X2JE45_DROME Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession X2JE45, Species DROME (Drosophila melanogaster, Fruit fly), Gene Dmel\CG33090, Length 799 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
1M24.6Very low29.8Very low79 Ų7962.3 Ų62.339%0.38932%0.318SS..  0-23.40-88.4166-177.700110.7M3 L4 N5 D330M1-M3 PolarHBondContact O-N 2.96Å; M1-M3 VanDerWaalsContact O-N 3.14Å; M1-L4 CarbonylContact O-C 3.57Å; M1-L4 WeakPolarHBondContact O-CA 3.37Å; M1-L4 WeakPolarHBondContact O-CB 3.48Å; M1-L4 PolarHBondContact O-N 2.86Å; M1-N5 PolarHBondContact O-N 2.96Å; M1-D330 HydrophobicContact CB-CB 4.46Å; M1-D330 WeakPolarHBondContact CB-OD1 3.23Å
2D25.2Very low30.1Very low65 Ų6557.5 Ų57.535%0.34830%0.296SS..Hα-helixtrans-39.7-44.3169.2-66-31.8000118.6L4 N5 K6 D330 H364D2-L4 VanDerWaalsContact C-N 3.3Å; D2-L4 PolarHBondContact O-N 2.67Å; D2-N5 PolarHBondContact O-N 3.21Å; D2-K6 PolarHBondContact O-N 3.29Å; D2-K6 VanDerWaalsContact O-N 3.13Å; D2-D330 PolarHBondContact N-OD1 3.16Å; D2-H364 IonicContact OD1-CE1 3.91Å; D2-H364 IonicContact OD1-NE2 3.48Å
3M27.4Very low31.1Very low81 Ų8153.2 Ų53.240%0.39927%0.274SS..Hα-helixtrans-64.5-35.3176.1-72.6-164.1-61.600112.2M1 Q7 T141 I171 M255M1-M3 PolarHBondContact O-N 2.96Å; M1-M3 VanDerWaalsContact O-N 3.14Å; M3-Q7 WeakPolarHBondContact O-CB 3.46Å; M3-Q7 WeakPolarHBondContact O-CG 3.14Å; M3-Q7 PolarHBondContact O-N 2.78Å; M3-T141 HydrophobicContact SD-CG2 3.74Å; M3-I171 HydrophobicContact SD-CG2 4.39Å; M3-M255 HydrophobicContact CE-SD 4.33Å
4L30.1Very low32Very low23 Ų2350.4 Ų50.412%0.1226%0.259CS..Hα-helixtrans-76.7-34.4176.4-67.1165.2000111.1M1 D2 Q7 T8 F137 L251 W253M1-L4 CarbonylContact O-C 3.57Å; M1-L4 WeakPolarHBondContact O-CA 3.37Å; M1-L4 WeakPolarHBondContact O-CB 3.48Å; M1-L4 PolarHBondContact O-N 2.86Å; D2-L4 VanDerWaalsContact C-N 3.3Å; D2-L4 PolarHBondContact O-N 2.67Å; L4-Q7 PolarHBondContact O-N 2.78Å; L4-T8 WeakPolarHBondContact O-CB 3.13Å; L4-T8 VanDerWaalsContact O-CG2 3.25Å; L4-T8 WeakPolarHBondContact O-CG2 3.44Å; L4-T8 PolarHBondContact O-N 3.03Å; L4-T8 PolarHBondContact O-OG1 3.33Å; L4-F137 HydrophobicContact CD2-CZ 3.74Å; L4-L251 HydrophobicContact CD2-CD2 4.11Å; L4-W253 HydrophobicContact CD1-CD2 3.87Å; L4-W253 HydrophobicContact CD1-CE3 3.7Å; L4-W253 HydrophobicContact CD1-CH2 3.67Å; L4-W253 HydrophobicContact CD1-CZ2 3.83Å; L4-W253 HydrophobicContact CD1-CZ3 3.6Å
5N28.9Very low33Very low77 Ų7747.3 Ų47.341%0.41224%0.242SC..Hα-helixtrans-64.1-41.4176.7-71.5-11.4000111.9M1 D2 T8 N9M1-N5 PolarHBondContact O-N 2.96Å; D2-N5 PolarHBondContact O-N 3.21Å; N5-T8 WeakPolarHBondContact CA-OG1 3.38Å; N5-T8 PolarHBondContact O-OG1 3.11Å; N5-N9 PolarHBondContact O-N 3.26Å
6K29.5Very low33.6Very low151 Ų15144.4 Ų44.466%0.65723%0.228SC*.Hα-helixtrans-70.6-36.7173.7-74.4-179-179.4170.80113D2D2-K6 PolarHBondContact O-N 3.29Å; D2-K6 VanDerWaalsContact O-N 3.13Å
7Q34.6Very low34Very low0 Ų042.1 Ų42.10%022%0.216CC..Hα-helixtrans-71.8-35.4176.8-82.3-159.8-49.300114M3 L4 D10 S11 G12 F137 K138 N139 G140 Y178M3-Q7 WeakPolarHBondContact O-CB 3.46Å; M3-Q7 WeakPolarHBondContact O-CG 3.14Å; M3-Q7 PolarHBondContact O-N 2.78Å; L4-Q7 PolarHBondContact O-N 2.78Å; Q7-D10 PolarHBondContact O-N 3.22Å; Q7-S11 PolarHBondContact O-N 2.52Å; Q7-S11 PolarHBondContact O-OG 3.2Å; Q7-G12 PolarHBondContact O-N 3.03Å; Q7-F137 VanDerWaalsContact OE1-CE1 3.31Å; Q7-K138 PolarHBondContact NE2-O 3.17Å; Q7-N139 PolarHBondContact NE2-O 2.92Å; Q7-G140 VanDerWaalsContact CD-O 3.22Å; Q7-G140 VanDerWaalsContact NE2-C 3.25Å; Q7-G140 PolarHBondContact NE2-O 3.16Å; Q7-Y178 PolarHBondContact OE1-OH 2.87Å
8T33.3Very low34.3Very low50 Ų5040.5 Ų40.531%0.30721%0.207SC..Hα-helixtrans-65.2-44.1178.943.10000110.9L4 N5 D10 S11 G12L4-T8 WeakPolarHBondContact O-CB 3.13Å; L4-T8 VanDerWaalsContact O-CG2 3.25Å; L4-T8 WeakPolarHBondContact O-CG2 3.44Å; L4-T8 PolarHBondContact O-N 3.03Å; L4-T8 PolarHBondContact O-OG1 3.33Å; N5-T8 WeakPolarHBondContact CA-OG1 3.38Å; N5-T8 PolarHBondContact O-OG1 3.11Å; T8-D10 VanDerWaalsContact C-N 3.29Å; T8-D10 PolarHBondContact O-N 3.38Å; T8-S11 PolarHBondContact O-N 3.28Å; T8-G12 PolarHBondContact O-N 3.42Å
9N29.6Very low34.5Very low70 Ų7046.4 Ų46.437%0.37423%0.226SC..Hα-helixtrans-60.8-32.8175.8-79.2-14.3000114N5 R30N5-N9 PolarHBondContact O-N 3.26Å; N9-R30 WeakPolarHBondContact O-CG 3.38Å; N9-R30 PolarHBondContact O-NE 2.95Å
10D30.4Very low34.5Very low78 Ų7848.2 Ų48.242%0.41724%0.237SC..Hα-helixtrans-91.4-19.3-179.5-85.7-20.4000114.4Q7 T8 R30Q7-D10 PolarHBondContact O-N 3.22Å; T8-D10 VanDerWaalsContact C-N 3.29Å; T8-D10 PolarHBondContact O-N 3.38Å; D10-R30 PolarHBondContact O-NH2 3.1Å
11S33.8Very low34.5Very low11 Ų1152.4 Ų52.48%0.07726%0.26CS..Hα-helixtrans-174-9.6-161.542.30000119.5Q7 T8 L13 K138Q7-S11 PolarHBondContact O-N 2.52Å; Q7-S11 PolarHBondContact O-OG 3.2Å; T8-S11 PolarHBondContact O-N 3.28Å; S11-L13 PolarHBondContact O-N 2.74Å; S11-K138 VanDerWaalsContact CB-CD 3.45Å; S11-K138 WeakPolarHBondContact OG-CD 3.34Å; S11-K138 WeakPolarHBondContact OG-CE 3.34Å; S11-K138 WeakPolarHBondContact OG-CG 3.43Å
12G33.4Very low35.1Very low5 Ų555.6 Ų55.65%0.05228%0.279CS..  trans-85.699.3177.100000109.5Q7 T8Q7-G12 PolarHBondContact O-N 3.03Å; T8-G12 PolarHBondContact O-N 3.42Å
13L43.5Very low35.6Very low1 Ų156.7 Ų56.71%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-129.6128.7-168.9-68.1156.8000110.7S11 W15 C28 W63 T136S11-L13 PolarHBondContact O-N 2.74Å; L13-W15 HydrophobicContact CB-CH2 4.29Å; L13-W15 HydrophobicContact CB-CZ2 3.24Å; L13-W15 HydrophobicContact CD1-CH2 4.07Å; L13-W15 HydrophobicContact CD1-CZ2 3.46Å; L13-W15 VanDerWaalsContact CD1-CZ2 3.46Å; L13-W15 HydrophobicContact CD2-CH2 4.49Å; L13-W15 HydrophobicContact CD2-CZ2 4.15Å; L13-W15 HydrophobicContact CG-CH2 4.49Å; L13-W15 HydrophobicContact CG-CZ2 3.74Å; L13-W15 PolarHBondContact O-NE1 3.14Å; L13-C28 HydrophobicContact CD2-CB 4.4Å; L13-C28 WeakPolarHBondContact CD2-SG 3.27Å; L13-W63 HydrophobicContact CD1-CE3 4.36Å; L13-W63 HydrophobicContact CD1-CZ3 4.02Å; L13-T136 PolarHBondContact N-O 2.58Å; L13-T136 PolarHBondContact O-N 3.29Å; L13-T136 PolarHBondContact O-OG1 2.72Å
14F43.5Very low36.3Very low15 Ų1554.8 Ų54.87%0.06627%0.274CS..EExtended strand (participates in β ladder)trans-91.3128.9164.5-70.5-85.9000109.1I27 F117 W119 T134 F135F14-I27 CarbonylContact O-C 3.58Å; F14-F117 HydrophobicContact CE1-CB 4.06Å; F14-F117 HydrophobicContact CE1-CD1 4.3Å; F14-F117 HydrophobicContact CE1-CG 4.07Å; F14-F117 AromaticContact CE2-CD1 3.58Å; F14-F117 HydrophobicContact CE2-CD1 3.58Å; F14-F117 AromaticContact CE2-CE1 3.67Å; F14-F117 HydrophobicContact CE2-CE1 3.67Å; F14-F117 HydrophobicContact CE2-CG 4.13Å; F14-F117 HydrophobicContact CE2-CZ 4.28Å; F14-F117 HydrophobicContact CZ-CB 3.84Å; F14-F117 AromaticContact CZ-CD1 3.29Å; F14-F117 HydrophobicContact CZ-CD1 3.29Å; F14-F117 AromaticContact CZ-CD2 3.77Å; F14-F117 HydrophobicContact CZ-CD2 3.77Å; F14-F117 AromaticContact CZ-CE1 3.69Å; F14-F117 HydrophobicContact CZ-CE1 3.69Å; F14-F117 HydrophobicContact CZ-CE2 4.12Å; F14-F117 AromaticContact CZ-CG 3.35Å; F14-F117 HydrophobicContact CZ-CG 3.35Å; F14-F117 HydrophobicContact CZ-CZ 4.08Å; F14-W119 HydrophobicContact CB-CH2 4.34Å; F14-W119 HydrophobicContact CB-CZ2 3.59Å; F14-W119 AromaticContact CD1-CE2 3.91Å; F14-W119 AromaticContact CD1-CZ2 3.91Å; F14-W119 HydrophobicContact CD1-CZ2 3.91Å; F14-W119 AromaticContact CD1-NE1 3.4Å; F14-W119 HydrophobicContact CD2-CZ2 4.29Å; F14-W119 AromaticContact CE1-NE1 3.59Å; F14-W119 AromaticContact CG-CZ2 3.68Å; F14-W119 HydrophobicContact CG-CZ2 3.68Å; F14-T134 CarbonylContact C-O 2.81Å; F14-T134 WeakPolarHBondContact CA-O 3.35Å; F14-F135 HydrophobicContact CD1-CB 3.98Å; F14-F135 AromaticContact CD1-CD2 3.91Å; F14-F135 HydrophobicContact CD1-CD2 3.91Å; F14-F135 AromaticContact CD1-CG 3.9Å; F14-F135 HydrophobicContact CD1-CG 3.9Å; F14-F135 HydrophobicContact CD2-CD2 4.42Å; F14-F135 HydrophobicContact CD2-CE2 4.43Å; F14-F135 HydrophobicContact CE1-CB 3.79Å; F14-F135 AromaticContact CE1-CD1 3.55Å; F14-F135 HydrophobicContact CE1-CD1 3.55Å; F14-F135 AromaticContact CE1-CD2 3.54Å; F14-F135 HydrophobicContact CE1-CD2 3.54Å; F14-F135 AromaticContact CE1-CE1 3.91Å; F14-F135 HydrophobicContact CE1-CE1 3.91Å; F14-F135 AromaticContact CE1-CE2 3.93Å; F14-F135 HydrophobicContact CE1-CE2 3.93Å; F14-F135 AromaticContact CE1-CG 3.34Å; F14-F135 HydrophobicContact CE1-CG 3.34Å; F14-F135 HydrophobicContact CE1-CZ 4.09Å; F14-F135 HydrophobicContact CE2-CD2 4.08Å; F14-F135 AromaticContact CE2-CE2 3.77Å; F14-F135 HydrophobicContact CE2-CE2 3.77Å; F14-F135 HydrophobicContact CE2-CZ 4.06Å; F14-F135 HydrophobicContact CG-CD2 4.33Å; F14-F135 AromaticContact CZ-CD1 3.78Å; F14-F135 HydrophobicContact CZ-CD1 3.78Å; F14-F135 AromaticContact CZ-CD2 3.6Å; F14-F135 HydrophobicContact CZ-CD2 3.6Å; F14-F135 AromaticContact CZ-CE1 3.62Å; F14-F135 HydrophobicContact CZ-CE1 3.62Å; F14-F135 AromaticContact CZ-CE2 3.47Å; F14-F135 HydrophobicContact CZ-CE2 3.47Å; F14-F135 VanDerWaalsContact CZ-CE2 3.47Å; F14-F135 AromaticContact CZ-CG 3.77Å; F14-F135 HydrophobicContact CZ-CG 3.77Å; F14-F135 AromaticContact CZ-CZ 3.46Å; F14-F135 HydrophobicContact CZ-CZ 3.46Å; F14-F135 VanDerWaalsContact CZ-CZ 3.46Å
15W47.7Very low36.8Very low4 Ų453.7 Ų53.72%0.01527%0.269CS..EExtended strand (participates in β ladder)trans-112.7116.5176.6-49.785.7000108.7L13 T26 C28 W63 I133 T134 T136 W206L13-W15 HydrophobicContact CB-CH2 4.29Å; L13-W15 HydrophobicContact CB-CZ2 3.24Å; L13-W15 HydrophobicContact CD1-CH2 4.07Å; L13-W15 HydrophobicContact CD1-CZ2 3.46Å; L13-W15 VanDerWaalsContact CD1-CZ2 3.46Å; L13-W15 HydrophobicContact CD2-CH2 4.49Å; L13-W15 HydrophobicContact CD2-CZ2 4.15Å; L13-W15 HydrophobicContact CG-CH2 4.49Å; L13-W15 HydrophobicContact CG-CZ2 3.74Å; L13-W15 PolarHBondContact O-NE1 3.14Å; W15-T26 HydrophobicContact CE3-CG2 3.34Å; W15-T26 HydrophobicContact CZ3-CG2 3.35Å; W15-C28 HydrophobicContact CH2-CB 4.18Å; W15-C28 HydrophobicContact CZ3-CB 4.34Å; W15-W63 HydrophobicContact CD2-CE3 4.39Å; W15-W63 HydrophobicContact CD2-CZ3 4.45Å; W15-W63 AromaticContact CE2-CE3 3.54Å; W15-W63 AromaticContact CE2-CH2 3.98Å; W15-W63 AromaticContact CE2-CZ3 3.34Å; W15-W63 HydrophobicContact CE3-CE3 4.49Å; W15-W63 HydrophobicContact CH2-CB 3.99Å; W15-W63 AromaticContact CH2-CD2 3.82Å; W15-W63 HydrophobicContact CH2-CD2 3.82Å; W15-W63 AromaticContact CH2-CE3 3.1Å; W15-W63 HydrophobicContact CH2-CE3 3.1Å; W15-W63 HydrophobicContact CH2-CG 4.25Å; W15-W63 AromaticContact CH2-CZ3 3.74Å; W15-W63 HydrophobicContact CH2-CZ3 3.74Å; W15-W63 AromaticContact CZ2-CD2 3.83Å; W15-W63 HydrophobicContact CZ2-CD2 3.83Å; W15-W63 AromaticContact CZ2-CE3 2.86Å; W15-W63 HydrophobicContact CZ2-CE3 2.86Å; W15-W63 HydrophobicContact CZ2-CH2 4Å; W15-W63 AromaticContact CZ2-CZ3 2.94Å; W15-W63 HydrophobicContact CZ2-CZ3 2.94Å; W15-W63 HydrophobicContact CZ3-CB 3.91Å; W15-W63 HydrophobicContact CZ3-CD2 4.22Å; W15-W63 AromaticContact CZ3-CE3 3.92Å; W15-W63 HydrophobicContact CZ3-CE3 3.92Å; W15-W63 HydrophobicContact CZ3-CG 4.31Å; W15-W63 AromaticContact NE1-CH2 3.83Å; W15-W63 AromaticContact NE1-CZ3 3.59Å; W15-I133 CarbonylContact O-C 3.43Å; W15-I133 WeakPolarHBondContact O-CA 3.48Å; W15-T134 PolarHBondContact N-O 3.25Å; W15-T134 PolarHBondContact O-N 2.83Å; W15-T136 PolarHBondContact NE1-OG1 3.49Å; W15-W206 AromaticContact CD2-CZ3 3.96Å; W15-W206 HydrophobicContact CD2-CZ3 3.96Å; W15-W206 HydrophobicContact CE3-CE3 4.45Å; W15-W206 AromaticContact CE3-CH2 3.7Å; W15-W206 HydrophobicContact CE3-CH2 3.7Å; W15-W206 AromaticContact CE3-CZ3 3.38Å; W15-W206 HydrophobicContact CE3-CZ3 3.38Å; W15-W206 HydrophobicContact CG-CZ3 4.43Å; W15-W206 HydrophobicContact CZ3-CH2 4.23Å; W15-W206 HydrophobicContact CZ3-CZ3 4.06Å
16V41.9Very low37.6Very low1 Ų150.1 Ų50.11%0.00625%0.25CC..EExtended strand (participates in β ladder)trans-87.8134.9159.9178.40000107.1V25 I27 L94 W119 V131 S132 I133V16-V25 CarbonylContact O-C 3.43Å; V16-I27 HydrophobicContact CB-CD1 4.32Å; V16-I27 HydrophobicContact CB-CG1 3.77Å; V16-I27 HydrophobicContact CG2-CD1 3.68Å; V16-I27 HydrophobicContact CG2-CG1 3.5Å; V16-L94 HydrophobicContact CB-CD1 3.98Å; V16-L94 HydrophobicContact CG1-CD1 3.78Å; V16-L94 HydrophobicContact CG2-CD1 3.35Å; V16-W119 HydrophobicContact CG2-CE3 4.49Å; V16-W119 HydrophobicContact CG2-CH2 4.45Å; V16-W119 HydrophobicContact CG2-CZ3 4.06Å; V16-V131 HydrophobicContact CG1-CG1 4.05Å; V16-S132 CarbonylContact C-O 3.5Å; V16-S132 WeakPolarHBondContact CA-O 3.33Å; V16-I133 HydrophobicContact CB-CD1 3.88Å; V16-I133 HydrophobicContact CG1-CD1 3.84Å; V16-I133 HydrophobicContact CG2-CD1 3.15Å
17I39.9Very low38.1Very low5 Ų543 Ų433%0.02622%0.219CC..EExtended strand (participates in β ladder)trans-129.9128.3171.7-65.7171.1000108.5F24 S132 W206 L209I17-F24 HydrophobicContact CG2-CD1 4.11Å; I17-F24 HydrophobicContact CG2-CE1 4.48Å; I17-S132 PolarHBondContact N-O 3.44Å; I17-S132 PolarHBondContact O-N 3.25Å; I17-W206 HydrophobicContact CD1-CE3 4.41Å; I17-W206 HydrophobicContact CD1-CH2 3.91Å; I17-W206 HydrophobicContact CD1-CZ3 3.75Å; I17-W206 HydrophobicContact CG1-CH2 4.27Å; I17-L209 HydrophobicContact CD1-CB 3.19Å; I17-L209 HydrophobicContact CD1-CD1 3.55Å; I17-L209 HydrophobicContact CD1-CD2 4.37Å; I17-L209 HydrophobicContact CD1-CG 3.87Å
18W41.1Very low38.2Very low13 Ų1345.3 Ų45.35%0.04923%0.234CC..EExtended strand (participates in β ladder)trans-108.5154.7-178.6-17664.4000111.4D20 D23 R129W18-D20 HydrophobicContact CH2-CB 3.81Å; W18-D20 WeakPolarHBondContact CH2-O 3.5Å; W18-D20 HydrophobicContact CZ2-CB 3.82Å; W18-D20 WeakPolarHBondContact CZ3-O 3.45Å; W18-D23 HydrophobicContact CE3-CB 4.42Å; W18-D23 VanDerWaalsContact CE3-O 3.3Å; W18-D23 HydrophobicContact CZ3-CB 4.14Å; W18-R129 VanDerWaalsContact CE2-CD 3.43Å; W18-R129 VanDerWaalsContact CZ2-CZ 3.45Å; W18-R129 VanDerWaalsContact CZ2-NE 3.32Å
19R37.7Very low38.2Very low153 Ų15345.6 Ų45.658%0.57724%0.236SC*.EExtended strand (participates in β ladder)trans-142.8112.5169.1-174.8178.1178.3167.55.4112.8E211R19-E211 PolarHBondContact NH1-O 2.91Å
20D34.5Very low38.3Very low82 Ų8246.7 Ų46.744%0.43924%0.235SC..SBend-160.2151.7123.1-145-5.7000110.3W18W18-D20 HydrophobicContact CH2-CB 3.81Å; W18-D20 WeakPolarHBondContact CH2-O 3.5Å; W18-D20 HydrophobicContact CZ2-CB 3.82Å; W18-D20 WeakPolarHBondContact CZ3-O 3.45Å
21N33.9Very low38.2Very low136 Ų13648.7 Ų48.773%0.72725%0.246SC*.THydrogen-bonded Turntrans63.431.7-177.8-70.6-16000119.5D23N21-D23 PolarHBondContact O-N 2.92Å
22N37.7Very low37.9Very low147 Ų14757.3 Ų57.379%0.78628%0.282SS*.THydrogen-bonded Turntrans66.85.1175.3-71.6-20.5000117.1F24N22-F24 VanDerWaalsContact O-CD2 3.31Å; N22-F24 WeakPolarHBondContact O-CD2 3.4Å; N22-F24 WeakPolarHBondContact O-CE2 3.46Å
23D36.1Very low37.5Very low88 Ų8863 Ų6347%0.47132%0.315SS..  trans-88.3127.7174.8-69.1-35.2000110.9W18 N21 Y90W18-D23 HydrophobicContact CE3-CB 4.42Å; W18-D23 VanDerWaalsContact CE3-O 3.3Å; W18-D23 HydrophobicContact CZ3-CB 4.14Å; N21-D23 PolarHBondContact O-N 2.92Å; D23-Y90 HydrophobicContact CB-CD1 4.16Å; D23-Y90 HydrophobicContact CB-CE1 4.15Å
24F41.5Very low36.8Very low40 Ų4068 Ų6818%0.17535%0.351CS..  trans-116.8132.8177.9-64.3-84.5000108.2I17 N22 N66 K210I17-F24 HydrophobicContact CG2-CD1 4.11Å; I17-F24 HydrophobicContact CG2-CE1 4.48Å; N22-F24 VanDerWaalsContact O-CD2 3.31Å; N22-F24 WeakPolarHBondContact O-CD2 3.4Å; N22-F24 WeakPolarHBondContact O-CE2 3.46Å; F24-N66 PolarHBondContact O-ND2 3.27Å; F24-K210 HydrophobicContact CD1-CG 4.04Å; F24-K210 HydrophobicContact CD2-CG 4.33Å; F24-K210 HydrophobicContact CE1-CB 4.19Å; F24-K210 HydrophobicContact CE1-CG 3.46Å; F24-K210 VanDerWaalsContact CE1-CG 3.46Å; F24-K210 VanDerWaalsContact CE1-O 3.28Å; F24-K210 WeakPolarHBondContact CE1-O 3.42Å; F24-K210 HydrophobicContact CE2-CD 4.3Å; F24-K210 HydrophobicContact CE2-CG 3.78Å; F24-K210 HydrophobicContact CG-CG 4.45Å; F24-K210 HydrophobicContact CZ-CB 4.41Å; F24-K210 HydrophobicContact CZ-CD 4.27Å; F24-K210 HydrophobicContact CZ-CG 3.3Å; F24-K210 WeakPolarHBondContact CZ-O 3.31Å
25V39.9Very low36Very low1 Ų174.7 Ų74.71%0.00639%0.387CS..  trans-112.5149.6166.2-157.20000106.9V16 I67 L87 Y90V16-V25 CarbonylContact O-C 3.43Å; V25-I67 HydrophobicContact CG1-CD1 4.37Å; V25-I67 HydrophobicContact CG1-CG1 3.66Å; V25-L87 HydrophobicContact CB-CD1 4.21Å; V25-L87 HydrophobicContact CG1-CD1 3.81Å; V25-L87 HydrophobicContact CG1-CD2 3.79Å; V25-L87 HydrophobicContact CG1-CG 4.39Å; V25-Y90 HydrophobicContact CB-CD2 4.24Å; V25-Y90 HydrophobicContact CB-CE2 4.11Å; V25-Y90 HydrophobicContact CG1-CD2 4.19Å; V25-Y90 HydrophobicContact CG1-CE2 3.81Å; V25-Y90 HydrophobicContact CG2-CD1 3.81Å; V25-Y90 HydrophobicContact CG2-CD2 3.07Å; V25-Y90 HydrophobicContact CG2-CE1 4Å; V25-Y90 HydrophobicContact CG2-CE2 3.19Å; V25-Y90 HydrophobicContact CG2-CG 3.35Å
26T46.5Very low35.1Very low2 Ų280 Ų801%0.01242%0.422CS..  trans-148.4124.3-174.7-70.80000107.9W15 H64 S65 I67 W206W15-T26 HydrophobicContact CE3-CG2 3.34Å; W15-T26 HydrophobicContact CZ3-CG2 3.35Å; T26-H64 WeakPolarHBondContact CB-O 3.2Å; T26-H64 WeakPolarHBondContact CG2-O 3.39Å; T26-H64 PolarHBondContact OG1-O 2.87Å; T26-H64 VanDerWaalsContact OG1-O 3.12Å; T26-S65 WeakPolarHBondContact O-CA 3.1Å; T26-S65 WeakPolarHBondContact O-CB 3.29Å; T26-S65 PolarHBondContact O-OG 3.44Å; T26-I67 WeakPolarHBondContact O-CG1 3.2Å; T26-W206 HydrophobicContact CG2-CH2 3.54Å; T26-W206 HydrophobicContact CG2-CZ2 4.16Å; T26-W206 HydrophobicContact CG2-CZ3 4.43Å; T26-W206 WeakPolarHBondContact OG1-CH2 3.29Å; T26-W206 WeakPolarHBondContact OG1-CZ2 3.45Å
27I39.3Very low34.6Very low2 Ų287.7 Ų87.71%0.0146%0.463CS..  trans-89.1129.9174.6-36.9-128.8000106.5F14 V16 T29 I67 Y85 L94 W119F14-I27 CarbonylContact O-C 3.58Å; V16-I27 HydrophobicContact CB-CD1 4.32Å; V16-I27 HydrophobicContact CB-CG1 3.77Å; V16-I27 HydrophobicContact CG2-CD1 3.68Å; V16-I27 HydrophobicContact CG2-CG1 3.5Å; I27-T29 HydrophobicContact CG2-CG2 4.14Å; I27-I67 VanDerWaalsContact CA-CD1 3.49Å; I27-I67 HydrophobicContact CB-CD1 3.73Å; I27-I67 HydrophobicContact CD1-CD1 3.52Å; I27-I67 HydrophobicContact CG1-CD1 3.48Å; I27-I67 VanDerWaalsContact CG1-CD1 3.48Å; I27-I67 HydrophobicContact CG2-CD1 3.91Å; I27-Y85 HydrophobicContact CB-CE1 4.5Å; I27-Y85 HydrophobicContact CD1-CD1 3.45Å; I27-Y85 VanDerWaalsContact CD1-CD1 3.45Å; I27-Y85 HydrophobicContact CD1-CD2 3.52Å; I27-Y85 HydrophobicContact CD1-CE1 3.61Å; I27-Y85 HydrophobicContact CD1-CE2 3.69Å; I27-Y85 HydrophobicContact CD1-CG 3.38Å; I27-Y85 HydrophobicContact CG2-CD1 4.14Å; I27-Y85 HydrophobicContact CG2-CE1 3.33Å; I27-Y85 HydrophobicContact CG2-CE2 4.34Å; I27-Y85 VanDerWaalsContact CG2-CZ 3.44Å; I27-Y85 WeakPolarHBondContact CG2-OH 3.39Å; I27-L94 HydrophobicContact CD1-CD1 3.93Å; I27-W119 HydrophobicContact CD1-CH2 4.22Å; I27-W119 HydrophobicContact CD1-CZ3 4.21Å
28C36.4Very low34Very low47 Ų4790.9 Ų90.932%0.31850%0.497SS..  trans-129.1106.4168.6-177.70000105.3L13 W15 R30L13-C28 HydrophobicContact CD2-CB 4.4Å; L13-C28 WeakPolarHBondContact CD2-SG 3.27Å; W15-C28 HydrophobicContact CH2-CB 4.18Å; W15-C28 HydrophobicContact CZ3-CB 4.34Å; C28-R30 PolarHBondContact O-N 3.37Å
29T33.8Very low33.4Very low57 Ų5797.7 Ų97.735%0.3553%0.534SS..  trans-79.433.9178.352.50000111.9I27 D31 Y85I27-T29 HydrophobicContact CG2-CG2 4.14Å; T29-D31 PolarHBondContact O-N 3.42Å; T29-Y85 WeakPolarHBondContact CG2-OH 3.42Å
30R32.5Very low33.6Very low92 Ų9295.3 Ų95.335%0.34754%0.539SS..  trans-77.3116.7171.7-111.3-178.1-178.2160.56.4108.1N9 D10 C28 K32N9-R30 WeakPolarHBondContact O-CG 3.38Å; N9-R30 PolarHBondContact O-NE 2.95Å; D10-R30 PolarHBondContact O-NH2 3.1Å; C28-R30 PolarHBondContact O-N 3.37Å; R30-K32 PolarHBondContact O-N 2.84Å
31D28.1Very low33.4Very low121 Ų12199.1 Ų99.165%0.64756%0.559SS**  trans-57.6108.6161.2-91-24.3000108.2T29 T33T29-D31 PolarHBondContact O-N 3.42Å; D31-T33 PolarHBondContact O-N 3.45Å; D31-T33 VanDerWaalsContact O-N 3.1Å
32K27.3Very low33.6Very low191 Ų19196.3 Ų96.383%0.8356%0.563SS**  trans-71.595.7150.6-77.8-178.5-176.4165.20104.5R30 S34R30-K32 PolarHBondContact O-N 2.84Å; K32-S34 PolarHBondContact O-N 3.42Å
33T25.6Very low33.1Very low124 Ų12498 Ų9876%0.76157%0.566SS**  trans-48.5108.9165.647.80000107.9D31 D35D31-T33 PolarHBondContact O-N 3.45Å; D31-T33 VanDerWaalsContact O-N 3.1Å; T33-D35 PolarHBondContact O-N 3.31Å
34S28Very low33.2Very low107 Ų107106 Ų10675%0.74859%0.59SS**  trans-64.9119.1162.448.50000106.9K32K32-S34 PolarHBondContact O-N 3.42Å
35D26.8Very low32.3Very low155 Ų155110.2 Ų110.283%0.82962%0.619SS**  trans-54.9131.6166.7-104-34.8000108.8T33 D37T33-D35 PolarHBondContact O-N 3.31Å; D35-D37 PolarHBondContact O-N 2.98Å
36P29.8Very low32Very low115 Ų115120.1 Ų120.175%0.74766%0.662SS**  trans-85.293.3-178.333.5-29.8000109.1
37D30.2Very low30.8Very low164 Ų164125.4 Ų125.488%0.87770%0.697SS**  trans-124.2108.1155.2-89.4-30.5000108.6D35D35-D37 PolarHBondContact O-N 2.98Å
38G28.3Very low30.3Very low71 Ų71134.3 Ų134.373%0.73274%0.739SS**  trans-81.9133.2167.500000109.9
39D27Very low29.7Very low156 Ų156139.1 Ų139.183%0.83476%0.761SS**  trans-128.1130.3157.2-158.117.8000108
40P43.3Very low29.2Very low104 Ų104141.6 Ų141.668%0.67578%0.778SS**  trans-94.298.3178.933-19.9000108.7
41D30.3Very low29.2Very low161 Ų161145.5 Ų145.586%0.86181%0.805SS**  trans171.5144.1136.6-91.4-26.1000110.6E43D41-E43 PolarHBondContact O-N 3.46Å
42G36.8Very low29.1Very low78 Ų78145.6 Ų145.680%0.80481%0.814SS**  trans-69119-176.400000112.5
43E27.6Very low29.4Very low183 Ų183141.9 Ų141.986%0.85581%0.812SS**  trans-165.3142138.3-111.6177.6-172.200110.7D41 T45D41-E43 PolarHBondContact O-N 3.46Å; E43-T45 PolarHBondContact O-N 3.13Å; E43-T45 VanDerWaalsContact O-N 3.08Å; E43-T45 PolarHBondContact O-OG1 3.1Å
44R38.3Very low29.7Very low256 Ų256141.4 Ų141.497%0.96681%0.814SS**  trans-55.1112.1179.2-75.9173.5171.7174.8-2.4110.7
45T23.3Very low30.1Very low127 Ų127147.9 Ų147.978%0.77982%0.822SS**  trans-137.8115.4165.5-20.40000111.6E43 C47E43-T45 PolarHBondContact O-N 3.13Å; E43-T45 VanDerWaalsContact O-N 3.08Å; E43-T45 PolarHBondContact O-OG1 3.1Å; T45-C47 PolarHBondContact O-N 3.28Å
46K32.3Very low30.9Very low210 Ų210144.6 Ų144.691%0.91382%0.816SS**  trans-60.6111.2166.6-79.1176172.7177.10108.3
47C21.9Very low31.9Very low112 Ų112148.6 Ų148.676%0.75782%0.822SS**  trans-103103169.1-1530000109.2T45T45-C47 PolarHBondContact O-N 3.28Å
48Q29.5Very low33.9Very low189 Ų189147.6 Ų147.688%0.88381%0.812SS**  trans-85.1125.9163.5-82.3-177-19.700108
49L23.9Very low36.4Very low148 Ų148147 Ų14778%0.77580%0.795SS**  trans-123.5158171.2-84.5176.6000110.5
50P23.6Very low39.1Very low110 Ų110140.1 Ų140.171%0.71476%0.759SS**  trans-87.9154.9-130.69.14.9000114.8C52P50-C52 PolarHBondContact O-N 3.07Å
51N32Very low41Very low173 Ų173138.5 Ų138.593%0.92575%0.75SS**  trans-53.8107166.9-94.2-25.2000111.5
52C25.8Very low43.6Very low124 Ų124131.2 Ų131.284%0.83871%0.712SS**  trans-105.8125.7156.1-84.60000109.7P50P50-C52 PolarHBondContact O-N 3.07Å
53S32.6Very low45.7Very low112 Ų112128.9 Ų128.978%0.78368%0.679SS**SBendtrans-61.8147.8-172.847.20000115.1
54S32Very low47.9Very low115 Ų115125.8 Ų125.880%0.80466%0.664SS**  trans64.885.4175.367.50000116.2A56S54-A56 PolarHBondContact O-N 2.81Å; S54-A56 VanDerWaalsContact O-N 3.1Å
55R37.9Very low49.5Very low243 Ų243116.5 Ų116.592%0.91764%0.638SS**  trans-57.9114.6161.5-79.2-178.9177.6176.2-1.3108.5K57R55-K57 PolarHBondContact O-N 3.48Å
56A42Very low51.9Low85 Ų85114.3 Ų114.370%0.70262%0.622SS**  trans-52.2139.5162.500000108.5S54 Q58S54-A56 PolarHBondContact O-N 2.81Å; S54-A56 VanDerWaalsContact O-N 3.1Å; A56-Q58 PolarHBondContact O-N 3.3Å
57K52.1Low53.8Low200 Ų200105.6 Ų105.687%0.8759%0.585SS**  trans-57.1114.5175.9-72.7-178.5179.4179.20108.1R55R55-K57 PolarHBondContact O-N 3.48Å
58Q71.8Confident56.4Low142 Ų142105.6 Ų105.666%0.66457%0.574SS**  trans-68128.5177-71.2-173.8-24.400108.9A56 S61A56-Q58 PolarHBondContact O-N 3.3Å; Q58-S61 WeakPolarHBondContact O-CB 3.22Å
59P80.5Confident58.8Low59 Ų59103 Ų10338%0.38357%0.566SS.*THydrogen-bonded Turntrans-54.9145.6169.3-24.534.2000110.7S61 P198 G200P59-S61 VanDerWaalsContact C-N 3.27Å; P59-S61 PolarHBondContact O-N 3.15Å; P59-P198 WeakPolarHBondContact CB-O 3.32Å; P59-G200 CarbonylContact C-O 3.52Å; P59-G200 WeakPolarHBondContact CA-O 3.25Å
60L83.6Confident61.8Low12 Ų12102.2 Ų102.26%0.06357%0.567CS.*THydrogen-bonded Turntrans61.933.5176.1-51.4164.3000112.8A62 W63 F196 G200 N201L60-A62 PolarHBondContact O-N 2.97Å; L60-A62 VanDerWaalsContact O-N 3.11Å; L60-W63 HydrophobicContact CB-CD2 3.8Å; L60-W63 HydrophobicContact CB-CE3 3.73Å; L60-W63 HydrophobicContact CB-CG 4.15Å; L60-W63 HydrophobicContact CB-CZ3 4.35Å; L60-W63 HydrophobicContact CD1-CE3 3.75Å; L60-W63 HydrophobicContact CD1-CH2 4.05Å; L60-W63 HydrophobicContact CD1-CZ3 3.53Å; L60-W63 HydrophobicContact CD2-CD2 4.25Å; L60-W63 HydrophobicContact CD2-CE3 4.26Å; L60-W63 HydrophobicContact CD2-CH2 3.97Å; L60-W63 HydrophobicContact CD2-CZ2 3.79Å; L60-W63 HydrophobicContact CD2-CZ3 4.16Å; L60-W63 HydrophobicContact CG-CD2 4.39Å; L60-W63 HydrophobicContact CG-CE3 4.1Å; L60-W63 HydrophobicContact CG-CH2 4.5Å; L60-W63 HydrophobicContact CG-CZ3 4.2Å; L60-W63 WeakPolarHBondContact O-CB 3.35Å; L60-W63 PolarHBondContact O-N 2.92Å; L60-F196 HydrophobicContact CD2-CD2 4.46Å; L60-F196 HydrophobicContact CD2-CE2 3.94Å; L60-G200 PolarHBondContact N-O 2.82Å; L60-N201 CarbonylContact C-O 3.54Å; L60-N201 VanDerWaalsContact CA-O 3.25Å; L60-N201 WeakPolarHBondContact CA-O 3.38Å
