M681 VanDerWaalsContact CG1-SD 3.52Å; L435-M681 HydrophobicContact CD1-CG 3.78Å; L435-M681 HydrophobicContact CD1-SD 3.73Å; R467-M681 HydrophobicContact CB-CG 4.24Å; A471-M681 HydrophobicContact CB-CE 3.63Å; I677-M681 HydrophobicContact CG2-CB 4.45Å; I677-M681 HydrophobicContact CG2-SD 4.44Å; I677-M681 WeakPolarHBondContact O-CA 3.17Å; I677-M681 VanDerWaalsContact O-CB 3.25Å; I677-M681 WeakPolarHBondContact O-CB 3.36Å; I677-M681 PolarHBondContact O-N 3.13Å; M681-N684 PolarHBondContact O-N 2.97Å; M681-V685 VanDerWaalsContact O-CB 3.31Å; M681-V685 WeakPolarHBondContact O-CB 3.24Å; M681-V685 WeakPolarHBondContact O-CG2 3.46Å; M681-V685 PolarHBondContact O-N 3.43Å
682I95.9Very high96.4Very high4 Ų446.2 Ų46.22%0.02124%0.242CC..Iπ-helixtrans-64.9-53.3-168.9-63.5165.7000111.2I344 I362 F366 V431 L435 I677 M678 N684 V685 K686I344-I682 HydrophobicContact CG2-CG2 3.81Å; I362-I682 HydrophobicContact CD1-CD1 4.25Å; I362-I682 HydrophobicContact CG2-CD1 3.8Å; F366-I682 HydrophobicContact CE2-CD1 4.24Å; F366-I682 HydrophobicContact CZ-CD1 4.08Å; V431-I682 HydrophobicContact CG1-CD1 3.95Å; V431-I682 HydrophobicContact CG1-CG1 4.23Å; L435-I682 HydrophobicContact CD1-CG1 4.07Å; L435-I682 HydrophobicContact CD2-CG1 4.29Å; I677-I682 HydrophobicContact CG2-CD1 4.39Å; I677-I682 PolarHBondContact O-N 3.39Å; M678-I682 HydrophobicContact CE-CG2 4.25Å; M678-I682 HydrophobicContact CG-CD1 4.39Å; M678-I682 PolarHBondContact O-N 3.18Å; M678-I682 HydrophobicContact SD-CB 4.27Å; M678-I682 HydrophobicContact SD-CD1 3.41Å; M678-I682 WeakPolarHBondContact SD-CD1 3.44Å; M678-I682 HydrophobicContact SD-CG1 4.41Å; M678-I682 HydrophobicContact SD-CG2 4.35Å; I682-N684 PolarHBondContact O-N 3.44Å; I682-V685 PolarHBondContact O-N 2.86Å; I682-K686 PolarHBondContact O-N 2.78Å
683N96Very high96.3Very high62 Ų6243.6 Ų43.633%0.33223%0.228SC..Iπ-helixtrans-63.3-43.1178.1-671.4000110.9M678 V685 K686 D687M678-N683 WeakPolarHBondContact O-CB 3.13Å; M678-N683 VanDerWaalsContact O-CG 3.24Å; M678-N683 PolarHBondContact O-N 2.85Å; M678-N683 PolarHBondContact O-OD1 3.49Å; N683-V685 PolarHBondContact O-N 3.37Å; N683-K686 WeakPolarHBondContact O-CB 3.5Å; N683-K686 PolarHBondContact O-N 3.4Å; N683-K686 VanDerWaalsContact O-N 3.14Å; N683-D687 PolarHBondContact O-N 3.46Å
684N97.1Very high96Very high45 Ų4545.9 Ų45.924%0.24124%0.24CC..Hα-helixtrans-67.6-32.9-178.7-170.3-100.5000113.8H463 R467 M681 I682 F688H463-N684 PolarHBondContact NE2-OD1 3.5Å; H463-N684 VanDerWaalsContact NE2-OD1 3.15Å; R467-N684 VanDerWaalsContact CD-OD1 3.27Å; R467-N684 WeakPolarHBondContact CD-OD1 3.49Å; R467-N684 PolarHBondContact NH1-OD1 2.87Å; M681-N684 PolarHBondContact O-N 2.97Å; I682-N684 PolarHBondContact O-N 3.44Å; N684-F688 VanDerWaalsContact O-CB 3.31Å; N684-F688 WeakPolarHBondContact O-CB 3.5Å; N684-F688 PolarHBondContact O-N 2.98Å
685V97.1Very high95.7Very high0 Ų048.2 Ų48.20%026%0.26CS..Hα-helixtrans-69.3-40.3171.5170.10000110.2F340 V460 I464 M681 I682 N683 F688 I689F340-V685 HydrophobicContact CE1-CG1 4.25Å; F340-V685 HydrophobicContact CZ-CG1 3.9Å; V460-V685 HydrophobicContact CG1-CG1 4.4Å; I464-V685 HydrophobicContact CD1-CG1 4.38Å; I464-V685 HydrophobicContact CG1-CG1 4.03Å; I464-V685 HydrophobicContact CG1-CG2 3.73Å; M681-V685 VanDerWaalsContact O-CB 3.31Å; M681-V685 WeakPolarHBondContact O-CB 3.24Å; M681-V685 WeakPolarHBondContact O-CG2 3.46Å; M681-V685 PolarHBondContact O-N 3.43Å; I682-V685 PolarHBondContact O-N 2.86Å; N683-V685 PolarHBondContact O-N 3.37Å; V685-F688 PolarHBondContact O-N 3.22Å; V685-I689 HydrophobicContact CG1-CD1 3.73Å; V685-I689 HydrophobicContact CG1-CG1 4.39Å; V685-I689 VanDerWaalsContact O-CG1 3.24Å; V685-I689 WeakPolarHBondContact O-CG1 3.3Å; V685-I689 PolarHBondContact O-N 3.4Å
686K95.4Very high95.5Very high34 Ų3444.4 Ų44.415%0.14825%0.248CC..Hα-helixtrans-61.4-44174.4-166.3177.679.6148.90112.2E341 E345 I682 N683 N690E341-K686 HydrophobicContact CB-CD 4.48Å; E341-K686 HydrophobicContact CG-CD 4.06Å; E341-K686 WeakPolarHBondContact OE1-CD 3.29Å; E341-K686 WeakPolarHBondContact OE1-CE 3.41Å; E341-K686 IonicContact OE1-NZ 3.27Å; E341-K686 PolarHBondContact OE1-NZ 3.33Å; E345-K686 IonicContact OE1-NZ 3.69Å; E345-K686 PolarHBondContact OE1-NZ 3.28Å; I682-K686 PolarHBondContact O-N 2.78Å; N683-K686 WeakPolarHBondContact O-CB 3.5Å; N683-K686 PolarHBondContact O-N 3.4Å; N683-K686 VanDerWaalsContact O-N 3.14Å; K686-N690 PolarHBondContact O-N 2.69Å; K686-N690 VanDerWaalsContact O-N 3.14Å; K686-N690 PolarHBondContact O-ND2 3.13Å
687D96Very high95.1Very high91 Ų9143.6 Ų43.649%0.48724%0.243SC..Hα-helixtrans-64.9-43.9177.6-64.4-24.9000110.9N683 N690 A691N683-D687 PolarHBondContact O-N 3.46Å; D687-N690 PolarHBondContact O-N 2.93Å; D687-A691 VanDerWaalsContact O-CB 3.31Å; D687-A691 WeakPolarHBondContact O-CB 3.28Å; D687-A691 PolarHBondContact O-N 3.06Å
688F97.3Very high94.5Very high14 Ų1447 Ų476%0.06126%0.256CS..Hα-helixtrans-61-45.5176.1173-96.5000112.9I459 H463 N684 V685 N690 A691 E692 L693I459-F688 HydrophobicContact CG2-CE1 3.93Å; I459-F688 HydrophobicContact CG2-CZ 3.69Å; H463-F688 HydrophobicContact CB-CD1 3.97Å; H463-F688 HydrophobicContact CB-CE1 3.81Å; H463-F688 HydrophobicContact CB-CG 4.44Å; H463-F688 HydrophobicContact CB-CZ 4.15Å; H463-F688 AromaticContact CD2-CD1 3.58Å; H463-F688 AromaticContact CD2-CG 3.47Å; H463-F688 VanDerWaalsContact CD2-CG 3.47Å; H463-F688 WeakPolarHBondContact CD2-CG 3.43Å; H463-F688 AromaticContact CE1-CD2 3.78Å; H463-F688 AromaticContact CE1-CG 3.86Å; H463-F688 AromaticContact CG-CD1 3.74Å; H463-F688 AromaticContact CG-CG 3.75Å; H463-F688 AromaticContact ND1-CD2 3.85Å; H463-F688 WeakPolarHBondContact NE2-CB 3.38Å; H463-F688 AromaticContact NE2-CD2 3.96Å; H463-F688 AromaticContact NE2-CG 3.55Å; N684-F688 VanDerWaalsContact O-CB 3.31Å; N684-F688 WeakPolarHBondContact O-CB 3.5Å; N684-F688 PolarHBondContact O-N 2.98Å; V685-F688 PolarHBondContact O-N 3.22Å; F688-N690 VanDerWaalsContact C-N 3.29Å; F688-N690 PolarHBondContact O-N 3.37Å; F688-A691 PolarHBondContact O-N 3.2Å; F688-E692 HydrophobicContact CD2-CB 3.6Å; F688-E692 HydrophobicContact CD2-CG 4.34Å; F688-E692 WeakPolarHBondContact CD2-OE2 3.37Å; F688-E692 HydrophobicContact CE2-CB 3.75Å; F688-E692 HydrophobicContact CG-CB 4.41Å; F688-E692 PolarHBondContact O-N 3.22Å; F688-L693 HydrophobicContact CE1-CB 4.49Å; F688-L693 PolarHBondContact O-N 3.32Å