61S83.4Confident64.8Low70 Ų70100.2 Ų100.249%0.4955%0.546SS..THydrogen-bonded Turntrans-64.6-13.1-175.363.20000115.7Q58 P59 W63 N201Q58-S61 WeakPolarHBondContact O-CB 3.22Å; P59-S61 VanDerWaalsContact C-N 3.27Å; P59-S61 PolarHBondContact O-N 3.15Å; S61-W63 VanDerWaalsContact C-N 3.31Å; S61-N201 PolarHBondContact N-O 3.27Å
62A85.1Confident67.4Low7 Ų794.1 Ų94.16%0.05852%0.516CS..THydrogen-bonded Turntrans-76.9-18.617200000113L60 H64 N201 E203 W206L60-A62 PolarHBondContact O-N 2.97Å; L60-A62 VanDerWaalsContact O-N 3.11Å; A62-H64 PolarHBondContact O-CD2 3.31Å; A62-H64 PolarHBondContact O-NE2 3.44Å; A62-N201 WeakPolarHBondContact CB-O 3.33Å; A62-N201 PolarHBondContact N-O 3.11Å; A62-E203 HydrophobicContact CB-CB 4.04Å; A62-E203 WeakPolarHBondContact CB-OE2 3.34Å; A62-W206 PolarHBondContact O-NE1 3.06Å
63W81.5Confident70.4Confident29 Ų2990.3 Ų90.311%0.1149%0.491CS..  trans-79127-176.6-61.72.7000109.1L13 W15 L60 S61 T136 F196 G202 L205 W206L13-W63 HydrophobicContact CD1-CE3 4.36Å; L13-W63 HydrophobicContact CD1-CZ3 4.02Å; W15-W63 HydrophobicContact CD2-CE3 4.39Å; W15-W63 HydrophobicContact CD2-CZ3 4.45Å; W15-W63 AromaticContact CE2-CE3 3.54Å; W15-W63 AromaticContact CE2-CH2 3.98Å; W15-W63 AromaticContact CE2-CZ3 3.34Å; W15-W63 HydrophobicContact CE3-CE3 4.49Å; W15-W63 HydrophobicContact CH2-CB 3.99Å; W15-W63 AromaticContact CH2-CD2 3.82Å; W15-W63 HydrophobicContact CH2-CD2 3.82Å; W15-W63 AromaticContact CH2-CE3 3.1Å; W15-W63 HydrophobicContact CH2-CE3 3.1Å; W15-W63 HydrophobicContact CH2-CG 4.25Å; W15-W63 AromaticContact CH2-CZ3 3.74Å; W15-W63 HydrophobicContact CH2-CZ3 3.74Å; W15-W63 AromaticContact CZ2-CD2 3.83Å; W15-W63 HydrophobicContact CZ2-CD2 3.83Å; W15-W63 AromaticContact CZ2-CE3 2.86Å; W15-W63 HydrophobicContact CZ2-CE3 2.86Å; W15-W63 HydrophobicContact CZ2-CH2 4Å; W15-W63 AromaticContact CZ2-CZ3 2.94Å; W15-W63 HydrophobicContact CZ2-CZ3 2.94Å; W15-W63 HydrophobicContact CZ3-CB 3.91Å; W15-W63 HydrophobicContact CZ3-CD2 4.22Å; W15-W63 AromaticContact CZ3-CE3 3.92Å; W15-W63 HydrophobicContact CZ3-CE3 3.92Å; W15-W63 HydrophobicContact CZ3-CG 4.31Å; W15-W63 AromaticContact NE1-CH2 3.83Å; W15-W63 AromaticContact NE1-CZ3 3.59Å; L60-W63 HydrophobicContact CB-CD2 3.8Å; L60-W63 HydrophobicContact CB-CE3 3.73Å; L60-W63 HydrophobicContact CB-CG 4.15Å; L60-W63 HydrophobicContact CB-CZ3 4.35Å; L60-W63 HydrophobicContact CD1-CE3 3.75Å; L60-W63 HydrophobicContact CD1-CH2 4.05Å; L60-W63 HydrophobicContact CD1-CZ3 3.53Å; L60-W63 HydrophobicContact CD2-CD2 4.25Å; L60-W63 HydrophobicContact CD2-CE3 4.26Å; L60-W63 HydrophobicContact CD2-CH2 3.97Å; L60-W63 HydrophobicContact CD2-CZ2 3.79Å; L60-W63 HydrophobicContact CD2-CZ3 4.16Å; L60-W63 HydrophobicContact CG-CD2 4.39Å; L60-W63 HydrophobicContact CG-CE3 4.1Å; L60-W63 HydrophobicContact CG-CH2 4.5Å; L60-W63 HydrophobicContact CG-CZ3 4.2Å; L60-W63 WeakPolarHBondContact O-CB 3.35Å; L60-W63 PolarHBondContact O-N 2.92Å; S61-W63 VanDerWaalsContact C-N 3.31Å; W63-T136 HydrophobicContact CH2-CG2 4.19Å; W63-F196 AromaticContact CH2-CE2 3.94Å; W63-F196 HydrophobicContact CH2-CE2 3.94Å; W63-F196 AromaticContact CH2-CZ 3.9Å; W63-F196 HydrophobicContact CH2-CZ 3.9Å; W63-F196 HydrophobicContact CZ2-CE2 4.09Å; W63-F196 HydrophobicContact CZ2-CZ 4.36Å; W63-G202 PolarHBondContact NE1-O 2.94Å; W63-L205 HydrophobicContact CH2-CD2 4.24Å; W63-L205 HydrophobicContact CZ2-CD2 3.64Å; W63-W206 HydrophobicContact CB-CE3 4.44Å; W63-W206 AromaticContact CD1-CD2 3.71Å; W63-W206 AromaticContact CD1-CE3 3.61Å; W63-W206 AromaticContact CD1-CG 3.75Å; W63-W206 HydrophobicContact CD2-CE3 4.44Å; W63-W206 HydrophobicContact CG-CD2 4.27Å; W63-W206 AromaticContact CG-CE3 3.95Å; W63-W206 HydrophobicContact CG-CE3 3.95Å; W63-W206 HydrophobicContact CG-CZ3 4.45Å; W63-W206 AromaticContact NE1-CE3 3.91Å
64H72.7Confident73Confident119 Ų11991.2 Ų91.255%0.55148%0.478SS*.  trans-124129.2-174.4-64.2-52.8000110T26 A62T26-H64 WeakPolarHBondContact CB-O 3.2Å; T26-H64 WeakPolarHBondContact CG2-O 3.39Å; T26-H64 PolarHBondContact OG1-O 2.87Å; T26-H64 VanDerWaalsContact OG1-O 3.12Å; A62-H64 PolarHBondContact O-CD2 3.31Å; A62-H64 PolarHBondContact O-NE2 3.44Å
65S71.6Confident76Confident60 Ų6089.2 Ų89.242%0.4246%0.461SS..  trans-102.4133.2173.9-178.40000111.4T26 I67T26-S65 WeakPolarHBondContact O-CA 3.1Å; T26-S65 WeakPolarHBondContact O-CB 3.29Å; T26-S65 PolarHBondContact O-OG 3.44Å; S65-I67 PolarHBondContact OG-N 3.19Å
66N73.3Confident78.6Confident81 Ų8178.4 Ų78.443%0.43343%0.425SS..  trans-114.325.3175.2-68.7-21.1000111.8F24F24-N66 PolarHBondContact O-ND2 3.27Å
67I72.8Confident81.1Confident27 Ų2775.7 Ų75.714%0.13840%0.399CS..  trans-90.7138.9176.7-67.1-171.5000109.9V25 T26 I27 S65 C72 Y85 L87V25-I67 HydrophobicContact CG1-CD1 4.37Å; V25-I67 HydrophobicContact CG1-CG1 3.66Å; T26-I67 WeakPolarHBondContact O-CG1 3.2Å; I27-I67 VanDerWaalsContact CA-CD1 3.49Å; I27-I67 HydrophobicContact CB-CD1 3.73Å; I27-I67 HydrophobicContact CD1-CD1 3.52Å; I27-I67 HydrophobicContact CG1-CD1 3.48Å; I27-I67 VanDerWaalsContact CG1-CD1 3.48Å; I27-I67 HydrophobicContact CG2-CD1 3.91Å; S65-I67 PolarHBondContact OG-N 3.19Å; I67-C72 WeakPolarHBondContact CG2-SG 3.39Å; I67-Y85 HydrophobicContact CD1-CD1 3.92Å; I67-Y85 HydrophobicContact CD1-CE1 4.35Å; I67-L87 HydrophobicContact CD1-CD2 4.41Å; I67-L87 HydrophobicContact CG1-CD2 4.16Å
68E77.4Confident83.3Confident112 Ų11267.1 Ų67.152%0.52336%0.361SS..  trans-96.2122.6171.5-65.1177.4174.700109T70 R71E68-T70 PolarHBondContact O-N 2.76Å; E68-T70 VanDerWaalsContact O-N 3.09Å; E68-R71 HydrophobicContact CB-CG 4.21Å; E68-R71 PolarHBondContact O-N 2.77Å
69D78.6Confident84.5Confident136 Ų13660.8 Ų60.873%0.72733%0.332SS*.G310 helixtrans-55.3-31.8-178-56.8-16.6000112.5R71 C72D69-R71 PolarHBondContact O-N 3Å; D69-R71 VanDerWaalsContact O-N 3.15Å; D69-C72 PolarHBondContact O-N 2.92Å; D69-C72 VanDerWaalsContact O-N 3.15Å
70T87.3Confident85.2Confident131 Ų13159.3 Ų59.380%0.80432%0.319SS*.G310 helixtrans-68.2-8.7177.353.90000114.2E68E68-T70 PolarHBondContact O-N 2.76Å; E68-T70 VanDerWaalsContact O-N 3.09Å
71R85.9Confident85.7Confident68 Ų6859.3 Ų59.326%0.25732%0.32SS..G310 helixtrans-111.113.2177.6-55.2-165.679.6-172.1-1.9112.4E68 D69 D86 S88 H89E68-R71 HydrophobicContact CB-CG 4.21Å; E68-R71 PolarHBondContact O-N 2.77Å; D69-R71 PolarHBondContact O-N 3Å; D69-R71 VanDerWaalsContact O-N 3.15Å; R71-D86 HydrophobicContact CB-CB 4.3Å; R71-D86 IonicContact CZ-OD2 3.86Å; R71-D86 PolarHBondContact NE-O 3.44Å; R71-D86 IonicContact NE-OD2 2.85Å; R71-D86 PolarHBondContact NE-OD2 3.47Å; R71-D86 IonicContact NH2-OD1 2.82Å; R71-D86 PolarHBondContact NH2-OD1 3.23Å; R71-D86 IonicContact NH2-OD2 2.68Å; R71-D86 PolarHBondContact NH2-OD2 2.79Å; R71-D86 PolarHBondContact O-N 3.41Å; R71-S88 PolarHBondContact NH2-OG 3.02Å; R71-H89 PolarHBondContact NH1-CE1 3.4Å; R71-H89 VanDerWaalsContact NH1-CE1 3.28Å; R71-H89 PolarHBondContact NH1-ND1 2.84Å
72C86.4Confident86.3Confident45 Ų4558.4 Ų58.430%0.30431%0.306SS..EExtended strand (participates in β ladder)trans-112.4143.2173.8-60.40000109.8I67 D69 E84 Y85I67-C72 WeakPolarHBondContact CG2-SG 3.39Å; D69-C72 PolarHBondContact O-N 2.92Å; D69-C72 VanDerWaalsContact O-N 3.15Å; C72-E84 VanDerWaalsContact CA-O 3.25Å; C72-E84 WeakPolarHBondContact CA-O 3.44Å; C72-Y85 HydrophobicContact CB-CD1 4.48Å; C72-Y85 VanDerWaalsContact SG-CD1 3.54Å
73S89.4Confident86.5Confident43 Ų4359 Ų5930%0.30131%0.309SS..EExtended strand (participates in β ladder)trans-128.2146.5169.981.60000109.6T83 E84S73-T83 WeakPolarHBondContact O-CA 3.3Å; S73-E84 PolarHBondContact N-O 2.6Å; S73-E84 PolarHBondContact O-N 3.22Å; S73-E84 WeakPolarHBondContact OG-CB 3.27Å; S73-E84 PolarHBondContact OG-OE2 3.49Å
74Y88.6Confident87Confident132 Ų13262 Ų6252%0.51832%0.324SS..EExtended strand (participates in β ladder)trans-122.7131.6169.7175-94.4000109.3S81 W82Y74-S81 WeakPolarHBondContact OH-CB 3.39Å; Y74-W82 WeakPolarHBondContact CA-O 3.16Å
75T93.2Very high87.7Confident72 Ų7257 Ų5744%0.44230%0.3SS..EExtended strand (participates in β ladder)trans-127.6124.3174.8-59.40000109.4S81 W82T75-S81 CarbonylContact O-C 3.3Å; T75-S81 WeakPolarHBondContact O-CA 3.3Å; T75-S81 WeakPolarHBondContact O-CB 3.25Å; T75-W82 HydrophobicContact CG2-CE3 4.3Å; T75-W82 PolarHBondContact N-O 3.44Å; T75-W82 PolarHBondContact O-N 2.71Å
76G92.9Very high88.5Confident16 Ų1656.8 Ų56.817%0.16530%0.295CS..EExtended strand (participates in β ladder)trans-106.5125.8173.600000111.2N323G76-N323 PolarHBondContact O-ND2 3.05Å; G76-N323 PolarHBondContact O-OD1 3.34Å
77L96Very high89.2Confident29 Ų2953.1 Ų53.115%0.15228%0.275CS..EExtended strand (participates in β ladder)trans-140.780.5166.4-167.270.4000107.6R80 W82 L308 F322 N323L77-R80 CarbonylContact C-O 3.45Å; L77-R80 PolarHBondContact N-O 2.85Å; L77-R80 PolarHBondContact O-N 2.78Å; L77-W82 HydrophobicContact CB-CH2 4.32Å; L77-W82 HydrophobicContact CB-CZ3 3.8Å; L77-L308 HydrophobicContact CD2-CD1 4.08Å; L77-L308 HydrophobicContact CD2-CD2 4.24Å; L77-F322 HydrophobicContact CD1-CB 4.04Å; L77-F322 HydrophobicContact CD1-CD2 3.82Å; L77-F322 HydrophobicContact CD1-CG 4.36Å; L77-F322 HydrophobicContact CG-CD2 4.41Å; L77-N323 WeakPolarHBondContact CA-OD1 3.29Å
78Y97Very high90Very high19 Ų1954 Ų548%0.07528%0.283CS..THydrogen-bonded Turntrans-47.3134.1-171.6177.2-89.8000111.9V102 Q304 N323 L325 S329Y78-V102 HydrophobicContact CE1-CB 4.36Å; Y78-V102 HydrophobicContact CE1-CG1 4.04Å; Y78-V102 WeakPolarHBondContact OH-CG1 3.47Å; Y78-Q304 PolarHBondContact O-NE2 3.19Å; Y78-N323 PolarHBondContact N-OD1 3.37Å; Y78-L325 HydrophobicContact CD1-CB 3.58Å; Y78-L325 HydrophobicContact CE1-CB 3.6Å; Y78-L325 VanDerWaalsContact CE1-O 3.31Å; Y78-L325 WeakPolarHBondContact CE1-O 3.15Å; Y78-L325 PolarHBondContact OH-O 3Å; Y78-S329 WeakPolarHBondContact OH-CB 3.29Å; Y78-S329 PolarHBondContact OH-OG 3.27Å
79P96.6Very high90.4Very high9 Ų953.1 Ų53.16%0.05828%0.279CS..THydrogen-bonded Turncis-93.922.710.441.4-42.2000114.5S100 V102 I300P79-S100 WeakPolarHBondContact CG-O 3.39Å; P79-S100 PolarHBondContact O-N 3.4Å; P79-V102 HydrophobicContact CB-CB 3.84Å; P79-V102 HydrophobicContact CB-CG2 4.27Å; P79-V102 HydrophobicContact CG-CB 4.22Å; P79-V102 WeakPolarHBondContact CG-O 3.33Å; P79-I300 HydrophobicContact CG-CD1 3.73Å; P79-I300 HydrophobicContact CG-CG1 4.01Å; P79-I300 HydrophobicContact CG-CG2 4.23Å
80R96.7Very high90.6Very high28 Ų2848.6 Ų48.611%0.10625%0.252CS..EExtended strand (participates in β ladder)trans-110.6151.4176.6-63.9177.1-66.9173.9-2.5110.9L77 W82 Q98 I300L77-R80 CarbonylContact C-O 3.45Å; L77-R80 PolarHBondContact N-O 2.85Å; L77-R80 PolarHBondContact O-N 2.78Å; R80-W82 HydrophobicContact CB-CH2 3.44Å; R80-W82 VanDerWaalsContact CB-CH2 3.44Å; R80-W82 HydrophobicContact CB-CZ2 3.98Å; R80-W82 HydrophobicContact CB-CZ3 3.78Å; R80-W82 HydrophobicContact CG-CH2 4.36Å; R80-Q98 VanDerWaalsContact CA-O 3.3Å; R80-Q98 WeakPolarHBondContact CA-O 3.43Å; R80-I300 HydrophobicContact CG-CD1 4.25Å; R80-I300 HydrophobicContact CG-CG2 4.3Å
81S93.9Very high90.7Very high13 Ų1342.7 Ų42.79%0.09122%0.217CC..EExtended strand (participates in β ladder)trans-143158.7164.462.90000111.2Y74 T75 Q98Y74-S81 WeakPolarHBondContact OH-CB 3.39Å; T75-S81 CarbonylContact O-C 3.3Å; T75-S81 WeakPolarHBondContact O-CA 3.3Å; T75-S81 WeakPolarHBondContact O-CB 3.25Å; S81-Q98 PolarHBondContact N-O 3.37Å; S81-Q98 VanDerWaalsContact N-O 3.08Å; S81-Q98 PolarHBondContact O-N 3.06Å
82W95Very high90.8Very high51 Ų5139.5 Ų39.519%0.19321%0.205CC..EExtended strand (participates in β ladder)trans-126.9136.3179.7-62.6-107000108.8Y74 T75 L77 R80 C96 R97Y74-W82 WeakPolarHBondContact CA-O 3.16Å; T75-W82 HydrophobicContact CG2-CE3 4.3Å; T75-W82 PolarHBondContact N-O 3.44Å; T75-W82 PolarHBondContact O-N 2.71Å; L77-W82 HydrophobicContact CB-CH2 4.32Å; L77-W82 HydrophobicContact CB-CZ3 3.8Å; R80-W82 HydrophobicContact CB-CH2 3.44Å; R80-W82 VanDerWaalsContact CB-CH2 3.44Å; R80-W82 HydrophobicContact CB-CZ2 3.98Å; R80-W82 HydrophobicContact CB-CZ3 3.78Å; R80-W82 HydrophobicContact CG-CH2 4.36Å; W82-C96 CarbonylContact C-O 3.55Å; W82-C96 WeakPolarHBondContact CA-O 3.5Å; W82-R97 VanDerWaalsContact CD1-CG 3.49Å
83T90.4Very high91.2Very high19 Ų1942.2 Ų42.212%0.11721%0.209CC..EExtended strand (participates in β ladder)trans-121.4121.8164.4-43.40000108.6S73 Y85 T95 C96S73-T83 WeakPolarHBondContact O-CA 3.3Å; T83-Y85 HydrophobicContact CG2-CE1 3.95Å; T83-Y85 HydrophobicContact CG2-CE2 3.68Å; T83-Y85 VanDerWaalsContact CG2-OH 3.28Å; T83-Y85 WeakPolarHBondContact CG2-OH 3.37Å; T83-T95 CarbonylContact O-C 3.43Å; T83-T95 WeakPolarHBondContact O-CA 3.45Å; T83-C96 PolarHBondContact N-O 3Å; T83-C96 PolarHBondContact O-N 3.5Å
84E91.4Very high91.3Very high91 Ų9140.3 Ų40.343%0.42520%0.195SC..EExtended strand (participates in β ladder)trans-108.1138.4-179.8-54.8172.316000109.3C72 S73 L94 T95C72-E84 VanDerWaalsContact CA-O 3.25Å; C72-E84 WeakPolarHBondContact CA-O 3.44Å; S73-E84 PolarHBondContact N-O 2.6Å; S73-E84 PolarHBondContact O-N 3.22Å; S73-E84 WeakPolarHBondContact OG-CB 3.27Å; S73-E84 PolarHBondContact OG-OE2 3.49Å; E84-L94 WeakPolarHBondContact CA-O 3.43Å; E84-T95 HydrophobicContact CG-CG2 4.09Å
85Y87.1Confident91.6Very high14 Ų1435.8 Ų35.86%0.05518%0.182CC..EExtended strand (participates in β ladder)trans-125.5109.2177.7-52.2-89.4000108.6I27 T29 I67 C72 T83 L87 L94 W119I27-Y85 HydrophobicContact CB-CE1 4.5Å; I27-Y85 HydrophobicContact CD1-CD1 3.45Å; I27-Y85 VanDerWaalsContact CD1-CD1 3.45Å; I27-Y85 HydrophobicContact CD1-CD2 3.52Å; I27-Y85 HydrophobicContact CD1-CE1 3.61Å; I27-Y85 HydrophobicContact CD1-CE2 3.69Å; I27-Y85 HydrophobicContact CD1-CG 3.38Å; I27-Y85 HydrophobicContact CG2-CD1 4.14Å; I27-Y85 HydrophobicContact CG2-CE1 3.33Å; I27-Y85 HydrophobicContact CG2-CE2 4.34Å; I27-Y85 VanDerWaalsContact CG2-CZ 3.44Å; I27-Y85 WeakPolarHBondContact CG2-OH 3.39Å; T29-Y85 WeakPolarHBondContact CG2-OH 3.42Å; I67-Y85 HydrophobicContact CD1-CD1 3.92Å; I67-Y85 HydrophobicContact CD1-CE1 4.35Å; C72-Y85 HydrophobicContact CB-CD1 4.48Å; C72-Y85 VanDerWaalsContact SG-CD1 3.54Å; T83-Y85 HydrophobicContact CG2-CE1 3.95Å; T83-Y85 HydrophobicContact CG2-CE2 3.68Å; T83-Y85 VanDerWaalsContact CG2-OH 3.28Å; T83-Y85 WeakPolarHBondContact CG2-OH 3.37Å; Y85-L87 PolarHBondContact O-N 3.19Å; Y85-L87 VanDerWaalsContact O-N 3.13Å; Y85-L94 HydrophobicContact CD2-CB 4.16Å; Y85-L94 PolarHBondContact N-O 3.34Å; Y85-L94 PolarHBondContact O-N 2.98Å; Y85-L94 VanDerWaalsContact O-N 3.15Å; Y85-W119 HydrophobicContact CD2-CH2 4.25Å; Y85-W119 AromaticContact CD2-CZ3 3.88Å; Y85-W119 HydrophobicContact CD2-CZ3 3.88Å; Y85-W119 AromaticContact CE2-CH2 3.53Å; Y85-W119 HydrophobicContact CE2-CH2 3.53Å; Y85-W119 AromaticContact CE2-CZ3 3.62Å; Y85-W119 HydrophobicContact CE2-CZ3 3.62Å
86D89.1Confident91.7Very high57 Ų5732.5 Ų32.531%0.30516%0.161SC..EExtended strand (participates in β ladder)trans-82.390.3173179.217.8000110.3R71 S88R71-D86 HydrophobicContact CB-CB 4.3Å; R71-D86 IonicContact CZ-OD2 3.86Å; R71-D86 PolarHBondContact NE-O 3.44Å; R71-D86 IonicContact NE-OD2 2.85Å; R71-D86 PolarHBondContact NE-OD2 3.47Å; R71-D86 IonicContact NH2-OD1 2.82Å; R71-D86 PolarHBondContact NH2-OD1 3.23Å; R71-D86 IonicContact NH2-OD2 2.68Å; R71-D86 PolarHBondContact NH2-OD2 2.79Å; R71-D86 PolarHBondContact O-N 3.41Å; D86-S88 WeakPolarHBondContact OD1-CB 3.4Å; D86-S88 PolarHBondContact OD1-N 3.19Å; D86-S88 VanDerWaalsContact OD1-N 3.12Å; D86-S88 PolarHBondContact OD1-OG 3.34Å
87L87.3Confident91.8Very high4 Ų434.1 Ų34.12%0.02116%0.163CC..EExtended strand (participates in β ladder)trans-102.524.1176.4-54.8-175.7000111.6V25 I67 Y85 H89 Y90 G91 V92 L94V25-L87 HydrophobicContact CB-CD1 4.21Å; V25-L87 HydrophobicContact CG1-CD1 3.81Å; V25-L87 HydrophobicContact CG1-CD2 3.79Å; V25-L87 HydrophobicContact CG1-CG 4.39Å; I67-L87 HydrophobicContact CD1-CD2 4.41Å; I67-L87 HydrophobicContact CG1-CD2 4.16Å; Y85-L87 PolarHBondContact O-N 3.19Å; Y85-L87 VanDerWaalsContact O-N 3.13Å; L87-H89 PolarHBondContact O-N 2.91Å; L87-Y90 HydrophobicContact CB-CD2 4.23Å; L87-Y90 WeakPolarHBondContact O-CA 3.32Å; L87-Y90 WeakPolarHBondContact O-CB 3.41Å; L87-Y90 PolarHBondContact O-N 3.33Å; L87-G91 PolarHBondContact O-N 3.48Å; L87-V92 CarbonylContact C-O 3.57Å; L87-V92 VanDerWaalsContact CA-O 3.29Å; L87-V92 WeakPolarHBondContact CA-O 3.27Å; L87-V92 HydrophobicContact CB-CG2 3.99Å; L87-V92 VanDerWaalsContact CB-O 3.28Å; L87-V92 WeakPolarHBondContact CB-O 3.47Å; L87-V92 HydrophobicContact CD1-CG2 4.45Å; L87-V92 PolarHBondContact N-O 2.98Å; L87-V92 PolarHBondContact O-N 3.36Å; L87-L94 HydrophobicContact CD1-CD1 3.61Å; L87-L94 HydrophobicContact CD1-CG 4.35Å
88S89.6Confident91.7Very high45 Ų4535.5 Ų35.532%0.31517%0.168SC..G310 helixtrans-58.9-25-171.851.90000114R71 D86 Y90 G91 V92R71-S88 PolarHBondContact NH2-OG 3.02Å; D86-S88 WeakPolarHBondContact OD1-CB 3.4Å; D86-S88 PolarHBondContact OD1-N 3.19Å; D86-S88 VanDerWaalsContact OD1-N 3.12Å; D86-S88 PolarHBondContact OD1-OG 3.34Å; S88-Y90 PolarHBondContact O-N 3.41Å; S88-G91 WeakPolarHBondContact O-CA 3.34Å; S88-G91 PolarHBondContact O-N 3.16Å; S88-V92 PolarHBondContact N-O 2.97Å; S88-V92 VanDerWaalsContact N-O 3.11Å
89H86.8Confident91.6Very high94 Ų9434.7 Ų34.744%0.43517%0.165SC..G310 helixtrans-67.9-23.417363.4-61.3000113.3R71 L87 G91R71-H89 PolarHBondContact NH1-CE1 3.4Å; R71-H89 VanDerWaalsContact NH1-CE1 3.28Å; R71-H89 PolarHBondContact NH1-ND1 2.84Å; L87-H89 PolarHBondContact O-N 2.91Å; H89-G91 VanDerWaalsContact C-N 3.35Å
90Y82.4Confident91.5Very high41 Ų4135.3 Ų35.316%0.16117%0.17CC..G310 helixtrans-92.44168.8-56.5-70.4000112.4D23 V25 L87 S88D23-Y90 HydrophobicContact CB-CD1 4.16Å; D23-Y90 HydrophobicContact CB-CE1 4.15Å; V25-Y90 HydrophobicContact CB-CD2 4.24Å; V25-Y90 HydrophobicContact CB-CE2 4.11Å; V25-Y90 HydrophobicContact CG1-CD2 4.19Å; V25-Y90 HydrophobicContact CG1-CE2 3.81Å; V25-Y90 HydrophobicContact CG2-CD1 3.81Å; V25-Y90 HydrophobicContact CG2-CD2 3.07Å; V25-Y90 HydrophobicContact CG2-CE1 4Å; V25-Y90 HydrophobicContact CG2-CE2 3.19Å; V25-Y90 HydrophobicContact CG2-CG 3.35Å; L87-Y90 HydrophobicContact CB-CD2 4.23Å; L87-Y90 WeakPolarHBondContact O-CA 3.32Å; L87-Y90 WeakPolarHBondContact O-CB 3.41Å; L87-Y90 PolarHBondContact O-N 3.33Å; S88-Y90 PolarHBondContact O-N 3.41Å
91G88.4Confident91.4Very high6 Ų634.1 Ų34.16%0.06217%0.166CC..THydrogen-bonded Turntrans81.513.4177.200000115.4L87 S88 H89 N123 V124L87-G91 PolarHBondContact O-N 3.48Å; S88-G91 WeakPolarHBondContact O-CA 3.34Å; S88-G91 PolarHBondContact O-N 3.16Å; H89-G91 VanDerWaalsContact C-N 3.35Å; G91-N123 PolarHBondContact O-OD1 2.92Å; G91-V124 VanDerWaalsContact C-CG2 3.44Å; G91-V124 WeakPolarHBondContact O-CG2 3.44Å; G91-V124 PolarHBondContact O-N 2.86Å
92V89.1Confident91.5Very high1 Ų134.1 Ų34.11%0.00617%0.165CC..EExtended strand (participates in β ladder)trans-133.4150.1176.4-64.20000112.1L87 S88 E122 R129 V131L87-V92 CarbonylContact C-O 3.57Å; L87-V92 VanDerWaalsContact CA-O 3.29Å; L87-V92 WeakPolarHBondContact CA-O 3.27Å; L87-V92 HydrophobicContact CB-CG2 3.99Å; L87-V92 VanDerWaalsContact CB-O 3.28Å; L87-V92 WeakPolarHBondContact CB-O 3.47Å; L87-V92 HydrophobicContact CD1-CG2 4.45Å; L87-V92 PolarHBondContact N-O 2.98Å; L87-V92 PolarHBondContact O-N 3.36Å; S88-V92 PolarHBondContact N-O 2.97Å; S88-V92 VanDerWaalsContact N-O 3.11Å; V92-E122 CarbonylContact C-O 3.38Å; V92-E122 WeakPolarHBondContact CA-O 3.47Å; V92-R129 HydrophobicContact CG1-CB 4.34Å; V92-R129 HydrophobicContact CG1-CG 4.36Å; V92-V131 HydrophobicContact CG1-CG2 3.91Å
93R93.3Very high91.5Very high103 Ų10331.9 Ų31.939%0.38916%0.157SC..EExtended strand (participates in β ladder)trans-121.6146.7163.8-70.1-173.1-132.2119.93.8109.2E122 V124R93-E122 HydrophobicContact CB-CB 4.28Å; R93-E122 IonicContact CZ-OE1 2.78Å; R93-E122 IonicContact CZ-OE2 3.01Å; R93-E122 PolarHBondContact N-O 3.28Å; R93-E122 IonicContact NH1-OE1 2.84Å; R93-E122 PolarHBondContact NH1-OE1 2.84Å; R93-E122 IonicContact NH1-OE2 3.87Å; R93-E122 PolarHBondContact NH1-OE2 3.41Å; R93-E122 PolarHBondContact O-N 3.33Å; R93-V124 HydrophobicContact CB-CG1 4.35Å; R93-V124 HydrophobicContact CG-CG1 3.99Å; R93-V124 HydrophobicContact CG-CG2 4.48Å
94L92.1Very high91.5Very high2 Ų231.5 Ų31.51%0.0116%0.155CC..EExtended strand (participates in β ladder)trans-131.7138.5-176.4-52.9168.8000111V16 I27 E84 Y85 L87 W119 S120 V121V16-L94 HydrophobicContact CB-CD1 3.98Å; V16-L94 HydrophobicContact CG1-CD1 3.78Å; V16-L94 HydrophobicContact CG2-CD1 3.35Å; I27-L94 HydrophobicContact CD1-CD1 3.93Å; E84-L94 WeakPolarHBondContact CA-O 3.43Å; Y85-L94 HydrophobicContact CD2-CB 4.16Å; Y85-L94 PolarHBondContact N-O 3.34Å; Y85-L94 PolarHBondContact O-N 2.98Å; Y85-L94 VanDerWaalsContact O-N 3.15Å; L87-L94 HydrophobicContact CD1-CD1 3.61Å; L87-L94 HydrophobicContact CD1-CG 4.35Å; L94-W119 HydrophobicContact CB-CE3 4.31Å; L94-W119 HydrophobicContact CB-CZ3 4.2Å; L94-W119 HydrophobicContact CD1-CZ3 4.39Å; L94-S120 WeakPolarHBondContact CA-O 3.22Å; L94-V121 HydrophobicContact CD2-CB 4.17Å; L94-V121 HydrophobicContact CD2-CG1 3.82Å; L94-V121 HydrophobicContact CD2-CG2 3.96Å
95T95.1Very high91.3Very high38 Ų3830 Ų3023%0.23315%0.147CC..EExtended strand (participates in β ladder)trans-130.9119.4170.3-57.10000108.7T83 E84 R97 W119 S120T83-T95 CarbonylContact O-C 3.43Å; T83-T95 WeakPolarHBondContact O-CA 3.45Å; E84-T95 HydrophobicContact CG-CG2 4.09Å; T95-R97 HydrophobicContact CG2-CG 4.1Å; T95-W119 CarbonylContact O-C 3.57Å; T95-W119 WeakPolarHBondContact O-CA 3.29Å; T95-S120 PolarHBondContact N-O 3.13Å; T95-S120 PolarHBondContact O-N 2.98Å
96C94.9Very high91.3Very high2 Ų232 Ų321%0.01416%0.157CC..EExtended strand (participates in β ladder)trans-94.2114.4169.8-176.80000109W82 T83 W119W82-C96 CarbonylContact C-O 3.55Å; W82-C96 WeakPolarHBondContact CA-O 3.5Å; T83-C96 PolarHBondContact N-O 3Å; T83-C96 PolarHBondContact O-N 3.5Å; C96-W119 HydrophobicContact CB-CD2 3.84Å; C96-W119 HydrophobicContact CB-CE3 3.91Å; C96-W119 HydrophobicContact CB-CH2 3.75Å; C96-W119 HydrophobicContact CB-CZ2 3.63Å; C96-W119 HydrophobicContact CB-CZ3 3.87Å; C96-W119 VanDerWaalsContact SG-CE2 3.57Å
97R95.1Very high91.3Very high51 Ų5129.5 Ų29.519%0.19214%0.144CC..EExtended strand (participates in β ladder)trans-97.9119.4172.1-53.2-173.5-88.3138.9-5.2108.6W82 T95 F117 V118 D246 E297W82-R97 VanDerWaalsContact CD1-CG 3.49Å; T95-R97 HydrophobicContact CG2-CG 4.1Å; R97-F117 CarbonylContact O-C 3.51Å; R97-F117 WeakPolarHBondContact O-CA 3.26Å; R97-V118 HydrophobicContact CB-CB 4.28Å; R97-V118 PolarHBondContact N-O 3.36Å; R97-V118 PolarHBondContact O-N 3.19Å; R97-D246 IonicContact NH2-OD2 2.9Å; R97-D246 PolarHBondContact NH2-OD2 3.35Å; R97-E297 IonicContact NH1-OE1 3.66Å; R97-E297 PolarHBondContact NH1-OE1 2.8Å; R97-E297 IonicContact NH1-OE2 3.49Å; R97-E297 PolarHBondContact NH1-OE2 3.48Å
98Q94.1Very high91.4Very high58 Ų5833.6 Ų33.627%0.27116%0.159SC..EExtended strand (participates in β ladder)trans-102.9126179.5-47-178.143.200108.5R80 S81 V116 F117R80-Q98 VanDerWaalsContact CA-O 3.3Å; R80-Q98 WeakPolarHBondContact CA-O 3.43Å; S81-Q98 PolarHBondContact N-O 3.37Å; S81-Q98 VanDerWaalsContact N-O 3.08Å; S81-Q98 PolarHBondContact O-N 3.06Å; Q98-V116 CarbonylContact C-O 3.5Å; Q98-V116 WeakPolarHBondContact CA-O 3.48Å; Q98-F117 HydrophobicContact CB-CD1 4.35Å; Q98-F117 HydrophobicContact CB-CE1 4.45Å; Q98-F117 HydrophobicContact CG-CD1 3.8Å; Q98-F117 HydrophobicContact CG-CE1 4.02Å
99V95.9Very high91.5Very high1 Ų132.3 Ų32.31%0.00615%0.148CC..EExtended strand (participates in β ladder)trans-129118.4-173.6-172.60000109.7V116 E297 I300V99-V116 PolarHBondContact N-O 2.78Å; V99-V116 PolarHBondContact O-N 3.42Å; V99-E297 HydrophobicContact CG1-CG 4.06Å; V99-E297 HydrophobicContact CG2-CG 3.86Å; V99-I300 HydrophobicContact CG1-CD1 4.03Å
100S93.4Very high91.9Very high22 Ų2228.9 Ų28.915%0.15414%0.135CC..  trans-107.8139.8167-70.20000110.3P79 V102P79-S100 WeakPolarHBondContact CG-O 3.39Å; P79-S100 PolarHBondContact O-N 3.4Å; S100-V102 PolarHBondContact O-N 2.94Å
101P95.1Very high92.6Very high4 Ų427.8 Ų27.83%0.02613%0.133CC..  trans-79.341.6-170.932.2-36.7000114.6I103 E109 S110 L112 W296P101-I103 PolarHBondContact O-N 3.3Å; P101-E109 HydrophobicContact CB-CB 4.24Å; P101-E109 WeakPolarHBondContact CB-O 3.33Å; P101-E109 VanDerWaalsContact CG-O 3.22Å; P101-E109 WeakPolarHBondContact CG-O 3.48Å; P101-E109 CarbonylContact O-C 3.54Å; P101-E109 VanDerWaalsContact O-C 3.3Å; P101-S110 WeakPolarHBondContact O-CA 3.31Å; P101-S110 PolarHBondContact O-N 3.35Å; P101-S110 PolarHBondContact O-OG 2.83Å; P101-L112 HydrophobicContact CG-CB 4.03Å; P101-W296 HydrophobicContact CB-CD2 3.66Å; P101-W296 HydrophobicContact CB-CE3 3.76Å; P101-W296 HydrophobicContact CB-CG 4.1Å; P101-W296 HydrophobicContact CB-CH2 4.19Å; P101-W296 HydrophobicContact CB-CZ2 4.11Å; P101-W296 HydrophobicContact CB-CZ3 4.03Å; P101-W296 HydrophobicContact CG-CE3 4.33Å; P101-W296 HydrophobicContact CG-CH2 4.15Å; P101-W296 HydrophobicContact CG-CZ2 4.42Å; P101-W296 HydrophobicContact CG-CZ3 4.11Å
102V96.1Very high93Very high12 Ų1228 Ų287%0.07313%0.133CC..  trans-84.799.6179.4-176.10000110Y78 P79 S100 W386Y78-V102 HydrophobicContact CE1-CB 4.36Å; Y78-V102 HydrophobicContact CE1-CG1 4.04Å; Y78-V102 WeakPolarHBondContact OH-CG1 3.47Å; P79-V102 HydrophobicContact CB-CB 3.84Å; P79-V102 HydrophobicContact CB-CG2 4.27Å; P79-V102 HydrophobicContact CG-CB 4.22Å; P79-V102 WeakPolarHBondContact CG-O 3.33Å; S100-V102 PolarHBondContact O-N 2.94Å; V102-W386 HydrophobicContact CG1-CH2 3.8Å; V102-W386 HydrophobicContact CG1-CZ2 3.51Å
103I93.9Very high93.3Very high4 Ų428.5 Ų28.52%0.02114%0.136CC..  trans-130.4121.3-166.9-59162.1000108.8P101 H105 E106 E109 S110 W296 L299 I300 W386P101-I103 PolarHBondContact O-N 3.3Å; I103-H105 PolarHBondContact O-N 2.52Å; I103-E106 HydrophobicContact CB-CB 3.86Å; I103-E106 HydrophobicContact CB-CG 4.24Å; I103-E106 HydrophobicContact CG2-CB 3.81Å; I103-E106 HydrophobicContact CG2-CG 3.62Å; I103-E106 PolarHBondContact O-N 3.27Å; I103-E106 VanDerWaalsContact O-N 3.14Å; I103-E109 HydrophobicContact CD1-CB 4.29Å; I103-S110 PolarHBondContact N-OG 2.88Å; I103-S110 PolarHBondContact O-OG 3.29Å; I103-W296 HydrophobicContact CD1-CB 3.97Å; I103-W296 HydrophobicContact CD1-CG 4.2Å; I103-L299 HydrophobicContact CD1-CB 4.2Å; I103-L299 HydrophobicContact CD1-CD1 4.22Å; I103-L299 HydrophobicContact CG2-CB 3.99Å; I103-I300 HydrophobicContact CD1-CG1 4.44Å; I103-I300 HydrophobicContact CG1-CD1 4.44Å; I103-I300 HydrophobicContact CG1-CG1 3.8Å; I103-W386 PolarHBondContact O-NE1 2.88Å
104P92Very high93.5Very high12 Ų1223.7 Ų23.78%0.07812%0.118CC..THydrogen-bonded Turntrans-50.1138.7174.3-29.337.3000112.1E106 W303 L385 W386P104-E106 PolarHBondContact O-N 3.38Å; P104-W303 HydrophobicContact CG-CD2 3.74Å; P104-W303 HydrophobicContact CG-CE3 3.93Å; P104-W303 HydrophobicContact CG-CG 4.02Å; P104-W303 HydrophobicContact CG-CZ2 4.46Å; P104-W303 HydrophobicContact CG-CZ3 4.29Å; P104-L385 CarbonylContact C-O 3.55Å; P104-L385 VanDerWaalsContact CA-O 3.29Å; P104-L385 WeakPolarHBondContact CA-O 3.01Å; P104-L385 HydrophobicContact CB-CB 4Å; P104-L385 HydrophobicContact CB-CD2 3.97Å; P104-L385 HydrophobicContact CG-CB 4.15Å; P104-L385 HydrophobicContact CG-CD2 3.77Å; P104-L385 HydrophobicContact CG-CG 4.4Å; P104-W386 HydrophobicContact CG-CZ2 4.44Å
105H85.9Confident93.7Very high58 Ų5824.1 Ų24.127%0.26912%0.122SC..THydrogen-bonded Turntrans61.9-2.8-177.5-48.3-76.5000116.9I103 Y107 H384 L385I103-H105 PolarHBondContact O-N 2.52Å; H105-Y107 WeakPolarHBondContact O-CD2 3.12Å; H105-Y107 WeakPolarHBondContact O-CE2 3.31Å; H105-H384 PolarHBondContact CE1-O 3.13Å; H105-H384 PolarHBondContact NE2-O 3.38Å; H105-L385 PolarHBondContact N-O 2.86Å
106E87Confident93.9Very high56 Ų5622.3 Ų22.326%0.26211%0.111SC..  trans-104.683.6179.1-69.3-64.7165.200111.2I103 P104 E109 S110 L299I103-E106 HydrophobicContact CB-CB 3.86Å; I103-E106 HydrophobicContact CB-CG 4.24Å; I103-E106 HydrophobicContact CG2-CB 3.81Å; I103-E106 HydrophobicContact CG2-CG 3.62Å; I103-E106 PolarHBondContact O-N 3.27Å; I103-E106 VanDerWaalsContact O-N 3.14Å; P104-E106 PolarHBondContact O-N 3.38Å; E106-E109 HydrophobicContact CB-CB 4.45Å; E106-S110 WeakPolarHBondContact O-CB 3.3Å; E106-S110 PolarHBondContact O-N 3.08Å; E106-S110 PolarHBondContact O-OG 3.24Å; E106-L299 HydrophobicContact CG-CD1 4.39Å
107Y89.6Confident94Very high5 Ų523.1 Ų23.12%0.0211%0.114CC..Hα-helixtrans-71.5-32.2-171.2-58.5-85.7000114.1H105 S111 W335 Y355 W386 P387 N388 L389 V530H105-Y107 WeakPolarHBondContact O-CD2 3.12Å; H105-Y107 WeakPolarHBondContact O-CE2 3.31Å; Y107-S111 WeakPolarHBondContact O-CB 3.37Å; Y107-S111 PolarHBondContact O-N 2.88Å; Y107-W335 HydrophobicContact CD1-CH2 4.09Å; Y107-W335 HydrophobicContact CD1-CZ2 4.23Å; Y107-W335 WeakPolarHBondContact O-CH2 3.34Å; Y107-Y355 HydrophobicContact CD1-CD1 4.02Å; Y107-Y355 HydrophobicContact CD1-CE1 4.43Å; Y107-Y355 HydrophobicContact CD2-CD1 4.07Å; Y107-Y355 AromaticContact CD2-CE1 3.66Å; Y107-Y355 HydrophobicContact CD2-CE1 3.66Å; Y107-Y355 HydrophobicContact CE1-CD1 4.37Å; Y107-Y355 HydrophobicContact CE2-CD1 4.41Å; Y107-Y355 AromaticContact CE2-CE1 3.93Å; Y107-Y355 HydrophobicContact CE2-CE1 3.93Å; Y107-Y355 AromaticContact CG-CD1 3.86Å; Y107-Y355 HydrophobicContact CG-CD1 3.86Å; Y107-Y355 AromaticContact CG-CE1 3.94Å; Y107-Y355 HydrophobicContact CG-CE1 3.94Å; Y107-W386 HydrophobicContact CE1-CB 4.09Å; Y107-P387 WeakPolarHBondContact OH-CD 3.5Å; Y107-N388 HydrophobicContact CE1-CB 3.95Å; Y107-N388 HydrophobicContact CE2-CB 4.34Å; Y107-N388 WeakPolarHBondContact OH-CB 3.5Å; Y107-N388 PolarHBondContact OH-N 2.96Å; Y107-N388 PolarHBondContact OH-ND2 3.03Å; Y107-L389 HydrophobicContact CD1-CD1 4.35Å; Y107-L389 HydrophobicContact CD1-CD2 4.38Å; Y107-L389 HydrophobicContact CD1-CG 4.01Å; Y107-L389 HydrophobicContact CE1-CD1 4.42Å; Y107-L389 HydrophobicContact CE1-CG 3.86Å; Y107-V530 HydrophobicContact CD2-CG1 3.81Å; Y107-V530 HydrophobicContact CD2-CG2 4.33Å; Y107-V530 HydrophobicContact CE2-CG1 3.53Å
108R89.6Confident94.1Very high90 Ų9020.7 Ų20.734%0.3411%0.105SC..Hα-helixtrans-64.5-56.7176.3174.8-180-177.6-173.12110.2S111 Y274 Y288R108-S111 PolarHBondContact O-N 2.93Å; R108-S111 PolarHBondContact O-OG 3.48Å; R108-Y274 HydrophobicContact CB-CD2 4.41Å; R108-Y274 HydrophobicContact CB-CE1 4Å; R108-Y274 HydrophobicContact CB-CE2 3.87Å; R108-Y274 HydrophobicContact CG-CD1 3.88Å; R108-Y274 HydrophobicContact CG-CD2 3.8Å; R108-Y274 HydrophobicContact CG-CE1 3.84Å; R108-Y274 HydrophobicContact CG-CE2 3.77Å; R108-Y274 HydrophobicContact CG-CG 3.85Å; R108-Y288 PolarHBondContact NE-OH 2.84Å; R108-Y288 PolarHBondContact NH1-OH 3.44Å; R108-Y288 VanDerWaalsContact NH2-CE2 3.26Å; R108-Y288 PolarHBondContact NH2-OH 3.24Å
109E92.1Very high94.2Very high18 Ų1818 Ų188%0.0849%0.092CC..Hα-helixtrans-64.6-43.9-174.6-52.9-53.7139.500110.3P101 I103 E106 S111 L112 Y288 W296P101-E109 HydrophobicContact CB-CB 4.24Å; P101-E109 WeakPolarHBondContact CB-O 3.33Å; P101-E109 VanDerWaalsContact CG-O 3.22Å; P101-E109 WeakPolarHBondContact CG-O 3.48Å; P101-E109 CarbonylContact O-C 3.54Å; P101-E109 VanDerWaalsContact O-C 3.3Å; I103-E109 HydrophobicContact CD1-CB 4.29Å; E106-E109 HydrophobicContact CB-CB 4.45Å; E109-S111 PolarHBondContact O-N 3.4Å; E109-L112 WeakPolarHBondContact O-CB 3.26Å; E109-L112 WeakPolarHBondContact O-CG 3.37Å; E109-L112 PolarHBondContact O-N 2.81Å; E109-L112 VanDerWaalsContact O-N 3.08Å; E109-Y288 PolarHBondContact OE1-OH 2.77Å; E109-Y288 WeakPolarHBondContact OE2-CE1 3.17Å; E109-W296 PolarHBondContact OE2-NE1 3.42Å
110S95.7Very high94.3Very high23 Ų2319.3 Ų19.316%0.16110%0.102CC..Hα-helixtrans-62.9-16.1177.5-58.30000114.5P101 I103 E106P101-S110 WeakPolarHBondContact O-CA 3.31Å; P101-S110 PolarHBondContact O-N 3.35Å; P101-S110 PolarHBondContact O-OG 2.83Å; I103-S110 PolarHBondContact N-OG 2.88Å; I103-S110 PolarHBondContact O-OG 3.29Å; E106-S110 WeakPolarHBondContact O-CB 3.3Å; E106-S110 PolarHBondContact O-N 3.08Å; E106-S110 PolarHBondContact O-OG 3.24Å
111S95.6Very high94.4Very high17 Ų1718.3 Ų18.312%0.1199%0.094CC..THydrogen-bonded Turntrans-86.2-14.1177.977.40000114.2Y107 R108 E109 Y271Y107-S111 WeakPolarHBondContact O-CB 3.37Å; Y107-S111 PolarHBondContact O-N 2.88Å; R108-S111 PolarHBondContact O-N 2.93Å; R108-S111 PolarHBondContact O-OG 3.48Å; E109-S111 PolarHBondContact O-N 3.4Å; S111-Y271 WeakPolarHBondContact O-CB 3.16Å
112L96.6Very high94.5Very high12 Ų1221.4 Ų21.46%0.06311%0.109CC..  trans-72.3130.4-165.7-60-178.1000112.3P101 E109 C114 F275 Y288 W296P101-L112 HydrophobicContact CG-CB 4.03Å; E109-L112 WeakPolarHBondContact O-CB 3.26Å; E109-L112 WeakPolarHBondContact O-CG 3.37Å; E109-L112 PolarHBondContact O-N 2.81Å; E109-L112 VanDerWaalsContact O-N 3.08Å; L112-C114 PolarHBondContact O-N 3.25Å; L112-F275 HydrophobicContact CD2-CD2 4.04Å; L112-F275 HydrophobicContact CD2-CE2 3.46Å; L112-F275 VanDerWaalsContact CD2-CE2 3.46Å; L112-F275 HydrophobicContact CD2-CZ 4.39Å; L112-Y288 HydrophobicContact CD1-CD1 3.91Å; L112-Y288 HydrophobicContact CD1-CE1 3.75Å; L112-W296 HydrophobicContact CD1-CH2 4.18Å; L112-W296 HydrophobicContact CD1-CZ2 3.72Å
113P96.9Very high94.4Very high10 Ų1020.8 Ų20.87%0.06511%0.105CC..  trans-84.664.5-179.736.2-37.2000111A252 W253 Y271 I285P113-A252 WeakPolarHBondContact O-CA 3.49Å; P113-W253 HydrophobicContact CB-CD2 4.14Å; P113-W253 HydrophobicContact CB-CG 4.04Å; P113-W253 HydrophobicContact CB-CZ2 4.34Å; P113-W253 VanDerWaalsContact CB-NE1 3.32Å; P113-W253 WeakPolarHBondContact CB-O 3.4Å; P113-W253 VanDerWaalsContact CG-O 3.26Å; P113-W253 WeakPolarHBondContact CG-O 3.48Å; P113-W253 PolarHBondContact O-N 3.39Å; P113-Y271 HydrophobicContact CG-CD1 3.91Å; P113-Y271 HydrophobicContact CG-CD2 4.07Å; P113-Y271 HydrophobicContact CG-CE1 3.91Å; P113-Y271 HydrophobicContact CG-CE2 4.09Å; P113-Y271 HydrophobicContact CG-CG 4Å; P113-I285 HydrophobicContact CG-CD1 4.16Å
114C97.1Very high94.4Very high2 Ų222 Ų221%0.01411%0.112CC..EExtended strand (participates in β ladder)trans-149.8160.9-178.669.50000114.1L112 V250 L251 A252 I285L112-C114 PolarHBondContact O-N 3.25Å; C114-V250 HydrophobicContact CB-CG2 4.39Å; C114-L251 CarbonylContact C-O 3.56Å; C114-L251 WeakPolarHBondContact CA-O 3.28Å; C114-L251 WeakPolarHBondContact CB-O 3.5Å; C114-A252 HydrophobicContact CB-CB 3.95Å; C114-I285 HydrophobicContact CB-CG2 4.05Å
115A96.6Very high94.4Very high12 Ų1222.4 Ų22.410%0.09912%0.115CC..EExtended strand (participates in β ladder)trans-137.3141168.600000109.8F117 V250 L251A115-F117 HydrophobicContact CB-CE2 3.98Å; A115-F117 HydrophobicContact CB-CZ 4.13Å; A115-V250 WeakPolarHBondContact O-CA 3.33Å; A115-L251 PolarHBondContact N-O 2.93Å; A115-L251 PolarHBondContact O-N 2.85Å
116V97.9Very high94.7Very high0 Ų026 Ų260%014%0.137CC..EExtended strand (participates in β ladder)trans-106.7136.6176.41780000109.4Q98 V99 V118 F249 V250 A289 Y293 W296Q98-V116 CarbonylContact C-O 3.5Å; Q98-V116 WeakPolarHBondContact CA-O 3.48Å; V99-V116 PolarHBondContact N-O 2.78Å; V99-V116 PolarHBondContact O-N 3.42Å; V116-V118 HydrophobicContact CG1-CG2 3.92Å; V116-F249 CarbonylContact C-O 3.55Å; V116-F249 WeakPolarHBondContact CA-O 3.49Å; V116-F249 WeakPolarHBondContact CG1-O 3.32Å; V116-V250 HydrophobicContact CG2-CB 4.37Å; V116-V250 HydrophobicContact CG2-CG2 4.22Å; V116-A289 HydrophobicContact CG2-CB 3.94Å; V116-Y293 HydrophobicContact CB-CG 4.39Å; V116-Y293 HydrophobicContact CG1-CD1 4.04Å; V116-Y293 HydrophobicContact CG1-CD2 4.19Å; V116-Y293 HydrophobicContact CG1-CG 3.77Å; V116-W296 HydrophobicContact CG2-CZ3 3.99Å
117F97.3Very high94.8Very high18 Ų1827.7 Ų27.78%0.07915%0.145CC..EExtended strand (participates in β ladder)trans-118.8103.9-179.3-56.7-97.1000108.1F14 R97 Q98 A115 F135 F249 L251F14-F117 HydrophobicContact CE1-CB 4.06Å; F14-F117 HydrophobicContact CE1-CD1 4.3Å; F14-F117 HydrophobicContact CE1-CG 4.07Å; F14-F117 AromaticContact CE2-CD1 3.58Å; F14-F117 HydrophobicContact CE2-CD1 3.58Å; F14-F117 AromaticContact CE2-CE1 3.67Å; F14-F117 HydrophobicContact CE2-CE1 3.67Å; F14-F117 HydrophobicContact CE2-CG 4.13Å; F14-F117 HydrophobicContact CE2-CZ 4.28Å; F14-F117 HydrophobicContact CZ-CB 3.84Å; F14-F117 AromaticContact CZ-CD1 3.29Å; F14-F117 HydrophobicContact CZ-CD1 3.29Å; F14-F117 AromaticContact CZ-CD2 3.77Å; F14-F117 HydrophobicContact CZ-CD2 3.77Å; F14-F117 AromaticContact CZ-CE1 3.69Å; F14-F117 HydrophobicContact CZ-CE1 3.69Å; F14-F117 HydrophobicContact CZ-CE2 4.12Å; F14-F117 AromaticContact CZ-CG 3.35Å; F14-F117 HydrophobicContact CZ-CG 3.35Å; F14-F117 HydrophobicContact CZ-CZ 4.08Å; R97-F117 CarbonylContact O-C 3.51Å; R97-F117 WeakPolarHBondContact O-CA 3.26Å; Q98-F117 HydrophobicContact CB-CD1 4.35Å; Q98-F117 HydrophobicContact CB-CE1 4.45Å; Q98-F117 HydrophobicContact CG-CD1 3.8Å; Q98-F117 HydrophobicContact CG-CE1 4.02Å; A115-F117 HydrophobicContact CB-CE2 3.98Å; A115-F117 HydrophobicContact CB-CZ 4.13Å; F117-F135 AromaticContact CD2-CE1 3.93Å; F117-F135 HydrophobicContact CD2-CE1 3.93Å; F117-F135 HydrophobicContact CD2-CZ 4.36Å; F117-F135 AromaticContact CE2-CE1 3.9Å; F117-F135 HydrophobicContact CE2-CE1 3.9Å; F117-F135 AromaticContact CE2-CZ 3.95Å; F117-F135 HydrophobicContact CE2-CZ 3.95Å; F117-F135 HydrophobicContact CZ-CZ 4.32Å; F117-F249 HydrophobicContact CB-CB 4.29Å; F117-F249 PolarHBondContact N-O 3.29Å; F117-F249 PolarHBondContact O-N 3.03Å; F117-L251 HydrophobicContact CE2-CB 3.97Å
118V97.6Very high94.8Very high0 Ų032.8 Ų32.80%017%0.169CC..EExtended strand (participates in β ladder)trans-98108.6-179.9-171.10000108.5R97 V116 D246 E248 Y293R97-V118 HydrophobicContact CB-CB 4.28Å; R97-V118 PolarHBondContact N-O 3.36Å; R97-V118 PolarHBondContact O-N 3.19Å; V116-V118 HydrophobicContact CG1-CG2 3.92Å; V118-D246 HydrophobicContact CG1-CB 4.06Å; V118-E248 HydrophobicContact CG1-CG 4.29Å; V118-Y293 HydrophobicContact CG2-CD2 3.86Å; V118-Y293 HydrophobicContact CG2-CE2 3.46Å; V118-Y293 VanDerWaalsContact CG2-CE2 3.46Å
119W96.8Very high94.6Very high1 Ų129.6 Ų29.60%0.00416%0.156CC..EExtended strand (participates in β ladder)trans-92.7101.7177.7-76.386.8000110.1F14 V16 I27 Y85 L94 T95 C96 V121 I133 D246 L247 F249F14-W119 HydrophobicContact CB-CH2 4.34Å; F14-W119 HydrophobicContact CB-CZ2 3.59Å; F14-W119 AromaticContact CD1-CE2 3.91Å; F14-W119 AromaticContact CD1-CZ2 3.91Å; F14-W119 HydrophobicContact CD1-CZ2 3.91Å; F14-W119 AromaticContact CD1-NE1 3.4Å; F14-W119 HydrophobicContact CD2-CZ2 4.29Å; F14-W119 AromaticContact CE1-NE1 3.59Å; F14-W119 AromaticContact CG-CZ2 3.68Å; F14-W119 HydrophobicContact CG-CZ2 3.68Å; V16-W119 HydrophobicContact CG2-CE3 4.49Å; V16-W119 HydrophobicContact CG2-CH2 4.45Å; V16-W119 HydrophobicContact CG2-CZ3 4.06Å; I27-W119 HydrophobicContact CD1-CH2 4.22Å; I27-W119 HydrophobicContact CD1-CZ3 4.21Å; Y85-W119 HydrophobicContact CD2-CH2 4.25Å; Y85-W119 AromaticContact CD2-CZ3 3.88Å; Y85-W119 HydrophobicContact CD2-CZ3 3.88Å; Y85-W119 AromaticContact CE2-CH2 3.53Å; Y85-W119 HydrophobicContact CE2-CH2 3.53Å; Y85-W119 AromaticContact CE2-CZ3 3.62Å; Y85-W119 HydrophobicContact CE2-CZ3 3.62Å; L94-W119 HydrophobicContact CB-CE3 4.31Å; L94-W119 HydrophobicContact CB-CZ3 4.2Å; L94-W119 HydrophobicContact CD1-CZ3 4.39Å; T95-W119 CarbonylContact O-C 3.57Å; T95-W119 WeakPolarHBondContact O-CA 3.29Å; C96-W119 HydrophobicContact CB-CD2 3.84Å; C96-W119 HydrophobicContact CB-CE3 3.91Å; C96-W119 HydrophobicContact CB-CH2 3.75Å; C96-W119 HydrophobicContact CB-CZ2 3.63Å; C96-W119 HydrophobicContact CB-CZ3 3.87Å; C96-W119 VanDerWaalsContact SG-CE2 3.57Å; W119-V121 PolarHBondContact O-N 3.32Å; W119-I133 HydrophobicContact CB-CG1 4.44Å; W119-I133 HydrophobicContact CD2-CD1 4.45Å; W119-I133 HydrophobicContact CD2-CG2 4.11Å; W119-I133 HydrophobicContact CE3-CD1 4.29Å; W119-I133 HydrophobicContact CG-CG2 4.03Å; W119-D246 CarbonylContact O-C 3.45Å; W119-D246 VanDerWaalsContact O-CA 3.31Å; W119-D246 WeakPolarHBondContact O-CA 3.43Å; W119-L247 HydrophobicContact CB-CB 4.23Å; W119-L247 WeakPolarHBondContact CB-O 3.09Å; W119-L247 PolarHBondContact N-O 2.68Å; W119-L247 PolarHBondContact O-N 3.36Å; W119-F249 AromaticContact CD1-CD2 3.87Å
120S97.1Very high94.4Very high30 Ų3034 Ų3421%0.2118%0.175CC..EExtended strand (participates in β ladder)trans-77.8115.2169.1-63.70000109.3L94 T95 D246L94-S120 WeakPolarHBondContact CA-O 3.22Å; T95-S120 PolarHBondContact N-O 3.13Å; T95-S120 PolarHBondContact O-N 2.98Å; S120-D246 WeakPolarHBondContact CA-OD1 3.4Å; S120-D246 VanDerWaalsContact CB-OD1 3.27Å; S120-D246 WeakPolarHBondContact CB-OD1 3.5Å; S120-D246 PolarHBondContact OG-OD1 3.44Å
121V95.5Very high94.1Very high0 Ų032.9 Ų32.90%017%0.167CC..EExtended strand (participates in β ladder)trans-106.4115.1-179.9-173.50000108.7L94 W119 V131 L239 S244 H245 L247L94-V121 HydrophobicContact CD2-CB 4.17Å; L94-V121 HydrophobicContact CD2-CG1 3.82Å; L94-V121 HydrophobicContact CD2-CG2 3.96Å; W119-V121 PolarHBondContact O-N 3.32Å; V121-V131 HydrophobicContact CG1-CB 3.82Å; V121-V131 HydrophobicContact CG1-CG1 3.74Å; V121-V131 HydrophobicContact CG1-CG2 3.71Å; V121-V131 HydrophobicContact CG2-CG1 4.44Å; V121-L239 HydrophobicContact CB-CD1 4.06Å; V121-L239 HydrophobicContact CG1-CD1 3.52Å; V121-S244 CarbonylContact O-C 3.51Å; V121-S244 WeakPolarHBondContact O-CA 3.3Å; V121-S244 WeakPolarHBondContact O-CB 3.44Å; V121-H245 WeakPolarHBondContact CB-O 3.46Å; V121-H245 PolarHBondContact N-O 3.01Å; V121-H245 PolarHBondContact O-N 3.39Å; V121-L247 HydrophobicContact CG2-CD1 4.25Å
122E96.9Very high93.9Very high69 Ų6932.1 Ų32.132%0.32216%0.162SC..EExtended strand (participates in β ladder)trans-108122.5177.8-170.1-170.9171.400109.6V92 R93 V124V92-E122 CarbonylContact C-O 3.38Å; V92-E122 WeakPolarHBondContact CA-O 3.47Å; R93-E122 HydrophobicContact CB-CB 4.28Å; R93-E122 IonicContact CZ-OE1 2.78Å; R93-E122 IonicContact CZ-OE2 3.01Å; R93-E122 PolarHBondContact N-O 3.28Å; R93-E122 IonicContact NH1-OE1 2.84Å; R93-E122 PolarHBondContact NH1-OE1 2.84Å; R93-E122 IonicContact NH1-OE2 3.87Å; R93-E122 PolarHBondContact NH1-OE2 3.41Å; R93-E122 PolarHBondContact O-N 3.33Å; E122-V124 HydrophobicContact CB-CG1 4.27Å; E122-V124 HydrophobicContact CG-CG1 3.68Å
123N94.1Very high93.7Very high0 Ų031.6 Ų31.60%016%0.159CC..EExtended strand (participates in β ladder)trans-83.3115.2167179.82.4000108.9G91 C125 Q127 R129 L239 K240 M242 A243G91-N123 PolarHBondContact O-OD1 2.92Å; N123-C125 PolarHBondContact OD1-N 3.02Å; N123-C125 VanDerWaalsContact OD1-N 3.12Å; N123-C125 PolarHBondContact OD1-SG 3.4Å; N123-Q127 PolarHBondContact ND2-O 2.94Å; N123-R129 HydrophobicContact CB-CB 4.44Å; N123-R129 HydrophobicContact CB-CG 4.45Å; N123-R129 VanDerWaalsContact OD1-CG 3.31Å; N123-R129 WeakPolarHBondContact OD1-CG 3.38Å; N123-L239 HydrophobicContact CB-CB 3.86Å; N123-L239 HydrophobicContact CB-CD1 4.12Å; N123-L239 PolarHBondContact ND2-O 2.84Å; N123-K240 PolarHBondContact ND2-O 3.47Å; N123-M242 CarbonylContact O-C 3.59Å; N123-M242 WeakPolarHBondContact O-CA 3.26Å; N123-M242 PolarHBondContact O-N 2.86Å; N123-A243 WeakPolarHBondContact CB-O 3.41Å; N123-A243 PolarHBondContact N-O 2.95Å
124V95.5Very high93.4Very high28 Ų2831.1 Ų31.117%0.1716%0.156CC..  trans-107.511.4-174.4-59.20000113.1G91 R93 E122G91-V124 VanDerWaalsContact C-CG2 3.44Å; G91-V124 WeakPolarHBondContact O-CG2 3.44Å; G91-V124 PolarHBondContact O-N 2.86Å; R93-V124 HydrophobicContact CB-CG1 4.35Å; R93-V124 HydrophobicContact CG-CG1 3.99Å; R93-V124 HydrophobicContact CG-CG2 4.48Å; E122-V124 HydrophobicContact CB-CG1 4.27Å; E122-V124 HydrophobicContact CG-CG1 3.68Å
125C89.9Confident93.2Very high21 Ų2131.2 Ų31.214%0.14216%0.157CC..SBendtrans-115.1175.5176.876.80000112.4N123 Q127 R129 P241 M242N123-C125 PolarHBondContact OD1-N 3.02Å; N123-C125 VanDerWaalsContact OD1-N 3.12Å; N123-C125 PolarHBondContact OD1-SG 3.4Å; C125-Q127 VanDerWaalsContact C-N 3.3Å; C125-R129 PolarHBondContact SG-NE 2.59Å; C125-R129 PolarHBondContact SG-NH2 2.79Å; C125-P241 WeakPolarHBondContact O-CA 3.42Å; C125-M242 PolarHBondContact O-N 3.01Å
126D92.8Very high92.9Very high134 Ų13430.6 Ų30.672%0.71715%0.152SC*.SBendtrans-86.23.9-17864.5-17.1000113.9P241D126-P241 VanDerWaalsContact O-CG 3.25Å; D126-P241 WeakPolarHBondContact O-CG 3.3Å
127Q89.5Confident92.5Very high92 Ų9230.8 Ų30.843%0.4315%0.153SC..SBendtrans-114.4156.6-179-66.7176.63.200111.6N123 C125N123-Q127 PolarHBondContact ND2-O 2.94Å; C125-Q127 VanDerWaalsContact C-N 3.3Å
128E89.2Confident92.2Very high112 Ų11231 Ų3152%0.52315%0.153SC..  trans-62.1143168.5-172178108.500110.1L239E128-L239 WeakPolarHBondContact CA-O 3.25Å; E128-L239 WeakPolarHBondContact CG-O 3.43Å
129R85.1Confident91.8Very high22 Ų2231.1 Ų31.18%0.08315%0.154CC..EExtended strand (participates in β ladder)trans-130.3125.8179.2-66-71.7174.1-111.19.6109.9W18 V92 N123 C125 V131 L239W18-R129 VanDerWaalsContact CE2-CD 3.43Å; W18-R129 VanDerWaalsContact CZ2-CZ 3.45Å; W18-R129 VanDerWaalsContact CZ2-NE 3.32Å; V92-R129 HydrophobicContact CG1-CB 4.34Å; V92-R129 HydrophobicContact CG1-CG 4.36Å; N123-R129 HydrophobicContact CB-CB 4.44Å; N123-R129 HydrophobicContact CB-CG 4.45Å; N123-R129 VanDerWaalsContact OD1-CG 3.31Å; N123-R129 WeakPolarHBondContact OD1-CG 3.38Å; C125-R129 PolarHBondContact SG-NE 2.59Å; C125-R129 PolarHBondContact SG-NH2 2.79Å; R129-V131 HydrophobicContact CB-CG2 4.45Å; R129-L239 PolarHBondContact N-O 3.44Å; R129-L239 PolarHBondContact O-N 2.82Å
130K89.3Confident91.4Very high110 Ų11031.3 Ų31.348%0.47816%0.157SC..EExtended strand (participates in β ladder)trans-95.2123.9166.8-68.9-177.7-177.9177.80108.6V237 A238K130-V237 WeakPolarHBondContact CA-O 3.34Å; K130-A238 HydrophobicContact CG-CB 4.03Å
131V89.1Confident90.7Very high0 Ų030.3 Ų30.30%015%0.149CC..EExtended strand (participates in β ladder)trans-123.9128.8-177.2-174.20000108.7V16 V92 V121 R129 I133 Q236 V237V16-V131 HydrophobicContact CG1-CG1 4.05Å; V92-V131 HydrophobicContact CG1-CG2 3.91Å; V121-V131 HydrophobicContact CG1-CB 3.82Å; V121-V131 HydrophobicContact CG1-CG1 3.74Å; V121-V131 HydrophobicContact CG1-CG2 3.71Å; V121-V131 HydrophobicContact CG2-CG1 4.44Å; R129-V131 HydrophobicContact CB-CG2 4.45Å; V131-I133 HydrophobicContact CG1-CD1 4.26Å; V131-Q236 WeakPolarHBondContact O-CA 3.33Å; V131-V237 PolarHBondContact N-O 2.88Å; V131-V237 PolarHBondContact O-N 3.34Å
132S91Very high90Very high2 Ų231 Ų311%0.01416%0.156CC..EExtended strand (participates in β ladder)trans-113.6133.4175.1-63.80000110V16 I17 G213 G235 Q236V16-S132 CarbonylContact C-O 3.5Å; V16-S132 WeakPolarHBondContact CA-O 3.33Å; I17-S132 PolarHBondContact N-O 3.44Å; I17-S132 PolarHBondContact O-N 3.25Å; S132-G213 VanDerWaalsContact CB-O 3.31Å; S132-G213 WeakPolarHBondContact CB-O 3.18Å; S132-G213 PolarHBondContact OG-O 2.86Å; S132-G235 CarbonylContact C-O 3.59Å; S132-G235 WeakPolarHBondContact CA-O 3.23Å; S132-Q236 WeakPolarHBondContact OG-CB 3.42Å; S132-Q236 WeakPolarHBondContact OG-CG 3.42Å; S132-Q236 PolarHBondContact OG-NE2 3.29Å
133I91.6Very high89.3Confident0 Ų031.3 Ų31.30%016%0.16CC..EExtended strand (participates in β ladder)trans-117.6124.3172-50.5-66.7000107.4W15 V16 W119 V131 C234 G235 L247 F249W15-I133 CarbonylContact O-C 3.43Å; W15-I133 WeakPolarHBondContact O-CA 3.48Å; V16-I133 HydrophobicContact CB-CD1 3.88Å; V16-I133 HydrophobicContact CG1-CD1 3.84Å; V16-I133 HydrophobicContact CG2-CD1 3.15Å; W119-I133 HydrophobicContact CB-CG1 4.44Å; W119-I133 HydrophobicContact CD2-CD1 4.45Å; W119-I133 HydrophobicContact CD2-CG2 4.11Å; W119-I133 HydrophobicContact CE3-CD1 4.29Å; W119-I133 HydrophobicContact CG-CG2 4.03Å; V131-I133 HydrophobicContact CG1-CD1 4.26Å; I133-C234 CarbonylContact O-C 3.51Å; I133-C234 VanDerWaalsContact O-CA 3.31Å; I133-C234 WeakPolarHBondContact O-CA 3.49Å; I133-G235 PolarHBondContact N-O 3.49Å; I133-G235 PolarHBondContact O-N 2.8Å; I133-L247 HydrophobicContact CB-CD1 3.97Å; I133-L247 HydrophobicContact CG1-CD1 3.36Å; I133-F249 HydrophobicContact CB-CE2 3.87Å; I133-F249 HydrophobicContact CB-CZ 3.96Å; I133-F249 HydrophobicContact CG2-CE2 3.71Å; I133-F249 HydrophobicContact CG2-CZ 4.02Å; I133-F249 VanDerWaalsContact O-CZ 3.32Å; I133-F249 WeakPolarHBondContact O-CZ 3.11Å
134T92.2Very high88.8Confident0 Ų040.2 Ų40.20%020%0.199CC..EExtended strand (participates in β ladder)trans-117.9120.6179.8-53.60000110.1F14 W15 T136 L209 L215 A232 V233 C234F14-T134 CarbonylContact C-O 2.81Å; F14-T134 WeakPolarHBondContact CA-O 3.35Å; W15-T134 PolarHBondContact N-O 3.25Å; W15-T134 PolarHBondContact O-N 2.83Å; T134-T136 HydrophobicContact CG2-CG2 4.16Å; T134-L209 HydrophobicContact CG2-CD1 4.33Å; T134-L209 WeakPolarHBondContact OG1-CD2 3.27Å; T134-L215 HydrophobicContact CG2-CD1 4.08Å; T134-A232 HydrophobicContact CG2-CB 3.94Å; T134-V233 CarbonylContact C-O 3.44Å; T134-V233 VanDerWaalsContact CA-O 3.29Å; T134-V233 WeakPolarHBondContact CA-O 3.45Å; T134-C234 HydrophobicContact CG2-CB 4.09Å; T134-C234 WeakPolarHBondContact OG1-CB 3.41Å; T134-C234 PolarHBondContact OG1-SG 2.9Å
135F92.3Very high88.3Confident4 Ų447 Ų472%0.01823%0.226CC..EExtended strand (participates in β ladder)trans-96.2117.7173.3-169.5-175.6000109.4F14 F117 F137 L180 A232 V233 F249 L251F14-F135 HydrophobicContact CD1-CB 3.98Å; F14-F135 AromaticContact CD1-CD2 3.91Å; F14-F135 HydrophobicContact CD1-CD2 3.91Å; F14-F135 AromaticContact CD1-CG 3.9Å; F14-F135 HydrophobicContact CD1-CG 3.9Å; F14-F135 HydrophobicContact CD2-CD2 4.42Å; F14-F135 HydrophobicContact CD2-CE2 4.43Å; F14-F135 HydrophobicContact CE1-CB 3.79Å; F14-F135 AromaticContact CE1-CD1 3.55Å; F14-F135 HydrophobicContact CE1-CD1 3.55Å; F14-F135 AromaticContact CE1-CD2 3.54Å; F14-F135 HydrophobicContact CE1-CD2 3.54Å; F14-F135 AromaticContact CE1-CE1 3.91Å; F14-F135 HydrophobicContact CE1-CE1 3.91Å; F14-F135 AromaticContact CE1-CE2 3.93Å; F14-F135 HydrophobicContact CE1-CE2 3.93Å; F14-F135 AromaticContact CE1-CG 3.34Å; F14-F135 HydrophobicContact CE1-CG 3.34Å; F14-F135 HydrophobicContact CE1-CZ 4.09Å; F14-F135 HydrophobicContact CE2-CD2 4.08Å; F14-F135 AromaticContact CE2-CE2 3.77Å; F14-F135 HydrophobicContact CE2-CE2 3.77Å; F14-F135 HydrophobicContact CE2-CZ 4.06Å; F14-F135 HydrophobicContact CG-CD2 4.33Å; F14-F135 AromaticContact CZ-CD1 3.78Å; F14-F135 HydrophobicContact CZ-CD1 3.78Å; F14-F135 AromaticContact CZ-CD2 3.6Å; F14-F135 HydrophobicContact CZ-CD2 3.6Å; F14-F135 AromaticContact CZ-CE1 3.62Å; F14-F135 HydrophobicContact CZ-CE1 3.62Å; F14-F135 AromaticContact CZ-CE2 3.47Å; F14-F135 HydrophobicContact CZ-CE2 3.47Å; F14-F135 VanDerWaalsContact CZ-CE2 3.47Å; F14-F135 AromaticContact CZ-CG 3.77Å; F14-F135 HydrophobicContact CZ-CG 3.77Å; F14-F135 AromaticContact CZ-CZ 3.46Å; F14-F135 HydrophobicContact CZ-CZ 3.46Å; F14-F135 VanDerWaalsContact CZ-CZ 3.46Å; F117-F135 AromaticContact CD2-CE1 3.93Å; F117-F135 HydrophobicContact CD2-CE1 3.93Å; F117-F135 HydrophobicContact CD2-CZ 4.36Å; F117-F135 AromaticContact CE2-CE1 3.9Å; F117-F135 HydrophobicContact CE2-CE1 3.9Å; F117-F135 AromaticContact CE2-CZ 3.95Å; F117-F135 HydrophobicContact CE2-CZ 3.95Å; F117-F135 HydrophobicContact CZ-CZ 4.32Å; F135-F137 HydrophobicContact CE2-CD2 4.32Å; F135-L180 HydrophobicContact CB-CD2 4.26Å; F135-L180 HydrophobicContact CD1-CD2 3.69Å; F135-L180 HydrophobicContact CD1-CG 4.3Å; F135-L180 HydrophobicContact CD2-CD2 3.8Å; F135-L180 HydrophobicContact CE1-CD2 3.95Å; F135-L180 HydrophobicContact CE1-CG 4.28Å; F135-L180 HydrophobicContact CE2-CD2 4.02Å; F135-L180 HydrophobicContact CG-CD2 3.62Å; F135-L180 HydrophobicContact CZ-CD2 4.1Å; F135-A232 CarbonylContact O-C 3.53Å; F135-A232 VanDerWaalsContact O-CA 3.29Å; F135-A232 WeakPolarHBondContact O-CA 3.48Å; F135-V233 PolarHBondContact N-O 3.43Å; F135-V233 PolarHBondContact O-N 2.93Å; F135-F249 HydrophobicContact CB-CD1 3.97Å; F135-F249 HydrophobicContact CB-CE1 4.33Å; F135-F249 HydrophobicContact CD1-CB 4.06Å; F135-F249 HydrophobicContact CD1-CD1 4.43Å; F135-L251 HydrophobicContact CE1-CB 3.97Å; F135-L251 HydrophobicContact CZ-CB 4.05Å; F135-L251 HydrophobicContact CZ-CD2 4.41Å