689I96.4Very high93.9Very high3 Ų348.3 Ų48.32%0.01527%0.272CS..Hα-helixtrans-62.1-38.5177.9-68.7166.6000110.9F336 F340 V460 V685 L693F336-I689 HydrophobicContact CD1-CG2 3.97Å; F336-I689 HydrophobicContact CE1-CD1 4.35Å; F336-I689 HydrophobicContact CE1-CG1 4.45Å; F336-I689 HydrophobicContact CE1-CG2 3.83Å; F340-I689 HydrophobicContact CD1-CD1 3.61Å; F340-I689 HydrophobicContact CD2-CD1 4.06Å; F340-I689 HydrophobicContact CE1-CD1 3.65Å; F340-I689 HydrophobicContact CE2-CD1 4.1Å; F340-I689 HydrophobicContact CG-CD1 3.82Å; F340-I689 HydrophobicContact CZ-CD1 3.9Å; V460-I689 HydrophobicContact CG1-CD1 3.81Å; V460-I689 HydrophobicContact CG1-CG1 4.03Å; V460-I689 HydrophobicContact CG2-CG1 4.07Å; V685-I689 HydrophobicContact CG1-CD1 3.73Å; V685-I689 HydrophobicContact CG1-CG1 4.39Å; V685-I689 VanDerWaalsContact O-CG1 3.24Å; V685-I689 WeakPolarHBondContact O-CG1 3.3Å; V685-I689 PolarHBondContact O-N 3.4Å; I689-L693 HydrophobicContact CB-CD2 4.49Å; I689-L693 HydrophobicContact CG2-CD2 3.97Å
690N93.1Very high92.8Very high88 Ų8844.4 Ų44.447%0.47126%0.262SS..Hα-helixtrans-75.5-40179-83.2-65.2000114S337 K686 D687 F688S337-N690 PolarHBondContact OG-ND2 3.4Å; S337-N690 PolarHBondContact OG-OD1 3.39Å; K686-N690 PolarHBondContact O-N 2.69Å; K686-N690 VanDerWaalsContact O-N 3.14Å; K686-N690 PolarHBondContact O-ND2 3.13Å; D687-N690 PolarHBondContact O-N 2.93Å; F688-N690 VanDerWaalsContact C-N 3.29Å; F688-N690 PolarHBondContact O-N 3.37Å
691A93.2Very high91.3Very high77 Ų7744.6 Ų44.664%0.63627%0.274SS*.Hα-helixtrans-103.1-33.9-168.200000114.7D687 F688D687-A691 VanDerWaalsContact O-CB 3.31Å; D687-A691 WeakPolarHBondContact O-CB 3.28Å; D687-A691 PolarHBondContact O-N 3.06Å; F688-A691 PolarHBondContact O-N 3.2Å
692E95.1Very high90.4Very high111 Ų11149.2 Ų49.252%0.51930%0.299SS..THydrogen-bonded Turntrans-117-34.5-165.6-68.5-179.9-146.600113.5F688 L694 A695 C696F688-E692 HydrophobicContact CD2-CB 3.6Å; F688-E692 HydrophobicContact CD2-CG 4.34Å; F688-E692 WeakPolarHBondContact CD2-OE2 3.37Å; F688-E692 HydrophobicContact CE2-CB 3.75Å; F688-E692 HydrophobicContact CG-CB 4.41Å; F688-E692 PolarHBondContact O-N 3.22Å; E692-L694 VanDerWaalsContact C-N 3.27Å; E692-L694 PolarHBondContact O-N 2.86Å; E692-L694 VanDerWaalsContact O-N 3.13Å; E692-A695 WeakPolarHBondContact O-CA 3.17Å; E692-A695 WeakPolarHBondContact O-CB 3.39Å; E692-A695 PolarHBondContact O-N 3.22Å; E692-C696 PolarHBondContact O-N 2.88Å; E692-C696 PolarHBondContact O-SG 3.13Å
693L94.8Very high89.2Confident0 Ų052.6 Ų52.60%031%0.314CS..Hα-helixtrans-50.4-43.5-176.7172.862000113.4V333 F336 T456 I459 V460 F688 I689 A695 C696 L697V333-L693 HydrophobicContact CG1-CD2 4.19Å; V333-L693 HydrophobicContact CG1-CG 4.3Å; F336-L693 HydrophobicContact CD1-CD2 3.86Å; F336-L693 HydrophobicContact CE1-CD2 3.83Å; T456-L693 HydrophobicContact CG2-CD1 4.46Å; T456-L693 HydrophobicContact CG2-CD2 4.19Å; I459-L693 HydrophobicContact CB-CD1 4.23Å; I459-L693 HydrophobicContact CG2-CD1 3.81Å; V460-L693 HydrophobicContact CG2-CD1 3.8Å; V460-L693 HydrophobicContact CG2-CD2 3.97Å; V460-L693 HydrophobicContact CG2-CG 4.47Å; F688-L693 HydrophobicContact CE1-CB 4.49Å; F688-L693 PolarHBondContact O-N 3.32Å; I689-L693 HydrophobicContact CB-CD2 4.49Å; I689-L693 HydrophobicContact CG2-CD2 3.97Å; L693-A695 VanDerWaalsContact C-N 3.34Å; L693-A695 PolarHBondContact O-N 2.8Å; L693-C696 WeakPolarHBondContact O-CB 3.28Å; L693-C696 PolarHBondContact O-N 3.22Å; L693-L697 HydrophobicContact CD1-CD1 4.02Å; L693-L697 HydrophobicContact CD1-CG 4.16Å; L693-L697 HydrophobicContact CG-CD1 4.03Å; L693-L697 WeakPolarHBondContact O-CG 3.13Å; L693-L697 PolarHBondContact O-N 3.01Å
694L92Very high88.2Confident47 Ų4752.9 Ų52.925%0.24632%0.316CS..Hα-helixtrans-61.8-41.6177.8-176.765.9000111.8L330 V333 E692 L697 Y698L330-L694 HydrophobicContact CD1-CD2 3.54Å; V333-L694 HydrophobicContact CB-CD1 4.12Å; V333-L694 HydrophobicContact CG1-CB 4.13Å; V333-L694 HydrophobicContact CG1-CD1 4.17Å; V333-L694 HydrophobicContact CG2-CD1 4.12Å; E692-L694 VanDerWaalsContact C-N 3.27Å; E692-L694 PolarHBondContact O-N 2.86Å; E692-L694 VanDerWaalsContact O-N 3.13Å; L694-L697 PolarHBondContact O-N 2.9Å; L694-Y698 HydrophobicContact CD1-CD2 4.09Å; L694-Y698 HydrophobicContact CD1-CE2 3.6Å; L694-Y698 HydrophobicContact CD2-CE2 4.17Å; L694-Y698 HydrophobicContact CG-CD2 3.89Å; L694-Y698 HydrophobicContact CG-CE2 3.65Å; L694-Y698 WeakPolarHBondContact O-CD2 3.18Å; L694-Y698 PolarHBondContact O-N 3.15Å
695A91.1Very high87.5Confident61 Ų6152.2 Ų52.250%0.50432%0.317SS..Hα-helixtrans-69.8-34.2177.300000111.9E692 L693 Y698 S699E692-A695 WeakPolarHBondContact O-CA 3.17Å; E692-A695 WeakPolarHBondContact O-CB 3.39Å; E692-A695 PolarHBondContact O-N 3.22Å; L693-A695 VanDerWaalsContact C-N 3.34Å; L693-A695 PolarHBondContact O-N 2.8Å; A695-Y698 PolarHBondContact O-N 2.91Å; A695-S699 PolarHBondContact O-N 2.78Å; A695-S699 VanDerWaalsContact O-N 3.15Å; A695-S699 PolarHBondContact O-OG 3.03Å
696C91.9Very high86.9Confident35 Ų3553 Ų5324%0.23632%0.321CS..Hα-helixtrans-63.3-46.5171.1-62.50000111.3I459 E692 L693 Y698 S699 A700I459-C696 HydrophobicContact CD1-CB 3.99Å; I459-C696 HydrophobicContact CG2-CB 3.94Å; E692-C696 PolarHBondContact O-N 2.88Å; E692-C696 PolarHBondContact O-SG 3.13Å; L693-C696 WeakPolarHBondContact O-CB 3.28Å; L693-C696 PolarHBondContact O-N 3.22Å; C696-Y698 VanDerWaalsContact C-N 3.32Å; C696-Y698 PolarHBondContact O-N 3.08Å; C696-S699 WeakPolarHBondContact CA-OG 3.49Å; C696-S699 PolarHBondContact O-N 2.88Å; C696-S699 VanDerWaalsContact O-N 3.09Å; C696-S699 PolarHBondContact O-OG 2.91Å; C696-S699 VanDerWaalsContact O-OG 3.11Å; C696-A700 VanDerWaalsContact O-CB 3.29Å; C696-A700 WeakPolarHBondContact O-CB 3.27Å; C696-A700 PolarHBondContact O-N 2.69Å
697L90.4Very high86.4Confident2 Ų251.5 Ų51.51%0.0131%0.314CS..Hα-helixtrans-63.1-35.5176.6-70.5166.3000112.5V333 L452 E455 I459 L693 L694 S699 L706V333-L697 HydrophobicContact CG1-CD1 4.45Å; V333-L697 HydrophobicContact CG2-CD1 3.45Å; V333-L697 VanDerWaalsContact CG2-CD1 3.45Å; L452-L697 HydrophobicContact CD1-CD1 4.06Å; L452-L697 HydrophobicContact CD1-CD2 4.16Å; E455-L697 HydrophobicContact CB-CD2 4.22Å; E455-L697 HydrophobicContact CG-CD2 3.91Å; I459-L697 HydrophobicContact CD1-CD2 3.78Å; I459-L697 HydrophobicContact CD1-CG 4.13Å; L693-L697 HydrophobicContact CD1-CD1 4.02Å; L693-L697 HydrophobicContact CD1-CG 4.16Å; L693-L697 HydrophobicContact CG-CD1 4.03Å; L693-L697 WeakPolarHBondContact O-CG 3.13Å; L693-L697 PolarHBondContact O-N 3.01Å; L694-L697 PolarHBondContact O-N 2.9Å; L697-S699 VanDerWaalsContact C-N 3.3Å; L697-S699 PolarHBondContact O-N 2.86Å; L697-L706 HydrophobicContact CB-CD2 4.44Å; L697-L706 HydrophobicContact CD2-CD2 4.29Å