136T90.4Very high87.9Confident0 Ų049.1 Ų49.10%023%0.234CC..EExtended strand (participates in β ladder)trans-110146.4176.658.60000111.9L13 W15 W63 T134 F196 L205 V231 A232L13-T136 PolarHBondContact N-O 2.58Å; L13-T136 PolarHBondContact O-N 3.29Å; L13-T136 PolarHBondContact O-OG1 2.72Å; W15-T136 PolarHBondContact NE1-OG1 3.49Å; W63-T136 HydrophobicContact CH2-CG2 4.19Å; T134-T136 HydrophobicContact CG2-CG2 4.16Å; T136-F196 HydrophobicContact CG2-CE1 4.33Å; T136-F196 HydrophobicContact CG2-CZ 4.48Å; T136-L205 HydrophobicContact CG2-CD2 4.33Å; T136-V231 VanDerWaalsContact CA-O 3.28Å; T136-V231 WeakPolarHBondContact CA-O 3.06Å; T136-A232 HydrophobicContact CG2-CB 3.72Å
137F90.2Very high87.5Confident4 Ų443.2 Ų43.22%0.01820%0.202CC..EExtended strand (participates in β ladder)trans-153.3151.7178.8-150.5-101.8000111.1L4 Q7 F135 Y178 L180 G230 V231 L251L4-F137 HydrophobicContact CD2-CZ 3.74Å; Q7-F137 VanDerWaalsContact OE1-CE1 3.31Å; F135-F137 HydrophobicContact CE2-CD2 4.32Å; F137-Y178 AromaticContact CD1-CD2 3.94Å; F137-Y178 HydrophobicContact CD1-CD2 3.94Å; F137-Y178 HydrophobicContact CD1-CG 4.32Å; F137-Y178 AromaticContact CE1-CD2 3.51Å; F137-Y178 HydrophobicContact CE1-CD2 3.51Å; F137-Y178 AromaticContact CE1-CE2 3.87Å; F137-Y178 HydrophobicContact CE1-CE2 3.87Å; F137-Y178 AromaticContact CE1-CG 3.92Å; F137-Y178 HydrophobicContact CE1-CG 3.92Å; F137-L180 HydrophobicContact CB-CD1 3.57Å; F137-L180 HydrophobicContact CB-CD2 3.56Å; F137-L180 HydrophobicContact CB-CG 4.17Å; F137-L180 HydrophobicContact CD1-CD1 4.27Å; F137-L180 HydrophobicContact CG-CD1 4.03Å; F137-L180 HydrophobicContact CG-CD2 4.41Å; F137-G230 CarbonylContact O-C 3.59Å; F137-G230 WeakPolarHBondContact O-CA 3.41Å; F137-V231 PolarHBondContact N-O 3Å; F137-V231 PolarHBondContact O-N 2.93Å; F137-L251 HydrophobicContact CD1-CD1 4.45Å; F137-L251 HydrophobicContact CD2-CD1 4.49Å; F137-L251 HydrophobicContact CD2-CD2 4.32Å; F137-L251 HydrophobicContact CE1-CD1 4.45Å; F137-L251 HydrophobicContact CE2-CD1 4.49Å; F137-L251 HydrophobicContact CE2-CD2 3.73Å; F137-L251 HydrophobicContact CG-CD1 4.48Å; F137-L251 HydrophobicContact CZ-CD1 4.49Å; F137-L251 HydrophobicContact CZ-CD2 3.95Å
138K89.3Confident87.3Confident21 Ų2141.7 Ų41.79%0.09121%0.206CC..EExtended strand (participates in β ladder)trans-113.3163.4175.676168-172.81800112.4Q7 S11 D147 P198 I229Q7-K138 PolarHBondContact NE2-O 3.17Å; S11-K138 VanDerWaalsContact CB-CD 3.45Å; S11-K138 WeakPolarHBondContact OG-CD 3.34Å; S11-K138 WeakPolarHBondContact OG-CE 3.34Å; S11-K138 WeakPolarHBondContact OG-CG 3.43Å; K138-D147 IonicContact NZ-OD2 3.42Å; K138-P198 HydrophobicContact CB-CB 4.42Å; K138-I229 WeakPolarHBondContact CA-O 3.42Å
139N90.3Very high87.1Confident4 Ų441.6 Ų41.62%0.02121%0.205CC..SBendtrans-69.6171.3167.672.7-68000112.6Q7 A152 I167 D228 I229Q7-N139 PolarHBondContact NE2-O 2.92Å; N139-A152 HydrophobicContact CB-CB 3.53Å; N139-I167 HydrophobicContact CB-CG2 3.6Å; N139-D228 PolarHBondContact ND2-OD1 2.63Å; N139-D228 WeakPolarHBondContact OD1-CA 3.38Å; N139-D228 WeakPolarHBondContact OD1-CB 3.48Å; N139-I229 HydrophobicContact CB-CG1 4.19Å; N139-I229 PolarHBondContact N-O 3.05Å; N139-I229 PolarHBondContact OD1-N 3.24Å; N139-I229 PolarHBondContact OD1-O 2.9Å; N139-I229 VanDerWaalsContact OD1-O 3.06Å
140G87.9Confident87.1Confident5 Ų541.7 Ų41.75%0.05221%0.212CC..SBendtrans96.7-159.8171.300000114.2Q7 D147 Y178Q7-G140 VanDerWaalsContact CD-O 3.22Å; Q7-G140 VanDerWaalsContact NE2-C 3.25Å; Q7-G140 PolarHBondContact NE2-O 3.16Å; G140-D147 WeakPolarHBondContact CA-OD1 3.49Å; G140-Y178 WeakPolarHBondContact O-CE2 3.41Å; G140-Y178 PolarHBondContact O-OH 2.75Å; G140-Y178 VanDerWaalsContact O-OH 3.07Å
141T83.5Confident87Confident9 Ų939.6 Ų39.66%0.05522%0.222CC..  trans-125.1-4.6177.865.10000112.3M3 N143 Q146 D147 I171M3-T141 HydrophobicContact SD-CG2 3.74Å; T141-N143 WeakPolarHBondContact OG1-CB 3.39Å; T141-N143 PolarHBondContact OG1-N 2.94Å; T141-Q146 PolarHBondContact OG1-OE1 3.39Å; T141-D147 PolarHBondContact N-OD1 2.59Å; T141-I171 HydrophobicContact CG2-CD1 3.85Å; T141-I171 HydrophobicContact CG2-CG1 4.05Å; T141-I171 HydrophobicContact CG2-CG2 3.72Å
142G79.3Confident87.2Confident14 Ų1440.3 Ų40.314%0.14423%0.228CC..SBendtrans84.4-6.1-16800000112.9K144 D147G142-K144 PolarHBondContact O-N 2.84Å; G142-D147 VanDerWaalsContact CA-OD2 3.3Å; G142-D147 WeakPolarHBondContact CA-OD2 3.04Å; G142-D147 PolarHBondContact N-OD1 2.95Å; G142-D147 PolarHBondContact N-OD2 3.06Å; G142-D147 VanDerWaalsContact N-OD2 3.16Å
143N83.6Confident87.4Confident76 Ų7646.9 Ų46.941%0.40626%0.258SS..  trans-80.7111171.7-175.7-59.6000109.9T141 K145 Q146 D147T141-N143 WeakPolarHBondContact OG1-CB 3.39Å; T141-N143 PolarHBondContact OG1-N 2.94Å; N143-K145 PolarHBondContact O-N 2.99Å; N143-K145 WeakPolarHBondContact OD1-CB 3.14Å; N143-K145 PolarHBondContact OD1-N 3.5Å; N143-Q146 HydrophobicContact CB-CB 4.13Å; N143-Q146 HydrophobicContact CB-CG 4.17Å; N143-Q146 PolarHBondContact O-N 2.84Å; N143-Q146 PolarHBondContact OD1-N 3.49Å; N143-D147 WeakPolarHBondContact O-CB 3.39Å; N143-D147 VanDerWaalsContact O-CG 3.29Å; N143-D147 PolarHBondContact O-N 2.98Å
144K83.3Confident87.5Confident186 Ų18648.4 Ų48.481%0.80927%0.269SS*.Hα-helixtrans-50.2-33.6-178.2-66.2-177.6-179.1175.40114.8G142 A148G142-K144 PolarHBondContact O-N 2.84Å; K144-A148 VanDerWaalsContact O-CB 3.26Å; K144-A148 WeakPolarHBondContact O-CB 3.35Å; K144-A148 PolarHBondContact O-N 3.33Å
145K85.2Confident87.7Confident170 Ų17052.4 Ų52.474%0.73929%0.288SS*.Hα-helixtrans-75.7-45.3-179.5-175-175.7174.5-172.40111.2N143N143-K145 PolarHBondContact O-N 2.99Å; N143-K145 WeakPolarHBondContact OD1-CB 3.14Å; N143-K145 PolarHBondContact OD1-N 3.5Å
146Q81.6Confident87.9Confident67 Ų6755.1 Ų55.131%0.31330%0.302SS..Hα-helixtrans-67.6-45.9177.4-66.4179-45.400110.7T141 N143 A148 E149T141-Q146 PolarHBondContact OG1-OE1 3.39Å; N143-Q146 HydrophobicContact CB-CB 4.13Å; N143-Q146 HydrophobicContact CB-CG 4.17Å; N143-Q146 PolarHBondContact O-N 2.84Å; N143-Q146 PolarHBondContact OD1-N 3.49Å; Q146-A148 PolarHBondContact O-N 3.29Å; Q146-E149 VanDerWaalsContact O-CB 3.23Å; Q146-E149 WeakPolarHBondContact O-CB 3.25Å; Q146-E149 WeakPolarHBondContact O-CG 3.42Å; Q146-E149 PolarHBondContact O-N 2.93Å
147D83.6Confident88.1Confident9 Ų955.4 Ų55.45%0.04830%0.304CS..Hα-helixtrans-59.8-35179.6-66.50.1000111.2K138 G140 T141 G142 N143 E149 G150K138-D147 IonicContact NZ-OD2 3.42Å; G140-D147 WeakPolarHBondContact CA-OD1 3.49Å; T141-D147 PolarHBondContact N-OD1 2.59Å; G142-D147 VanDerWaalsContact CA-OD2 3.3Å; G142-D147 WeakPolarHBondContact CA-OD2 3.04Å; G142-D147 PolarHBondContact N-OD1 2.95Å; G142-D147 PolarHBondContact N-OD2 3.06Å; G142-D147 VanDerWaalsContact N-OD2 3.16Å; N143-D147 WeakPolarHBondContact O-CB 3.39Å; N143-D147 VanDerWaalsContact O-CG 3.29Å; N143-D147 PolarHBondContact O-N 2.98Å; D147-E149 PolarHBondContact O-N 2.81Å; D147-G150 PolarHBondContact O-N 3.23Å; D147-G150 VanDerWaalsContact O-N 3.13Å
148A85.7Confident88.4Confident61 Ų6159.2 Ų59.250%0.50433%0.331SS..THydrogen-bonded Turntrans-66.8-15.7176.400000115K144 Q146 G150 K227K144-A148 VanDerWaalsContact O-CB 3.26Å; K144-A148 WeakPolarHBondContact O-CB 3.35Å; K144-A148 PolarHBondContact O-N 3.33Å; Q146-A148 PolarHBondContact O-N 3.29Å; A148-G150 VanDerWaalsContact C-N 3.28Å; A148-K227 WeakPolarHBondContact O-CD 3.34Å; A148-K227 PolarHBondContact O-NZ 3.39Å
149E84.9Confident88.7Confident110 Ų11061.9 Ų61.951%0.51434%0.344SS..THydrogen-bonded Turntrans-63.9-39.4172.3-63175-179.500109.8Q146 D147 K227Q146-E149 VanDerWaalsContact O-CB 3.23Å; Q146-E149 WeakPolarHBondContact O-CB 3.25Å; Q146-E149 WeakPolarHBondContact O-CG 3.42Å; Q146-E149 PolarHBondContact O-N 2.93Å; D147-E149 PolarHBondContact O-N 2.81Å; E149-K227 WeakPolarHBondContact O-CD 3.32Å; E149-K227 PolarHBondContact O-NZ 3.4Å
150G84.1Confident88.9Confident23 Ų2364.8 Ų64.824%0.23737%0.374CS..  trans68.6-150.3177.300000113.3D147 A148D147-G150 PolarHBondContact O-N 3.23Å; D147-G150 VanDerWaalsContact O-N 3.13Å; A148-G150 VanDerWaalsContact C-N 3.28Å
151G87.1Confident89.3Confident66 Ų6668.4 Ų68.468%0.6839%0.392SS*.  trans82.520.4179.700000114.1
152A93.3Very high89.9Confident15 Ų1568 Ų6812%0.12439%0.39CS..  trans-78.1141.7169.500000110.7N139 I167 R168 Q169 I229N139-A152 HydrophobicContact CB-CB 3.53Å; A152-I167 HydrophobicContact CB-CG2 4.07Å; A152-R168 CarbonylContact C-O 3.6Å; A152-R168 VanDerWaalsContact CA-O 3.23Å; A152-R168 WeakPolarHBondContact CA-O 3.43Å; A152-Q169 HydrophobicContact CB-CB 4.14Å; A152-I229 HydrophobicContact CB-CD1 3.83Å; A152-I229 HydrophobicContact CB-CG1 3.94Å
153E95Very high90.8Very high140 Ų14069.9 Ų69.965%0.65439%0.394SS*.EExtended strand (participates in β ladder)trans-127.9136.4176.7-66.7-179.1177.500109.7I167 R168E153-I167 CarbonylContact O-C 3.49Å; E153-I167 WeakPolarHBondContact O-CA 3.37Å; E153-R168 PolarHBondContact N-O 3.48Å; E153-R168 PolarHBondContact O-N 2.99Å
154S95.3Very high91.5Very high33 Ų3366.3 Ų66.323%0.23138%0.375CS..EExtended strand (participates in β ladder)trans-103.9143.8178.659.10000112.6S166 P194S154-S166 CarbonylContact C-O 3.58Å; S154-S166 WeakPolarHBondContact CA-O 3.42Å; S154-P194 WeakPolarHBondContact CB-O 3.13Å; S154-P194 PolarHBondContact OG-O 3.17Å
155Q95Very high92.2Very high83 Ų8357.4 Ų57.439%0.38834%0.337SS..EExtended strand (participates in β ladder)trans-137.2137.2178.5159.5179.12.400110.6I157 V165 S166Q155-I157 HydrophobicContact CG-CG2 4.1Å; Q155-V165 CarbonylContact O-C 3.51Å; Q155-V165 WeakPolarHBondContact O-CA 3.41Å; Q155-V165 WeakPolarHBondContact O-CG1 3.4Å; Q155-S166 PolarHBondContact N-O 3Å; Q155-S166 PolarHBondContact O-N 3.11Å
156L96.5Very high92.7Very high61 Ų6149.5 Ų49.532%0.31930%0.302SS..EExtended strand (participates in β ladder)trans-69.4133.5165.8-60.4-176.1000110V165 R192 P194L156-V165 HydrophobicContact CD2-CG2 3.88Å; L156-R192 HydrophobicContact CD2-CB 3.78Å; L156-P194 HydrophobicContact CD2-CB 3.88Å; L156-P194 HydrophobicContact CD2-CG 4.37Å; L156-P194 HydrophobicContact CG-CB 4.35Å
157I95.4Very high93.4Very high7 Ų746.3 Ų46.34%0.03629%0.288CS..EExtended strand (participates in β ladder)trans-118.5148.3178.963.2167.9000111.3Q155 G164 N179 R192 P283Q155-I157 HydrophobicContact CG-CG2 4.1Å; I157-G164 WeakPolarHBondContact CG1-O 3.05Å; I157-G164 PolarHBondContact N-O 3.29Å; I157-G164 PolarHBondContact O-N 2.68Å; I157-N179 HydrophobicContact CD1-CB 4.44Å; I157-R192 PolarHBondContact O-NH1 3.4Å; I157-P283 HydrophobicContact CB-CB 4.46Å; I157-P283 HydrophobicContact CB-CG 4.31Å; I157-P283 HydrophobicContact CD1-CB 4.07Å; I157-P283 HydrophobicContact CD1-CG 4.07Å; I157-P283 HydrophobicContact CG2-CG 3.97Å
158S95.8Very high94Very high83 Ų8350.3 Ų50.358%0.5830%0.302SS*.EExtended strand (participates in β ladder)trans-149.6106.9172.8-60.60000107.5A162 R192S158-A162 CarbonylContact C-O 3.6Å; S158-A162 WeakPolarHBondContact CA-O 3.26Å; S158-R192 PolarHBondContact OG-NH1 2.81Å
159E96.6Very high94.4Very high78 Ų7848.2 Ų48.236%0.36428%0.282SS..EExtended strand (participates in β ladder)trans-133.6109-174.5-176.364.4-149.400108.4N161 A162 P283 R284 E287E159-N161 PolarHBondContact O-N 3.46Å; E159-N161 VanDerWaalsContact O-N 3.1Å; E159-A162 PolarHBondContact N-O 3.31Å; E159-A162 WeakPolarHBondContact O-CB 3.38Å; E159-A162 PolarHBondContact O-N 2.97Å; E159-P283 HydrophobicContact CB-CB 3.94Å; E159-P283 HydrophobicContact CG-CB 4.28Å; E159-R284 HydrophobicContact CG-CG 4.19Å; E159-E287 HydrophobicContact CG-CB 4.02Å; E159-E287 WeakPolarHBondContact O-CG 3.22Å
160G95.3Very high94.8Very high64 Ų6449.5 Ų49.566%0.6629%0.286SS*.THydrogen-bonded Turntrans50.7-118.7-173.600000112.4
161N94.6Very high95.1Very high81 Ų8148.9 Ų48.943%0.43328%0.277SS..THydrogen-bonded Turntrans-89.77.9178-67.3-29.1000114E159 R183 V184E159-N161 PolarHBondContact O-N 3.46Å; E159-N161 VanDerWaalsContact O-N 3.1Å; N161-R183 HydrophobicContact CB-CG 4.49Å; N161-R183 CarbonylContact O-C 3.56Å; N161-R183 WeakPolarHBondContact O-CA 3.09Å; N161-V184 PolarHBondContact O-N 3.27Å
162A97.7Very high95.2Very high1 Ų148.9 Ų48.91%0.00827%0.267CS..EExtended strand (participates in β ladder)trans-102.4120.9177.300000110.6S158 E159 A181 C286 E287 L290S158-A162 CarbonylContact C-O 3.6Å; S158-A162 WeakPolarHBondContact CA-O 3.26Å; E159-A162 PolarHBondContact N-O 3.31Å; E159-A162 WeakPolarHBondContact O-CB 3.38Å; E159-A162 PolarHBondContact O-N 2.97Å; A162-A181 HydrophobicContact CB-CB 3.93Å; A162-C286 HydrophobicContact CB-CB 4.19Å; A162-E287 HydrophobicContact CB-CB 4.19Å; A162-L290 HydrophobicContact CB-CD1 3.9Å
163K97.9Very high95.1Very high54 Ų5454.1 Ų54.124%0.23529%0.288CS..EExtended strand (participates in β ladder)trans-122.1123.9174.6-170.6-179.2176.7-157.90109.7A181 C182 V184 I190 E217K163-A181 WeakPolarHBondContact O-CA 3.46Å; K163-C182 PolarHBondContact N-O 3.46Å; K163-C182 PolarHBondContact O-N 3.48Å; K163-V184 HydrophobicContact CB-CG2 3.6Å; K163-I190 HydrophobicContact CB-CD1 4.23Å; K163-I190 HydrophobicContact CB-CG2 4.33Å; K163-I190 HydrophobicContact CD-CB 4.15Å; K163-I190 HydrophobicContact CD-CG2 4.1Å; K163-I190 HydrophobicContact CG-CG2 4.24Å; K163-I190 PolarHBondContact NZ-O 2.8Å; K163-E217 IonicContact NZ-OE1 3.71Å; K163-E217 PolarHBondContact NZ-OE1 2.95Å
164G97.4Very high95Very high0 Ų048.5 Ų48.50%026%0.263CS..EExtended strand (participates in β ladder)trans-168.3-161.9-163.600000116.6I157 L180 R192I157-G164 WeakPolarHBondContact CG1-O 3.05Å; I157-G164 PolarHBondContact N-O 3.29Å; I157-G164 PolarHBondContact O-N 2.68Å; G164-L180 CarbonylContact C-O 3.48Å; G164-L180 WeakPolarHBondContact CA-O 3.18Å; G164-R192 WeakPolarHBondContact O-CD 3.19Å
165V97.6Very high94.9Very high0 Ų049.2 Ų49.20%027%0.266CS..EExtended strand (participates in β ladder)trans-132.4140.6175-168.10000110Q155 L156 L180 R192 V231 V233Q155-V165 CarbonylContact O-C 3.51Å; Q155-V165 WeakPolarHBondContact O-CA 3.41Å; Q155-V165 WeakPolarHBondContact O-CG1 3.4Å; L156-V165 HydrophobicContact CD2-CG2 3.88Å; V165-L180 PolarHBondContact N-O 3.19Å; V165-L180 PolarHBondContact O-N 3.01Å; V165-R192 HydrophobicContact CG2-CB 3.81Å; V165-R192 HydrophobicContact CG2-CG 4.2Å; V165-V231 HydrophobicContact CB-CB 4.09Å; V165-V231 HydrophobicContact CB-CG2 4.21Å; V165-V231 HydrophobicContact CG1-CB 3.75Å; V165-V231 HydrophobicContact CG1-CG1 3.76Å; V165-V231 HydrophobicContact CG1-CG2 4.24Å; V165-V233 HydrophobicContact CG2-CG2 4.1Å
166S97.3Very high95Very high3 Ų345.5 Ų45.52%0.02125%0.249CC..EExtended strand (participates in β ladder)trans-110.9138.4172.3-174.30000110.1S154 Q155 Y178 N179S154-S166 CarbonylContact C-O 3.58Å; S154-S166 WeakPolarHBondContact CA-O 3.42Å; Q155-S166 PolarHBondContact N-O 3Å; Q155-S166 PolarHBondContact O-N 3.11Å; S166-Y178 CarbonylContact C-O 3.57Å; S166-Y178 VanDerWaalsContact CA-O 3.31Å; S166-Y178 WeakPolarHBondContact CA-O 3.31Å; S166-N179 WeakPolarHBondContact CB-OD1 3.32Å; S166-N179 PolarHBondContact OG-OD1 3.08Å
167I96.1Very high94.9Very high0 Ų042.7 Ų42.70%024%0.235CC..EExtended strand (participates in β ladder)trans-106.9111.7167.4-59.8176.3000106.6N139 A152 E153 S177 Y178 I229 V231N139-I167 HydrophobicContact CB-CG2 3.6Å; A152-I167 HydrophobicContact CB-CG2 4.07Å; E153-I167 CarbonylContact O-C 3.49Å; E153-I167 WeakPolarHBondContact O-CA 3.37Å; I167-S177 CarbonylContact O-C 3.59Å; I167-S177 WeakPolarHBondContact O-CA 3.28Å; I167-Y178 PolarHBondContact N-O 3.29Å; I167-Y178 PolarHBondContact O-N 3.33Å; I167-I229 HydrophobicContact CG2-CD1 4.29Å; I167-I229 HydrophobicContact CG2-CG1 4.47Å; I167-V231 HydrophobicContact CD1-CB 4.4Å; I167-V231 HydrophobicContact CD1-CG1 3.75Å; I167-V231 HydrophobicContact CD1-CG2 3.8Å; I167-V231 HydrophobicContact CG1-CB 4.35Å; I167-V231 HydrophobicContact CG1-CG1 3.44Å; I167-V231 VanDerWaalsContact CG1-CG1 3.44Å; I167-V231 HydrophobicContact CG1-CG2 3.93Å
168R96.2Very high95Very high93 Ų9342.6 Ų42.635%0.35123%0.234SC..EExtended strand (participates in β ladder)trans-91.1135.1171.3-62.9175.3-176.3-121.2-6.7109.3A152 E153 D280A152-R168 CarbonylContact C-O 3.6Å; A152-R168 VanDerWaalsContact CA-O 3.23Å; A152-R168 WeakPolarHBondContact CA-O 3.43Å; E153-R168 PolarHBondContact N-O 3.48Å; E153-R168 PolarHBondContact O-N 2.99Å; R168-D280 IonicContact CZ-OD1 2.72Å; R168-D280 IonicContact NH1-OD1 3.72Å; R168-D280 PolarHBondContact NH1-OD1 3.22Å; R168-D280 IonicContact NH1-OD2 3.99Å; R168-D280 IonicContact NH2-OD1 3.98Å; R168-D280 PolarHBondContact NH2-OD1 3.27Å
169Q94.2Very high95.1Very high17 Ų1738.7 Ų38.78%0.07921%0.207CC..EExtended strand (participates in β ladder)trans-156.7178.3-17859.7178.8-7.200111.5A152 C176A152-Q169 HydrophobicContact CB-CB 4.14Å; Q169-C176 CarbonylContact C-O 2.89Å; Q169-C176 HydrophobicContact CG-CB 4.14Å; Q169-C176 WeakPolarHBondContact CG-O 3.16Å; Q169-C176 PolarHBondContact N-O 3.08Å; Q169-C176 PolarHBondContact O-N 3Å
170K92.9Very high95.1Very high137 Ų13735 Ų3560%0.59619%0.189SC*.EExtended strand (participates in β ladder)trans-118.7137.5166.5-67-177.6178.3-176.50109.8E173 M174K170-E173 IonicContact NZ-OE2 3Å; K170-M174 CarbonylContact C-O 3.49Å; K170-M174 VanDerWaalsContact CA-O 3.25Å; K170-M174 WeakPolarHBondContact CA-O 3.35Å
171I90.4Very high95.2Very high10 Ų1031.9 Ų31.95%0.05116%0.158CC..EExtended strand (participates in β ladder)trans-120.5114.8171.3-63.5171.8000106.3M3 T141 E173 M174 C176 M255M3-I171 HydrophobicContact SD-CG2 4.39Å; T141-I171 HydrophobicContact CG2-CD1 3.85Å; T141-I171 HydrophobicContact CG2-CG1 4.05Å; T141-I171 HydrophobicContact CG2-CG2 3.72Å; I171-E173 VanDerWaalsContact C-N 3.31Å; I171-E173 PolarHBondContact O-N 3.06Å; I171-M174 PolarHBondContact N-O 2.77Å; I171-M174 WeakPolarHBondContact O-CB 3.36Å; I171-M174 PolarHBondContact O-N 3.29Å; I171-C176 HydrophobicContact CD1-CB 3.96Å; I171-C176 HydrophobicContact CG1-CB 4.2Å; I171-M255 HydrophobicContact CB-CE 3.99Å; I171-M255 HydrophobicContact CG2-CE 4.17Å
172S88.8Confident95.4Very high67 Ų6728 Ų2847%0.46914%0.137SC..THydrogen-bonded Turntrans52.348.7-174.7-550000112.3M174S172-M174 PolarHBondContact O-N 3.16Å
173E90.3Very high95.4Very high124 Ų12431.1 Ų31.158%0.57915%0.149SC*.THydrogen-bonded Turntrans65.2-7.6-174.4-57.5-58.3146.500116.7K170 I171K170-E173 IonicContact NZ-OE2 3Å; I171-E173 VanDerWaalsContact C-N 3.31Å; I171-E173 PolarHBondContact O-N 3.06Å
174M93.3Very high95.4Very high23 Ų2331.4 Ų31.411%0.11316%0.155CC..EExtended strand (participates in β ladder)trans-84.7137-179.9-62.8173.7-79.700110.7K170 I171 S172 C176 M255 K257 I258 Q259K170-M174 CarbonylContact C-O 3.49Å; K170-M174 VanDerWaalsContact CA-O 3.25Å; K170-M174 WeakPolarHBondContact CA-O 3.35Å; I171-M174 PolarHBondContact N-O 2.77Å; I171-M174 WeakPolarHBondContact O-CB 3.36Å; I171-M174 PolarHBondContact O-N 3.29Å; S172-M174 PolarHBondContact O-N 3.16Å; M174-C176 PolarHBondContact O-N 3.44Å; M174-M255 HydrophobicContact CB-CE 3.82Å; M174-M255 HydrophobicContact CE-CE 3.57Å; M174-M255 HydrophobicContact SD-CE 4.03Å; M174-K257 VanDerWaalsContact SD-O 3.34Å; M174-I258 VanDerWaalsContact SD-CA 3.55Å; M174-Q259 HydrophobicContact SD-CB 4.35Å; M174-Q259 PolarHBondContact SD-N 3.47Å
175P94.5Very high95.3Very high47 Ų4733.5 Ų33.531%0.30517%0.166SC..EExtended strand (participates in β ladder)trans-62.9132.8176.627.5-34000110.2
176C95.4Very high95.1Very high5 Ų539.9 Ų39.93%0.03421%0.207CC..EExtended strand (participates in β ladder)trans-141.3136.9174.9177.60000109.5Q169 I171 M174 D254 M255Q169-C176 CarbonylContact C-O 2.89Å; Q169-C176 HydrophobicContact CG-CB 4.14Å; Q169-C176 WeakPolarHBondContact CG-O 3.16Å; Q169-C176 PolarHBondContact N-O 3.08Å; Q169-C176 PolarHBondContact O-N 3Å; I171-C176 HydrophobicContact CD1-CB 3.96Å; I171-C176 HydrophobicContact CG1-CB 4.2Å; M174-C176 PolarHBondContact O-N 3.44Å; C176-D254 CarbonylContact C-O 3.6Å; C176-D254 VanDerWaalsContact CA-O 3.26Å; C176-D254 WeakPolarHBondContact CA-O 3.42Å; C176-M255 HydrophobicContact CB-CB 4.2Å; C176-M255 HydrophobicContact CB-CG 4.05Å; C176-M255 HydrophobicContact CB-SD 4.44Å
177S96.2Very high94.9Very high3 Ų344.2 Ų44.22%0.02123%0.227CC..EExtended strand (participates in β ladder)trans-124.7136.7165.7680000112.5I167 N179 W253 D254I167-S177 CarbonylContact O-C 3.59Å; I167-S177 WeakPolarHBondContact O-CA 3.28Å; S177-N179 PolarHBondContact O-ND2 2.84Å; S177-N179 PolarHBondContact OG-ND2 3.2Å; S177-W253 CarbonylContact O-C 3.47Å; S177-W253 VanDerWaalsContact O-CA 3.28Å; S177-W253 WeakPolarHBondContact O-CA 3.47Å; S177-D254 PolarHBondContact N-O 3.48Å; S177-D254 PolarHBondContact O-N 3.13Å
178Y96.5Very high94.9Very high5 Ų544.9 Ų44.92%0.0223%0.231CC..EExtended strand (participates in β ladder)trans-100.8128.9167.4-62.3-32.8000109.6Q7 F137 G140 S166 I167 W253Q7-Y178 PolarHBondContact OE1-OH 2.87Å; F137-Y178 AromaticContact CD1-CD2 3.94Å; F137-Y178 HydrophobicContact CD1-CD2 3.94Å; F137-Y178 HydrophobicContact CD1-CG 4.32Å; F137-Y178 AromaticContact CE1-CD2 3.51Å; F137-Y178 HydrophobicContact CE1-CD2 3.51Å; F137-Y178 AromaticContact CE1-CE2 3.87Å; F137-Y178 HydrophobicContact CE1-CE2 3.87Å; F137-Y178 AromaticContact CE1-CG 3.92Å; F137-Y178 HydrophobicContact CE1-CG 3.92Å; G140-Y178 WeakPolarHBondContact O-CE2 3.41Å; G140-Y178 PolarHBondContact O-OH 2.75Å; G140-Y178 VanDerWaalsContact O-OH 3.07Å; S166-Y178 CarbonylContact C-O 3.57Å; S166-Y178 VanDerWaalsContact CA-O 3.31Å; S166-Y178 WeakPolarHBondContact CA-O 3.31Å; I167-Y178 PolarHBondContact N-O 3.29Å; I167-Y178 PolarHBondContact O-N 3.33Å; Y178-W253 HydrophobicContact CD1-CB 3.65Å; Y178-W253 HydrophobicContact CE1-CB 3.79Å
179N97.7Very high94.9Very high0 Ų042.8 Ų42.80%023%0.23CC..EExtended strand (participates in β ladder)trans-128.9116.3-169.3-57.3-93.4000108.5I157 S166 S177 L251 A252 G282 C286I157-N179 HydrophobicContact CD1-CB 4.44Å; S166-N179 WeakPolarHBondContact CB-OD1 3.32Å; S166-N179 PolarHBondContact OG-OD1 3.08Å; S177-N179 PolarHBondContact O-ND2 2.84Å; S177-N179 PolarHBondContact OG-ND2 3.2Å; N179-L251 CarbonylContact O-C 3.4Å; N179-L251 WeakPolarHBondContact O-CA 3.24Å; N179-A252 HydrophobicContact CB-CB 4.44Å; N179-A252 PolarHBondContact N-O 2.88Å; N179-A252 PolarHBondContact ND2-O 3.22Å; N179-A252 PolarHBondContact O-N 2.81Å; N179-G282 VanDerWaalsContact ND2-CA 3.35Å; N179-G282 WeakPolarHBondContact ND2-CA 3.33Å; N179-C286 VanDerWaalsContact CB-SG 3.56Å
180L96.6Very high95Very high0 Ų042.6 Ų42.60%023%0.229CC..EExtended strand (participates in β ladder)trans-109.4130.7177.6-74.984.1000108.2F135 F137 G164 V165 V231 V233 V250 L251F135-L180 HydrophobicContact CB-CD2 4.26Å; F135-L180 HydrophobicContact CD1-CD2 3.69Å; F135-L180 HydrophobicContact CD1-CG 4.3Å; F135-L180 HydrophobicContact CD2-CD2 3.8Å; F135-L180 HydrophobicContact CE1-CD2 3.95Å; F135-L180 HydrophobicContact CE1-CG 4.28Å; F135-L180 HydrophobicContact CE2-CD2 4.02Å; F135-L180 HydrophobicContact CG-CD2 3.62Å; F135-L180 HydrophobicContact CZ-CD2 4.1Å; F137-L180 HydrophobicContact CB-CD1 3.57Å; F137-L180 HydrophobicContact CB-CD2 3.56Å; F137-L180 HydrophobicContact CB-CG 4.17Å; F137-L180 HydrophobicContact CD1-CD1 4.27Å; F137-L180 HydrophobicContact CG-CD1 4.03Å; F137-L180 HydrophobicContact CG-CD2 4.41Å; G164-L180 CarbonylContact C-O 3.48Å; G164-L180 WeakPolarHBondContact CA-O 3.18Å; V165-L180 PolarHBondContact N-O 3.19Å; V165-L180 PolarHBondContact O-N 3.01Å; L180-V231 HydrophobicContact CD1-CG2 4.08Å; L180-V233 HydrophobicContact CB-CG2 3.97Å; L180-V250 WeakPolarHBondContact CA-O 3.44Å; L180-L251 HydrophobicContact CD1-CD1 3.7Å; L180-L251 HydrophobicContact CG-CD1 3.94Å
181A98.3Very high95.2Very high0 Ų036.8 Ų36.80%021%0.205CC..EExtended strand (participates in β ladder)trans-143.8155.6174.800000112.3A162 K163 F249 V250 C286A162-A181 HydrophobicContact CB-CB 3.93Å; K163-A181 WeakPolarHBondContact O-CA 3.46Å; A181-F249 CarbonylContact O-C 3.13Å; A181-F249 VanDerWaalsContact O-CA 3.24Å; A181-F249 WeakPolarHBondContact O-CA 3.47Å; A181-V250 HydrophobicContact CB-CG1 3.81Å; A181-V250 PolarHBondContact N-O 3.5Å; A181-V250 VanDerWaalsContact N-O 3.08Å; A181-V250 PolarHBondContact O-N 2.73Å; A181-C286 HydrophobicContact CB-CB 4.1Å
182C98.3Very high95.5Very high0 Ų037 Ų370%021%0.206CC..EExtended strand (participates in β ladder)trans-111.7145.4168.2-178.20000108.6K163 I190 V233 E248 F249K163-C182 PolarHBondContact N-O 3.46Å; K163-C182 PolarHBondContact O-N 3.48Å; C182-I190 HydrophobicContact CB-CD1 4.03Å; C182-I190 HydrophobicContact CB-CG1 4.31Å; C182-I190 HydrophobicContact CB-CG2 4.2Å; C182-V233 HydrophobicContact CB-CG1 3.75Å; C182-E248 CarbonylContact C-O 3.58Å; C182-E248 WeakPolarHBondContact CA-O 3.2Å; C182-F249 HydrophobicContact CB-CD1 3.89Å; C182-F249 HydrophobicContact CB-CE1 3.78Å; C182-F249 HydrophobicContact CB-CZ 4.45Å
183R97.8Very high95.8Very high65 Ų6533.9 Ų33.925%0.24518%0.183CC..EExtended strand (participates in β ladder)trans-69132.4174.6-173.2173.1179.4172.7-0.2111.5N161 L185 I190 E248 L290N161-R183 HydrophobicContact CB-CG 4.49Å; N161-R183 CarbonylContact O-C 3.56Å; N161-R183 WeakPolarHBondContact O-CA 3.09Å; R183-L185 HydrophobicContact CG-CG 4.34Å; R183-L185 PolarHBondContact O-N 2.87Å; R183-I190 WeakPolarHBondContact O-CD1 3.39Å; R183-E248 HydrophobicContact CB-CB 4.04Å; R183-E248 WeakPolarHBondContact CD-OE2 3.19Å; R183-E248 IonicContact CZ-OE2 3.91Å; R183-E248 PolarHBondContact N-O 2.9Å; R183-E248 IonicContact NE-OE2 3.31Å; R183-E248 IonicContact NH1-OE1 2.8Å; R183-E248 PolarHBondContact NH1-OE1 2.63Å; R183-E248 IonicContact NH1-OE2 2.88Å; R183-E248 PolarHBondContact NH1-OE2 3.2Å; R183-L290 HydrophobicContact CB-CD1 4.14Å; R183-L290 HydrophobicContact CB-CD2 4.28Å