698Y84.7Confident85.8Confident71 Ų7150.3 Ų50.328%0.27831%0.308SS..Hα-helixtrans-69.4-21.5173.2-84.7-60.8000114.9T326 L329 L694 A695 C696 Q703T326-Y698 HydrophobicContact CG2-CE1 4.39Å; T326-Y698 WeakPolarHBondContact CG2-OH 3.4Å; L329-Y698 HydrophobicContact CD2-CD1 4.46Å; L329-Y698 HydrophobicContact CD2-CE1 3.94Å; L694-Y698 HydrophobicContact CD1-CD2 4.09Å; L694-Y698 HydrophobicContact CD1-CE2 3.6Å; L694-Y698 HydrophobicContact CD2-CE2 4.17Å; L694-Y698 HydrophobicContact CG-CD2 3.89Å; L694-Y698 HydrophobicContact CG-CE2 3.65Å; L694-Y698 WeakPolarHBondContact O-CD2 3.18Å; L694-Y698 PolarHBondContact O-N 3.15Å; A695-Y698 PolarHBondContact O-N 2.91Å; C696-Y698 VanDerWaalsContact C-N 3.32Å; C696-Y698 PolarHBondContact O-N 3.08Å; Y698-Q703 HydrophobicContact CD1-CG 4.03Å; Y698-Q703 HydrophobicContact CE1-CG 4.3Å
699S85.4Confident85Confident98 Ų9851.9 Ų51.969%0.68532%0.315SS*.Hα-helixtrans-104.7-14.4-178.349.90000114.1A695 C696 L697A695-S699 PolarHBondContact O-N 2.78Å; A695-S699 VanDerWaalsContact O-N 3.15Å; A695-S699 PolarHBondContact O-OG 3.03Å; C696-S699 WeakPolarHBondContact CA-OG 3.49Å; C696-S699 PolarHBondContact O-N 2.88Å; C696-S699 VanDerWaalsContact O-N 3.09Å; C696-S699 PolarHBondContact O-OG 2.91Å; C696-S699 VanDerWaalsContact O-OG 3.11Å; L697-S699 VanDerWaalsContact C-N 3.3Å; L697-S699 PolarHBondContact O-N 2.86Å
700A73.3Confident84.4Confident48 Ų4853 Ų5340%0.39732%0.324SS..SBendtrans-78.7-18.2-176.300000115.5E455 I459 C696E455-A700 HydrophobicContact CG-CB 4.26Å; E455-A700 VanDerWaalsContact OE1-CB 3.25Å; E455-A700 WeakPolarHBondContact OE1-CB 3.47Å; I459-A700 HydrophobicContact CD1-CB 4.38Å; C696-A700 VanDerWaalsContact O-CB 3.29Å; C696-A700 WeakPolarHBondContact O-CB 3.27Å; C696-A700 PolarHBondContact O-N 2.69Å
701G65.9Low83.9Confident45 Ų4556.5 Ų56.546%0.46434%0.337SS..SBendtrans-179.7-170.8-179.200000115.4Q703G701-Q703 PolarHBondContact O-N 3.16Å
702D75.7Confident83.2Confident98 Ų9860.3 Ų60.352%0.52434%0.342SS..  trans-69117.2173.3-179.30.8000110.2N704 A705 L706D702-N704 PolarHBondContact O-N 3.33Å; D702-N704 VanDerWaalsContact O-N 3.16Å; D702-N704 WeakPolarHBondContact OD1-CB 3.39Å; D702-N704 PolarHBondContact OD1-N 2.92Å; D702-N704 PolarHBondContact OD1-ND2 3.33Å; D702-N704 VanDerWaalsContact OD1-ND2 3.07Å; D702-A705 HydrophobicContact CB-CB 4.09Å; D702-A705 PolarHBondContact O-N 3.24Å; D702-A705 VanDerWaalsContact O-N 3.09Å; D702-L706 PolarHBondContact O-N 3.4Å
703Q70.9Confident82.5Confident74 Ų7456.8 Ų56.835%0.34633%0.326SS..Hα-helixtrans-55.5-31.2178.5-61.3172.230.400112.4Y698 G701 M707Y698-Q703 HydrophobicContact CD1-CG 4.03Å; Y698-Q703 HydrophobicContact CE1-CG 4.3Å; G701-Q703 PolarHBondContact O-N 3.16Å; Q703-M707 WeakPolarHBondContact O-CG 3.26Å; Q703-M707 PolarHBondContact O-N 3.14Å
704N74.9Confident81.8Confident68 Ų6858.1 Ų58.136%0.36434%0.336SS..Hα-helixtrans-68.3-45.8178.4-64.7-62.7000111.3K325 D702 M707 D708K325-N704 PolarHBondContact NZ-O 2.8Å; D702-N704 PolarHBondContact O-N 3.33Å; D702-N704 VanDerWaalsContact O-N 3.16Å; D702-N704 WeakPolarHBondContact OD1-CB 3.39Å; D702-N704 PolarHBondContact OD1-N 2.92Å; D702-N704 PolarHBondContact OD1-ND2 3.33Å; D702-N704 VanDerWaalsContact OD1-ND2 3.07Å; N704-M707 CarbonylContact O-C 3.51Å; N704-M707 PolarHBondContact O-N 3.29Å; N704-D708 PolarHBondContact O-N 3.42Å
705A82.6Confident81.4Confident31 Ų3161.9 Ų61.926%0.25635%0.353SS..Hα-helixtrans-70.9-28.8-179.700000112.7R451 D702 M707R451-A705 WeakPolarHBondContact CD-O 3.38Å; R451-A705 PolarHBondContact NH1-O 3.06Å; D702-A705 HydrophobicContact CB-CB 4.09Å; D702-A705 PolarHBondContact O-N 3.24Å; D702-A705 VanDerWaalsContact O-N 3.09Å; A705-M707 VanDerWaalsContact C-N 3.32Å
706L84.5Confident81Confident17 Ų1764.9 Ų64.99%0.08935%0.351CS..Hα-helixtrans-67.8-34.7174.8-160.581.9000111.9L329 L452 E455 L697 D702L329-L706 HydrophobicContact CD1-CD2 3.99Å; L329-L706 HydrophobicContact CD2-CD2 4.42Å; L452-L706 HydrophobicContact CB-CG 4.18Å; L452-L706 HydrophobicContact CD1-CD2 3.82Å; L452-L706 HydrophobicContact CD1-CG 4.32Å; L452-L706 PolarHBondContact N-O 3.48Å; E455-L706 HydrophobicContact CB-CD1 3.92Å; E455-L706 HydrophobicContact CG-CD1 4.06Å; L697-L706 HydrophobicContact CB-CD2 4.44Å; L697-L706 HydrophobicContact CD2-CD2 4.29Å; D702-L706 PolarHBondContact O-N 3.4Å
707M84.9Confident80.6Confident3 Ų364.5 Ų64.52%0.01534%0.344CS..THydrogen-bonded Turntrans-98.225.6-179-62.9-61.7-63.600112.8K325 Q328 L329 F449 L452 Q703 N704 A705K325-M707 HydrophobicContact CB-CB 4.32Å; K325-M707 HydrophobicContact CB-CG 4.32Å; K325-M707 HydrophobicContact CD-CB 3.96Å; K325-M707 HydrophobicContact CG-CB 4.01Å; Q328-M707 HydrophobicContact CB-CE 3.93Å; Q328-M707 HydrophobicContact CG-CE 3.88Å; L329-M707 HydrophobicContact CB-CE 4.4Å; L329-M707 HydrophobicContact CB-CG 4.4Å; L329-M707 HydrophobicContact CB-SD 3.83Å; L329-M707 HydrophobicContact CD1-SD 4Å; L329-M707 HydrophobicContact CG-SD 4.46Å; F449-M707 HydrophobicContact CD1-CB 4.49Å; F449-M707 HydrophobicContact CD1-CE 4.07Å; F449-M707 HydrophobicContact CD2-CE 3.98Å; F449-M707 HydrophobicContact CE1-CE 3.85Å; F449-M707 WeakPolarHBondContact CE1-O 3.09Å; F449-M707 HydrophobicContact CE2-CE 3.76Å; F449-M707 HydrophobicContact CG-CE 4.14Å; F449-M707 HydrophobicContact CG-SD 4.45Å; F449-M707 HydrophobicContact CZ-CE 3.7Å; L452-M707 HydrophobicContact CD2-SD 3.91Å; Q703-M707 WeakPolarHBondContact O-CG 3.26Å; Q703-M707 PolarHBondContact O-N 3.14Å; N704-M707 CarbonylContact O-C 3.51Å; N704-M707 PolarHBondContact O-N 3.29Å; A705-M707 VanDerWaalsContact C-N 3.32Å
708D84Confident80.2Confident66 Ų6667.8 Ų67.835%0.35336%0.362SS..PPolyproline II helixtrans-71.6129.6169.5-77.9-13.3000109.9R451 N704R451-D708 IonicContact CZ-OD2 3.23Å; R451-D708 IonicContact NH1-OD2 3.09Å; R451-D708 PolarHBondContact NH1-OD2 2.99Å; R451-D708 IonicContact NH2-OD2 2.72Å; N704-D708 PolarHBondContact O-N 3.42Å