184V97.3Very high96Very high60 Ų6028.5 Ų28.536%0.36416%0.16SC..  trans-77.4116.3173.8-178.70000109.5N161 K163 I190N161-V184 PolarHBondContact O-N 3.27Å; K163-V184 HydrophobicContact CB-CG2 3.6Å; V184-I190 HydrophobicContact CG2-CD1 4.04Å
185L95.3Very high96.1Very high44 Ų4430 Ų3023%0.2317%0.166CC..  trans-133149.8168.3-63.9175000109.4R183 E187 I188R183-L185 HydrophobicContact CG-CG 4.34Å; R183-L185 PolarHBondContact O-N 2.87Å; L185-E187 WeakPolarHBondContact CB-OE1 3.5Å; L185-E187 PolarHBondContact O-N 3.25Å; L185-E187 VanDerWaalsContact O-N 3.15Å; L185-I188 HydrophobicContact CB-CD1 3.95Å; L185-I188 HydrophobicContact CB-CG1 4.17Å; L185-I188 HydrophobicContact CD1-CD1 3.81Å; L185-I188 HydrophobicContact CG-CD1 4.17Å; L185-I188 PolarHBondContact O-N 3.18Å; L185-I188 VanDerWaalsContact O-N 3.1Å
186P93.5Very high96.1Very high134 Ų13428 Ų2887%0.8715%0.153SC*.THydrogen-bonded Turntrans-54.8-32.9-176.6-27.334.9000115.1
187E94.3Very high95.9Very high94 Ų9427.9 Ų27.944%0.43915%0.152SC..THydrogen-bonded Turntrans-87.7-7.2-176.761.3-80-176.400114.3L185 H245L185-E187 WeakPolarHBondContact CB-OE1 3.5Å; L185-E187 PolarHBondContact O-N 3.25Å; L185-E187 VanDerWaalsContact O-N 3.15Å; E187-H245 WeakPolarHBondContact CG-NE2 3.17Å; E187-H245 IonicContact OE1-CE1 3.19Å; E187-H245 IonicContact OE1-NE2 3.54Å; E187-H245 PolarHBondContact OE1-NE2 3.42Å; E187-H245 VanDerWaalsContact OE1-NE2 3.14Å
188I95.7Very high95.5Very high15 Ų1528.4 Ų28.48%0.07716%0.155CC..  trans-105.4123.9-179.4-58.1173.5000110L185 I190 Q236 L247L185-I188 HydrophobicContact CB-CD1 3.95Å; L185-I188 HydrophobicContact CB-CG1 4.17Å; L185-I188 HydrophobicContact CD1-CD1 3.81Å; L185-I188 HydrophobicContact CG-CD1 4.17Å; L185-I188 PolarHBondContact O-N 3.18Å; L185-I188 VanDerWaalsContact O-N 3.1Å; I188-I190 HydrophobicContact CG2-CG1 3.83Å; I188-Q236 WeakPolarHBondContact CA-O 2.96Å; I188-L247 HydrophobicContact CB-CD2 4.35Å; I188-L247 HydrophobicContact CD1-CD2 3.54Å; I188-L247 HydrophobicContact CG1-CD2 3.71Å; I188-L247 HydrophobicContact CG2-CD2 3.68Å
189S95.5Very high95Very high48 Ų4829.4 Ų29.434%0.33617%0.165SC..EExtended strand (participates in β ladder)trans-86.6123.7167.8-168.80000110.2Q214 G235 Q236S189-Q214 PolarHBondContact OG-NE2 3.18Å; S189-G235 CarbonylContact O-C 3.58Å; S189-G235 WeakPolarHBondContact O-CA 3.2Å; S189-Q236 PolarHBondContact N-O 3.05Å; S189-Q236 PolarHBondContact O-N 3.07Å
190I97.3Very high94.6Very high13 Ų1329.5 Ų29.57%0.06717%0.166CC..EExtended strand (participates in β ladder)trans-116.4120.8-178.5-55.4170.7000110.3K163 C182 R183 V184 I188 V233 C234K163-I190 HydrophobicContact CB-CD1 4.23Å; K163-I190 HydrophobicContact CB-CG2 4.33Å; K163-I190 HydrophobicContact CD-CB 4.15Å; K163-I190 HydrophobicContact CD-CG2 4.1Å; K163-I190 HydrophobicContact CG-CG2 4.24Å; K163-I190 PolarHBondContact NZ-O 2.8Å; C182-I190 HydrophobicContact CB-CD1 4.03Å; C182-I190 HydrophobicContact CB-CG1 4.31Å; C182-I190 HydrophobicContact CB-CG2 4.2Å; R183-I190 WeakPolarHBondContact O-CD1 3.39Å; V184-I190 HydrophobicContact CG2-CD1 4.04Å; I188-I190 HydrophobicContact CG2-CG1 3.83Å; I190-V233 HydrophobicContact CG2-CG1 4.18Å; I190-C234 WeakPolarHBondContact CA-O 3.43Å
191T96.9Very high94.2Very high15 Ų1532.7 Ų32.79%0.09218%0.183CC..EExtended strand (participates in β ladder)trans-123.3155.8174.355.50000110.6Q214 L215 C234T191-Q214 HydrophobicContact CG2-CB 4.06Å; T191-Q214 HydrophobicContact CG2-CG 4.38Å; T191-L215 WeakPolarHBondContact CB-O 3.28Å; T191-L215 PolarHBondContact OG1-N 2.71Å; T191-C234 PolarHBondContact N-O 2.74Å; T191-C234 PolarHBondContact O-N 3.24Å
192R96.5Very high93.6Very high16 Ų1632.7 Ų32.76%0.0618%0.183CC..EExtended strand (participates in β ladder)trans-140.9137.7-168.6-63.4162.2-69.7178.76.5110.3L156 I157 S158 G164 V165 E217 A232 V233L156-R192 HydrophobicContact CD2-CB 3.78Å; I157-R192 PolarHBondContact O-NH1 3.4Å; S158-R192 PolarHBondContact OG-NH1 2.81Å; G164-R192 WeakPolarHBondContact O-CD 3.19Å; V165-R192 HydrophobicContact CG2-CB 3.81Å; V165-R192 HydrophobicContact CG2-CG 4.2Å; R192-E217 IonicContact CZ-OE1 3.41Å; R192-E217 VanDerWaalsContact CZ-OE1 3.31Å; R192-E217 IonicContact CZ-OE2 3.74Å; R192-E217 IonicContact NE-OE1 3.95Å; R192-E217 PolarHBondContact NE-OE1 3.5Å; R192-E217 IonicContact NH2-OE1 2.65Å; R192-E217 PolarHBondContact NH2-OE1 2.99Å; R192-E217 IonicContact NH2-OE2 3.22Å; R192-E217 PolarHBondContact NH2-OE2 3.2Å; R192-E217 VanDerWaalsContact O-CA 3.29Å; R192-E217 WeakPolarHBondContact O-CA 3.42Å; R192-A232 CarbonylContact C-O 3.45Å; R192-A232 WeakPolarHBondContact CA-O 3.47Å; R192-V233 HydrophobicContact CG-CG1 4.46Å; R192-V233 HydrophobicContact CG-CG2 4.47Å
193C95.3Very high93.1Very high0 Ų037.2 Ų37.20%020%0.204CC..EExtended strand (participates in β ladder)trans-103.4110.1167.6-178.90000108Q195 L205 L215 A232C193-Q195 VanDerWaalsContact C-N 3.27Å; C193-Q195 PolarHBondContact O-N 3.22Å; C193-Q195 VanDerWaalsContact SG-C 3.59Å; C193-Q195 PolarHBondContact SG-O 3.28Å; C193-L205 HydrophobicContact CB-CD1 3.58Å; C193-L205 VanDerWaalsContact SG-CD1 3.56Å; C193-L215 HydrophobicContact CB-CD1 4.06Å; C193-A232 HydrophobicContact CB-CB 3.86Å; C193-A232 PolarHBondContact N-O 3.11Å; C193-A232 PolarHBondContact O-N 3.45Å
194P93.9Very high92.7Very high12 Ų1236.5 Ų36.58%0.07820%0.203CC..EExtended strand (participates in β ladder)trans-65.9-30.6178.926.6-33.4000111.9S154 L156 P219 V231S154-P194 WeakPolarHBondContact CB-O 3.13Å; S154-P194 PolarHBondContact OG-O 3.17Å; L156-P194 HydrophobicContact CD2-CB 3.88Å; L156-P194 HydrophobicContact CD2-CG 4.37Å; L156-P194 HydrophobicContact CG-CB 4.35Å; P194-P219 HydrophobicContact CG-CG 3.9Å; P194-V231 VanDerWaalsContact O-CG1 3.26Å; P194-V231 WeakPolarHBondContact O-CG1 3.06Å
195Q95.3Very high92.3Very high54 Ų5433.7 Ų33.725%0.25219%0.186SC..EExtended strand (participates in β ladder)trans-156.8133.5-178.8-172.3-177.1-6300112.3C193 P219 T220 L224 I229 G230C193-Q195 VanDerWaalsContact C-N 3.27Å; C193-Q195 PolarHBondContact O-N 3.22Å; C193-Q195 VanDerWaalsContact SG-C 3.59Å; C193-Q195 PolarHBondContact SG-O 3.28Å; Q195-P219 HydrophobicContact CB-CB 4.15Å; Q195-T220 PolarHBondContact O-N 2.84Å; Q195-T220 PolarHBondContact O-OG1 3.22Å; Q195-L224 HydrophobicContact CG-CD2 4.49Å; Q195-I229 HydrophobicContact CG-CB 4.1Å; Q195-I229 HydrophobicContact CG-CG2 3.94Å; Q195-G230 CarbonylContact C-O 3.59Å; Q195-G230 VanDerWaalsContact CA-O 3.26Å; Q195-G230 WeakPolarHBondContact CA-O 3.47Å
196F93.6Very high91.8Very high5 Ų532.5 Ų32.52%0.02218%0.178CC..EExtended strand (participates in β ladder)trans-137.6165.3163.773.7-89000111.5L60 W63 T136 P198 L205 T220 G230L60-F196 HydrophobicContact CD2-CD2 4.46Å; L60-F196 HydrophobicContact CD2-CE2 3.94Å; W63-F196 AromaticContact CH2-CE2 3.94Å; W63-F196 HydrophobicContact CH2-CE2 3.94Å; W63-F196 AromaticContact CH2-CZ 3.9Å; W63-F196 HydrophobicContact CH2-CZ 3.9Å; W63-F196 HydrophobicContact CZ2-CE2 4.09Å; W63-F196 HydrophobicContact CZ2-CZ 4.36Å; T136-F196 HydrophobicContact CG2-CE1 4.33Å; T136-F196 HydrophobicContact CG2-CZ 4.48Å; F196-P198 HydrophobicContact CE2-CB 4.3Å; F196-P198 WeakPolarHBondContact O-CD 3.45Å; F196-L205 HydrophobicContact CD1-CD1 4.49Å; F196-L205 HydrophobicContact CD1-CD2 3.9Å; F196-L205 HydrophobicContact CD2-CD2 4.45Å; F196-L205 HydrophobicContact CE1-CD2 4.01Å; F196-L205 HydrophobicContact CG-CD2 4.13Å; F196-L205 HydrophobicContact CZ-CD2 4.36Å; F196-T220 WeakPolarHBondContact CA-OG1 3.37Å; F196-T220 HydrophobicContact CB-CG2 3.72Å; F196-G230 VanDerWaalsContact CD1-O 3.22Å; F196-G230 WeakPolarHBondContact CD1-O 3.32Å; F196-G230 VanDerWaalsContact CE1-CA 3.47Å; F196-G230 PolarHBondContact N-O 3.3Å; F196-G230 PolarHBondContact O-N 3.43Å
197D91.9Very high91.5Very high2 Ų227.8 Ų27.81%0.01115%0.151CC..  trans-83106.3176.8-179.714.8000111.4A199 G200 L224 K225D197-A199 PolarHBondContact O-N 2.71Å; D197-A199 WeakPolarHBondContact OD1-CB 3.36Å; D197-A199 PolarHBondContact OD1-N 2.89Å; D197-G200 WeakPolarHBondContact O-CA 3.15Å; D197-G200 PolarHBondContact O-N 3.01Å; D197-G200 PolarHBondContact OD1-N 3.4Å; D197-G200 WeakPolarHBondContact OD2-CA 2.88Å; D197-G200 PolarHBondContact OD2-N 2.75Å; D197-G200 VanDerWaalsContact OD2-N 3.08Å; D197-L224 HydrophobicContact CB-CD2 3.94Å; D197-K225 VanDerWaalsContact OD2-CG 3.31Å; D197-K225 WeakPolarHBondContact OD2-CG 3.45Å; D197-K225 PolarHBondContact OD2-N 3.47Å
198P87.8Confident91.2Very high15 Ų1524.6 Ų24.610%0.09714%0.136CC..THydrogen-bonded Turntrans-72.6-17.6179.332.7-35.1000112.6P59 K138 F196 G200 D228P59-P198 WeakPolarHBondContact CB-O 3.32Å; K138-P198 HydrophobicContact CB-CB 4.42Å; F196-P198 HydrophobicContact CE2-CB 4.3Å; F196-P198 WeakPolarHBondContact O-CD 3.45Å; P198-G200 VanDerWaalsContact C-N 3.32Å; P198-D228 WeakPolarHBondContact CD-O 3.41Å; P198-D228 HydrophobicContact CG-CB 3.64Å
199A87.1Confident90.8Very high26 Ų2624 Ų2422%0.21513%0.133CC..THydrogen-bonded Turntrans-90-2.2170.900000112.4D197 K225 T226D197-A199 PolarHBondContact O-N 2.71Å; D197-A199 WeakPolarHBondContact OD1-CB 3.36Å; D197-A199 PolarHBondContact OD1-N 2.89Å; A199-K225 HydrophobicContact CB-CB 4.2Å; A199-K225 WeakPolarHBondContact O-CD 3.43Å; A199-K225 PolarHBondContact O-NZ 3.07Å; A199-T226 HydrophobicContact CB-CG2 3.81Å
200G88.2Confident90Very high2 Ų226.9 Ų26.92%0.02114%0.139CC..SBendtrans-66.8-175.4-179.700000113.2P59 L60 D197 P198 G202P59-G200 CarbonylContact C-O 3.52Å; P59-G200 WeakPolarHBondContact CA-O 3.25Å; L60-G200 PolarHBondContact N-O 2.82Å; D197-G200 WeakPolarHBondContact O-CA 3.15Å; D197-G200 PolarHBondContact O-N 3.01Å; D197-G200 PolarHBondContact OD1-N 3.4Å; D197-G200 WeakPolarHBondContact OD2-CA 2.88Å; D197-G200 PolarHBondContact OD2-N 2.75Å; D197-G200 VanDerWaalsContact OD2-N 3.08Å; P198-G200 VanDerWaalsContact C-N 3.32Å; G200-G202 VanDerWaalsContact C-N 3.34Å
201N87.5Confident89.4Confident67 Ų6732.1 Ų32.136%0.35816%0.164SC..  trans-84.4-14.8161.363.8-7.6000111.5L60 S61 A62 E203L60-N201 CarbonylContact C-O 3.54Å; L60-N201 VanDerWaalsContact CA-O 3.25Å; L60-N201 WeakPolarHBondContact CA-O 3.38Å; S61-N201 PolarHBondContact N-O 3.27Å; A62-N201 WeakPolarHBondContact CB-O 3.33Å; A62-N201 PolarHBondContact N-O 3.11Å; N201-E203 VanDerWaalsContact C-N 3.3Å; N201-E203 PolarHBondContact O-N 3.35Å; N201-E203 PolarHBondContact OD1-N 2.58Å
202G86.9Confident88.7Confident0 Ų036.4 Ų36.40%018%0.182CC..  trans75.512.3177.200000114.6W63 G200 Q204 W206W63-G202 PolarHBondContact NE1-O 2.94Å; G200-G202 VanDerWaalsContact C-N 3.34Å; G202-Q204 PolarHBondContact O-N 3.24Å; G202-W206 VanDerWaalsContact O-CB 3.26Å; G202-W206 WeakPolarHBondContact O-CB 3.25Å; G202-W206 PolarHBondContact O-N 3.42Å
203E87.1Confident88Confident95 Ų9536 Ų3644%0.44418%0.183SC..Hα-helixtrans-63.4-42.5-172.3-17965.4-153.400111.8A62 N201 L205 W206 A207A62-E203 HydrophobicContact CB-CB 4.04Å; A62-E203 WeakPolarHBondContact CB-OE2 3.34Å; N201-E203 VanDerWaalsContact C-N 3.3Å; N201-E203 PolarHBondContact O-N 3.35Å; N201-E203 PolarHBondContact OD1-N 2.58Å; E203-L205 PolarHBondContact O-N 2.79Å; E203-W206 PolarHBondContact O-N 3.37Å; E203-A207 VanDerWaalsContact O-CB 3.29Å; E203-A207 WeakPolarHBondContact O-CB 3.38Å; E203-A207 PolarHBondContact O-N 3.09Å
204Q89.8Confident87.7Confident50 Ų5038.8 Ų38.823%0.23420%0.196CC..Hα-helixtrans-64.2-45.5-176.3-176.2168.5800112.4G202 W206 Q208 T220 S221 E222G202-Q204 PolarHBondContact O-N 3.24Å; Q204-W206 VanDerWaalsContact C-N 3.32Å; Q204-Q208 WeakPolarHBondContact O-CG 3.42Å; Q204-Q208 PolarHBondContact O-N 2.92Å; Q204-T220 HydrophobicContact CB-CG2 4.35Å; Q204-T220 HydrophobicContact CG-CG2 4.17Å; Q204-S221 VanDerWaalsContact CD-OG 3.27Å; Q204-S221 PolarHBondContact NE2-OG 2.97Å; Q204-S221 PolarHBondContact OE1-OG 3.44Å; Q204-E222 HydrophobicContact CB-CG 4.12Å; Q204-E222 WeakPolarHBondContact CB-OE1 3.42Å; Q204-E222 PolarHBondContact N-OE1 3.11Å
205L88.3Confident87.6Confident1 Ų138.7 Ų38.71%0.00520%0.195CC..Hα-helixtrans-63.4-42.9175.8-166.779000110.6W63 T136 C193 F196 E203 Q208 L209 L215 A232W63-L205 HydrophobicContact CH2-CD2 4.24Å; W63-L205 HydrophobicContact CZ2-CD2 3.64Å; T136-L205 HydrophobicContact CG2-CD2 4.33Å; C193-L205 HydrophobicContact CB-CD1 3.58Å; C193-L205 VanDerWaalsContact SG-CD1 3.56Å; F196-L205 HydrophobicContact CD1-CD1 4.49Å; F196-L205 HydrophobicContact CD1-CD2 3.9Å; F196-L205 HydrophobicContact CD2-CD2 4.45Å; F196-L205 HydrophobicContact CE1-CD2 4.01Å; F196-L205 HydrophobicContact CG-CD2 4.13Å; F196-L205 HydrophobicContact CZ-CD2 4.36Å; E203-L205 PolarHBondContact O-N 2.79Å; L205-Q208 PolarHBondContact O-N 3.04Å; L205-L209 PolarHBondContact O-N 3.44Å; L205-L215 HydrophobicContact CD1-CD2 3.55Å; L205-L215 HydrophobicContact CG-CD2 4.06Å; L205-A232 HydrophobicContact CD2-CB 4.44Å
206W85.8Confident87.2Confident18 Ų1838 Ų387%0.06820%0.196CC..Hα-helixtrans-64.4-44.5-178-163.6-120.4000112.8W15 I17 T26 A62 W63 G202 E203 Q204 Q208 L209 K210W15-W206 AromaticContact CD2-CZ3 3.96Å; W15-W206 HydrophobicContact CD2-CZ3 3.96Å; W15-W206 HydrophobicContact CE3-CE3 4.45Å; W15-W206 AromaticContact CE3-CH2 3.7Å; W15-W206 HydrophobicContact CE3-CH2 3.7Å; W15-W206 AromaticContact CE3-CZ3 3.38Å; W15-W206 HydrophobicContact CE3-CZ3 3.38Å; W15-W206 HydrophobicContact CG-CZ3 4.43Å; W15-W206 HydrophobicContact CZ3-CH2 4.23Å; W15-W206 HydrophobicContact CZ3-CZ3 4.06Å; I17-W206 HydrophobicContact CD1-CE3 4.41Å; I17-W206 HydrophobicContact CD1-CH2 3.91Å; I17-W206 HydrophobicContact CD1-CZ3 3.75Å; I17-W206 HydrophobicContact CG1-CH2 4.27Å; T26-W206 HydrophobicContact CG2-CH2 3.54Å; T26-W206 HydrophobicContact CG2-CZ2 4.16Å; T26-W206 HydrophobicContact CG2-CZ3 4.43Å; T26-W206 WeakPolarHBondContact OG1-CH2 3.29Å; T26-W206 WeakPolarHBondContact OG1-CZ2 3.45Å; A62-W206 PolarHBondContact O-NE1 3.06Å; W63-W206 HydrophobicContact CB-CE3 4.44Å; W63-W206 AromaticContact CD1-CD2 3.71Å; W63-W206 AromaticContact CD1-CE3 3.61Å; W63-W206 AromaticContact CD1-CG 3.75Å; W63-W206 HydrophobicContact CD2-CE3 4.44Å; W63-W206 HydrophobicContact CG-CD2 4.27Å; W63-W206 AromaticContact CG-CE3 3.95Å; W63-W206 HydrophobicContact CG-CE3 3.95Å; W63-W206 HydrophobicContact CG-CZ3 4.45Å; W63-W206 AromaticContact NE1-CE3 3.91Å; G202-W206 VanDerWaalsContact O-CB 3.26Å; G202-W206 WeakPolarHBondContact O-CB 3.25Å; G202-W206 PolarHBondContact O-N 3.42Å; E203-W206 PolarHBondContact O-N 3.37Å; Q204-W206 VanDerWaalsContact C-N 3.32Å; W206-Q208 VanDerWaalsContact C-N 3.34Å; W206-Q208 PolarHBondContact O-N 2.88Å; W206-L209 PolarHBondContact O-N 2.99Å; W206-K210 WeakPolarHBondContact O-CB 3.4Å; W206-K210 PolarHBondContact O-N 3.06Å
207A87.6Confident87Confident35 Ų3541 Ų4129%0.28921%0.21SC..Hα-helixtrans-61.4-41179.500000111.8E203 L209 K210 E211E203-A207 VanDerWaalsContact O-CB 3.29Å; E203-A207 WeakPolarHBondContact O-CB 3.38Å; E203-A207 PolarHBondContact O-N 3.09Å; A207-L209 PolarHBondContact O-N 3.22Å; A207-K210 PolarHBondContact O-N 2.84Å; A207-E211 VanDerWaalsContact O-CB 3.27Å; A207-E211 WeakPolarHBondContact O-CB 3.45Å; A207-E211 PolarHBondContact O-N 3.3Å
208Q88.3Confident86.9Confident27 Ų2747.2 Ų47.213%0.12624%0.238CC..Hα-helixtrans-59.2-48176.4-68.817518.200111.8Q204 L205 W206 E211 H212 Q214 S216Q204-Q208 WeakPolarHBondContact O-CG 3.42Å; Q204-Q208 PolarHBondContact O-N 2.92Å; L205-Q208 PolarHBondContact O-N 3.04Å; W206-Q208 VanDerWaalsContact C-N 3.34Å; W206-Q208 PolarHBondContact O-N 2.88Å; Q208-E211 PolarHBondContact O-N 2.76Å; Q208-H212 WeakPolarHBondContact O-CB 3.32Å; Q208-H212 PolarHBondContact O-N 3.45Å; Q208-Q214 CarbonylContact C-O 3.54Å; Q208-S216 PolarHBondContact NE2-OG 3.14Å; Q208-S216 PolarHBondContact OE1-OG 2.71Å; Q208-S216 VanDerWaalsContact OE1-OG 3.08Å
209L85.7Confident86.9Confident2 Ų250 Ų501%0.0126%0.256CS..Hα-helixtrans-67.7-38.4179.1-63.2167.2000111.7I17 T134 L205 W206 A207 G213 L215 C234I17-L209 HydrophobicContact CD1-CB 3.19Å; I17-L209 HydrophobicContact CD1-CD1 3.55Å; I17-L209 HydrophobicContact CD1-CD2 4.37Å; I17-L209 HydrophobicContact CD1-CG 3.87Å; T134-L209 HydrophobicContact CG2-CD1 4.33Å; T134-L209 WeakPolarHBondContact OG1-CD2 3.27Å; L205-L209 PolarHBondContact O-N 3.44Å; W206-L209 PolarHBondContact O-N 2.99Å; A207-L209 PolarHBondContact O-N 3.22Å; L209-G213 WeakPolarHBondContact O-CA 3.4Å; L209-G213 PolarHBondContact O-N 3.04Å; L209-L215 HydrophobicContact CD1-CD2 4.11Å; L209-L215 HydrophobicContact CD2-CD2 3.5Å; L209-L215 HydrophobicContact CD2-CG 3.87Å; L209-L215 HydrophobicContact CG-CD2 3.7Å; L209-C234 HydrophobicContact CD2-CB 4.44Å
210K80.3Confident86.9Confident109 Ų10949.1 Ų49.147%0.47425%0.248SC..Hα-helixtrans-64.3-42177-168.6-178.7-178.7177.30112.2F24 W206 A207F24-K210 HydrophobicContact CD1-CG 4.04Å; F24-K210 HydrophobicContact CD2-CG 4.33Å; F24-K210 HydrophobicContact CE1-CB 4.19Å; F24-K210 HydrophobicContact CE1-CG 3.46Å; F24-K210 VanDerWaalsContact CE1-CG 3.46Å; F24-K210 VanDerWaalsContact CE1-O 3.28Å; F24-K210 WeakPolarHBondContact CE1-O 3.42Å; F24-K210 HydrophobicContact CE2-CD 4.3Å; F24-K210 HydrophobicContact CE2-CG 3.78Å; F24-K210 HydrophobicContact CG-CG 4.45Å; F24-K210 HydrophobicContact CZ-CB 4.41Å; F24-K210 HydrophobicContact CZ-CD 4.27Å; F24-K210 HydrophobicContact CZ-CG 3.3Å; F24-K210 WeakPolarHBondContact CZ-O 3.31Å; W206-K210 WeakPolarHBondContact O-CB 3.4Å; W206-K210 PolarHBondContact O-N 3.06Å; A207-K210 PolarHBondContact O-N 2.84Å
211E83.3Confident86.8Confident124 Ų12454 Ų5458%0.57928%0.282SS*.Hα-helixtrans-81.6-38.4-175-165.5179.2163.400112.5R19 A207 Q208R19-E211 PolarHBondContact NH1-O 2.91Å; A207-E211 VanDerWaalsContact O-CB 3.27Å; A207-E211 WeakPolarHBondContact O-CB 3.45Å; A207-E211 PolarHBondContact O-N 3.3Å; Q208-E211 PolarHBondContact O-N 2.76Å
212H82.9Confident86.6Confident104 Ų10452.7 Ų52.748%0.48127%0.274SS..Hα-helixtrans-120.4-14.8-169.6-52.4-48.2000114.2Q208 Q214Q208-H212 WeakPolarHBondContact O-CB 3.32Å; Q208-H212 PolarHBondContact O-N 3.45Å; H212-Q214 HydrophobicContact CB-CB 4.41Å; H212-Q214 PolarHBondContact O-N 3.3Å
213G82.6Confident86.6Confident7 Ų756.8 Ų56.87%0.07231%0.308CS..SBendtrans6517.4-169.300000112.9S132 L209 Q236S132-G213 VanDerWaalsContact CB-O 3.31Å; S132-G213 WeakPolarHBondContact CB-O 3.18Å; S132-G213 PolarHBondContact OG-O 2.86Å; L209-G213 WeakPolarHBondContact O-CA 3.4Å; L209-G213 PolarHBondContact O-N 3.04Å; G213-Q236 PolarHBondContact O-NE2 3.23Å
214Q88.8Confident86.7Confident60 Ų6055.1 Ų55.128%0.2830%0.302SS..SBendtrans-145.7163-172.7-67.1-170.8-800110.1S189 T191 Q208 H212S189-Q214 PolarHBondContact OG-NE2 3.18Å; T191-Q214 HydrophobicContact CG2-CB 4.06Å; T191-Q214 HydrophobicContact CG2-CG 4.38Å; Q208-Q214 CarbonylContact C-O 3.54Å; H212-Q214 HydrophobicContact CB-CB 4.41Å; H212-Q214 PolarHBondContact O-N 3.3Å
215L91.8Very high86.6Confident10 Ų1058.9 Ų58.95%0.05232%0.318CS..  trans-101.7150.9177.8-60.6172.6000111.2T134 T191 C193 L205 L209 A232 C234T134-L215 HydrophobicContact CG2-CD1 4.08Å; T191-L215 WeakPolarHBondContact CB-O 3.28Å; T191-L215 PolarHBondContact OG1-N 2.71Å; C193-L215 HydrophobicContact CB-CD1 4.06Å; L205-L215 HydrophobicContact CD1-CD2 3.55Å; L205-L215 HydrophobicContact CG-CD2 4.06Å; L209-L215 HydrophobicContact CD1-CD2 4.11Å; L209-L215 HydrophobicContact CD2-CD2 3.5Å; L209-L215 HydrophobicContact CD2-CG 3.87Å; L209-L215 HydrophobicContact CG-CD2 3.7Å; L215-A232 HydrophobicContact CD1-CB 3.65Å; L215-C234 HydrophobicContact CD1-CB 3.69Å; L215-C234 HydrophobicContact CG-CB 3.83Å
216S86.4Confident86.5Confident38 Ų3861.8 Ų61.827%0.26634%0.335SS..  trans-74.4131163.863.10000109.8Q208 H218Q208-S216 PolarHBondContact NE2-OG 3.14Å; Q208-S216 PolarHBondContact OE1-OG 2.71Å; Q208-S216 VanDerWaalsContact OE1-OG 3.08Å; S216-H218 PolarHBondContact O-N 2.92Å
217E89.4Confident86.7Confident68 Ų6866.5 Ų66.532%0.31836%0.356SS..SBendtrans-72.536.7176.1-62.4-150.4146.500113.9K163 R192K163-E217 IonicContact NZ-OE1 3.71Å; K163-E217 PolarHBondContact NZ-OE1 2.95Å; R192-E217 IonicContact CZ-OE1 3.41Å; R192-E217 VanDerWaalsContact CZ-OE1 3.31Å; R192-E217 IonicContact CZ-OE2 3.74Å; R192-E217 IonicContact NE-OE1 3.95Å; R192-E217 PolarHBondContact NE-OE1 3.5Å; R192-E217 IonicContact NH2-OE1 2.65Å; R192-E217 PolarHBondContact NH2-OE1 2.99Å; R192-E217 IonicContact NH2-OE2 3.22Å; R192-E217 PolarHBondContact NH2-OE2 3.2Å; R192-E217 VanDerWaalsContact O-CA 3.29Å; R192-E217 WeakPolarHBondContact O-CA 3.42Å
218H88.7Confident86.8Confident133 Ų13366 Ų6662%0.61635%0.348SS*.SBendtrans-139153.5-178.8-60.7-56.5000110.4S216S216-H218 PolarHBondContact O-N 2.92Å
219P88.4Confident87Confident73 Ų7364.8 Ų64.847%0.47434%0.343SS..  trans-53.8146170.8-26.235.7000111.7P194 Q195P194-P219 HydrophobicContact CG-CG 3.9Å; Q195-P219 HydrophobicContact CB-CB 4.15Å
220T88.4Confident87.3Confident8 Ų864.7 Ų64.75%0.04934%0.343CS..  trans-62.4146.8167.461.30000109.8Q195 F196 Q204 E222Q195-T220 PolarHBondContact O-N 2.84Å; Q195-T220 PolarHBondContact O-OG1 3.22Å; F196-T220 WeakPolarHBondContact CA-OG1 3.37Å; F196-T220 HydrophobicContact CB-CG2 3.72Å; Q204-T220 HydrophobicContact CB-CG2 4.35Å; Q204-T220 HydrophobicContact CG-CG2 4.17Å; T220-E222 PolarHBondContact O-N 3.23Å
221S85.3Confident88Confident104 Ų10459.5 Ų59.573%0.72732%0.32SS*.SBendtrans-74.4-5.6174.649.30000113.8Q204 A223Q204-S221 VanDerWaalsContact CD-OG 3.27Å; Q204-S221 PolarHBondContact NE2-OG 2.97Å; Q204-S221 PolarHBondContact OE1-OG 3.44Å; S221-A223 PolarHBondContact O-N 3.22Å
222E83.8Confident88.6Confident40 Ų4053.6 Ų53.619%0.18729%0.292CS..SBendtrans-61.8130.4174-68.3174.517200111.1Q204 T220Q204-E222 HydrophobicContact CB-CG 4.12Å; Q204-E222 WeakPolarHBondContact CB-OE1 3.42Å; Q204-E222 PolarHBondContact N-OE1 3.11Å; T220-E222 PolarHBondContact O-N 3.23Å
223A86.6Confident89.2Confident87 Ų8748.7 Ų48.772%0.71927%0.27SS*.PPolyproline II helixtrans-74.1131.8172.300000109.8S221 K225S221-A223 PolarHBondContact O-N 3.22Å; A223-K225 PolarHBondContact O-N 2.92Å
224L88.4Confident89.9Confident59 Ų5948.3 Ų48.331%0.30927%0.266SS..PPolyproline II helixtrans-61.5126.3176.9-55.5176.7000110.2Q195 D197 T226 I229Q195-L224 HydrophobicContact CG-CD2 4.49Å; D197-L224 HydrophobicContact CB-CD2 3.94Å; L224-T226 VanDerWaalsContact CB-O 3.23Å; L224-T226 WeakPolarHBondContact CB-O 3.39Å; L224-I229 HydrophobicContact CD1-CG2 3.69Å; L224-I229 HydrophobicContact CD2-CG2 4.41Å
225K87.8Confident90.2Very high130 Ų13045.5 Ų45.557%0.56525%0.253SS*.SBendtrans-79.4-25.5174.7-69.2176.4-160.2163.50113D197 A199 A223D197-K225 VanDerWaalsContact OD2-CG 3.31Å; D197-K225 WeakPolarHBondContact OD2-CG 3.45Å; D197-K225 PolarHBondContact OD2-N 3.47Å; A199-K225 HydrophobicContact CB-CB 4.2Å; A199-K225 WeakPolarHBondContact O-CD 3.43Å; A199-K225 PolarHBondContact O-NZ 3.07Å; A223-K225 PolarHBondContact O-N 2.92Å
226T87.4Confident90.3Very high61 Ų6146.5 Ų46.537%0.37426%0.257SS..SBendtrans-120.7-172.4171.769.80000109.1A199 L224 D228A199-T226 HydrophobicContact CB-CG2 3.81Å; L224-T226 VanDerWaalsContact CB-O 3.23Å; L224-T226 WeakPolarHBondContact CB-O 3.39Å; T226-D228 WeakPolarHBondContact OG1-CB 3.41Å; T226-D228 PolarHBondContact OG1-N 2.79Å; T226-D228 VanDerWaalsContact OG1-N 3.14Å; T226-D228 PolarHBondContact OG1-OD2 3.38Å
227K89.6Confident90.7Very high118 Ų11844.9 Ų44.951%0.51325%0.246SC..SBendtrans-85.20.8171.1-60.8-175.9-172.5161.10112.8A148 E149A148-K227 WeakPolarHBondContact O-CD 3.34Å; A148-K227 PolarHBondContact O-NZ 3.39Å; E149-K227 WeakPolarHBondContact O-CD 3.32Å; E149-K227 PolarHBondContact O-NZ 3.4Å
228D90Very high90.8Very high23 Ų2344.3 Ų44.312%0.12325%0.253CS..  trans-78.7146.8-179.1-56.4-52.1000110.5N139 P198 T226N139-D228 PolarHBondContact ND2-OD1 2.63Å; N139-D228 WeakPolarHBondContact OD1-CA 3.38Å; N139-D228 WeakPolarHBondContact OD1-CB 3.48Å; P198-D228 WeakPolarHBondContact CD-O 3.41Å; P198-D228 HydrophobicContact CG-CB 3.64Å; T226-D228 WeakPolarHBondContact OG1-CB 3.41Å; T226-D228 PolarHBondContact OG1-N 2.79Å; T226-D228 VanDerWaalsContact OG1-N 3.14Å; T226-D228 PolarHBondContact OG1-OD2 3.38Å
229I92.5Very high91Very high3 Ų338.3 Ų38.32%0.01523%0.225CC..  trans-123.6136.5174.563.4176.9000109.6K138 N139 A152 I167 Q195 L224K138-I229 WeakPolarHBondContact CA-O 3.42Å; N139-I229 HydrophobicContact CB-CG1 4.19Å; N139-I229 PolarHBondContact N-O 3.05Å; N139-I229 PolarHBondContact OD1-N 3.24Å; N139-I229 PolarHBondContact OD1-O 2.9Å; N139-I229 VanDerWaalsContact OD1-O 3.06Å; A152-I229 HydrophobicContact CB-CD1 3.83Å; A152-I229 HydrophobicContact CB-CG1 3.94Å; I167-I229 HydrophobicContact CG2-CD1 4.29Å; I167-I229 HydrophobicContact CG2-CG1 4.47Å; Q195-I229 HydrophobicContact CG-CB 4.1Å; Q195-I229 HydrophobicContact CG-CG2 3.94Å; L224-I229 HydrophobicContact CD1-CG2 3.69Å; L224-I229 HydrophobicContact CD2-CG2 4.41Å
230G91.9Very high91.3Very high0 Ų042.2 Ų42.20%024%0.235CC..EExtended strand (participates in β ladder)trans-101.6146.616700000110.3F137 Q195 F196F137-G230 CarbonylContact O-C 3.59Å; F137-G230 WeakPolarHBondContact O-CA 3.41Å; Q195-G230 CarbonylContact C-O 3.59Å; Q195-G230 VanDerWaalsContact CA-O 3.26Å; Q195-G230 WeakPolarHBondContact CA-O 3.47Å; F196-G230 VanDerWaalsContact CD1-O 3.22Å; F196-G230 WeakPolarHBondContact CD1-O 3.32Å; F196-G230 VanDerWaalsContact CE1-CA 3.47Å; F196-G230 PolarHBondContact N-O 3.3Å; F196-G230 PolarHBondContact O-N 3.43Å