709E80.6Confident80.1Confident46 Ų4668.8 Ų68.822%0.21537%0.369CS..PPolyproline II helixtrans-73.7153.1179.9-64.4178.2134.500112.2Y317 C448 F449 R717Y317-E709 VanDerWaalsContact OH-CD 3.23Å; Y317-E709 PolarHBondContact OH-OE1 3.46Å; Y317-E709 VanDerWaalsContact OH-OE1 3.11Å; C448-E709 WeakPolarHBondContact O-CA 3.49Å; F449-E709 HydrophobicContact CE1-CG 3.87Å; E709-R717 IonicContact OE1-CZ 2.71Å; E709-R717 IonicContact OE1-NH1 3.64Å; E709-R717 PolarHBondContact OE1-NH1 3.46Å; E709-R717 IonicContact OE2-CZ 3.84Å; E709-R717 IonicContact OE2-NH1 3.52Å; E709-R717 PolarHBondContact OE2-NH1 3.19Å; E709-R717 IonicContact OE2-NH2 2.65Å; E709-R717 PolarHBondContact OE2-NH2 3.18Å
710S83.3Confident80.1Confident28 Ų2864.8 Ų64.820%0.19634%0.341CS..PPolyproline II helixtrans-65.4149.7167.776.50000111.6C448 E712 Q713 A714C448-S710 PolarHBondContact O-N 3.46Å; S710-E712 PolarHBondContact O-N 3.39Å; S710-Q713 PolarHBondContact O-N 3.07Å; S710-Q713 VanDerWaalsContact OG-CB 3.31Å; S710-Q713 WeakPolarHBondContact OG-CB 3.45Å; S710-Q713 PolarHBondContact OG-N 2.7Å; S710-Q713 VanDerWaalsContact OG-N 3.15Å; S710-A714 PolarHBondContact O-N 3.16Å
711Q82.1Confident80.7Confident161 Ų16164.8 Ų64.875%0.75233%0.334SS*.Hα-helixtrans-60-34.9177.4-69.8-172.8-1.500112.2A714 Q715Q711-A714 PolarHBondContact O-N 3.11Å; Q711-Q715 WeakPolarHBondContact O-CB 3.25Å; Q711-Q715 VanDerWaalsContact O-CG 3.26Å; Q711-Q715 WeakPolarHBondContact O-CG 3.31Å; Q711-Q715 PolarHBondContact O-N 3.3Å
712E79.9Confident81.4Confident156 Ų15669.7 Ų69.773%0.72934%0.338SS*.Hα-helixtrans-65.6-43.9176.5-173.4175.5179.800111.7S710 A714 Q715 R716S710-E712 PolarHBondContact O-N 3.39Å; E712-A714 PolarHBondContact O-N 3.02Å; E712-Q715 PolarHBondContact O-N 2.97Å; E712-R716 VanDerWaalsContact O-CB 3.3Å; E712-R716 WeakPolarHBondContact O-CB 3.45Å; E712-R716 PolarHBondContact O-N 3.09Å
713Q79.7Confident81.7Confident38 Ų3865.4 Ų65.418%0.17832%0.316CS..Hα-helixtrans-66.5-37.6177.1-174.959.722.300111.8Y314 S710 R717Y314-Q713 PolarHBondContact OH-NE2 3.34Å; Y314-Q713 VanDerWaalsContact OH-NE2 3.17Å; S710-Q713 PolarHBondContact O-N 3.07Å; S710-Q713 VanDerWaalsContact OG-CB 3.31Å; S710-Q713 WeakPolarHBondContact OG-CB 3.45Å; S710-Q713 PolarHBondContact OG-N 2.7Å; S710-Q713 VanDerWaalsContact OG-N 3.15Å; Q713-R717 PolarHBondContact O-N 3.46Å
714A80.6Confident82.5Confident27 Ų2761.9 Ų61.922%0.22330%0.299CS..Hα-helixtrans-64.5-46.3173.600000112S710 Q711 E712 R717 D718S710-A714 PolarHBondContact O-N 3.16Å; Q711-A714 PolarHBondContact O-N 3.11Å; E712-A714 PolarHBondContact O-N 3.02Å; A714-R717 PolarHBondContact O-N 2.83Å; A714-D718 PolarHBondContact O-N 3.01Å; A714-D718 VanDerWaalsContact O-N 3.08Å
715Q82.4Confident83Confident126 Ų12662.7 Ų62.759%0.58930%0.301SS*.Hα-helixtrans-60.9-45.5175.5-74.6174.219.200111.8Q711 E712 R717 D718 E719Q711-Q715 WeakPolarHBondContact O-CB 3.25Å; Q711-Q715 VanDerWaalsContact O-CG 3.26Å; Q711-Q715 WeakPolarHBondContact O-CG 3.31Å; Q711-Q715 PolarHBondContact O-N 3.3Å; E712-Q715 PolarHBondContact O-N 2.97Å; Q715-R717 PolarHBondContact O-N 2.95Å; Q715-D718 PolarHBondContact O-N 3.49Å; Q715-E719 WeakPolarHBondContact O-CB 3.31Å; Q715-E719 PolarHBondContact O-N 3.03Å
716R83.1Confident82.8Confident125 Ų12561.5 Ų61.547%0.47229%0.291SS..Hα-helixtrans-59.5-44.6176.7178.4-180172.6143.23.4112E310 E712 E719 V720E310-R716 IonicContact OE1-CZ 2.66Å; E310-R716 IonicContact OE1-NE 2.69Å; E310-R716 PolarHBondContact OE1-NE 3.18Å; E310-R716 IonicContact OE1-NH2 2.66Å; E310-R716 PolarHBondContact OE1-NH2 2.97Å; E310-R716 IonicContact OE2-NH2 4Å; E310-R716 PolarHBondContact OE2-NH2 3.43Å; E712-R716 VanDerWaalsContact O-CB 3.3Å; E712-R716 WeakPolarHBondContact O-CB 3.45Å; E712-R716 PolarHBondContact O-N 3.09Å; R716-E719 PolarHBondContact O-N 3.14Å; R716-V720 HydrophobicContact CG-CG2 4.41Å; R716-V720 WeakPolarHBondContact O-CB 3.25Å; R716-V720 WeakPolarHBondContact O-CG2 3.46Å; R716-V720 PolarHBondContact O-N 3.07Å
717R83.6Confident82.8Confident26 Ų2660.8 Ų60.810%0.09829%0.287CS..Hα-helixtrans-57.3-50.9174.1170176.862.6-129.5-11.9110.8Y314 E709 Q713 A714 Q715 E719 V720 L721Y314-R717 HydrophobicContact CD1-CB 4.39Å; Y314-R717 HydrophobicContact CD1-CG 4.15Å; Y314-R717 HydrophobicContact CD2-CB 4.09Å; Y314-R717 HydrophobicContact CD2-CG 3.87Å; Y314-R717 HydrophobicContact CE1-CB 4.49Å; Y314-R717 HydrophobicContact CE2-CB 4.18Å; Y314-R717 HydrophobicContact CE2-CG 4.46Å; Y314-R717 HydrophobicContact CG-CB 4.23Å; Y314-R717 HydrophobicContact CG-CG 3.72Å; E709-R717 IonicContact OE1-CZ 2.71Å; E709-R717 IonicContact OE1-NH1 3.64Å; E709-R717 PolarHBondContact OE1-NH1 3.46Å; E709-R717 IonicContact OE2-CZ 3.84Å; E709-R717 IonicContact OE2-NH1 3.52Å; E709-R717 PolarHBondContact OE2-NH1 3.19Å; E709-R717 IonicContact OE2-NH2 2.65Å; E709-R717 PolarHBondContact OE2-NH2 3.18Å; Q713-R717 PolarHBondContact O-N 3.46Å; A714-R717 PolarHBondContact O-N 2.83Å; Q715-R717 PolarHBondContact O-N 2.95Å; R717-E719 VanDerWaalsContact C-N 3.26Å; R717-E719 PolarHBondContact O-N 3.28Å; R717-V720 PolarHBondContact O-N 2.93Å; R717-L721 HydrophobicContact CG-CD1 3.72Å; R717-L721 HydrophobicContact CG-CG 4.24Å; R717-L721 WeakPolarHBondContact O-CB 3.37Å; R717-L721 WeakPolarHBondContact O-CG 3.41Å; R717-L721 PolarHBondContact O-N 2.88Å
718D82.8Confident82.8Confident71 Ų7163.9 Ų63.938%0.3830%0.301SS..Hα-helixtrans-66.3-31.2-176-70.4-0.9000112A714 Q715 R722A714-D718 PolarHBondContact O-N 3.01Å; A714-D718 VanDerWaalsContact O-N 3.08Å; Q715-D718 PolarHBondContact O-N 3.49Å; D718-R722 WeakPolarHBondContact O-CB 3.38Å; D718-R722 VanDerWaalsContact O-CG 3.3Å; D718-R722 WeakPolarHBondContact O-CG 3.13Å; D718-R722 PolarHBondContact O-N 3.44Å; D718-R722 VanDerWaalsContact O-N 3.15Å; D718-R722 PolarHBondContact O-NE 3.34Å
719E82.7Confident82.7Confident92 Ų9265 Ų6543%0.4330%0.304SS..Hα-helixtrans-69.3-49.9171.8-177.2176.9-170.400111.6Q25 Q715 R716 R717 L721 R722 T723Q25-E719 PolarHBondContact NE2-OE1 2.99Å; Q715-E719 WeakPolarHBondContact O-CB 3.31Å; Q715-E719 PolarHBondContact O-N 3.03Å; R716-E719 PolarHBondContact O-N 3.14Å; R717-E719 VanDerWaalsContact C-N 3.26Å; R717-E719 PolarHBondContact O-N 3.28Å; E719-L721 VanDerWaalsContact C-N 3.34Å; E719-L721 PolarHBondContact O-N 2.84Å; E719-R722 PolarHBondContact O-N 2.88Å; E719-T723 WeakPolarHBondContact O-CB 3.42Å; E719-T723 PolarHBondContact O-N 3.47Å; E719-T723 PolarHBondContact O-OG1 2.9Å