231V95.1Very high91.6Very high0 Ų044.8 Ų44.80%025%0.251CS..EExtended strand (participates in β ladder)trans-125.3158.5172.7-51.30000110.2T136 F137 V165 I167 L180 P194T136-V231 VanDerWaalsContact CA-O 3.28Å; T136-V231 WeakPolarHBondContact CA-O 3.06Å; F137-V231 PolarHBondContact N-O 3Å; F137-V231 PolarHBondContact O-N 2.93Å; V165-V231 HydrophobicContact CB-CB 4.09Å; V165-V231 HydrophobicContact CB-CG2 4.21Å; V165-V231 HydrophobicContact CG1-CB 3.75Å; V165-V231 HydrophobicContact CG1-CG1 3.76Å; V165-V231 HydrophobicContact CG1-CG2 4.24Å; I167-V231 HydrophobicContact CD1-CB 4.4Å; I167-V231 HydrophobicContact CD1-CG1 3.75Å; I167-V231 HydrophobicContact CD1-CG2 3.8Å; I167-V231 HydrophobicContact CG1-CB 4.35Å; I167-V231 HydrophobicContact CG1-CG1 3.44Å; I167-V231 VanDerWaalsContact CG1-CG1 3.44Å; I167-V231 HydrophobicContact CG1-CG2 3.93Å; L180-V231 HydrophobicContact CD1-CG2 4.08Å; P194-V231 VanDerWaalsContact O-CG1 3.26Å; P194-V231 WeakPolarHBondContact O-CG1 3.06Å
232A94.7Very high92.1Very high0 Ų046.2 Ų46.20%025%0.248CC..EExtended strand (participates in β ladder)trans-142.6145.4178.300000113T134 F135 T136 R192 C193 L205 L215T134-A232 HydrophobicContact CG2-CB 3.94Å; F135-A232 CarbonylContact O-C 3.53Å; F135-A232 VanDerWaalsContact O-CA 3.29Å; F135-A232 WeakPolarHBondContact O-CA 3.48Å; T136-A232 HydrophobicContact CG2-CB 3.72Å; R192-A232 CarbonylContact C-O 3.45Å; R192-A232 WeakPolarHBondContact CA-O 3.47Å; C193-A232 HydrophobicContact CB-CB 3.86Å; C193-A232 PolarHBondContact N-O 3.11Å; C193-A232 PolarHBondContact O-N 3.45Å; L205-A232 HydrophobicContact CD2-CB 4.44Å; L215-A232 HydrophobicContact CD1-CB 3.65Å
233V96.3Very high92.7Very high0 Ų045.9 Ų45.90%025%0.252CS..EExtended strand (participates in β ladder)trans-126.6121.8169.8-177.10000108.6T134 F135 V165 L180 C182 I190 R192 F249T134-V233 CarbonylContact C-O 3.44Å; T134-V233 VanDerWaalsContact CA-O 3.29Å; T134-V233 WeakPolarHBondContact CA-O 3.45Å; F135-V233 PolarHBondContact N-O 3.43Å; F135-V233 PolarHBondContact O-N 2.93Å; V165-V233 HydrophobicContact CG2-CG2 4.1Å; L180-V233 HydrophobicContact CB-CG2 3.97Å; C182-V233 HydrophobicContact CB-CG1 3.75Å; I190-V233 HydrophobicContact CG2-CG1 4.18Å; R192-V233 HydrophobicContact CG-CG1 4.46Å; R192-V233 HydrophobicContact CG-CG2 4.47Å; V233-F249 HydrophobicContact CG1-CE1 4.23Å
234C95.9Very high93.2Very high0 Ų045.9 Ų45.90%025%0.247CC..EExtended strand (participates in β ladder)trans-112.5121.7179.21780000110.7I133 T134 I190 T191 L209 L215I133-C234 CarbonylContact O-C 3.51Å; I133-C234 VanDerWaalsContact O-CA 3.31Å; I133-C234 WeakPolarHBondContact O-CA 3.49Å; T134-C234 HydrophobicContact CG2-CB 4.09Å; T134-C234 WeakPolarHBondContact OG1-CB 3.41Å; T134-C234 PolarHBondContact OG1-SG 2.9Å; I190-C234 WeakPolarHBondContact CA-O 3.43Å; T191-C234 PolarHBondContact N-O 2.74Å; T191-C234 PolarHBondContact O-N 3.24Å; L209-C234 HydrophobicContact CD2-CB 4.44Å; L215-C234 HydrophobicContact CD1-CB 3.69Å; L215-C234 HydrophobicContact CG-CB 3.83Å
235G95.6Very high93.6Very high0 Ų045.2 Ų45.20%024%0.242CC..EExtended strand (participates in β ladder)trans-103.3131.2167.700000110.4S132 I133 S189S132-G235 CarbonylContact C-O 3.59Å; S132-G235 WeakPolarHBondContact CA-O 3.23Å; I133-G235 PolarHBondContact N-O 3.49Å; I133-G235 PolarHBondContact O-N 2.8Å; S189-G235 CarbonylContact O-C 3.58Å; S189-G235 WeakPolarHBondContact O-CA 3.2Å
236Q94Very high94Very high31 Ų3141.1 Ų41.115%0.14523%0.227CC..EExtended strand (participates in β ladder)trans-124.9137.1178.8179.218078.700110.8V131 S132 I188 S189 G213V131-Q236 WeakPolarHBondContact O-CA 3.33Å; S132-Q236 WeakPolarHBondContact OG-CB 3.42Å; S132-Q236 WeakPolarHBondContact OG-CG 3.42Å; S132-Q236 PolarHBondContact OG-NE2 3.29Å; I188-Q236 WeakPolarHBondContact CA-O 2.96Å; S189-Q236 PolarHBondContact N-O 3.05Å; S189-Q236 PolarHBondContact O-N 3.07Å; G213-Q236 PolarHBondContact O-NE2 3.23Å
237V94.3Very high94.4Very high4 Ų438.2 Ų38.22%0.02421%0.209CC..EExtended strand (participates in β ladder)trans-132.1146.5176.765.60000110.6K130 V131 L239 H245 L247K130-V237 WeakPolarHBondContact CA-O 3.34Å; V131-V237 PolarHBondContact N-O 2.88Å; V131-V237 PolarHBondContact O-N 3.34Å; V237-L239 HydrophobicContact CG1-CD2 4.33Å; V237-L239 HydrophobicContact CG1-CG 4.26Å; V237-L239 HydrophobicContact CG2-CD2 4.08Å; V237-H245 HydrophobicContact CG2-CB 4.08Å; V237-L247 HydrophobicContact CB-CD2 4.26Å; V237-L247 HydrophobicContact CG1-CD1 4.13Å; V237-L247 HydrophobicContact CG1-CD2 4.36Å; V237-L247 HydrophobicContact CG1-CG 4.31Å
238A92.2Very high94.8Very high56 Ų5633.4 Ų33.446%0.46319%0.188SC..EExtended strand (participates in β ladder)trans-104.2121.5171.200000109.6K130K130-A238 HydrophobicContact CG-CB 4.03Å
239L92.3Very high95.2Very high7 Ų732.3 Ų32.34%0.03718%0.182CC..EExtended strand (participates in β ladder)trans-109.9126.7-176-62.8178.6000111V121 N123 E128 R129 V237 H245V121-L239 HydrophobicContact CB-CD1 4.06Å; V121-L239 HydrophobicContact CG1-CD1 3.52Å; N123-L239 HydrophobicContact CB-CB 3.86Å; N123-L239 HydrophobicContact CB-CD1 4.12Å; N123-L239 PolarHBondContact ND2-O 2.84Å; E128-L239 WeakPolarHBondContact CA-O 3.25Å; E128-L239 WeakPolarHBondContact CG-O 3.43Å; R129-L239 PolarHBondContact N-O 3.44Å; R129-L239 PolarHBondContact O-N 2.82Å; V237-L239 HydrophobicContact CG1-CD2 4.33Å; V237-L239 HydrophobicContact CG1-CG 4.26Å; V237-L239 HydrophobicContact CG2-CD2 4.08Å; L239-H245 HydrophobicContact CD2-CB 3.48Å; L239-H245 VanDerWaalsContact CD2-CB 3.48Å
240K95.6Very high95.5Very high155 Ų15532.1 Ų32.167%0.67418%0.181SC*.  trans-60.8160166.9-69-179.6-178.5174.90110.7N123 M242 A243N123-K240 PolarHBondContact ND2-O 3.47Å; K240-M242 PolarHBondContact O-N 3.07Å; K240-A243 HydrophobicContact CB-CB 4.14Å; K240-A243 VanDerWaalsContact O-CB 3.27Å; K240-A243 WeakPolarHBondContact O-CB 3.25Å; K240-A243 PolarHBondContact O-N 3.29Å; K240-A243 VanDerWaalsContact O-N 3.13Å
241P94.3Very high95.8Very high62 Ų6232.6 Ų32.640%0.40318%0.184SC..THydrogen-bonded Turntrans-48.9136.2172.5-28.635.9000111.8C125 D126 A243C125-P241 WeakPolarHBondContact O-CA 3.42Å; D126-P241 VanDerWaalsContact O-CG 3.25Å; D126-P241 WeakPolarHBondContact O-CG 3.3Å; P241-A243 PolarHBondContact O-N 2.83Å
242M95.1Very high95.9Very high134 Ų13432.6 Ų32.666%0.6618%0.184SC*.THydrogen-bonded Turntrans59.513.4178.4-51.4-56.6-62.100115.5N123 C125 K240N123-M242 CarbonylContact O-C 3.59Å; N123-M242 WeakPolarHBondContact O-CA 3.26Å; N123-M242 PolarHBondContact O-N 2.86Å; C125-M242 PolarHBondContact O-N 3.01Å; K240-M242 PolarHBondContact O-N 3.07Å
243A96.4Very high95.9Very high33 Ų3335.5 Ų35.527%0.27320%0.195SC..  trans-95.2156.6178.900000111.9N123 K240 P241N123-A243 WeakPolarHBondContact CB-O 3.41Å; N123-A243 PolarHBondContact N-O 2.95Å; K240-A243 HydrophobicContact CB-CB 4.14Å; K240-A243 VanDerWaalsContact O-CB 3.27Å; K240-A243 WeakPolarHBondContact O-CB 3.25Å; K240-A243 PolarHBondContact O-N 3.29Å; K240-A243 VanDerWaalsContact O-N 3.13Å; P241-A243 PolarHBondContact O-N 2.83Å
244S96.9Very high96Very high87 Ų8735.5 Ų35.561%0.60820%0.195SC*.EExtended strand (participates in β ladder)trans-126.4152.8173.761.20000111.8V121V121-S244 CarbonylContact O-C 3.51Å; V121-S244 WeakPolarHBondContact O-CA 3.3Å; V121-S244 WeakPolarHBondContact O-CB 3.44Å
245H96.9Very high96Very high45 Ų4536.1 Ų36.121%0.20820%0.198CC..EExtended strand (participates in β ladder)trans-150.3148.8172.2-159.4-76.5000110.9V121 E187 V237 L239V121-H245 WeakPolarHBondContact CB-O 3.46Å; V121-H245 PolarHBondContact N-O 3.01Å; V121-H245 PolarHBondContact O-N 3.39Å; E187-H245 WeakPolarHBondContact CG-NE2 3.17Å; E187-H245 IonicContact OE1-CE1 3.19Å; E187-H245 IonicContact OE1-NE2 3.54Å; E187-H245 PolarHBondContact OE1-NE2 3.42Å; E187-H245 VanDerWaalsContact OE1-NE2 3.14Å; V237-H245 HydrophobicContact CG2-CB 4.08Å; L239-H245 HydrophobicContact CD2-CB 3.48Å; L239-H245 VanDerWaalsContact CD2-CB 3.48Å
246D96.8Very high96.1Very high45 Ų4536.1 Ų36.124%0.24120%0.198CC..EExtended strand (participates in β ladder)trans-93.4138.1175.7-74.3-4.4000111.1R97 V118 W119 S120R97-D246 IonicContact NH2-OD2 2.9Å; R97-D246 PolarHBondContact NH2-OD2 3.35Å; V118-D246 HydrophobicContact CG1-CB 4.06Å; W119-D246 CarbonylContact O-C 3.45Å; W119-D246 VanDerWaalsContact O-CA 3.31Å; W119-D246 WeakPolarHBondContact O-CA 3.43Å; S120-D246 WeakPolarHBondContact CA-OD1 3.4Å; S120-D246 VanDerWaalsContact CB-OD1 3.27Å; S120-D246 WeakPolarHBondContact CB-OD1 3.5Å; S120-D246 PolarHBondContact OG-OD1 3.44Å
247L97Very high96.1Very high0 Ų038.2 Ų38.20%021%0.206CC..EExtended strand (participates in β ladder)trans-112116.3166.6-67.9172.9000108.4W119 V121 I133 I188 V237 F249W119-L247 HydrophobicContact CB-CB 4.23Å; W119-L247 WeakPolarHBondContact CB-O 3.09Å; W119-L247 PolarHBondContact N-O 2.68Å; W119-L247 PolarHBondContact O-N 3.36Å; V121-L247 HydrophobicContact CG2-CD1 4.25Å; I133-L247 HydrophobicContact CB-CD1 3.97Å; I133-L247 HydrophobicContact CG1-CD1 3.36Å; I188-L247 HydrophobicContact CB-CD2 4.35Å; I188-L247 HydrophobicContact CD1-CD2 3.54Å; I188-L247 HydrophobicContact CG1-CD2 3.71Å; I188-L247 HydrophobicContact CG2-CD2 3.68Å; V237-L247 HydrophobicContact CB-CD2 4.26Å; V237-L247 HydrophobicContact CG1-CD1 4.13Å; V237-L247 HydrophobicContact CG1-CD2 4.36Å; V237-L247 HydrophobicContact CG1-CG 4.31Å; L247-F249 HydrophobicContact CB-CE2 3.82Å
248E97.9Very high96.1Very high16 Ų1638.4 Ų38.48%0.07521%0.207CC..EExtended strand (participates in β ladder)trans-104.1118.7-171.1-59.6171.4-175.500110.9V118 C182 R183 L290 Y293V118-E248 HydrophobicContact CG1-CG 4.29Å; C182-E248 CarbonylContact C-O 3.58Å; C182-E248 WeakPolarHBondContact CA-O 3.2Å; R183-E248 HydrophobicContact CB-CB 4.04Å; R183-E248 WeakPolarHBondContact CD-OE2 3.19Å; R183-E248 IonicContact CZ-OE2 3.91Å; R183-E248 PolarHBondContact N-O 2.9Å; R183-E248 IonicContact NE-OE2 3.31Å; R183-E248 IonicContact NH1-OE1 2.8Å; R183-E248 PolarHBondContact NH1-OE1 2.63Å; R183-E248 IonicContact NH1-OE2 2.88Å; R183-E248 PolarHBondContact NH1-OE2 3.2Å; E248-L290 HydrophobicContact CB-CD2 4.03Å; E248-Y293 HydrophobicContact CG-CE1 4.25Å; E248-Y293 PolarHBondContact OE1-OH 3.25Å; E248-Y293 WeakPolarHBondContact OE2-CE1 3.36Å
249F98.3Very high96.1Very high0 Ų038.9 Ų38.90%020%0.2CC..EExtended strand (participates in β ladder)trans-116.6156.4177-63-97.3000111.3V116 F117 W119 I133 F135 A181 C182 V233 L247V116-F249 CarbonylContact C-O 3.55Å; V116-F249 WeakPolarHBondContact CA-O 3.49Å; V116-F249 WeakPolarHBondContact CG1-O 3.32Å; F117-F249 HydrophobicContact CB-CB 4.29Å; F117-F249 PolarHBondContact N-O 3.29Å; F117-F249 PolarHBondContact O-N 3.03Å; W119-F249 AromaticContact CD1-CD2 3.87Å; I133-F249 HydrophobicContact CB-CE2 3.87Å; I133-F249 HydrophobicContact CB-CZ 3.96Å; I133-F249 HydrophobicContact CG2-CE2 3.71Å; I133-F249 HydrophobicContact CG2-CZ 4.02Å; I133-F249 VanDerWaalsContact O-CZ 3.32Å; I133-F249 WeakPolarHBondContact O-CZ 3.11Å; F135-F249 HydrophobicContact CB-CD1 3.97Å; F135-F249 HydrophobicContact CB-CE1 4.33Å; F135-F249 HydrophobicContact CD1-CB 4.06Å; F135-F249 HydrophobicContact CD1-CD1 4.43Å; A181-F249 CarbonylContact O-C 3.13Å; A181-F249 VanDerWaalsContact O-CA 3.24Å; A181-F249 WeakPolarHBondContact O-CA 3.47Å; C182-F249 HydrophobicContact CB-CD1 3.89Å; C182-F249 HydrophobicContact CB-CE1 3.78Å; C182-F249 HydrophobicContact CB-CZ 4.45Å; V233-F249 HydrophobicContact CG1-CE1 4.23Å; L247-F249 HydrophobicContact CB-CE2 3.82Å
250V98Very high96.2Very high0 Ų039.1 Ų39.10%020%0.201CC..EExtended strand (participates in β ladder)trans-135.4141.8174.358.60000110.2C114 A115 V116 L180 A181 C286 A289 L290C114-V250 HydrophobicContact CB-CG2 4.39Å; A115-V250 WeakPolarHBondContact O-CA 3.33Å; V116-V250 HydrophobicContact CG2-CB 4.37Å; V116-V250 HydrophobicContact CG2-CG2 4.22Å; L180-V250 WeakPolarHBondContact CA-O 3.44Å; A181-V250 HydrophobicContact CB-CG1 3.81Å; A181-V250 PolarHBondContact N-O 3.5Å; A181-V250 VanDerWaalsContact N-O 3.08Å; A181-V250 PolarHBondContact O-N 2.73Å; V250-C286 HydrophobicContact CG1-CB 3.61Å; V250-A289 HydrophobicContact CG2-CB 3.83Å; V250-L290 HydrophobicContact CB-CD2 4.07Å; V250-L290 HydrophobicContact CB-CG 4.09Å; V250-L290 HydrophobicContact CG1-CD1 3.81Å; V250-L290 HydrophobicContact CG1-CD2 4.11Å; V250-L290 HydrophobicContact CG1-CG 3.74Å
251L97.3Very high96.2Very high9 Ų935.6 Ų35.65%0.04719%0.193CC..EExtended strand (participates in β ladder)trans-112.5123.4161.2177.964.5000108.4L4 C114 A115 F117 F135 F137 N179 L180 W253L4-L251 HydrophobicContact CD2-CD2 4.11Å; C114-L251 CarbonylContact C-O 3.56Å; C114-L251 WeakPolarHBondContact CA-O 3.28Å; C114-L251 WeakPolarHBondContact CB-O 3.5Å; A115-L251 PolarHBondContact N-O 2.93Å; A115-L251 PolarHBondContact O-N 2.85Å; F117-L251 HydrophobicContact CE2-CB 3.97Å; F135-L251 HydrophobicContact CE1-CB 3.97Å; F135-L251 HydrophobicContact CZ-CB 4.05Å; F135-L251 HydrophobicContact CZ-CD2 4.41Å; F137-L251 HydrophobicContact CD1-CD1 4.45Å; F137-L251 HydrophobicContact CD2-CD1 4.49Å; F137-L251 HydrophobicContact CD2-CD2 4.32Å; F137-L251 HydrophobicContact CE1-CD1 4.45Å; F137-L251 HydrophobicContact CE2-CD1 4.49Å; F137-L251 HydrophobicContact CE2-CD2 3.73Å; F137-L251 HydrophobicContact CG-CD1 4.48Å; F137-L251 HydrophobicContact CZ-CD1 4.49Å; F137-L251 HydrophobicContact CZ-CD2 3.95Å; N179-L251 CarbonylContact O-C 3.4Å; N179-L251 WeakPolarHBondContact O-CA 3.24Å; L180-L251 HydrophobicContact CD1-CD1 3.7Å; L180-L251 HydrophobicContact CG-CD1 3.94Å; L251-W253 HydrophobicContact CD2-CE3 4.46Å; L251-W253 HydrophobicContact CD2-CZ3 4.47Å; L251-W253 HydrophobicContact CG-CE3 4.2Å; L251-W253 HydrophobicContact CG-CZ3 4.39Å
252A97.6Very high96.2Very high0 Ų039.8 Ų39.80%020%0.201CC..EExtended strand (participates in β ladder)trans-124.6136.6172.300000110.9P113 C114 N179 I285P113-A252 WeakPolarHBondContact O-CA 3.49Å; C114-A252 HydrophobicContact CB-CB 3.95Å; N179-A252 HydrophobicContact CB-CB 4.44Å; N179-A252 PolarHBondContact N-O 2.88Å; N179-A252 PolarHBondContact ND2-O 3.22Å; N179-A252 PolarHBondContact O-N 2.81Å; A252-I285 HydrophobicContact CB-CB 4.1Å; A252-I285 HydrophobicContact CB-CG2 3.7Å
253W95.8Very high96.1Very high61 Ų6139.6 Ų39.623%0.23120%0.197CC..EExtended strand (participates in β ladder)trans-116.8107.2177.853.993.9000111.2L4 P113 S177 Y178 L251 M255L4-W253 HydrophobicContact CD1-CD2 3.87Å; L4-W253 HydrophobicContact CD1-CE3 3.7Å; L4-W253 HydrophobicContact CD1-CH2 3.67Å; L4-W253 HydrophobicContact CD1-CZ2 3.83Å; L4-W253 HydrophobicContact CD1-CZ3 3.6Å; P113-W253 HydrophobicContact CB-CD2 4.14Å; P113-W253 HydrophobicContact CB-CG 4.04Å; P113-W253 HydrophobicContact CB-CZ2 4.34Å; P113-W253 VanDerWaalsContact CB-NE1 3.32Å; P113-W253 WeakPolarHBondContact CB-O 3.4Å; P113-W253 VanDerWaalsContact CG-O 3.26Å; P113-W253 WeakPolarHBondContact CG-O 3.48Å; P113-W253 PolarHBondContact O-N 3.39Å; S177-W253 CarbonylContact O-C 3.47Å; S177-W253 VanDerWaalsContact O-CA 3.28Å; S177-W253 WeakPolarHBondContact O-CA 3.47Å; Y178-W253 HydrophobicContact CD1-CB 3.65Å; Y178-W253 HydrophobicContact CE1-CB 3.79Å; L251-W253 HydrophobicContact CD2-CE3 4.46Å; L251-W253 HydrophobicContact CD2-CZ3 4.47Å; L251-W253 HydrophobicContact CG-CE3 4.2Å; L251-W253 HydrophobicContact CG-CZ3 4.39Å; W253-M255 PolarHBondContact O-N 3.2Å
254D97.6Very high95.9Very high0 Ų042.9 Ų42.90%021%0.208CC..EExtended strand (participates in β ladder)trans-93.8102.2178.8-17620000109.5C176 S177 Y271 G279 D280 S281 G282 I285C176-D254 CarbonylContact C-O 3.6Å; C176-D254 VanDerWaalsContact CA-O 3.26Å; C176-D254 WeakPolarHBondContact CA-O 3.42Å; S177-D254 PolarHBondContact N-O 3.48Å; S177-D254 PolarHBondContact O-N 3.13Å; D254-Y271 PolarHBondContact OD1-OH 3.39Å; D254-G279 VanDerWaalsContact OD2-CA 3.32Å; D254-G279 WeakPolarHBondContact OD2-CA 3.44Å; D254-D280 PolarHBondContact OD2-N 3.08Å; D254-S281 WeakPolarHBondContact OD2-CA 3.18Å; D254-S281 WeakPolarHBondContact OD2-CB 3.47Å; D254-S281 PolarHBondContact OD2-N 2.95Å; D254-G282 PolarHBondContact OD2-N 2.73Å; D254-I285 HydrophobicContact CB-CD1 4.48Å
255M96.8Very high95.5Very high13 Ų1341.2 Ų41.26%0.06419%0.19CC..  trans-131.374.6177.3-171.4-178.9-175.500108.8M3 I171 M174 C176 W253 K257 R269 Y271M3-M255 HydrophobicContact CE-SD 4.33Å; I171-M255 HydrophobicContact CB-CE 3.99Å; I171-M255 HydrophobicContact CG2-CE 4.17Å; M174-M255 HydrophobicContact CB-CE 3.82Å; M174-M255 HydrophobicContact CE-CE 3.57Å; M174-M255 HydrophobicContact SD-CE 4.03Å; C176-M255 HydrophobicContact CB-CB 4.2Å; C176-M255 HydrophobicContact CB-CG 4.05Å; C176-M255 HydrophobicContact CB-SD 4.44Å; W253-M255 PolarHBondContact O-N 3.2Å; M255-K257 VanDerWaalsContact C-N 3.29Å; M255-K257 PolarHBondContact O-N 3.38Å; M255-R269 WeakPolarHBondContact O-CD 3.47Å; M255-R269 PolarHBondContact O-NE 3.39Å; M255-Y271 VanDerWaalsContact C-OH 3.3Å; M255-Y271 PolarHBondContact N-OH 3.43Å
256P96.3Very high95.3Very high0 Ų042.6 Ų42.60%020%0.202CC..  trans-73.2-21.8-160.627.8-36.7000113.6T268 R269 Y271 T272 D277P256-T268 CarbonylContact O-C 3.55Å; P256-T268 VanDerWaalsContact O-CA 3.26Å; P256-T268 WeakPolarHBondContact O-CA 3.46Å; P256-R269 PolarHBondContact O-N 3.13Å; P256-Y271 VanDerWaalsContact CA-OH 3.26Å; P256-Y271 WeakPolarHBondContact CA-OH 3.14Å; P256-Y271 VanDerWaalsContact N-OH 3.15Å; P256-T272 HydrophobicContact CB-CG2 3.46Å; P256-T272 VanDerWaalsContact CB-CG2 3.46Å; P256-D277 HydrophobicContact CB-CB 4.19Å
257K94.9Very high95.1Very high75 Ų7540.7 Ų40.733%0.32619%0.191SC..EExtended strand (participates in β ladder)trans-110143.7-173.4-66.3176.5-177.3173.70110.8M174 M255 H267M174-K257 VanDerWaalsContact SD-O 3.34Å; M255-K257 VanDerWaalsContact C-N 3.29Å; M255-K257 PolarHBondContact O-N 3.38Å; K257-H267 CarbonylContact C-O 3.47Å; K257-H267 WeakPolarHBondContact CA-O 3.39Å
258I93.6Very high95Very high9 Ų941.1 Ų41.15%0.04619%0.194CC..EExtended strand (participates in β ladder)trans-122.8131168-52-177.2000108.2M174 F260 H267 R269 I334 L336M174-I258 VanDerWaalsContact SD-CA 3.55Å; I258-F260 HydrophobicContact CG2-CD1 4.28Å; I258-F260 HydrophobicContact CG2-CD2 4.22Å; I258-F260 HydrophobicContact CG2-CE1 3.96Å; I258-F260 HydrophobicContact CG2-CE2 3.93Å; I258-F260 HydrophobicContact CG2-CG 4.41Å; I258-F260 HydrophobicContact CG2-CZ 3.79Å; I258-H267 HydrophobicContact CB-CB 4.39Å; I258-H267 PolarHBondContact N-O 3.04Å; I258-H267 PolarHBondContact O-N 3.33Å; I258-R269 HydrophobicContact CD1-CG 4.04Å; I258-R269 HydrophobicContact CG1-CG 3.98Å; I258-I334 HydrophobicContact CD1-CG2 4.22Å; I258-L336 HydrophobicContact CD1-CD2 3.37Å; I258-L336 HydrophobicContact CG1-CD2 4.32Å
259Q93.7Very high94.9Very high65 Ų6543.2 Ų43.230%0.30420%0.202SC..EExtended strand (participates in β ladder)trans-129.5116.2165.8179.117179.300107.5M174 K263M174-Q259 HydrophobicContact SD-CB 4.35Å; M174-Q259 PolarHBondContact SD-N 3.47Å; Q259-K263 HydrophobicContact CG-CB 4.13Å; Q259-K263 HydrophobicContact CG-CG 3.9Å
260F94.1Very high94.8Very high13 Ų1343.5 Ų43.56%0.05720%0.203CC..  trans-75161.8177.6-63.2-76.1000110.9I258 R262 K263 H267 I334 E435 E436 P437I258-F260 HydrophobicContact CG2-CD1 4.28Å; I258-F260 HydrophobicContact CG2-CD2 4.22Å; I258-F260 HydrophobicContact CG2-CE1 3.96Å; I258-F260 HydrophobicContact CG2-CE2 3.93Å; I258-F260 HydrophobicContact CG2-CG 4.41Å; I258-F260 HydrophobicContact CG2-CZ 3.79Å; F260-R262 PolarHBondContact O-N 2.94Å; F260-R262 VanDerWaalsContact O-N 3.09Å; F260-K263 WeakPolarHBondContact O-CA 3.36Å; F260-K263 PolarHBondContact O-N 3.43Å; F260-H267 AromaticContact CD2-CD2 3.9Å; F260-H267 AromaticContact CE2-CD2 3.71Å; F260-I334 HydrophobicContact CZ-CD1 3.94Å; F260-E435 WeakPolarHBondContact CB-O 3.3Å; F260-E436 VanDerWaalsContact CD2-OE1 3.26Å; F260-E436 WeakPolarHBondContact CD2-OE1 3.32Å; F260-P437 HydrophobicContact CD1-CG 4Å; F260-P437 HydrophobicContact CD2-CG 4.4Å; F260-P437 HydrophobicContact CE1-CG 3.71Å; F260-P437 HydrophobicContact CE2-CB 4.44Å; F260-P437 HydrophobicContact CE2-CG 4.11Å; F260-P437 HydrophobicContact CG-CG 4.33Å; F260-P437 HydrophobicContact CZ-CB 4.29Å; F260-P437 HydrophobicContact CZ-CG 3.75Å
261P94.8Very high94.7Very high80 Ų8043.9 Ų43.952%0.51920%0.204SC..THydrogen-bonded Turntrans-59.8-26.6-169.6-30.340.1000115.4K263 P433P261-K263 PolarHBondContact O-N 3.29Å; P261-P433 WeakPolarHBondContact CD-O 3.29Å
262R94.6Very high94.6Very high150 Ų15043.7 Ų43.757%0.56620%0.203SC*.THydrogen-bonded Turntrans-72.6-16.5174.2-65.4-68.4-172.8170.94.5113.5F260 M264 E435 E436 L440F260-R262 PolarHBondContact O-N 2.94Å; F260-R262 VanDerWaalsContact O-N 3.09Å; R262-M264 HydrophobicContact CB-CG 3.9Å; R262-M264 HydrophobicContact CB-SD 4.33Å; R262-M264 PolarHBondContact O-N 3.46Å; R262-M264 VanDerWaalsContact O-N 3.15Å; R262-E435 WeakPolarHBondContact CB-O 3.43Å; R262-E435 VanDerWaalsContact CG-C 3.48Å; R262-E435 HydrophobicContact CG-CB 4.31Å; R262-E435 VanDerWaalsContact CG-O 3.27Å; R262-E435 WeakPolarHBondContact CG-O 3.33Å; R262-E435 PolarHBondContact N-O 3.09Å; R262-E435 IonicContact NH2-OE1 2.73Å; R262-E436 HydrophobicContact CB-CB 4.11Å; R262-E436 HydrophobicContact CG-CB 4.4Å; R262-L440 HydrophobicContact CG-CD1 4.26Å
263K93.3Very high94.3Very high131 Ų13146.7 Ų46.757%0.5722%0.216SC*.  trans52.731.7176.7-51.9-171.8176.1-172.40113.3Q259 F260 P261 Q265Q259-K263 HydrophobicContact CG-CB 4.13Å; Q259-K263 HydrophobicContact CG-CG 3.9Å; F260-K263 WeakPolarHBondContact O-CA 3.36Å; F260-K263 PolarHBondContact O-N 3.43Å; P261-K263 PolarHBondContact O-N 3.29Å; K263-Q265 VanDerWaalsContact C-N 3.35Å
264M91.6Very high94.1Very high101 Ų10147.4 Ų47.450%0.49822%0.219SC..SBendtrans-73.1-34.9178.7-53.3178.16000110.3R262 E436 T439 L440R262-M264 HydrophobicContact CB-CG 3.9Å; R262-M264 HydrophobicContact CB-SD 4.33Å; R262-M264 PolarHBondContact O-N 3.46Å; R262-M264 VanDerWaalsContact O-N 3.15Å; M264-E436 WeakPolarHBondContact CA-OE2 3.38Å; M264-E436 HydrophobicContact CB-CG 3.88Å; M264-E436 WeakPolarHBondContact CB-OE2 3.38Å; M264-E436 HydrophobicContact CG-CB 4.32Å; M264-E436 HydrophobicContact CG-CG 3.99Å; M264-E436 WeakPolarHBondContact CG-OE2 3.21Å; M264-E436 PolarHBondContact N-OE2 3.06Å; M264-E436 HydrophobicContact SD-CB 3.74Å; M264-E436 HydrophobicContact SD-CG 3.75Å; M264-T439 HydrophobicContact CE-CG2 3.63Å; M264-T439 HydrophobicContact SD-CG2 4.19Å; M264-L440 HydrophobicContact SD-CD1 4.06Å; M264-L440 HydrophobicContact SD-CG 4.2Å
265Q89.3Confident93.8Very high53 Ų5348 Ų4825%0.24822%0.222CC..  trans-138.8157.5179.5-63.1-175.757.100111.7K263 T439K263-Q265 VanDerWaalsContact C-N 3.35Å; Q265-T439 PolarHBondContact NE2-OG1 3.49Å; Q265-T439 VanDerWaalsContact NE2-OG1 3.12Å
266T91.5Very high93.5Very high73 Ų7350.3 Ų50.345%0.44824%0.235SC..EExtended strand (participates in β ladder)trans-110.9126.2166.1-600000107.4
267H93Very high93.3Very high5 Ų553.5 Ų53.52%0.02325%0.252CS..EExtended strand (participates in β ladder)trans-108.1155.7178-57-77.7000110.5K257 I258 F260 L336 E436K257-H267 CarbonylContact C-O 3.47Å; K257-H267 WeakPolarHBondContact CA-O 3.39Å; I258-H267 HydrophobicContact CB-CB 4.39Å; I258-H267 PolarHBondContact N-O 3.04Å; I258-H267 PolarHBondContact O-N 3.33Å; F260-H267 AromaticContact CD2-CD2 3.9Å; F260-H267 AromaticContact CE2-CD2 3.71Å; H267-L336 HydrophobicContact CB-CD1 3.97Å; H267-L336 HydrophobicContact CB-CD2 4.13Å; H267-L336 HydrophobicContact CB-CG 4.46Å; H267-E436 IonicContact NE2-OE1 2.81Å
268T95.2Very high93Very high9 Ų952.8 Ų52.86%0.05526%0.256CS..EExtended strand (participates in β ladder)trans-111.2143.3170.361.10000110.1P256 D277 L336 K337 D339P256-T268 CarbonylContact O-C 3.55Å; P256-T268 VanDerWaalsContact O-CA 3.26Å; P256-T268 WeakPolarHBondContact O-CA 3.46Å; T268-D277 HydrophobicContact CG2-CB 4.28Å; T268-L336 CarbonylContact O-C 3.48Å; T268-L336 VanDerWaalsContact O-CA 3.29Å; T268-L336 WeakPolarHBondContact O-CA 3.26Å; T268-K337 PolarHBondContact O-N 2.84Å; T268-K337 WeakPolarHBondContact OG1-CB 3.21Å; T268-D339 PolarHBondContact OG1-OD1 2.97Å; T268-D339 PolarHBondContact OG1-OD2 2.55Å
269R96.4Very high92.8Very high61 Ų6152.7 Ų52.723%0.2326%0.257CS..BIsolated β-bridgetrans-73.4147.1178.1-67.1-167.7-179.4-80.50.7111.1M255 P256 I258 Y271 T272 W335M255-R269 WeakPolarHBondContact O-CD 3.47Å; M255-R269 PolarHBondContact O-NE 3.39Å; P256-R269 PolarHBondContact O-N 3.13Å; I258-R269 HydrophobicContact CD1-CG 4.04Å; I258-R269 HydrophobicContact CG1-CG 3.98Å; R269-Y271 VanDerWaalsContact C-N 3.34Å; R269-Y271 HydrophobicContact CB-CD1 3.73Å; R269-Y271 HydrophobicContact CB-CE1 3.59Å; R269-Y271 HydrophobicContact CG-CE1 4.34Å; R269-Y271 PolarHBondContact O-N 3.39Å; R269-T272 WeakPolarHBondContact O-CB 3.48Å; R269-T272 VanDerWaalsContact O-CG2 3.28Å; R269-T272 WeakPolarHBondContact O-CG2 3.19Å; R269-T272 PolarHBondContact O-N 2.99Å; R269-T272 VanDerWaalsContact O-N 3.09Å; R269-T272 PolarHBondContact O-OG1 2.83Å; R269-W335 CarbonylContact C-O 3.54Å; R269-W335 WeakPolarHBondContact CA-O 2.92Å