720V85.2Confident82.7Confident14 Ų1462.8 Ų62.89%0.08529%0.294CS..Hα-helixtrans-58.5-45.9177.8166.70000110.8L307 E310 A311 Y314 R716 R717 T723 H724L307-V720 HydrophobicContact CD2-CG1 4.39Å; E310-V720 HydrophobicContact CB-CG1 4.44Å; E310-V720 HydrophobicContact CG-CG1 4.2Å; A311-V720 HydrophobicContact CB-CG1 4.24Å; Y314-V720 HydrophobicContact CD2-CB 4.14Å; Y314-V720 HydrophobicContact CD2-CG1 3.91Å; Y314-V720 HydrophobicContact CE2-CB 3.99Å; Y314-V720 HydrophobicContact CE2-CG1 3.99Å; Y314-V720 HydrophobicContact CE2-CG2 4.24Å; R716-V720 HydrophobicContact CG-CG2 4.41Å; R716-V720 WeakPolarHBondContact O-CB 3.25Å; R716-V720 WeakPolarHBondContact O-CG2 3.46Å; R716-V720 PolarHBondContact O-N 3.07Å; R717-V720 PolarHBondContact O-N 2.93Å; V720-T723 PolarHBondContact O-N 3.24Å; V720-H724 WeakPolarHBondContact O-CB 3.34Å; V720-H724 PolarHBondContact O-N 3.23Å
721L85.4Confident82.7Confident49 Ų4962.5 Ų62.526%0.25729%0.29SS..Hα-helixtrans-64-42.2178.3-71175.9000112.6A311 R315 R717 E719 Q725A311-L721 HydrophobicContact CB-CD2 4.48Å; R315-L721 HydrophobicContact CG-CD2 3.88Å; R717-L721 HydrophobicContact CG-CD1 3.72Å; R717-L721 HydrophobicContact CG-CG 4.24Å; R717-L721 WeakPolarHBondContact O-CB 3.37Å; R717-L721 WeakPolarHBondContact O-CG 3.41Å; R717-L721 PolarHBondContact O-N 2.88Å; E719-L721 VanDerWaalsContact C-N 3.34Å; E719-L721 PolarHBondContact O-N 2.84Å; L721-Q725 WeakPolarHBondContact O-CB 3.37Å; L721-Q725 PolarHBondContact O-N 3.32Å; L721-Q725 VanDerWaalsContact O-N 3.07Å
722R81.2Confident82.8Confident147 Ų14757.7 Ų57.756%0.55528%0.278SS*.Hα-helixtrans-64.4-46.8175.1-82.9179.6-87.8174.6-12.8112.1D718 E719 H724 Q725 A726D718-R722 WeakPolarHBondContact O-CB 3.38Å; D718-R722 VanDerWaalsContact O-CG 3.3Å; D718-R722 WeakPolarHBondContact O-CG 3.13Å; D718-R722 PolarHBondContact O-N 3.44Å; D718-R722 VanDerWaalsContact O-N 3.15Å; D718-R722 PolarHBondContact O-NE 3.34Å; E719-R722 PolarHBondContact O-N 2.88Å; R722-H724 PolarHBondContact O-N 3.47Å; R722-Q725 PolarHBondContact O-N 3.13Å; R722-A726 WeakPolarHBondContact O-CB 3.45Å; R722-A726 PolarHBondContact O-N 3.3Å
723T81.3Confident82.6Confident8 Ų851 Ų515%0.04925%0.247CC..Hα-helixtrans-60-46.7178.2-51.20000110.9Q25 L307 E719 V720 Q725 A726 L727Q25-T723 VanDerWaalsContact CD-OG1 3.28Å; Q25-T723 PolarHBondContact NE2-OG1 3Å; Q25-T723 VanDerWaalsContact OE1-CG2 3.26Å; Q25-T723 PolarHBondContact OE1-OG1 3.07Å; L307-T723 HydrophobicContact CD1-CG2 3.68Å; E719-T723 WeakPolarHBondContact O-CB 3.42Å; E719-T723 PolarHBondContact O-N 3.47Å; E719-T723 PolarHBondContact O-OG1 2.9Å; V720-T723 PolarHBondContact O-N 3.24Å; T723-Q725 PolarHBondContact O-N 3.01Å; T723-A726 PolarHBondContact O-N 2.94Å; T723-L727 HydrophobicContact CG2-CD1 4.1Å; T723-L727 HydrophobicContact CG2-CG 4.48Å; T723-L727 WeakPolarHBondContact O-CB 3.5Å; T723-L727 VanDerWaalsContact O-CG 3.29Å; T723-L727 WeakPolarHBondContact O-CG 3.41Å; T723-L727 PolarHBondContact O-N 3.38Å
724H87.7Confident82.4Confident0 Ų049.3 Ų49.30%024%0.239CC..Hα-helixtrans-60-45.5178.7-175.5-115000112.7L304 D308 A311 R315 V720 R722 K728L304-H724 WeakPolarHBondContact CD1-CD2 2.92Å; D308-H724 IonicContact OD1-CD2 2.73Å; D308-H724 IonicContact OD1-CE1 3.17Å; D308-H724 PolarHBondContact OD1-CE1 2.79Å; D308-H724 IonicContact OD1-NE2 2.7Å; D308-H724 PolarHBondContact OD1-NE2 3.18Å; A311-H724 HydrophobicContact CB-CB 3.9Å; A311-H724 VanDerWaalsContact CB-CG 3.45Å; R315-H724 VanDerWaalsContact CZ-CE1 3.43Å; R315-H724 PolarHBondContact NH2-CE1 2.77Å; R315-H724 PolarHBondContact NH2-ND1 3.33Å; R315-H724 VanDerWaalsContact NH2-ND1 3.15Å; V720-H724 WeakPolarHBondContact O-CB 3.34Å; V720-H724 PolarHBondContact O-N 3.23Å; R722-H724 PolarHBondContact O-N 3.47Å; H724-K728 WeakPolarHBondContact CE1-CE 3.49Å; H724-K728 PolarHBondContact CE1-NZ 3.44Å; H724-K728 WeakPolarHBondContact NE2-CE 3.44Å; H724-K728 PolarHBondContact O-N 3.38Å
725Q84.4Confident82Confident85 Ų8549.4 Ų49.440%0.39724%0.242SC..Hα-helixtrans-63.9-47.3177.7179.256.926.900111.6L721 R722 T723 L727 K728 E729L721-Q725 WeakPolarHBondContact O-CB 3.37Å; L721-Q725 PolarHBondContact O-N 3.32Å; L721-Q725 VanDerWaalsContact O-N 3.07Å; R722-Q725 PolarHBondContact O-N 3.13Å; T723-Q725 PolarHBondContact O-N 3.01Å; Q725-L727 PolarHBondContact O-N 3.46Å; Q725-K728 WeakPolarHBondContact O-CB 3.44Å; Q725-K728 PolarHBondContact O-N 2.93Å; Q725-K728 VanDerWaalsContact O-N 3.12Å; Q725-E729 WeakPolarHBondContact CG-OE1 3.43Å; Q725-E729 PolarHBondContact NE2-OE1 3.32Å; Q725-E729 PolarHBondContact O-N 3.48Å
726A79.7Confident81.2Confident6 Ų649 Ų495%0.0525%0.245CC..Hα-helixtrans-68.7-32.3-179.300000113.1I23 R722 T723 K728 E729 A730I23-A726 HydrophobicContact CD1-CB 3.28Å; I23-A726 HydrophobicContact CG1-CB 3.63Å; R722-A726 WeakPolarHBondContact O-CB 3.45Å; R722-A726 PolarHBondContact O-N 3.3Å; T723-A726 PolarHBondContact O-N 2.94Å; A726-K728 VanDerWaalsContact C-N 3.33Å; A726-K728 PolarHBondContact O-N 2.85Å; A726-E729 PolarHBondContact O-N 3.16Å; A726-A730 WeakPolarHBondContact O-CB 3.09Å; A726-A730 PolarHBondContact O-N 2.95Å
727L83.9Confident80.1Confident3 Ų343.8 Ų43.82%0.01623%0.226CC..Hα-helixtrans-62.4-38.4169.7-76.2171.5000112F20 L300 Q303 L304 L307 T723 Q725 L731F20-L727 HydrophobicContact CE1-CD2 3.99Å; F20-L727 HydrophobicContact CZ-CD2 4.2Å; L300-L727 HydrophobicContact CB-CD2 4.46Å; L300-L727 HydrophobicContact CD2-CD2 3.73Å; Q303-L727 HydrophobicContact CB-CD1 4.18Å; Q303-L727 HydrophobicContact CB-CD2 4.5Å; L304-L727 HydrophobicContact CB-CB 4.39Å; L304-L727 HydrophobicContact CB-CD1 4.49Å; L304-L727 HydrophobicContact CD1-CB 3.98Å; L307-L727 HydrophobicContact CD1-CD1 3.86Å; T723-L727 HydrophobicContact CG2-CD1 4.1Å; T723-L727 HydrophobicContact CG2-CG 4.48Å; T723-L727 WeakPolarHBondContact O-CB 3.5Å; T723-L727 VanDerWaalsContact O-CG 3.29Å; T723-L727 WeakPolarHBondContact O-CG 3.41Å; T723-L727 PolarHBondContact O-N 3.38Å; Q725-L727 PolarHBondContact O-N 3.46Å; L727-L731 WeakPolarHBondContact O-CB 3.39Å; L727-L731 WeakPolarHBondContact O-CG 3.45Å; L727-L731 PolarHBondContact O-N 3.34Å
728K85.6Confident78.6Confident67 Ų6746.8 Ų46.829%0.29125%0.251SS..Hα-helixtrans-66-43.2173.9-72.5-176.4-179.2-1730111.7L304 D308 H724 Q725 A726 L731 A732L304-K728 HydrophobicContact CD1-CD 4.44Å; L304-K728 HydrophobicContact CD1-CG 3.76Å; L304-K728 HydrophobicContact CD2-CG 3.8Å; L304-K728 HydrophobicContact CG-CG 4.47Å; D308-K728 IonicContact OD1-NZ 2.71Å; D308-K728 PolarHBondContact OD1-NZ 2.96Å; H724-K728 WeakPolarHBondContact CE1-CE 3.49Å; H724-K728 PolarHBondContact CE1-NZ 3.44Å; H724-K728 WeakPolarHBondContact NE2-CE 3.44Å; H724-K728 PolarHBondContact O-N 3.38Å; Q725-K728 WeakPolarHBondContact O-CB 3.44Å; Q725-K728 PolarHBondContact O-N 2.93Å; Q725-K728 VanDerWaalsContact O-N 3.12Å; A726-K728 VanDerWaalsContact C-N 3.33Å; A726-K728 PolarHBondContact O-N 2.85Å; K728-L731 PolarHBondContact O-N 2.8Å; K728-A732 WeakPolarHBondContact O-CB 3.33Å; K728-A732 PolarHBondContact O-N 3.03Å
729E82.5Confident77.1Confident90 Ų9049.5 Ų49.542%0.42127%0.27SS..Hα-helixtrans-63.5-44.2176.3-71.3173.4-159.900112Q725 A726 L731 A732 I733Q725-E729 WeakPolarHBondContact CG-OE1 3.43Å; Q725-E729 PolarHBondContact NE2-OE1 3.32Å; Q725-E729 PolarHBondContact O-N 3.48Å; A726-E729 PolarHBondContact O-N 3.16Å; E729-L731 PolarHBondContact O-N 3.03Å; E729-A732 WeakPolarHBondContact O-CB 3.41Å; E729-A732 PolarHBondContact O-N 3.06Å; E729-I733 VanDerWaalsContact O-CG1 3.29Å; E729-I733 WeakPolarHBondContact O-CG1 3.36Å; E729-I733 PolarHBondContact O-N 2.85Å
730A79.6Confident75.4Confident0 Ų048.3 Ų48.30%027%0.272CS..Hα-helixtrans-61.3-42.5175.100000112.5L16 F20 L300 A726 I733 I734L16-A730 HydrophobicContact CD2-CB 3.84Å; F20-A730 HydrophobicContact CD2-CB 4.46Å; F20-A730 HydrophobicContact CE1-CB 4.37Å; F20-A730 HydrophobicContact CE2-CB 3.37Å; F20-A730 HydrophobicContact CZ-CB 3.31Å; L300-A730 HydrophobicContact CD1-CB 4.12Å; A726-A730 WeakPolarHBondContact O-CB 3.09Å; A726-A730 PolarHBondContact O-N 2.95Å; A730-I733 PolarHBondContact O-N 3.49Å; A730-I734 VanDerWaalsContact O-CG1 3.25Å; A730-I734 WeakPolarHBondContact O-CG1 3.19Å; A730-I734 PolarHBondContact O-N 2.7Å
731L83.7Confident73.7Confident21 Ų2149.9 Ų49.911%0.1128%0.282CS..Hα-helixtrans-69-32.2176.6-76.3169.7000113.1R297 L300 Q301 L304 L727 K728 E729 I734 G735R297-L731 HydrophobicContact CG-CD2 3.97Å; L300-L731 HydrophobicContact CB-CD1 4.46Å; L300-L731 HydrophobicContact CB-CD2 3.84Å; L300-L731 HydrophobicContact CB-CG 4.1Å; Q301-L731 HydrophobicContact CG-CD1 3.94Å; Q301-L731 HydrophobicContact CG-CD2 3.63Å; Q301-L731 HydrophobicContact CG-CG 4.47Å; L304-L731 HydrophobicContact CB-CD1 4.17Å; L304-L731 HydrophobicContact CD2-CD1 3.66Å; L727-L731 WeakPolarHBondContact O-CB 3.39Å; L727-L731 WeakPolarHBondContact O-CG 3.45Å; L727-L731 PolarHBondContact O-N 3.34Å; K728-L731 PolarHBondContact O-N 2.8Å; E729-L731 PolarHBondContact O-N 3.03Å; L731-I734 PolarHBondContact O-N 3.48Å; L731-G735 PolarHBondContact O-N 2.86Å
732A82.8Confident71.9Confident61 Ų6153.7 Ų53.750%0.50430%0.301SS..Hα-helixtrans-64.7-49.3171.100000110.9K728 E729 I734 G735 D736K728-A732 WeakPolarHBondContact O-CB 3.33Å; K728-A732 PolarHBondContact O-N 3.03Å; E729-A732 WeakPolarHBondContact O-CB 3.41Å; E729-A732 PolarHBondContact O-N 3.06Å; A732-I734 PolarHBondContact O-N 3.48Å; A732-G735 WeakPolarHBondContact O-CA 3.44Å; A732-G735 PolarHBondContact O-N 3.2Å; A732-D736 PolarHBondContact O-N 3.31Å
733I76.6Confident70.2Confident16 Ų1651.9 Ų51.98%0.08231%0.306CS..Hα-helixtrans-55.1-41.3174.8-67.8163.5000111L12 L16 E729 A730 G735L12-I733 HydrophobicContact CD1-CG2 3.62Å; L12-I733 WeakPolarHBondContact CD1-O 3.45Å; L12-I733 HydrophobicContact CD2-CG2 4.5Å; L12-I733 HydrophobicContact CG-CG2 3.73Å; L16-I733 HydrophobicContact CD2-CB 3.96Å; L16-I733 HydrophobicContact CD2-CD1 4.3Å; L16-I733 HydrophobicContact CD2-CG2 3.77Å; L16-I733 HydrophobicContact CG-CG2 3.89Å; E729-I733 VanDerWaalsContact O-CG1 3.29Å; E729-I733 WeakPolarHBondContact O-CG1 3.36Å; E729-I733 PolarHBondContact O-N 2.85Å; A730-I733 PolarHBondContact O-N 3.49Å; I733-G735 VanDerWaalsContact C-N 3.33Å; I733-G735 PolarHBondContact O-N 3.02Å
734I76.1Confident68.8Low1 Ų155 Ų551%0.00533%0.325CS..Hα-helixtrans-70.4-28.8177.4-65.9166.2000112.6L16 L293 F296 R297 L300 A730 L731 A732 D736 I737L16-I734 HydrophobicContact CD1-CD1 4.35Å; L16-I734 HydrophobicContact CD1-CG1 3.97Å; L16-I734 HydrophobicContact CD2-CD1 4.39Å; L16-I734 HydrophobicContact CD2-CG1 4.17Å; L293-I734 HydrophobicContact CD1-CD1 4.43Å; L293-I734 HydrophobicContact CD1-CG1 4.11Å; L293-I734 HydrophobicContact CD1-CG2 4.06Å; L293-I734 HydrophobicContact CG-CG2 4.22Å; F296-I734 HydrophobicContact CD1-CD1 3.87Å; F296-I734 HydrophobicContact CE1-CD1 3.9Å; R297-I734 HydrophobicContact CB-CG2 3.98Å; R297-I734 HydrophobicContact CG-CG2 3.93Å; L300-I734 HydrophobicContact CD1-CD1 3.63Å; A730-I734 VanDerWaalsContact O-CG1 3.25Å; A730-I734 WeakPolarHBondContact O-CG1 3.19Å; A730-I734 PolarHBondContact O-N 2.7Å; L731-I734 PolarHBondContact O-N 3.48Å; A732-I734 PolarHBondContact O-N 3.48Å; I734-D736 VanDerWaalsContact C-N 3.34Å; I734-D736 PolarHBondContact O-N 2.97Å; I734-I737 HydrophobicContact CB-CD1 4.46Å
735G71.7Confident66.8Low29 Ų2961.1 Ų61.130%0.29937%0.365SS..Hα-helixtrans-61.1-39.2179.700000113.7L731 A732 I733 I737L731-G735 PolarHBondContact O-N 2.86Å; A732-G735 WeakPolarHBondContact O-CA 3.44Å; A732-G735 PolarHBondContact O-N 3.2Å; I733-G735 VanDerWaalsContact C-N 3.33Å; I733-G735 PolarHBondContact O-N 3.02Å; G735-I737 PolarHBondContact O-N 2.78Å
736D66.6Low65.2Low119 Ų11960.9 Ų60.964%0.63637%0.365SS*.THydrogen-bonded Turntrans-69.4-13.7-173.7-64.6-23.6000114.1A732 I734 T739A732-D736 PolarHBondContact O-N 3.31Å; I734-D736 VanDerWaalsContact C-N 3.34Å; I734-D736 PolarHBondContact O-N 2.97Å; D736-T739 PolarHBondContact O-OG1 3.48Å
737I59Low63.9Low14 Ų1463.8 Ų63.87%0.07238%0.383CS..THydrogen-bonded Turntrans-89.2-33.3-168.4-53.8157.5000113.3L9 L12 L293 I734 G735 T739 S740L9-I737 HydrophobicContact CD2-CG2 3.52Å; L12-I737 HydrophobicContact CD1-CD1 3.6Å; L12-I737 HydrophobicContact CD1-CG1 3.47Å; L12-I737 VanDerWaalsContact CD1-CG1 3.47Å; L12-I737 HydrophobicContact CD2-CD1 3.27Å; L12-I737 HydrophobicContact CD2-CG1 4Å; L12-I737 HydrophobicContact CG-CD1 4.03Å; L12-I737 HydrophobicContact CG-CG1 4.35Å; L293-I737 HydrophobicContact CD1-CD1 4.38Å; L293-I737 HydrophobicContact CD2-CB 4.32Å; L293-I737 HydrophobicContact CD2-CD1 3.62Å; L293-I737 HydrophobicContact CD2-CG2 3.97Å; I734-I737 HydrophobicContact CB-CD1 4.46Å; G735-I737 PolarHBondContact O-N 2.78Å; I737-T739 PolarHBondContact O-N 3.02Å; I737-S740 PolarHBondContact O-N 2.83Å; I737-S740 PolarHBondContact O-OG 3.06Å
738S52.8Low62.3Low90 Ų9068.5 Ų68.563%0.62941%0.414SS*.THydrogen-bonded Turntrans-69.55.2-165.7-58.60000114.7