270Y95.8Very high92.7Very high6 Ų653.5 Ų53.52%0.02426%0.264CS..THydrogen-bonded Turntrans-58.2-39.3-172.3-172.2-101.2000114.2T272 K273 Y274 W335 K337 A354 Y355Y270-T272 PolarHBondContact O-N 3.34Å; Y270-K273 HydrophobicContact CE2-CD 4.35Å; Y270-K273 WeakPolarHBondContact O-CB 3.38Å; Y270-K273 PolarHBondContact O-N 2.86Å; Y270-Y274 HydrophobicContact CD1-CE2 4.34Å; Y270-Y274 AromaticContact CE1-CE2 3.89Å; Y270-Y274 HydrophobicContact CE1-CE2 3.89Å; Y270-Y274 PolarHBondContact OH-OH 3.24Å; Y270-W335 VanDerWaalsContact CB-CD1 3.44Å; Y270-W335 VanDerWaalsContact CB-CG 3.47Å; Y270-W335 AromaticContact CD1-CD2 3.86Å; Y270-W335 HydrophobicContact CD1-CD2 3.86Å; Y270-W335 AromaticContact CD1-CE2 3.34Å; Y270-W335 HydrophobicContact CD1-CE3 4.35Å; Y270-W335 HydrophobicContact CD1-CG 4.43Å; Y270-W335 AromaticContact CD1-CH2 3.95Å; Y270-W335 HydrophobicContact CD1-CH2 3.95Å; Y270-W335 AromaticContact CD1-CZ2 3.37Å; Y270-W335 HydrophobicContact CD1-CZ2 3.37Å; Y270-W335 HydrophobicContact CD1-CZ3 4.4Å; Y270-W335 AromaticContact CD1-NE1 3.72Å; Y270-W335 AromaticContact CD2-CD1 3.94Å; Y270-W335 AromaticContact CD2-CE2 3.97Å; Y270-W335 HydrophobicContact CD2-CZ2 4.44Å; Y270-W335 AromaticContact CD2-NE1 3.44Å; Y270-W335 AromaticContact CE1-CE2 3.78Å; Y270-W335 AromaticContact CE1-CH2 3.97Å; Y270-W335 HydrophobicContact CE1-CH2 3.97Å; Y270-W335 AromaticContact CE1-CZ2 3.35Å; Y270-W335 HydrophobicContact CE1-CZ2 3.35Å; Y270-W335 HydrophobicContact CE2-CZ2 4.44Å; Y270-W335 AromaticContact CE2-NE1 3.97Å; Y270-W335 AromaticContact CG-CD1 3.66Å; Y270-W335 AromaticContact CG-CD2 3.88Å; Y270-W335 HydrophobicContact CG-CD2 3.88Å; Y270-W335 AromaticContact CG-CE2 3.44Å; Y270-W335 VanDerWaalsContact CG-CE2 3.44Å; Y270-W335 AromaticContact CG-CG 3.98Å; Y270-W335 HydrophobicContact CG-CG 3.98Å; Y270-W335 AromaticContact CG-CZ2 3.94Å; Y270-W335 HydrophobicContact CG-CZ2 3.94Å; Y270-W335 AromaticContact CG-NE1 3.3Å; Y270-W335 VanDerWaalsContact CG-NE1 3.3Å; Y270-W335 AromaticContact CZ-CZ2 3.92Å; Y270-W335 PolarHBondContact N-O 3.23Å; Y270-K337 HydrophobicContact CD2-CG 4.39Å; Y270-A354 WeakPolarHBondContact CE2-O 3.21Å; Y270-A354 PolarHBondContact OH-O 2.79Å; Y270-Y355 WeakPolarHBondContact CE2-O 3.31Å
271Y95.9Very high92.8Very high7 Ų752.9 Ų52.93%0.02726%0.261CS..THydrogen-bonded Turntrans-58.3-23.6179.579.1-93.8000113.7S111 P113 D254 M255 P256 R269 K273 Y274 F275 I285S111-Y271 WeakPolarHBondContact O-CB 3.16Å; P113-Y271 HydrophobicContact CG-CD1 3.91Å; P113-Y271 HydrophobicContact CG-CD2 4.07Å; P113-Y271 HydrophobicContact CG-CE1 3.91Å; P113-Y271 HydrophobicContact CG-CE2 4.09Å; P113-Y271 HydrophobicContact CG-CG 4Å; D254-Y271 PolarHBondContact OD1-OH 3.39Å; M255-Y271 VanDerWaalsContact C-OH 3.3Å; M255-Y271 PolarHBondContact N-OH 3.43Å; P256-Y271 VanDerWaalsContact CA-OH 3.26Å; P256-Y271 WeakPolarHBondContact CA-OH 3.14Å; P256-Y271 VanDerWaalsContact N-OH 3.15Å; R269-Y271 VanDerWaalsContact C-N 3.34Å; R269-Y271 HydrophobicContact CB-CD1 3.73Å; R269-Y271 HydrophobicContact CB-CE1 3.59Å; R269-Y271 HydrophobicContact CG-CE1 4.34Å; R269-Y271 PolarHBondContact O-N 3.39Å; Y271-K273 PolarHBondContact O-N 3.09Å; Y271-K273 VanDerWaalsContact O-N 3.13Å; Y271-Y274 PolarHBondContact O-N 2.91Å; Y271-F275 HydrophobicContact CD2-CB 4.4Å; Y271-F275 PolarHBondContact O-N 3.44Å; Y271-I285 HydrophobicContact CD2-CD1 4.18Å; Y271-I285 HydrophobicContact CE2-CD1 3.94Å
272T95.7Very high92.9Very high5 Ų549.1 Ų49.13%0.03124%0.237CC..Hα-helixtrans-64-15.5176.668.60000112.3P256 R269 Y270 Y274 D276 D277 K337P256-T272 HydrophobicContact CB-CG2 3.46Å; P256-T272 VanDerWaalsContact CB-CG2 3.46Å; R269-T272 WeakPolarHBondContact O-CB 3.48Å; R269-T272 VanDerWaalsContact O-CG2 3.28Å; R269-T272 WeakPolarHBondContact O-CG2 3.19Å; R269-T272 PolarHBondContact O-N 2.99Å; R269-T272 VanDerWaalsContact O-N 3.09Å; R269-T272 PolarHBondContact O-OG1 2.83Å; Y270-T272 PolarHBondContact O-N 3.34Å; T272-Y274 PolarHBondContact O-N 3.5Å; T272-D276 WeakPolarHBondContact CA-O 3.18Å; T272-D276 WeakPolarHBondContact CB-O 3.38Å; T272-D276 WeakPolarHBondContact CG2-O 3.09Å; T272-D276 VanDerWaalsContact O-CA 3.25Å; T272-D276 WeakPolarHBondContact O-CA 3.35Å; T272-D276 PolarHBondContact O-N 2.89Å; T272-D277 HydrophobicContact CG2-CB 4.14Å; T272-K337 WeakPolarHBondContact OG1-CD 3.37Å
273K90.8Very high93Very high64 Ų6443 Ų4328%0.27822%0.217SC..Hα-helixtrans-56.8-28.9167.5-176.1170.4179169.50111.9Y270 Y271 K337 A354 E525Y270-K273 HydrophobicContact CE2-CD 4.35Å; Y270-K273 WeakPolarHBondContact O-CB 3.38Å; Y270-K273 PolarHBondContact O-N 2.86Å; Y271-K273 PolarHBondContact O-N 3.09Å; Y271-K273 VanDerWaalsContact O-N 3.13Å; K273-K337 HydrophobicContact CB-CD 4.31Å; K273-A354 PolarHBondContact NZ-O 2.9Å; K273-E525 VanDerWaalsContact CE-OE1 3.29Å; K273-E525 WeakPolarHBondContact CE-OE1 3.2Å; K273-E525 IonicContact NZ-OE1 2.86Å; K273-E525 PolarHBondContact NZ-OE1 3.28Å
274Y92.2Very high93.2Very high75 Ų7541.6 Ų41.629%0.29421%0.208SC..Hα-helixtrans-110-20.6-175.3-49.4-72.5000114R108 Y270 Y271 T272R108-Y274 HydrophobicContact CB-CD2 4.41Å; R108-Y274 HydrophobicContact CB-CE1 4Å; R108-Y274 HydrophobicContact CB-CE2 3.87Å; R108-Y274 HydrophobicContact CG-CD1 3.88Å; R108-Y274 HydrophobicContact CG-CD2 3.8Å; R108-Y274 HydrophobicContact CG-CE1 3.84Å; R108-Y274 HydrophobicContact CG-CE2 3.77Å; R108-Y274 HydrophobicContact CG-CG 3.85Å; Y270-Y274 HydrophobicContact CD1-CE2 4.34Å; Y270-Y274 AromaticContact CE1-CE2 3.89Å; Y270-Y274 HydrophobicContact CE1-CE2 3.89Å; Y270-Y274 PolarHBondContact OH-OH 3.24Å; Y271-Y274 PolarHBondContact O-N 2.91Å; T272-Y274 PolarHBondContact O-N 3.5Å
275F91.3Very high93.5Very high13 Ų1336.8 Ų36.86%0.05718%0.184CC..Hα-helixtrans-127.310.5-174.4-69.4-88.8000113.9L112 Y271 S281 R284 I285 Y288L112-F275 HydrophobicContact CD2-CD2 4.04Å; L112-F275 HydrophobicContact CD2-CE2 3.46Å; L112-F275 VanDerWaalsContact CD2-CE2 3.46Å; L112-F275 HydrophobicContact CD2-CZ 4.39Å; Y271-F275 HydrophobicContact CD2-CB 4.4Å; Y271-F275 PolarHBondContact O-N 3.44Å; F275-S281 WeakPolarHBondContact O-CB 3.48Å; F275-S281 PolarHBondContact O-OG 3.2Å; F275-R284 HydrophobicContact CD1-CB 4.25Å; F275-R284 HydrophobicContact CE1-CB 4.42Å; F275-R284 PolarHBondContact O-NH2 3.35Å; F275-I285 HydrophobicContact CB-CD1 4.42Å; F275-I285 HydrophobicContact CB-CG1 4.24Å; F275-I285 HydrophobicContact CD1-CG1 3.52Å; F275-I285 HydrophobicContact CD2-CG1 4.15Å; F275-I285 HydrophobicContact CE1-CB 4.44Å; F275-I285 HydrophobicContact CE1-CG1 3.83Å; F275-I285 HydrophobicContact CE2-CG1 4.44Å; F275-I285 HydrophobicContact CG-CD1 4.33Å; F275-I285 HydrophobicContact CG-CG1 3.7Å; F275-I285 HydrophobicContact CZ-CG1 4.28Å; F275-Y288 HydrophobicContact CE1-CG 4.35Å; F275-Y288 AromaticContact CZ-CD1 3.94Å; F275-Y288 HydrophobicContact CZ-CD1 3.94Å; F275-Y288 HydrophobicContact CZ-CD2 4.17Å; F275-Y288 AromaticContact CZ-CG 3.72Å; F275-Y288 HydrophobicContact CZ-CG 3.72Å
276D89.8Confident94Very high62 Ų6234.2 Ų34.233%0.33217%0.172SC..  trans60.7173.6-171.676.953.5000115.5T272 S278 S281 R284T272-D276 WeakPolarHBondContact CA-O 3.18Å; T272-D276 WeakPolarHBondContact CB-O 3.38Å; T272-D276 WeakPolarHBondContact CG2-O 3.09Å; T272-D276 VanDerWaalsContact O-CA 3.25Å; T272-D276 WeakPolarHBondContact O-CA 3.35Å; T272-D276 PolarHBondContact O-N 2.89Å; D276-S278 VanDerWaalsContact OD1-CB 3.25Å; D276-S278 WeakPolarHBondContact OD1-CB 3.2Å; D276-S278 PolarHBondContact OD1-N 2.68Å; D276-S278 VanDerWaalsContact OD1-N 3.1Å; D276-S278 PolarHBondContact OD1-OG 3.37Å; D276-S281 PolarHBondContact OD1-OG 2.81Å; D276-S281 VanDerWaalsContact OD1-OG 3.09Å; D276-R284 IonicContact OD1-NH2 2.75Å; D276-R284 IonicContact OD2-CZ 2.72Å; D276-R284 IonicContact OD2-NH1 3.18Å; D276-R284 IonicContact OD2-NH2 2.86Å; D276-R284 PolarHBondContact OD2-NH2 3.13Å
277D91.4Very high94.3Very high67 Ų6732.4 Ų32.436%0.35816%0.158SC..SBendtrans-113.320-17271.7-25.3000113.6P256 T268 T272 G279P256-D277 HydrophobicContact CB-CB 4.19Å; T268-D277 HydrophobicContact CG2-CB 4.28Å; T272-D277 HydrophobicContact CG2-CB 4.14Å; D277-G279 PolarHBondContact O-N 2.95Å
278S90.1Very high94.5Very high59 Ų5933 Ų3341%0.41316%0.161SC..SBendtrans-66.8-34.2-177.460.50000113.6D276 D280D276-S278 VanDerWaalsContact OD1-CB 3.25Å; D276-S278 WeakPolarHBondContact OD1-CB 3.2Å; D276-S278 PolarHBondContact OD1-N 2.68Å; D276-S278 VanDerWaalsContact OD1-N 3.1Å; D276-S278 PolarHBondContact OD1-OG 3.37Å; S278-D280 PolarHBondContact OG-N 3.25Å
279G88.2Confident94.7Very high7 Ų732.6 Ų32.67%0.07216%0.158CC..SBendtrans89.47.7-170.500000113.9D254 D277D254-G279 VanDerWaalsContact OD2-CA 3.32Å; D254-G279 WeakPolarHBondContact OD2-CA 3.44Å; D277-G279 PolarHBondContact O-N 2.95Å
280D91.2Very high94.7Very high83 Ų8329.9 Ų29.944%0.44415%0.148SC..  trans-115.414.5-179.4-72.3-42.5000113.2R168 D254 S278R168-D280 IonicContact CZ-OD1 2.72Å; R168-D280 IonicContact NH1-OD1 3.72Å; R168-D280 PolarHBondContact NH1-OD1 3.22Å; R168-D280 IonicContact NH1-OD2 3.99Å; R168-D280 IonicContact NH2-OD1 3.98Å; R168-D280 PolarHBondContact NH2-OD1 3.27Å; D254-D280 PolarHBondContact OD2-N 3.08Å; S278-D280 PolarHBondContact OG-N 3.25Å
281S96.1Very high94.8Very high0 Ų035.2 Ų35.20%017%0.168CC..  trans-91.6-8.7-171.7-65.20000114.1D254 F275 D276 R284 I285D254-S281 WeakPolarHBondContact OD2-CA 3.18Å; D254-S281 WeakPolarHBondContact OD2-CB 3.47Å; D254-S281 PolarHBondContact OD2-N 2.95Å; F275-S281 WeakPolarHBondContact O-CB 3.48Å; F275-S281 PolarHBondContact O-OG 3.2Å; D276-S281 PolarHBondContact OD1-OG 2.81Å; D276-S281 VanDerWaalsContact OD1-OG 3.09Å; S281-R284 PolarHBondContact O-N 3.35Å; S281-R284 PolarHBondContact OG-NH2 3.22Å; S281-I285 WeakPolarHBondContact O-CG1 3.42Å; S281-I285 PolarHBondContact O-N 2.7Å
282G96.8Very high94.8Very high0 Ų037 Ų370%018%0.177CC..Hα-helixtrans-42.2-52.1176.100000115.4N179 D254 R284 I285 C286N179-G282 VanDerWaalsContact ND2-CA 3.35Å; N179-G282 WeakPolarHBondContact ND2-CA 3.33Å; D254-G282 PolarHBondContact OD2-N 2.73Å; G282-R284 VanDerWaalsContact C-N 3.35Å; G282-R284 PolarHBondContact O-N 2.81Å; G282-I285 PolarHBondContact O-N 2.95Å; G282-C286 PolarHBondContact O-N 3.31Å; G282-C286 PolarHBondContact O-SG 2.76Å; G282-C286 VanDerWaalsContact O-SG 3.41Å
283P97.4Very high94.8Very high23 Ų2337.4 Ų37.415%0.14918%0.178CC..Hα-helixtrans-60.9-38.4178.2-26.236.5000114I157 E159 C286 E287I157-P283 HydrophobicContact CB-CB 4.46Å; I157-P283 HydrophobicContact CB-CG 4.31Å; I157-P283 HydrophobicContact CD1-CB 4.07Å; I157-P283 HydrophobicContact CD1-CG 4.07Å; I157-P283 HydrophobicContact CG2-CG 3.97Å; E159-P283 HydrophobicContact CB-CB 3.94Å; E159-P283 HydrophobicContact CG-CB 4.28Å; P283-C286 WeakPolarHBondContact O-CB 3.37Å; P283-C286 PolarHBondContact O-N 3.11Å; P283-E287 PolarHBondContact O-N 3.18Å
284R97.9Very high95.1Very high100 Ų10037.4 Ų37.438%0.37719%0.186SC..Hα-helixtrans-69.3-35.3176.3-69.7-174.2-65.2171.2-2.4111.8E159 F275 D276 S281 G282 E287 Y288E159-R284 HydrophobicContact CG-CG 4.19Å; F275-R284 HydrophobicContact CD1-CB 4.25Å; F275-R284 HydrophobicContact CE1-CB 4.42Å; F275-R284 PolarHBondContact O-NH2 3.35Å; D276-R284 IonicContact OD1-NH2 2.75Å; D276-R284 IonicContact OD2-CZ 2.72Å; D276-R284 IonicContact OD2-NH1 3.18Å; D276-R284 IonicContact OD2-NH2 2.86Å; D276-R284 PolarHBondContact OD2-NH2 3.13Å; S281-R284 PolarHBondContact O-N 3.35Å; S281-R284 PolarHBondContact OG-NH2 3.22Å; G282-R284 VanDerWaalsContact C-N 3.35Å; G282-R284 PolarHBondContact O-N 2.81Å; R284-E287 PolarHBondContact O-N 3.13Å; R284-Y288 WeakPolarHBondContact O-CB 3.18Å; R284-Y288 PolarHBondContact O-N 3.05Å
285I98.2Very high95.2Very high0 Ų035.7 Ų35.70%018%0.183CC..Hα-helixtrans-64.4-42.8172.9-61.9167.9000109.8P113 C114 A252 D254 Y271 F275 S281 G282 Y288 A289P113-I285 HydrophobicContact CG-CD1 4.16Å; C114-I285 HydrophobicContact CB-CG2 4.05Å; A252-I285 HydrophobicContact CB-CB 4.1Å; A252-I285 HydrophobicContact CB-CG2 3.7Å; D254-I285 HydrophobicContact CB-CD1 4.48Å; Y271-I285 HydrophobicContact CD2-CD1 4.18Å; Y271-I285 HydrophobicContact CE2-CD1 3.94Å; F275-I285 HydrophobicContact CB-CD1 4.42Å; F275-I285 HydrophobicContact CB-CG1 4.24Å; F275-I285 HydrophobicContact CD1-CG1 3.52Å; F275-I285 HydrophobicContact CD2-CG1 4.15Å; F275-I285 HydrophobicContact CE1-CB 4.44Å; F275-I285 HydrophobicContact CE1-CG1 3.83Å; F275-I285 HydrophobicContact CE2-CG1 4.44Å; F275-I285 HydrophobicContact CG-CD1 4.33Å; F275-I285 HydrophobicContact CG-CG1 3.7Å; F275-I285 HydrophobicContact CZ-CG1 4.28Å; S281-I285 WeakPolarHBondContact O-CG1 3.42Å; S281-I285 PolarHBondContact O-N 2.7Å; G282-I285 PolarHBondContact O-N 2.95Å; I285-Y288 PolarHBondContact O-N 2.65Å; I285-A289 VanDerWaalsContact O-CB 3.3Å; I285-A289 WeakPolarHBondContact O-CB 3.43Å; I285-A289 PolarHBondContact O-N 2.83Å
286C98.5Very high95.4Very high0 Ų035.1 Ų35.10%018%0.181CC..Hα-helixtrans-58.7-48.8174.9-69.70000112.7A162 N179 A181 V250 G282 P283 A289 L290A162-C286 HydrophobicContact CB-CB 4.19Å; N179-C286 VanDerWaalsContact CB-SG 3.56Å; A181-C286 HydrophobicContact CB-CB 4.1Å; V250-C286 HydrophobicContact CG1-CB 3.61Å; G282-C286 PolarHBondContact O-N 3.31Å; G282-C286 PolarHBondContact O-SG 2.76Å; G282-C286 VanDerWaalsContact O-SG 3.41Å; P283-C286 WeakPolarHBondContact O-CB 3.37Å; P283-C286 PolarHBondContact O-N 3.11Å; C286-A289 PolarHBondContact O-N 2.8Å; C286-L290 WeakPolarHBondContact O-CG 3.3Å; C286-L290 PolarHBondContact O-N 3.25Å; C286-L290 VanDerWaalsContact O-N 3.07Å
287E98.3Very high95.7Very high35 Ų3533.6 Ų33.616%0.16417%0.172CC..Hα-helixtrans-59.3-47.3176.8-173-78.3154.400111.4E159 A162 P283 R284 A289 L290 R291E159-E287 HydrophobicContact CG-CB 4.02Å; E159-E287 WeakPolarHBondContact O-CG 3.22Å; A162-E287 HydrophobicContact CB-CB 4.19Å; P283-E287 PolarHBondContact O-N 3.18Å; R284-E287 PolarHBondContact O-N 3.13Å; E287-A289 PolarHBondContact O-N 3.02Å; E287-L290 PolarHBondContact O-N 2.98Å; E287-R291 WeakPolarHBondContact O-CB 3.28Å; E287-R291 PolarHBondContact O-N 3.34Å; E287-R291 VanDerWaalsContact O-N 3.08Å; E287-R291 IonicContact OE1-CZ 2.66Å; E287-R291 IonicContact OE1-NH1 3.66Å; E287-R291 PolarHBondContact OE1-NH1 2.74Å; E287-R291 IonicContact OE2-CZ 3.64Å; E287-R291 IonicContact OE2-NH1 2.82Å; E287-R291 PolarHBondContact OE2-NH1 3.07Å
288Y98.1Very high95.8Very high18 Ų1838 Ų387%0.07118%0.183CC..Hα-helixtrans-60.8-46.9-179.7-174.6-92000111.5R108 E109 L112 F275 R284 I285 R291 Q292 W296R108-Y288 PolarHBondContact NE-OH 2.84Å; R108-Y288 PolarHBondContact NH1-OH 3.44Å; R108-Y288 VanDerWaalsContact NH2-CE2 3.26Å; R108-Y288 PolarHBondContact NH2-OH 3.24Å; E109-Y288 PolarHBondContact OE1-OH 2.77Å; E109-Y288 WeakPolarHBondContact OE2-CE1 3.17Å; L112-Y288 HydrophobicContact CD1-CD1 3.91Å; L112-Y288 HydrophobicContact CD1-CE1 3.75Å; F275-Y288 HydrophobicContact CE1-CG 4.35Å; F275-Y288 AromaticContact CZ-CD1 3.94Å; F275-Y288 HydrophobicContact CZ-CD1 3.94Å; F275-Y288 HydrophobicContact CZ-CD2 4.17Å; F275-Y288 AromaticContact CZ-CG 3.72Å; F275-Y288 HydrophobicContact CZ-CG 3.72Å; R284-Y288 WeakPolarHBondContact O-CB 3.18Å; R284-Y288 PolarHBondContact O-N 3.05Å; I285-Y288 PolarHBondContact O-N 2.65Å; Y288-R291 PolarHBondContact O-N 2.98Å; Y288-Q292 HydrophobicContact CD1-CB 4.5Å; Y288-Q292 HydrophobicContact CD1-CG 4.03Å; Y288-Q292 HydrophobicContact CD2-CG 4.31Å; Y288-Q292 HydrophobicContact CE1-CB 4.23Å; Y288-Q292 HydrophobicContact CE1-CG 3.68Å; Y288-Q292 HydrophobicContact CE2-CG 3.97Å; Y288-Q292 HydrophobicContact CG-CG 4.33Å; Y288-Q292 WeakPolarHBondContact O-CB 3.34Å; Y288-Q292 WeakPolarHBondContact O-CG 3.47Å; Y288-Q292 PolarHBondContact O-N 2.94Å; Y288-W296 HydrophobicContact CD1-CZ2 4.32Å; Y288-W296 HydrophobicContact CE1-CZ2 4.24Å
289A97.9Very high96Very high0 Ų037.2 Ų37.20%017%0.174CC..Hα-helixtrans-62.1-47.9-179.600000112.3V116 V250 I285 C286 E287 R291 Q292 Y293 W296V116-A289 HydrophobicContact CG2-CB 3.94Å; V250-A289 HydrophobicContact CG2-CB 3.83Å; I285-A289 VanDerWaalsContact O-CB 3.3Å; I285-A289 WeakPolarHBondContact O-CB 3.43Å; I285-A289 PolarHBondContact O-N 2.83Å; C286-A289 PolarHBondContact O-N 2.8Å; E287-A289 PolarHBondContact O-N 3.02Å; A289-R291 PolarHBondContact O-N 2.7Å; A289-Q292 PolarHBondContact O-N 2.97Å; A289-Q292 VanDerWaalsContact O-N 3.09Å; A289-Y293 WeakPolarHBondContact O-CB 3.46Å; A289-Y293 PolarHBondContact O-N 3.26Å; A289-W296 VanDerWaalsContact CA-CH2 3.47Å; A289-W296 HydrophobicContact CB-CH2 3.55Å; A289-W296 HydrophobicContact CB-CZ3 4.08Å
290L98.1Very high96.3Very high3 Ų336.9 Ų36.92%0.01617%0.171CC..Hα-helixtrans-62-27.4176.5-70.2172.2000112.5A162 R183 E248 V250 C286 E287 Y293A162-L290 HydrophobicContact CB-CD1 3.9Å; R183-L290 HydrophobicContact CB-CD1 4.14Å; R183-L290 HydrophobicContact CB-CD2 4.28Å; E248-L290 HydrophobicContact CB-CD2 4.03Å; V250-L290 HydrophobicContact CB-CD2 4.07Å; V250-L290 HydrophobicContact CB-CG 4.09Å; V250-L290 HydrophobicContact CG1-CD1 3.81Å; V250-L290 HydrophobicContact CG1-CD2 4.11Å; V250-L290 HydrophobicContact CG1-CG 3.74Å; C286-L290 WeakPolarHBondContact O-CG 3.3Å; C286-L290 PolarHBondContact O-N 3.25Å; C286-L290 VanDerWaalsContact O-N 3.07Å; E287-L290 PolarHBondContact O-N 2.98Å; L290-Y293 WeakPolarHBondContact O-CD1 3.49Å
291R96.9Very high96.5Very high119 Ų11935.2 Ų35.245%0.44916%0.162SC..Hα-helixtrans-80.4-31.1174.5-167.2178.267.2-134.5-0.3113.2E287 Y288 A289E287-R291 WeakPolarHBondContact O-CB 3.28Å; E287-R291 PolarHBondContact O-N 3.34Å; E287-R291 VanDerWaalsContact O-N 3.08Å; E287-R291 IonicContact OE1-CZ 2.66Å; E287-R291 IonicContact OE1-NH1 3.66Å; E287-R291 PolarHBondContact OE1-NH1 2.74Å; E287-R291 IonicContact OE2-CZ 3.64Å; E287-R291 IonicContact OE2-NH1 2.82Å; E287-R291 PolarHBondContact OE2-NH1 3.07Å; Y288-R291 PolarHBondContact O-N 2.98Å; A289-R291 PolarHBondContact O-N 2.7Å
292Q95.8Very high96.3Very high44 Ų4437.9 Ų37.921%0.20618%0.183CC..Hα-helixtrans-104.9-16.7-168.8-66.1-52-67.200115.2Y288 A289 S294 T295 W296Y288-Q292 HydrophobicContact CD1-CB 4.5Å; Y288-Q292 HydrophobicContact CD1-CG 4.03Å; Y288-Q292 HydrophobicContact CD2-CG 4.31Å; Y288-Q292 HydrophobicContact CE1-CB 4.23Å; Y288-Q292 HydrophobicContact CE1-CG 3.68Å; Y288-Q292 HydrophobicContact CE2-CG 3.97Å; Y288-Q292 HydrophobicContact CG-CG 4.33Å; Y288-Q292 WeakPolarHBondContact O-CB 3.34Å; Y288-Q292 WeakPolarHBondContact O-CG 3.47Å; Y288-Q292 PolarHBondContact O-N 2.94Å; A289-Q292 PolarHBondContact O-N 2.97Å; A289-Q292 VanDerWaalsContact O-N 3.09Å; Q292-S294 VanDerWaalsContact C-N 3.26Å; Q292-S294 PolarHBondContact O-N 2.84Å; Q292-S294 VanDerWaalsContact O-N 3.1Å; Q292-T295 WeakPolarHBondContact O-CA 3.43Å; Q292-T295 VanDerWaalsContact O-CB 3.28Å; Q292-T295 WeakPolarHBondContact O-CB 3.19Å; Q292-T295 PolarHBondContact O-N 3.11Å; Q292-W296 HydrophobicContact CB-CD2 4.48Å; Q292-W296 HydrophobicContact CB-CZ2 3.85Å; Q292-W296 PolarHBondContact O-N 2.91Å; Q292-W296 VanDerWaalsContact O-N 3.1Å
293Y96.4Very high96.1Very high14 Ų1440 Ų406%0.05519%0.192CC..Hα-helixtrans-56.8-35-171.284.1-89.2000114.5V116 V118 E248 A289 L290 T295 W296 E297V116-Y293 HydrophobicContact CB-CG 4.39Å; V116-Y293 HydrophobicContact CG1-CD1 4.04Å; V116-Y293 HydrophobicContact CG1-CD2 4.19Å; V116-Y293 HydrophobicContact CG1-CG 3.77Å; V118-Y293 HydrophobicContact CG2-CD2 3.86Å; V118-Y293 HydrophobicContact CG2-CE2 3.46Å; V118-Y293 VanDerWaalsContact CG2-CE2 3.46Å; E248-Y293 HydrophobicContact CG-CE1 4.25Å; E248-Y293 PolarHBondContact OE1-OH 3.25Å; E248-Y293 WeakPolarHBondContact OE2-CE1 3.36Å; A289-Y293 WeakPolarHBondContact O-CB 3.46Å; A289-Y293 PolarHBondContact O-N 3.26Å; L290-Y293 WeakPolarHBondContact O-CD1 3.49Å; Y293-T295 VanDerWaalsContact C-N 3.26Å; Y293-T295 PolarHBondContact O-N 3.18Å; Y293-W296 VanDerWaalsContact CA-CE3 3.47Å; Y293-W296 CarbonylContact O-C 3.57Å; Y293-W296 WeakPolarHBondContact O-CA 3.34Å; Y293-W296 VanDerWaalsContact O-CB 3.32Å; Y293-W296 WeakPolarHBondContact O-CB 3.39Å; Y293-W296 PolarHBondContact O-N 2.59Å; Y293-E297 PolarHBondContact O-N 3.15Å
294S95.9Very high96Very high64 Ų6438.9 Ų38.945%0.44818%0.184SC..Hα-helixtrans-65.6-31.9176.961.20000112.2Q292 R298Q292-S294 VanDerWaalsContact C-N 3.26Å; Q292-S294 PolarHBondContact O-N 2.84Å; Q292-S294 VanDerWaalsContact O-N 3.1Å; S294-R298 PolarHBondContact O-N 3.45Å
295T95Very high96Very high39 Ų3940.1 Ų40.124%0.23919%0.189CC..Hα-helixtrans-68.9-42170.5-66.80000110.4Q292 Y293 R298 L299Q292-T295 WeakPolarHBondContact O-CA 3.43Å; Q292-T295 VanDerWaalsContact O-CB 3.28Å; Q292-T295 WeakPolarHBondContact O-CB 3.19Å; Q292-T295 PolarHBondContact O-N 3.11Å; Y293-T295 VanDerWaalsContact C-N 3.26Å; Y293-T295 PolarHBondContact O-N 3.18Å; T295-R298 PolarHBondContact O-N 2.91Å; T295-L299 HydrophobicContact CG2-CD1 3.96Å; T295-L299 HydrophobicContact CG2-CG 4.34Å; T295-L299 WeakPolarHBondContact O-CG 3.1Å; T295-L299 PolarHBondContact O-N 2.65Å
296W95.6Very high95.9Very high1 Ų144.3 Ų44.30%0.00422%0.216CC..Hα-helixtrans-59-48175.5-53.6-26.1000111.6P101 I103 E109 L112 V116 Y288 A289 Q292 Y293 R298 L299 I300P101-W296 HydrophobicContact CB-CD2 3.66Å; P101-W296 HydrophobicContact CB-CE3 3.76Å; P101-W296 HydrophobicContact CB-CG 4.1Å; P101-W296 HydrophobicContact CB-CH2 4.19Å; P101-W296 HydrophobicContact CB-CZ2 4.11Å; P101-W296 HydrophobicContact CB-CZ3 4.03Å; P101-W296 HydrophobicContact CG-CE3 4.33Å; P101-W296 HydrophobicContact CG-CH2 4.15Å; P101-W296 HydrophobicContact CG-CZ2 4.42Å; P101-W296 HydrophobicContact CG-CZ3 4.11Å; I103-W296 HydrophobicContact CD1-CB 3.97Å; I103-W296 HydrophobicContact CD1-CG 4.2Å; E109-W296 PolarHBondContact OE2-NE1 3.42Å; L112-W296 HydrophobicContact CD1-CH2 4.18Å; L112-W296 HydrophobicContact CD1-CZ2 3.72Å; V116-W296 HydrophobicContact CG2-CZ3 3.99Å; Y288-W296 HydrophobicContact CD1-CZ2 4.32Å; Y288-W296 HydrophobicContact CE1-CZ2 4.24Å; A289-W296 VanDerWaalsContact CA-CH2 3.47Å; A289-W296 HydrophobicContact CB-CH2 3.55Å; A289-W296 HydrophobicContact CB-CZ3 4.08Å; Q292-W296 HydrophobicContact CB-CD2 4.48Å; Q292-W296 HydrophobicContact CB-CZ2 3.85Å; Q292-W296 PolarHBondContact O-N 2.91Å; Q292-W296 VanDerWaalsContact O-N 3.1Å; Y293-W296 VanDerWaalsContact CA-CE3 3.47Å; Y293-W296 CarbonylContact O-C 3.57Å; Y293-W296 WeakPolarHBondContact O-CA 3.34Å; Y293-W296 VanDerWaalsContact O-CB 3.32Å; Y293-W296 WeakPolarHBondContact O-CB 3.39Å; Y293-W296 PolarHBondContact O-N 2.59Å; W296-R298 VanDerWaalsContact C-N 3.29Å; W296-R298 PolarHBondContact O-N 2.61Å; W296-L299 PolarHBondContact O-N 3.05Å; W296-L299 VanDerWaalsContact O-N 3.15Å; W296-I300 HydrophobicContact CB-CD1 4.44Å; W296-I300 WeakPolarHBondContact O-CB 3.48Å; W296-I300 WeakPolarHBondContact O-CD1 3.49Å; W296-I300 WeakPolarHBondContact O-CG1 3.3Å; W296-I300 PolarHBondContact O-N 3.16Å
297E95.3Very high95.8Very high30 Ų3044.7 Ų44.714%0.1422%0.218CC..Hα-helixtrans-56.9-42.9177.2-75.5-169.6110.900112.1R97 V99 Y293 I300 D301R97-E297 IonicContact NH1-OE1 3.66Å; R97-E297 PolarHBondContact NH1-OE1 2.8Å; R97-E297 IonicContact NH1-OE2 3.49Å; R97-E297 PolarHBondContact NH1-OE2 3.48Å; V99-E297 HydrophobicContact CG1-CG 4.06Å; V99-E297 HydrophobicContact CG2-CG 3.86Å; Y293-E297 PolarHBondContact O-N 3.15Å; E297-I300 PolarHBondContact O-N 3.41Å; E297-D301 WeakPolarHBondContact O-CB 3.25Å; E297-D301 PolarHBondContact O-N 3.42Å
298R95.1Very high95.8Very high159 Ų15945.1 Ų45.160%0.622%0.222SC*.Hα-helixtrans-64.8-41.7177.3178.1177.454.5114.61.5112.3S294 T295 W296 A302S294-R298 PolarHBondContact O-N 3.45Å; T295-R298 PolarHBondContact O-N 2.91Å; W296-R298 VanDerWaalsContact C-N 3.29Å; W296-R298 PolarHBondContact O-N 2.61Å; R298-A302 VanDerWaalsContact O-CB 3.28Å; R298-A302 WeakPolarHBondContact O-CB 3.32Å; R298-A302 PolarHBondContact O-N 3.43Å
299L92.6Very high95.8Very high43 Ų4349.7 Ų49.723%0.22525%0.247CC..Hα-helixtrans-67-42.8176.4-69.5171.8000110.8I103 E106 T295 W296 A302 W303I103-L299 HydrophobicContact CD1-CB 4.2Å; I103-L299 HydrophobicContact CD1-CD1 4.22Å; I103-L299 HydrophobicContact CG2-CB 3.99Å; E106-L299 HydrophobicContact CG-CD1 4.39Å; T295-L299 HydrophobicContact CG2-CD1 3.96Å; T295-L299 HydrophobicContact CG2-CG 4.34Å; T295-L299 WeakPolarHBondContact O-CG 3.1Å; T295-L299 PolarHBondContact O-N 2.65Å; W296-L299 PolarHBondContact O-N 3.05Å; W296-L299 VanDerWaalsContact O-N 3.15Å; L299-A302 PolarHBondContact O-N 3.35Å; L299-W303 PolarHBondContact O-N 3.25Å; L299-W303 VanDerWaalsContact O-N 3.17Å
300I95.1Very high95.7Very high0 Ų050.7 Ų50.70%025%0.253CS..Hα-helixtrans-58.3-50.9176.5-67.5160.3000110.3P79 R80 V99 I103 W296 E297 A302 W303 Q304P79-I300 HydrophobicContact CG-CD1 3.73Å; P79-I300 HydrophobicContact CG-CG1 4.01Å; P79-I300 HydrophobicContact CG-CG2 4.23Å; R80-I300 HydrophobicContact CG-CD1 4.25Å; R80-I300 HydrophobicContact CG-CG2 4.3Å; V99-I300 HydrophobicContact CG1-CD1 4.03Å; I103-I300 HydrophobicContact CD1-CG1 4.44Å; I103-I300 HydrophobicContact CG1-CD1 4.44Å; I103-I300 HydrophobicContact CG1-CG1 3.8Å; W296-I300 HydrophobicContact CB-CD1 4.44Å; W296-I300 WeakPolarHBondContact O-CB 3.48Å; W296-I300 WeakPolarHBondContact O-CD1 3.49Å; W296-I300 WeakPolarHBondContact O-CG1 3.3Å; W296-I300 PolarHBondContact O-N 3.16Å; E297-I300 PolarHBondContact O-N 3.41Å; I300-A302 VanDerWaalsContact C-N 3.32Å; I300-A302 PolarHBondContact O-N 3.34Å; I300-W303 PolarHBondContact O-N 3.36Å; I300-W303 PolarHBondContact O-NE1 3.35Å; I300-Q304 HydrophobicContact CG2-CG 4.43Å; I300-Q304 VanDerWaalsContact O-CG 3.29Å; I300-Q304 WeakPolarHBondContact O-CG 3.27Å; I300-Q304 PolarHBondContact O-N 2.96Å; I300-Q304 VanDerWaalsContact O-N 3.14Å
301D94.8Very high95.6Very high48 Ų4859.7 Ų59.726%0.25729%0.294SS..Hα-helixtrans-60.4-43.2177.1-172.977.2000111.7E297 W303 Q304 R305E297-D301 WeakPolarHBondContact O-CB 3.25Å; E297-D301 PolarHBondContact O-N 3.42Å; D301-W303 VanDerWaalsContact C-N 3.34Å; D301-W303 PolarHBondContact O-N 3.04Å; D301-Q304 PolarHBondContact O-N 2.96Å; D301-R305 WeakPolarHBondContact O-CB 3.36Å; D301-R305 PolarHBondContact O-N 2.88Å; D301-R305 IonicContact OD2-CZ 3.45Å; D301-R305 VanDerWaalsContact OD2-CZ 3.23Å; D301-R305 IonicContact OD2-NE 2.72Å; D301-R305 PolarHBondContact OD2-NE 3.15Å; D301-R305 IonicContact OD2-NH2 3.34Å; D301-R305 PolarHBondContact OD2-NH2 3.2Å
302A92.1Very high95.5Very high55 Ų5559.1 Ų59.146%0.45530%0.304SS..Hα-helixtrans-59.6-39.9-17800000113.5R298 L299 I300 P306R298-A302 VanDerWaalsContact O-CB 3.28Å; R298-A302 WeakPolarHBondContact O-CB 3.32Å; R298-A302 PolarHBondContact O-N 3.43Å; L299-A302 PolarHBondContact O-N 3.35Å; I300-A302 VanDerWaalsContact C-N 3.32Å; I300-A302 PolarHBondContact O-N 3.34Å; A302-P306 VanDerWaalsContact O-CD 3.32Å; A302-P306 WeakPolarHBondContact O-CD 3.45Å