739T50.9Low60.9Low127 Ų12770.8 Ų70.878%0.77944%0.436SS*.THydrogen-bonded Turntrans-111-7.2-172.155.30000114.5D736 I737D736-T739 PolarHBondContact O-OG1 3.48Å; I737-T739 PolarHBondContact O-N 3.02Å
740S45.8Very low60.1Low67 Ų6769.6 Ų69.647%0.46944%0.435SS..SBendtrans-130.18.2-157.4630000118.8I737I737-S740 PolarHBondContact O-N 2.83Å; I737-S740 PolarHBondContact O-OG 3.06Å
741T50.7Low58.6Low48 Ų4875 Ų7529%0.29446%0.463SS..  trans-125.9147.2-169.365.90000117.1G5 L9 R290G5-T741 WeakPolarHBondContact O-CG2 3.13Å; L9-T741 HydrophobicContact CD1-CG2 4.35Å; R290-T741 PolarHBondContact NE-OG1 2.94Å
742I47.3Very low57Low128 Ų12878 Ų7866%0.65649%0.486SS*.  trans-115.4146.4-179.3-60.9174.1000110.4R290R290-I742 PolarHBondContact NH1-O 3.03Å; R290-I742 PolarHBondContact NH2-O 3.09Å
743T45.9Very low55.2Low109 Ų10978.6 Ų78.667%0.66949%0.487SS*.  trans-98.1154.8-171.150.30000115.5
744T51.4Low54Low74 Ų7489.3 Ų89.345%0.45453%0.526SS..  trans-122.4132.2159.951.30000109N287N287-T744 PolarHBondContact ND2-OG1 2.92Å
745P45.6Very low52.6Low129 Ų12995 Ų9584%0.83856%0.561SS**PPolyproline II helixtrans-62.7145.4-178.8-22.433.4000113.7
746M51Low51.1Low79 Ų7997.6 Ų97.639%0.38959%0.587SS.*PPolyproline II helixtrans-68.6150.3168.6-68.7-171.384.300111.5
747P52.8Low49.8Very low67 Ų6795 Ų9544%0.43559%0.589SS.*PPolyproline II helixtrans-58.4152.9167.6-22.533.7000112.7R228R228-P747 PolarHBondContact NE-O 2.95Å; R228-P747 PolarHBondContact NH2-O 3.28Å
748P50.7Low48.9Very low103 Ų103100.1 Ų100.167%0.66963%0.626SS**PPolyproline II helixtrans-62162.9176.227-35000112.3
749P55Low48.1Very low114 Ų114102.6 Ų102.674%0.7464%0.638SS**PPolyproline II helixtrans-58.1146.5173.2-20.332.8000111.4
750V65.7Low47.7Very low66 Ų66101 Ų10140%0.465%0.646SS.*PPolyproline II helixtrans-96.3141.2177-153.10000109.5P226 R228 S752P226-V750 HydrophobicContact CB-CB 4.02Å; P226-V750 HydrophobicContact CB-CG1 3.4Å; P226-V750 HydrophobicContact CG-CG1 4.3Å; R228-V750 HydrophobicContact CB-CG2 4.47Å; V750-S752 PolarHBondContact O-N 3.13Å
751D48.9Very low47.1Very low112 Ų112101.1 Ų101.160%0.59966%0.658SS**PPolyproline II helixtrans-69.8127.1-178.5-177.321000111.5S753D751-S753 VanDerWaalsContact OD1-CB 3.32Å; D751-S753 WeakPolarHBondContact OD1-CB 3.38Å; D751-S753 PolarHBondContact OD1-N 2.78Å; D751-S753 PolarHBondContact OD1-OG 2.71Å; D751-S753 WeakPolarHBondContact OD2-CB 3.32Å; D751-S753 PolarHBondContact OD2-OG 3.43Å
752S49Very low46.2Very low85 Ų85110.9 Ų110.959%0.59469%0.689SS**  trans-107.115.9-178.5560000113.1V750 W754 V755V750-S752 PolarHBondContact O-N 3.13Å; S752-W754 PolarHBondContact O-N 2.66Å; S752-V755 PolarHBondContact O-N 3.11Å
753S46.1Very low45.6Very low73 Ų73116.5 Ų116.551%0.5170%0.702SS.*G310 helixtrans-50-23.7-178.753.10000116D751 V755D751-S753 VanDerWaalsContact OD1-CB 3.32Å; D751-S753 WeakPolarHBondContact OD1-CB 3.38Å; D751-S753 PolarHBondContact OD1-N 2.78Å; D751-S753 PolarHBondContact OD1-OG 2.71Å; D751-S753 WeakPolarHBondContact OD2-CB 3.32Å; D751-S753 PolarHBondContact OD2-OG 3.43Å; S753-V755 VanDerWaalsContact C-N 3.32Å; S753-V755 PolarHBondContact O-N 2.66Å
754W51Low45Very low241 Ų241116.7 Ų116.791%0.91371%0.708SS**G310 helixtrans-75.5-9.6177.9-65.385.1000115.3S752S752-W754 PolarHBondContact O-N 2.66Å
755V46.7Very low44.3Very low121 Ų121118.9 Ų118.973%0.73372%0.723SS**G310 helixtrans-90.1-3.3-175.3-1720000112.7S752 S753 G757S752-V755 PolarHBondContact O-N 3.11Å; S753-V755 VanDerWaalsContact C-N 3.32Å; S753-V755 PolarHBondContact O-N 2.66Å; V755-G757 VanDerWaalsContact C-N 3.32Å; V755-G757 PolarHBondContact O-N 3.31Å
756G40.6Very low43.9Very low83 Ų83118.1 Ų118.186%0.85672%0.719SS**  trans-80.649.8-173.900000116.7
757G38.5Very low43.2Very low65 Ų65120.5 Ų120.567%0.6774%0.74SS**  trans-125112.4-179.900000113.9V755V755-G757 VanDerWaalsContact C-N 3.32Å; V755-G757 PolarHBondContact O-N 3.31Å
758S40.8Very low42.1Very low121 Ų121122.4 Ų122.485%0.84676%0.755SS**SBendtrans71.175.4172-173.60000118.6
759T35.8Very low42Very low143 Ų143123.1 Ų123.188%0.87776%0.759SS**  -147.3141.1127.143.50000109.8
760G43.4Very low40.9Very low93 Ų93125 Ų12596%0.95977%0.769SS**  trans-78.3121-174.800000113.3
761G32.8Very low39.1Very low69 Ų69126 Ų12671%0.71179%0.785SS**  trans-142.2133.7173.100000111.1
762R32.2Very low39.3Very low254 Ų254126.2 Ų126.296%0.95879%0.792SS**  trans-62.8132.3-173-71.8173.2167.2176.1-5.7112.1
763R33.5Very low38.3Very low246 Ų246132.5 Ų132.593%0.92880%0.803SS**  trans-79.7136.1168.2-75.8-179.4170.6176.9-3.3111
764S33.7Very low37.4Very low113 Ų113138.8 Ų138.879%0.7982%0.815SS**  trans-107.6145.6159.2-62.10000109.3
765P35.8Very low36.4Very low119 Ų119136 Ų13677%0.77382%0.815SS**PPolyproline II helixtrans-80.7156.7-173.132.3-35.5000113.5
766P36.9Very low35.5Very low114 Ų114135.2 Ų135.274%0.7481%0.814SS**PPolyproline II helixtrans-88152.5179.135.8-34.8000112.8
767P36.7Very low35.1Very low128 Ų128136.9 Ų136.983%0.83181%0.813SS**PPolyproline II helixtrans-91138.2166.234.4-30.4000112.2
768S31.3Very low34.7Very low107 Ų107137.4 Ų137.475%0.74882%0.819SS**  trans-137.6174.1170.4-54.90000108.4
769P47.1Very low34.2Very low118 Ų118139.6 Ų139.677%0.76682%0.815SS**  -125.4162.8-83.134.8-19000112.9
770T32.3Very low34Very low153 Ų153143.1 Ų143.194%0.93981%0.812SS**  trans-152.8140.8161-7.40000112.9
771A28.2Very low34Very low89 Ų89143.8 Ų143.874%0.73680%0.8SS**  trans-147.8-169.4172.800000106.4
772P52.5Low34.2Very low116 Ų116145.1 Ų145.175%0.75380%0.804SS**  cis-131.5175.3-27.536.9-21.7000113
773R28.5Very low34.8Very low216 Ų216138.4 Ų138.482%0.81579%0.793SS**  177.6131.9125-103.3176.4169.9-171.7-2.2117.1
774R28.1Very low34.8Very low206 Ų206138.7 Ų138.778%0.77780%0.795SS**  trans40.5120143-69.7-178.8168.6-179.6-5.4120.3
775M28.8Very low34.7Very low183 Ų183137.3 Ų137.390%0.90180%0.798SS**  67.212368.8-70.4-176.316200113.7
776S28.7Very low34.5Very low104 Ų104136.4 Ų136.473%0.72780%0.801SS**  -168.6160.869.956.10000116.2
777S30.9Very low34.8Very low117 Ų117136.8 Ų136.882%0.81880%0.803SS**  trans41.2139.314760.40000122.4
778G29.8Very low34.8Very low77 Ų77136.5 Ų136.579%0.79480%0.802SS**  cis-177.9-178.35.500000112.6
779Q31.8Very low35.2Very low167 Ų167137.2 Ų137.278%0.7880%0.804SS**  trans-92176.8-176.6-53.9-17232.600112.5
780R30.1Very low35.2Very low216 Ų216137.8 Ų137.882%0.81581%0.807SS**  cis-165.9-158.610.8-135.5172.4-168.4-157.90106.3
781P45.3Very low35.2Very low107 Ų107138.2 Ų138.270%0.69580%0.804SS**  cis-130.6148-34.335.5-17.9000116.5
782A35.6Very low35.3Very low97 Ų97144.9 Ų144.980%0.80281%0.81SS**  trans45.1167.7133.600000124.2
783P45.2Very low34.7Very low113 Ų113145.5 Ų145.573%0.73481%0.814SS**  cis-138.6177.2-13.440.4-21.9000118.1
784R33.8Very low34.7Very low253 Ų253138.7 Ų138.796%0.95581%0.811SS**  trans74.3129.8150.4-83.1179.6175.9-178.3-1.2122.9
785G30.6Very low35.8Very low84 Ų84134.7 Ų134.787%0.86681%0.812SS**  trans167.3142.8161.600000113.4
786A33.1Very low35.9Very low100 Ų100134.8 Ų134.883%0.82682%0.815SS**  trans-108.1168.4-173.500000113.6
787P41.9Very low35.8Very low122 Ų122133.1 Ų133.179%0.79281%0.814SS**  trans-100.7158.9-164.238.2-35000116.5
788P36.7Very low36.5Very low122 Ų122132.8 Ų132.879%0.79281%0.809SS**  trans-108.5174.4174.840.4-33000115.4
789P39.7Very low36.5Very low122 Ų122138.1 Ų138.179%0.79281%0.811SS**  trans-102.6178.8-164.341.2-36.4000116
790P46.8Very low36.3Very low130 Ų130136.8 Ų136.884%0.84481%0.809SS**  trans-96.7171.2-167.238.4-35.5000115.7
791N32.2Very low36.2Very low161 Ų161132.7 Ų132.786%0.86180%0.804SS**  trans-133.2160.2-175.2-154.72.7000114.3
792R32.2Very low35.4Very low229 Ų229132.4 Ų132.486%0.86480%0.804SS**  trans-79159.7-173.1-68.2174.5171.1170-4.2114.8
793P39.7Very low35.1Very low130 Ų130132.4 Ų132.484%0.84480%0.804SS**  trans-99.6160.6163.337.5-31.5000114.2
794G27.4Very low34.4Very low73 Ų73134.3 Ų134.375%0.75381%0.808SS**  trans-137.1170.5167.500000111.4
795P52.1Low34.1Very low122 Ų122127.1 Ų127.179%0.79280%0.797SS**  trans-112167.7-156.540.6-34.3000116.1
796L29.8Very low34.3Very low184 Ų184129.5 Ų129.596%0.96380%0.797SS**  trans179.6153142-94.9158.1000111.1
797G26.2Very low34.1Very low69 Ų69134 Ų13471%0.71180%0.8SS**  trans-98.3-145.9-178.200000114.1
798P47Very low33.5Very low111 Ų111132.4 Ų132.472%0.72180%0.798SS**  cis-141.7-170.40.228.7-2000116.8
799F28.6Very low33.3Very low188 Ų188133 Ų13383%0.82580%0.801SS**  trans105.799.1154.6-69.3-64.4000124
800N29.1Very low32.8Very low140 Ų140132.8 Ų132.875%0.74980%0.803SS**  102.3144.6109.4-142.226.1000125
801N28Very low32.2Very low130 Ų130138.1 Ų138.170%0.69581%0.807SS**  trans92.6101.4158.1-84.99.4000124.8
802S27.8Very low32.3Very low101 Ų101136.4 Ų136.471%0.70680%0.804SS**  82.1107.5119.966.60000124.4
803A29.5Very low32.2Very low96 Ų96133.7 Ų133.779%0.79381%0.807SS**  68.3146.312400000122
804D31Very low32Very low153 Ų153138.8 Ų138.882%0.81881%0.809SS**  cis-163.9161.2-31.6-146-21.6000109
805S27.6Very low32.4Very low103 Ų103139.5 Ų139.572%0.7281%0.808SS**  trans-157.3147.7173-80.10000112.9
806P34Very low31.8Very low133 Ų133139.4 Ų139.486%0.86481%0.808SS**  trans-79.8151-152.829.9-36.6000116.4
807Q28.3Very low32.1Very low194 Ų194136.4 Ų136.491%0.90780%0.799SS**  trans-89.7155.6-173.7-66.1175.2-23.400114.9
808A29.9Very low32.5Very low90 Ų90139 Ų13974%0.74481%0.807SS**  trans-119.3152.9152.400000109.3
809P31.7Very low32.1Very low133 Ų133141.2 Ų141.286%0.86481%0.81SS**PPolyproline II helixtrans-86.2130.5-15731.9-35.5000114.9
810S30.3Very low32.4Very low119 Ų119137.9 Ų137.983%0.83281%0.808SS**PPolyproline II helixtrans-93.7130.1173.245.50000112.4
811R33.4Very low32.6Very low242 Ų242137.2 Ų137.291%0.91381%0.814SS**PPolyproline II helixtrans-74.8151.2172.4-84.5-180170.3173.9-2.6111.4
812P35.1Very low33.1Very low125 Ų125142.8 Ų142.881%0.81283%0.825SS**PPolyproline II helixtrans-73139.418029.6-34.6000112.5
813N30.9Very low33.7Very low172 Ų172149.3 Ų149.392%0.9283%0.834SS**PPolyproline II helixtrans-79.6124.1179.5-147.8-1.1000110
814R34Very low34.5Very low236 Ų236150.2 Ų150.289%0.89183%0.832SS**  trans-122.5116.6-177.6-161.2178.5-166174.94.7109.6
815A36.8Very low35.3Very low89 Ų89148.5 Ų148.574%0.73683%0.829SS**PPolyproline II helixtrans-65.7144.4178.600000111.7
816P38Very low35.9Very low120 Ų120149.6 Ų149.678%0.77983%0.834SS**PPolyproline II helixtrans-75.5147.1177.830.9-34.5000111.9
817P36.2Very low36.2Very low120 Ų120148.8 Ų148.878%0.77983%0.832SS**PPolyproline II helixtrans-76.714617731.8-34.4000112.2
818S34.5Very low36.9Very low125 Ų125145.7 Ų145.787%0.87483%0.828SS**PPolyproline II helixtrans-75.9131.9176.840.20000112.4
819I39.4Very low37.5Very low156 Ų156148.1 Ų148.180%0.883%0.834SS**PPolyproline II helixtrans-101.6137.6178.6-62.1175.8000109.8
820P35.3Very low38Very low118 Ų118153.7 Ų153.777%0.76684%0.838SS**PPolyproline II helixtrans-72.6143.9178.9-15.130000113.4R822P820-R822 PolarHBondContact O-N 2.74Å
821S33.5Very low38.6Very low126 Ų126156.7 Ų156.788%0.88184%0.839SS**PPolyproline II helixtrans-76.2119.5177.441.50000112.8
822R36.9Very low39Very low247 Ų247149.6 Ų149.693%0.93283%0.832SS**PPolyproline II helixtrans-81.4128.8166-84.2-175.2169-169.8-2.9110.3P820P820-R822 PolarHBondContact O-N 2.74Å
823R40.4Very low39.3Very low238 Ų238149.2 Ų149.290%0.89883%0.83SS**PPolyproline II helixtrans-71.8145.7165-77.1-176.3172.6-168.4-2110.7
824P47.5Very low40.5Very low116 Ų116150.6 Ų150.675%0.75385%0.848SS**PPolyproline II helixtrans-74.3156.8164.831.9-33000111.4
825P47.1Very low40.8Very low116 Ų116146.4 Ų146.475%0.75385%0.846SS**PPolyproline II helixtrans-74.8157.5175.132.6-35.3000112.1
826P41Very low41Very low127 Ų127149.4 Ų149.483%0.82585%0.852SS**PPolyproline II helixtrans-78.1138.3178.731.7-34000112.5
827S39.8Very low41.2Very low115 Ų115151 Ų15180%0.80486%0.856SS**PPolyproline II helixtrans-72.5143.8170.8-48.80000111.4
828P43.4Very low41.5Very low129 Ų129152.8 Ų152.884%0.83886%0.86SS**PPolyproline II helixtrans-73.8136.5179.829.6-34.1000112.3
829T42.7Very low41.9Very low142 Ų142154.6 Ų154.687%0.87186%0.86SS**PPolyproline II helixtrans-68.5128.3173.8250000111.6
830R42.7Very low42.1Very low249 Ų249154.5 Ų154.594%0.9486%0.864SS**PPolyproline II helixtrans-98.2117.7170.9-163.3176.2-172-179.52.2109.8
831Q41.9Very low42.6Very low182 Ų182157.1 Ų157.185%0.8587%0.871SS**PPolyproline II helixtrans-77.2144.9172.8-65.9172.2-16.200110.5
832A41.3Very low43.3Very low94 Ų94159.5 Ų159.578%0.77787%0.87SS**PPolyproline II helixtrans-96.9142.5151.300000107.2
833P42.5Very low43.8Very low117 Ų117152.2 Ų152.276%0.7687%0.865SS**  -148.3-170.88634.3-12.7000112.8
834P55.6Low44.1Very low201 Ų201144.4 Ų144.4100%1.30586%0.861SS**  cis-105.80-7.440.1-30.2000115.1

Retrieved 834 of 834 residues in 265.1 ms (Link to these results)

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