303W92.3Very high95.6Very high45 Ų4557.4 Ų57.417%0.1730%0.296CS..Hα-helixtrans-81.7-28178.778-100.7000113P104 L299 I300 D301 F322 L325 W785P104-W303 HydrophobicContact CG-CD2 3.74Å; P104-W303 HydrophobicContact CG-CE3 3.93Å; P104-W303 HydrophobicContact CG-CG 4.02Å; P104-W303 HydrophobicContact CG-CZ2 4.46Å; P104-W303 HydrophobicContact CG-CZ3 4.29Å; L299-W303 PolarHBondContact O-N 3.25Å; L299-W303 VanDerWaalsContact O-N 3.17Å; I300-W303 PolarHBondContact O-N 3.36Å; I300-W303 PolarHBondContact O-NE1 3.35Å; D301-W303 VanDerWaalsContact C-N 3.34Å; D301-W303 PolarHBondContact O-N 3.04Å; W303-F322 HydrophobicContact CE3-CD1 4.45Å; W303-F322 AromaticContact CE3-CE1 3.84Å; W303-F322 HydrophobicContact CE3-CE1 3.84Å; W303-F322 AromaticContact CH2-CD1 3.33Å; W303-F322 HydrophobicContact CH2-CD1 3.33Å; W303-F322 AromaticContact CH2-CE1 3.58Å; W303-F322 HydrophobicContact CH2-CE1 3.58Å; W303-F322 HydrophobicContact CH2-CG 4.46Å; W303-F322 HydrophobicContact CZ2-CD1 4.31Å; W303-F322 AromaticContact CZ3-CD1 3.44Å; W303-F322 HydrophobicContact CZ3-CD1 3.44Å; W303-F322 VanDerWaalsContact CZ3-CD1 3.44Å; W303-F322 AromaticContact CZ3-CE1 3.19Å; W303-F322 HydrophobicContact CZ3-CE1 3.19Å; W303-F322 HydrophobicContact CZ3-CZ 4.41Å; W303-L325 HydrophobicContact CH2-CD1 3.75Å; W303-L325 HydrophobicContact CZ3-CD1 4.27Å; W303-W785 AromaticContact CZ3-CH2 3.79Å; W303-W785 HydrophobicContact CZ3-CH2 3.79Å; W303-W785 AromaticContact CZ3-CZ2 3.96Å; W303-W785 HydrophobicContact CZ3-CZ2 3.96Å
304Q97Very high95.6Very high0 Ų058.8 Ų58.80%031%0.307CS..Hα-helixtrans-78.9-35.1177.6-66.9-174.9-33.600112.6Y78 I300 D301 P306 I307 L308 F322Y78-Q304 PolarHBondContact O-NE2 3.19Å; I300-Q304 HydrophobicContact CG2-CG 4.43Å; I300-Q304 VanDerWaalsContact O-CG 3.29Å; I300-Q304 WeakPolarHBondContact O-CG 3.27Å; I300-Q304 PolarHBondContact O-N 2.96Å; I300-Q304 VanDerWaalsContact O-N 3.14Å; D301-Q304 PolarHBondContact O-N 2.96Å; Q304-P306 VanDerWaalsContact C-CD 3.47Å; Q304-I307 PolarHBondContact O-N 3.2Å; Q304-I307 VanDerWaalsContact O-N 3.08Å; Q304-L308 HydrophobicContact CB-CD1 3.77Å; Q304-L308 HydrophobicContact CB-CG 4.26Å; Q304-L308 WeakPolarHBondContact O-CG 3.48Å; Q304-L308 PolarHBondContact O-N 2.91Å; Q304-F322 HydrophobicContact CB-CE1 4.06Å; Q304-F322 HydrophobicContact CB-CE2 4.08Å; Q304-F322 HydrophobicContact CB-CZ 3.65Å; Q304-F322 HydrophobicContact CG-CD1 4Å; Q304-F322 HydrophobicContact CG-CE1 3.65Å; Q304-F322 HydrophobicContact CG-CE2 4.25Å; Q304-F322 HydrophobicContact CG-CG 4.43Å; Q304-F322 HydrophobicContact CG-CZ 3.75Å
305R97Very high95.6Very high126 Ų12661.8 Ų61.848%0.47532%0.318SS..Hα-helixtrans-53.6-42.3-171.5-174.1-170.6-58.7174.5-1.5114.5D301 I307 L308 N309D301-R305 WeakPolarHBondContact O-CB 3.36Å; D301-R305 PolarHBondContact O-N 2.88Å; D301-R305 IonicContact OD2-CZ 3.45Å; D301-R305 VanDerWaalsContact OD2-CZ 3.23Å; D301-R305 IonicContact OD2-NE 2.72Å; D301-R305 PolarHBondContact OD2-NE 3.15Å; D301-R305 IonicContact OD2-NH2 3.34Å; D301-R305 PolarHBondContact OD2-NH2 3.2Å; R305-I307 PolarHBondContact O-N 2.95Å; R305-L308 PolarHBondContact O-N 3.18Å; R305-N309 VanDerWaalsContact CG-ND2 3.27Å; R305-N309 WeakPolarHBondContact CG-ND2 3.36Å; R305-N309 VanDerWaalsContact O-CB 3.32Å; R305-N309 WeakPolarHBondContact O-CB 3.47Å; R305-N309 PolarHBondContact O-N 3.3Å
306P95.6Very high95.7Very high88 Ų8862.5 Ų62.557%0.57132%0.316SS*.Hα-helixtrans-57.2-35.4178.6-26.736.2000113.6A302 Q304A302-P306 VanDerWaalsContact O-CD 3.32Å; A302-P306 WeakPolarHBondContact O-CD 3.45Å; Q304-P306 VanDerWaalsContact C-CD 3.47Å
307I97.4Very high95.8Very high7 Ų762.4 Ų62.44%0.03632%0.316CS..Hα-helixtrans-83-41.9178.1-56.6177.5000110.5Q304 R305 N309 D310 L313 K318 I321 F322 W785 Q788Q304-I307 PolarHBondContact O-N 3.2Å; Q304-I307 VanDerWaalsContact O-N 3.08Å; R305-I307 PolarHBondContact O-N 2.95Å; I307-N309 PolarHBondContact O-N 3.38Å; I307-D310 WeakPolarHBondContact O-CB 3.26Å; I307-D310 PolarHBondContact O-N 2.99Å; I307-L313 HydrophobicContact CG2-CD1 3.93Å; I307-K318 WeakPolarHBondContact O-CE 3.45Å; I307-I321 HydrophobicContact CD1-CD1 4.28Å; I307-I321 HydrophobicContact CG2-CG2 4.34Å; I307-F322 HydrophobicContact CB-CE2 4.33Å; I307-F322 HydrophobicContact CB-CZ 3.85Å; I307-F322 HydrophobicContact CD1-CE1 4.09Å; I307-F322 HydrophobicContact CD1-CZ 3.92Å; I307-F322 HydrophobicContact CG1-CZ 4.34Å; I307-F322 HydrophobicContact CG2-CE2 4.3Å; I307-F322 HydrophobicContact CG2-CZ 4.16Å; I307-W785 HydrophobicContact CD1-CH2 4.17Å; I307-W785 HydrophobicContact CD1-CZ3 4.45Å; I307-Q788 HydrophobicContact CD1-CG 3.93Å
308L97.7Very high95.9Very high45 Ų4562.1 Ų62.124%0.23632%0.315CS..Hα-helixtrans-62.9-40.7-179-68.6175.1000112.6L77 Q304 R305 D310 K318 F322L77-L308 HydrophobicContact CD2-CD1 4.08Å; L77-L308 HydrophobicContact CD2-CD2 4.24Å; Q304-L308 HydrophobicContact CB-CD1 3.77Å; Q304-L308 HydrophobicContact CB-CG 4.26Å; Q304-L308 WeakPolarHBondContact O-CG 3.48Å; Q304-L308 PolarHBondContact O-N 2.91Å; R305-L308 PolarHBondContact O-N 3.18Å; L308-D310 PolarHBondContact O-N 3.19Å; L308-K318 HydrophobicContact CD2-CB 4.21Å; L308-K318 WeakPolarHBondContact O-CE 3.31Å; L308-K318 PolarHBondContact O-NZ 2.94Å; L308-F322 HydrophobicContact CD2-CD2 4.18Å; L308-F322 HydrophobicContact CD2-CE2 3.65Å; L308-F322 HydrophobicContact CG-CE2 3.81Å; L308-F322 HydrophobicContact CG-CZ 4.48Å
309N97.3Very high95.9Very high114 Ų11456.2 Ų56.261%0.6130%0.297SS*.THydrogen-bonded Turntrans-81.5-3.1-177.9-71.81000113.6R305 I307 E311R305-N309 VanDerWaalsContact CG-ND2 3.27Å; R305-N309 WeakPolarHBondContact CG-ND2 3.36Å; R305-N309 VanDerWaalsContact O-CB 3.32Å; R305-N309 WeakPolarHBondContact O-CB 3.47Å; R305-N309 PolarHBondContact O-N 3.3Å; I307-N309 PolarHBondContact O-N 3.38Å; N309-E311 PolarHBondContact O-N 2.91Å
310D96.6Very high96.1Very high21 Ų2154.3 Ų54.311%0.11229%0.288CS..  trans-76.9104.6178.9-167.7-26.1000110.7I307 L308 T312 L313 K318 R795I307-D310 WeakPolarHBondContact O-CB 3.26Å; I307-D310 PolarHBondContact O-N 2.99Å; L308-D310 PolarHBondContact O-N 3.19Å; D310-T312 PolarHBondContact O-N 3.24Å; D310-T312 WeakPolarHBondContact OD1-CB 3.05Å; D310-T312 PolarHBondContact OD1-N 3.02Å; D310-T312 PolarHBondContact OD1-OG1 2.99Å; D310-L313 HydrophobicContact CB-CB 4.4Å; D310-L313 HydrophobicContact CB-CD1 3.83Å; D310-L313 HydrophobicContact CB-CG 3.99Å; D310-L313 PolarHBondContact O-N 3.35Å; D310-K318 WeakPolarHBondContact O-CE 3.33Å; D310-K318 PolarHBondContact O-NZ 3.21Å; D310-R795 IonicContact OD1-NH2 3.31Å; D310-R795 IonicContact OD2-CZ 3.51Å; D310-R795 IonicContact OD2-NH1 3.04Å; D310-R795 PolarHBondContact OD2-NH1 3.31Å; D310-R795 IonicContact OD2-NH2 3.37Å; D310-R795 PolarHBondContact OD2-NH2 2.85Å
311E96.3Very high96.3Very high191 Ų19154.3 Ų54.389%0.89329%0.288SS*.THydrogen-bonded Turntrans-68.4-15.5-179.8-62.3-176.9175.700113N309 L313N309-E311 PolarHBondContact O-N 2.91Å; E311-L313 VanDerWaalsContact C-N 3.3Å
312T94.6Very high96.4Very high108 Ų10852 Ų5266%0.66328%0.276SS*.THydrogen-bonded Turntrans-80.7-13.4177.473.10000112.9D310 R795D310-T312 PolarHBondContact O-N 3.24Å; D310-T312 WeakPolarHBondContact OD1-CB 3.05Å; D310-T312 PolarHBondContact OD1-N 3.02Å; D310-T312 PolarHBondContact OD1-OG1 2.99Å; T312-R795 PolarHBondContact OG1-NH2 3.37Å; T312-R795 VanDerWaalsContact OG1-NH2 3.11Å
313L97.3Very high96.7Very high7 Ų750.1 Ų50.14%0.03726%0.257CS..SBendtrans-98.4134.8179.2-60.7178.9000110.7I307 D310 E311 Y317 K318 F743 L791I307-L313 HydrophobicContact CG2-CD1 3.93Å; D310-L313 HydrophobicContact CB-CB 4.4Å; D310-L313 HydrophobicContact CB-CD1 3.83Å; D310-L313 HydrophobicContact CB-CG 3.99Å; D310-L313 PolarHBondContact O-N 3.35Å; E311-L313 VanDerWaalsContact C-N 3.3Å; L313-Y317 HydrophobicContact CB-CD1 4.25Å; L313-Y317 HydrophobicContact CD1-CD1 4.13Å; L313-Y317 HydrophobicContact CD1-CE1 3.95Å; L313-Y317 HydrophobicContact CD2-CD1 4.24Å; L313-Y317 HydrophobicContact CD2-CE1 4.23Å; L313-Y317 HydrophobicContact CG-CD1 4.45Å; L313-K318 HydrophobicContact CB-CG 4.44Å; L313-K318 WeakPolarHBondContact O-CE 3.33Å; L313-K318 PolarHBondContact O-NZ 2.97Å; L313-F743 HydrophobicContact CD2-CE1 4.38Å; L313-F743 HydrophobicContact CD2-CZ 3.79Å; L313-L791 HydrophobicContact CD2-CD1 3.84Å
314P97.4Very high96.9Very high43 Ų4348.5 Ų48.528%0.27925%0.252SS..  trans-72.3148.5178.130.3-34.1000111.7W316 Y317 K318 F743P314-W316 HydrophobicContact CB-CG 4.34Å; P314-W316 HydrophobicContact CG-CD2 4.36Å; P314-W316 HydrophobicContact CG-CG 4.4Å; P314-W316 HydrophobicContact CG-CZ2 4.11Å; P314-W316 VanDerWaalsContact CG-NE1 3.32Å; P314-W316 PolarHBondContact O-N 3.4Å; P314-Y317 WeakPolarHBondContact O-CB 3.17Å; P314-Y317 PolarHBondContact O-N 3.19Å; P314-K318 PolarHBondContact O-N 3.44Å; P314-F743 HydrophobicContact CG-CD1 3.72Å; P314-F743 HydrophobicContact CG-CE1 3.86Å
315D96.2Very high97Very high127 Ų12748.6 Ų48.668%0.67925%0.252SS*.Hα-helixtrans-58.9-34-177.2-67.7-21.8000113.3Y317 K318 C319D315-Y317 VanDerWaalsContact C-N 3.26Å; D315-Y317 PolarHBondContact O-N 2.9Å; D315-K318 PolarHBondContact O-N 3.25Å; D315-K318 IonicContact OD1-NZ 2.79Å; D315-C319 WeakPolarHBondContact O-CB 3.42Å; D315-C319 PolarHBondContact O-N 3Å
316W96.1Very high97Very high54 Ų5443 Ų4321%0.20523%0.231CC..Hα-helixtrans-60.5-38.5176.174-107.8000111.9P314 C319 A320 F743 A746 G747 Y750P314-W316 HydrophobicContact CB-CG 4.34Å; P314-W316 HydrophobicContact CG-CD2 4.36Å; P314-W316 HydrophobicContact CG-CG 4.4Å; P314-W316 HydrophobicContact CG-CZ2 4.11Å; P314-W316 VanDerWaalsContact CG-NE1 3.32Å; P314-W316 PolarHBondContact O-N 3.4Å; W316-C319 PolarHBondContact O-N 3.38Å; W316-A320 HydrophobicContact CE3-CB 4.47Å; W316-A320 WeakPolarHBondContact O-CB 3.34Å; W316-A320 PolarHBondContact O-N 3.09Å; W316-F743 HydrophobicContact CH2-CD1 4.14Å; W316-F743 HydrophobicContact CZ2-CB 4.4Å; W316-F743 AromaticContact CZ2-CD1 3.64Å; W316-F743 HydrophobicContact CZ2-CD1 3.64Å; W316-F743 HydrophobicContact CZ2-CE1 4.47Å; W316-F743 HydrophobicContact CZ2-CG 4.5Å; W316-F743 WeakPolarHBondContact CZ2-O 3.33Å; W316-A746 HydrophobicContact CH2-CB 3.72Å; W316-A746 HydrophobicContact CZ3-CB 4.35Å; W316-G747 VanDerWaalsContact CH2-N 3.35Å; W316-Y750 HydrophobicContact CB-CD1 3.51Å; W316-Y750 HydrophobicContact CB-CE1 3.44Å; W316-Y750 VanDerWaalsContact CB-CE1 3.44Å; W316-Y750 HydrophobicContact CB-CG 4.12Å; W316-Y750 HydrophobicContact CD2-CD1 4.39Å; W316-Y750 HydrophobicContact CD2-CG 4.38Å; W316-Y750 HydrophobicContact CE3-CD1 4.23Å; W316-Y750 HydrophobicContact CE3-CD2 4.3Å; W316-Y750 AromaticContact CE3-CG 3.77Å; W316-Y750 HydrophobicContact CE3-CG 3.77Å; W316-Y750 HydrophobicContact CG-CD1 4.15Å
317Y98.3Very high97.1Very high0 Ų038.9 Ų38.90%020%0.204CC..Hα-helixtrans-71.5-43.6-179.3172.4-102000110.3L313 P314 D315 C319 A320 I321 F743 I784 M787 Q788 L791L313-Y317 HydrophobicContact CB-CD1 4.25Å; L313-Y317 HydrophobicContact CD1-CD1 4.13Å; L313-Y317 HydrophobicContact CD1-CE1 3.95Å; L313-Y317 HydrophobicContact CD2-CD1 4.24Å; L313-Y317 HydrophobicContact CD2-CE1 4.23Å; L313-Y317 HydrophobicContact CG-CD1 4.45Å; P314-Y317 WeakPolarHBondContact O-CB 3.17Å; P314-Y317 PolarHBondContact O-N 3.19Å; D315-Y317 VanDerWaalsContact C-N 3.26Å; D315-Y317 PolarHBondContact O-N 2.9Å; Y317-C319 VanDerWaalsContact C-N 3.26Å; Y317-C319 PolarHBondContact O-N 3.49Å; Y317-A320 PolarHBondContact O-N 3.16Å; Y317-A320 VanDerWaalsContact O-N 3.15Å; Y317-I321 HydrophobicContact CE1-CD1 4.34Å; Y317-I321 VanDerWaalsContact O-CG2 3.3Å; Y317-I321 WeakPolarHBondContact O-CG2 3.47Å; Y317-I321 PolarHBondContact O-N 3.36Å; Y317-I321 WeakPolarHBondContact OH-CD1 3.28Å; Y317-F743 HydrophobicContact CD1-CE1 4.38Å; Y317-F743 HydrophobicContact CD2-CE1 4.24Å; Y317-F743 HydrophobicContact CG-CE1 4.01Å; Y317-I784 HydrophobicContact CD2-CD1 4.42Å; Y317-I784 HydrophobicContact CE2-CD1 4.4Å; Y317-I784 HydrophobicContact CE2-CG1 4.12Å; Y317-M787 HydrophobicContact CD2-CE 4.14Å; Y317-M787 HydrophobicContact CE2-CB 4.06Å; Y317-M787 HydrophobicContact CE2-CE 3.85Å; Y317-M787 HydrophobicContact CE2-SD 4.06Å; Y317-Q788 WeakPolarHBondContact OH-CA 3.31Å; Y317-Q788 WeakPolarHBondContact OH-CB 3.22Å; Y317-Q788 PolarHBondContact OH-N 3.22Å; Y317-Q788 PolarHBondContact OH-OE1 2.98Å; Y317-L791 HydrophobicContact CE1-CD1 4.29Å
318K97.5Very high97Very high24 Ų2439.1 Ų39.110%0.10421%0.205CC..Hα-helixtrans-56.2-41.9174-64173.8-177176.10111.4I307 L308 D310 L313 P314 D315 F322I307-K318 WeakPolarHBondContact O-CE 3.45Å; L308-K318 HydrophobicContact CD2-CB 4.21Å; L308-K318 WeakPolarHBondContact O-CE 3.31Å; L308-K318 PolarHBondContact O-NZ 2.94Å; D310-K318 WeakPolarHBondContact O-CE 3.33Å; D310-K318 PolarHBondContact O-NZ 3.21Å; L313-K318 HydrophobicContact CB-CG 4.44Å; L313-K318 WeakPolarHBondContact O-CE 3.33Å; L313-K318 PolarHBondContact O-NZ 2.97Å; P314-K318 PolarHBondContact O-N 3.44Å; D315-K318 PolarHBondContact O-N 3.25Å; D315-K318 IonicContact OD1-NZ 2.79Å; K318-F322 WeakPolarHBondContact O-CD2 3.25Å
319C95.4Very high96.9Very high35 Ų3538.3 Ų38.324%0.23620%0.204CC..Hα-helixtrans-65.2-50.8174179.80000111.7D315 W316 Y317 N323 Y750D315-C319 WeakPolarHBondContact O-CB 3.42Å; D315-C319 PolarHBondContact O-N 3Å; W316-C319 PolarHBondContact O-N 3.38Å; Y317-C319 VanDerWaalsContact C-N 3.26Å; Y317-C319 PolarHBondContact O-N 3.49Å; C319-N323 WeakPolarHBondContact O-CB 3.39Å; C319-N323 PolarHBondContact O-N 2.71Å; C319-N323 VanDerWaalsContact O-N 3.08Å; C319-N323 PolarHBondContact O-ND2 2.94Å; C319-N323 PolarHBondContact SG-ND2 3.01Å; C319-Y750 HydrophobicContact CB-CE2 4.34Å
320A97Very high96.8Very high3 Ų333.5 Ų33.53%0.02518%0.178CC..Hα-helixtrans-61.4-50.6-175.600000112.6W316 Y317 F322 N323 Q324 Y750 I784W316-A320 HydrophobicContact CE3-CB 4.47Å; W316-A320 WeakPolarHBondContact O-CB 3.34Å; W316-A320 PolarHBondContact O-N 3.09Å; Y317-A320 PolarHBondContact O-N 3.16Å; Y317-A320 VanDerWaalsContact O-N 3.15Å; A320-F322 VanDerWaalsContact C-N 3.3Å; A320-F322 PolarHBondContact O-N 2.64Å; A320-N323 PolarHBondContact O-N 3.05Å; A320-Q324 WeakPolarHBondContact O-CB 3.48Å; A320-Q324 VanDerWaalsContact O-CG 3.26Å; A320-Q324 WeakPolarHBondContact O-CG 3.39Å; A320-Q324 PolarHBondContact O-N 2.95Å; A320-Y750 HydrophobicContact CB-CD2 3.7Å; A320-Y750 HydrophobicContact CB-CE2 4.19Å; A320-I784 HydrophobicContact CB-CD1 3.58Å
321I97.9Very high96.7Very high0 Ų032.5 Ų32.50%017%0.173CC..Hα-helixtrans-59.5-39.9-172.1-172.1168.4000112.9I307 Y317 I784 W785 Q788I307-I321 HydrophobicContact CD1-CD1 4.28Å; I307-I321 HydrophobicContact CG2-CG2 4.34Å; Y317-I321 HydrophobicContact CE1-CD1 4.34Å; Y317-I321 VanDerWaalsContact O-CG2 3.3Å; Y317-I321 WeakPolarHBondContact O-CG2 3.47Å; Y317-I321 PolarHBondContact O-N 3.36Å; Y317-I321 WeakPolarHBondContact OH-CD1 3.28Å; I321-I784 HydrophobicContact CB-CD1 4.35Å; I321-I784 HydrophobicContact CB-CG1 4.48Å; I321-I784 HydrophobicContact CG1-CG2 4.47Å; I321-W785 HydrophobicContact CD1-CD2 4.14Å; I321-W785 HydrophobicContact CD1-CE3 4.23Å; I321-W785 HydrophobicContact CD1-CH2 4.18Å; I321-W785 HydrophobicContact CD1-CZ2 4.09Å; I321-W785 HydrophobicContact CD1-CZ3 4.25Å; I321-W785 HydrophobicContact CG1-CD2 4.09Å; I321-W785 HydrophobicContact CG1-CG 4.49Å; I321-W785 HydrophobicContact CG1-CH2 4.29Å; I321-W785 HydrophobicContact CG1-CZ2 3.72Å; I321-W785 PolarHBondContact O-NE1 2.56Å; I321-W785 VanDerWaalsContact O-NE1 3.13Å; I321-Q788 HydrophobicContact CD1-CB 3.53Å; I321-Q788 HydrophobicContact CD1-CG 3.91Å
322F98.1Very high96.6Very high0 Ų024.5 Ų24.50%014%0.141CC..Hα-helixtrans-78.5-44.8177.4-63.1-52.1000111.7L77 W303 Q304 I307 L308 K318 A320 Q324 L325 W785L77-F322 HydrophobicContact CD1-CB 4.04Å; L77-F322 HydrophobicContact CD1-CD2 3.82Å; L77-F322 HydrophobicContact CD1-CG 4.36Å; L77-F322 HydrophobicContact CG-CD2 4.41Å; W303-F322 HydrophobicContact CE3-CD1 4.45Å; W303-F322 AromaticContact CE3-CE1 3.84Å; W303-F322 HydrophobicContact CE3-CE1 3.84Å; W303-F322 AromaticContact CH2-CD1 3.33Å; W303-F322 HydrophobicContact CH2-CD1 3.33Å; W303-F322 AromaticContact CH2-CE1 3.58Å; W303-F322 HydrophobicContact CH2-CE1 3.58Å; W303-F322 HydrophobicContact CH2-CG 4.46Å; W303-F322 HydrophobicContact CZ2-CD1 4.31Å; W303-F322 AromaticContact CZ3-CD1 3.44Å; W303-F322 HydrophobicContact CZ3-CD1 3.44Å; W303-F322 VanDerWaalsContact CZ3-CD1 3.44Å; W303-F322 AromaticContact CZ3-CE1 3.19Å; W303-F322 HydrophobicContact CZ3-CE1 3.19Å; W303-F322 HydrophobicContact CZ3-CZ 4.41Å; Q304-F322 HydrophobicContact CB-CE1 4.06Å; Q304-F322 HydrophobicContact CB-CE2 4.08Å; Q304-F322 HydrophobicContact CB-CZ 3.65Å; Q304-F322 HydrophobicContact CG-CD1 4Å; Q304-F322 HydrophobicContact CG-CE1 3.65Å; Q304-F322 HydrophobicContact CG-CE2 4.25Å; Q304-F322 HydrophobicContact CG-CG 4.43Å; Q304-F322 HydrophobicContact CG-CZ 3.75Å; I307-F322 HydrophobicContact CB-CE2 4.33Å; I307-F322 HydrophobicContact CB-CZ 3.85Å; I307-F322 HydrophobicContact CD1-CE1 4.09Å; I307-F322 HydrophobicContact CD1-CZ 3.92Å; I307-F322 HydrophobicContact CG1-CZ 4.34Å; I307-F322 HydrophobicContact CG2-CE2 4.3Å; I307-F322 HydrophobicContact CG2-CZ 4.16Å; L308-F322 HydrophobicContact CD2-CD2 4.18Å; L308-F322 HydrophobicContact CD2-CE2 3.65Å; L308-F322 HydrophobicContact CG-CE2 3.81Å; L308-F322 HydrophobicContact CG-CZ 4.48Å; K318-F322 WeakPolarHBondContact O-CD2 3.25Å; A320-F322 VanDerWaalsContact C-N 3.3Å; A320-F322 PolarHBondContact O-N 2.64Å; F322-Q324 VanDerWaalsContact C-N 3.32Å; F322-Q324 PolarHBondContact O-N 3.21Å; F322-L325 WeakPolarHBondContact O-CB 3.46Å; F322-L325 PolarHBondContact O-N 3.05Å; F322-L325 VanDerWaalsContact O-N 3.09Å; F322-W785 HydrophobicContact CD1-CZ2 4.29Å; F322-W785 HydrophobicContact CE1-CH2 4.36Å; F322-W785 HydrophobicContact CE1-CZ2 4.41Å
323N97.5Very high96.8Very high14 Ų1421 Ų218%0.07512%0.12CC..Hα-helixtrans-69-27.3-176.2-74.1-33000113.3G76 L77 Y78 C319 A320 L325 Y326 F761G76-N323 PolarHBondContact O-ND2 3.05Å; G76-N323 PolarHBondContact O-OD1 3.34Å; L77-N323 WeakPolarHBondContact CA-OD1 3.29Å; Y78-N323 PolarHBondContact N-OD1 3.37Å; C319-N323 WeakPolarHBondContact O-CB 3.39Å; C319-N323 PolarHBondContact O-N 2.71Å; C319-N323 VanDerWaalsContact O-N 3.08Å; C319-N323 PolarHBondContact O-ND2 2.94Å; C319-N323 PolarHBondContact SG-ND2 3.01Å; A320-N323 PolarHBondContact O-N 3.05Å; N323-L325 PolarHBondContact O-N 3.18Å; N323-Y326 WeakPolarHBondContact O-CB 3.37Å; N323-Y326 WeakPolarHBondContact O-CD1 3.32Å; N323-Y326 PolarHBondContact O-N 2.82Å; N323-F761 HydrophobicContact CB-CE1 3.95Å; N323-F761 HydrophobicContact CB-CZ 4.08Å; N323-F761 WeakPolarHBondContact OD1-CZ 3.03Å
324Q97.7Very high96.7Very high12 Ų1221 Ų216%0.05612%0.12CC..G310 helixtrans-64.6-22.8172.4-68.6-53.8-42.500113.1A320 F322 Y326 F327 T763 L782 I784A320-Q324 WeakPolarHBondContact O-CB 3.48Å; A320-Q324 VanDerWaalsContact O-CG 3.26Å; A320-Q324 WeakPolarHBondContact O-CG 3.39Å; A320-Q324 PolarHBondContact O-N 2.95Å; F322-Q324 VanDerWaalsContact C-N 3.32Å; F322-Q324 PolarHBondContact O-N 3.21Å; Q324-Y326 WeakPolarHBondContact O-CD1 3.34Å; Q324-Y326 PolarHBondContact O-N 3.01Å; Q324-Y326 VanDerWaalsContact O-N 3.15Å; Q324-F327 PolarHBondContact O-N 2.88Å; Q324-T763 VanDerWaalsContact CD-OG1 3.26Å; Q324-T763 PolarHBondContact NE2-OG1 3.33Å; Q324-T763 PolarHBondContact OE1-OG1 3.36Å; Q324-L782 VanDerWaalsContact O-CD2 3.27Å; Q324-L782 WeakPolarHBondContact O-CD2 3.27Å; Q324-I784 HydrophobicContact CB-CG2 3.94Å; Q324-I784 HydrophobicContact CG-CG2 4.11Å
325L97.8Very high96.7Very high1 Ų120.2 Ų20.21%0.00511%0.111CC..G310 helixtrans-68.4-8.7176.5-71.8174.7000114Y78 W303 F322 N323 F327 I328 A381 L385 W386 L782 W785Y78-L325 HydrophobicContact CD1-CB 3.58Å; Y78-L325 HydrophobicContact CE1-CB 3.6Å; Y78-L325 VanDerWaalsContact CE1-O 3.31Å; Y78-L325 WeakPolarHBondContact CE1-O 3.15Å; Y78-L325 PolarHBondContact OH-O 3Å; W303-L325 HydrophobicContact CH2-CD1 3.75Å; W303-L325 HydrophobicContact CZ3-CD1 4.27Å; F322-L325 WeakPolarHBondContact O-CB 3.46Å; F322-L325 PolarHBondContact O-N 3.05Å; F322-L325 VanDerWaalsContact O-N 3.09Å; N323-L325 PolarHBondContact O-N 3.18Å; L325-F327 PolarHBondContact O-N 3Å; L325-F327 VanDerWaalsContact O-N 3.07Å; L325-I328 HydrophobicContact CD2-CG1 4.19Å; L325-I328 WeakPolarHBondContact O-CB 3.5Å; L325-I328 PolarHBondContact O-N 3.5Å; L325-A381 HydrophobicContact CD2-CB 4.16Å; L325-L385 HydrophobicContact CD1-CD1 3.77Å; L325-L385 HydrophobicContact CD2-CD1 3.77Å; L325-L385 HydrophobicContact CG-CD1 4.41Å; L325-W386 HydrophobicContact CD2-CZ3 4.38Å; L325-L782 HydrophobicContact CD2-CD2 4.02Å; L325-W785 HydrophobicContact CD1-CZ2 3.53Å; L325-W785 VanDerWaalsContact CD2-NE1 3.29Å; L325-W785 HydrophobicContact CG-CZ2 4.19Å; L325-W785 VanDerWaalsContact CG-NE1 3.3Å
326Y97Very high96.7Very high9 Ų914.1 Ų14.14%0.0358%0.079CC..G310 helixtrans-50.3-35.1174.486.8-77.4000112.2N323 Q324 I328 S329 D330 F761 E762 T763 G777N323-Y326 WeakPolarHBondContact O-CB 3.37Å; N323-Y326 WeakPolarHBondContact O-CD1 3.32Å; N323-Y326 PolarHBondContact O-N 2.82Å; Q324-Y326 WeakPolarHBondContact O-CD1 3.34Å; Q324-Y326 PolarHBondContact O-N 3.01Å; Q324-Y326 VanDerWaalsContact O-N 3.15Å; Y326-I328 PolarHBondContact O-N 3.44Å; Y326-S329 PolarHBondContact O-N 3.22Å; Y326-D330 HydrophobicContact CD2-CB 3.89Å; Y326-D330 HydrophobicContact CE2-CB 4.21Å; Y326-D330 PolarHBondContact O-N 3.18Å; Y326-F761 HydrophobicContact CD1-CD1 4.16Å; Y326-F761 HydrophobicContact CD2-CB 4.12Å; Y326-F761 HydrophobicContact CD2-CD1 4.23Å; Y326-F761 VanDerWaalsContact CE2-C 3.42Å; Y326-F761 HydrophobicContact CE2-CB 4.31Å; Y326-F761 WeakPolarHBondContact CE2-O 3.25Å; Y326-F761 HydrophobicContact CG-CB 4.33Å; Y326-F761 AromaticContact CG-CD1 3.71Å; Y326-F761 HydrophobicContact CG-CD1 3.71Å; Y326-F761 VanDerWaalsContact OH-C 3.27Å; Y326-F761 PolarHBondContact OH-O 3.32Å; Y326-E762 VanDerWaalsContact OH-CA 3.31Å; Y326-E762 WeakPolarHBondContact OH-CA 3.26Å; Y326-E762 PolarHBondContact OH-N 3.15Å; Y326-T763 PolarHBondContact OH-N 2.91Å; Y326-G777 WeakPolarHBondContact OH-CA 3.36Å
327F97.8Very high96.5Very high1 Ų113.9 Ų13.90%0.0048%0.079CC..Hα-helixtrans-66-22.7-175.2-161.4-100.7000113.2Q324 L325 S329 D330 G331 Y360 L361 G777 M779 L782Q324-F327 PolarHBondContact O-N 2.88Å; L325-F327 PolarHBondContact O-N 3Å; L325-F327 VanDerWaalsContact O-N 3.07Å; F327-S329 PolarHBondContact O-N 3.29Å; F327-D330 PolarHBondContact O-N 3.14Å; F327-G331 VanDerWaalsContact CE2-CA 3.4Å; F327-G331 WeakPolarHBondContact O-CA 2.88Å; F327-G331 PolarHBondContact O-N 3.28Å; F327-Y360 HydrophobicContact CD1-CD2 4.21Å; F327-Y360 HydrophobicContact CE1-CD2 4.02Å; F327-L361 VanDerWaalsContact CE1-O 3.24Å; F327-L361 WeakPolarHBondContact CE1-O 3.07Å; F327-L361 WeakPolarHBondContact CZ-O 3.42Å; F327-G777 WeakPolarHBondContact CE2-O 3.18Å; F327-G777 VanDerWaalsContact CZ-O 3.28Å; F327-G777 WeakPolarHBondContact CZ-O 3.41Å; F327-M779 VanDerWaalsContact CD1-CA 3.5Å; F327-M779 HydrophobicContact CD1-CB 3.86Å; F327-M779 HydrophobicContact CE1-CB 3.42Å; F327-M779 VanDerWaalsContact CE1-CB 3.42Å; F327-M779 HydrophobicContact CZ-CB 4.37Å; F327-L782 HydrophobicContact CB-CD2 4.5Å; F327-L782 HydrophobicContact CD1-CD1 4.25Å
328I96.5Very high95.9Very high12 Ų1214.6 Ų14.66%0.0628%0.084CC..Hα-helixtrans-61.1-30.6172.5-61.9-64000111.6L325 Y326 T333 F358 L382 W386 L782L325-I328 HydrophobicContact CD2-CG1 4.19Å; L325-I328 WeakPolarHBondContact O-CB 3.5Å; L325-I328 PolarHBondContact O-N 3.5Å; Y326-I328 PolarHBondContact O-N 3.44Å; I328-T333 WeakPolarHBondContact O-CB 3.11Å; I328-T333 PolarHBondContact O-OG1 2.98Å; I328-F358 HydrophobicContact CG2-CZ 4.34Å; I328-L382 HydrophobicContact CD1-CD1 3.46Å; I328-L382 VanDerWaalsContact CD1-CD1 3.46Å; I328-L382 HydrophobicContact CD1-CG 4.39Å; I328-W386 HydrophobicContact CG1-CZ3 4.09Å; I328-W386 HydrophobicContact CG2-CH2 4.4Å; I328-W386 HydrophobicContact CG2-CZ3 4.15Å; I328-L782 HydrophobicContact CD1-CD1 3.73Å; I328-L782 HydrophobicContact CD1-CD2 4.33Å; I328-L782 HydrophobicContact CG1-CD1 4.4Å; I328-L782 HydrophobicContact CG1-CD2 4.21Å
329S94.4Very high94.8Very high29 Ų2916.8 Ų16.820%0.20310%0.097CC..Hα-helixtrans-98.9-34176.9-65.10000113.3Y78 Y326 F327Y78-S329 WeakPolarHBondContact OH-CB 3.29Å; Y78-S329 PolarHBondContact OH-OG 3.27Å; Y326-S329 PolarHBondContact O-N 3.22Å; F327-S329 PolarHBondContact O-N 3.29Å
330D94.6Very high93.6Very high13 Ų1316.3 Ų16.37%0.079%0.093CC..Hα-helixtrans-98.1-9.1-172.2-155.437.9000114.5M1 D2 Y326 F327 G332 H364M1-D330 HydrophobicContact CB-CB 4.46Å; M1-D330 WeakPolarHBondContact CB-OD1 3.23Å; D2-D330 PolarHBondContact N-OD1 3.16Å; Y326-D330 HydrophobicContact CD2-CB 3.89Å; Y326-D330 HydrophobicContact CE2-CB 4.21Å; Y326-D330 PolarHBondContact O-N 3.18Å; F327-D330 PolarHBondContact O-N 3.14Å; D330-G332 PolarHBondContact O-N 2.94Å; D330-H364 PolarHBondContact O-NE2 2.96Å; D330-H364 IonicContact OD2-CE1 3.65Å; D330-H364 IonicContact OD2-NE2 3.45Å
331G95.7Very high92.1Very high0 Ų019.5 Ų19.50%012%0.116CC..SBendtrans-74.741.7176.500000113.7F327 T333 Y360 L361F327-G331 VanDerWaalsContact CE2-CA 3.4Å; F327-G331 WeakPolarHBondContact O-CA 2.88Å; F327-G331 PolarHBondContact O-N 3.28Å; G331-T333 PolarHBondContact O-N 2.88Å; G331-T333 VanDerWaalsContact O-N 3.12Å; G331-Y360 CarbonylContact O-C 3.55Å; G331-L361 WeakPolarHBondContact O-CB 3.39Å; G331-L361 PolarHBondContact O-N 2.95Å
332G94.9Very high91Very high22 Ų2221.3 Ų21.323%0.22713%0.125CC..  trans58.527-17800000114.3D330 I334 Y369D330-G332 PolarHBondContact O-N 2.94Å; G332-I334 PolarHBondContact O-N 2.96Å; G332-Y369 WeakPolarHBondContact O-CE1 3.3Å; G332-Y369 PolarHBondContact O-OH 3.08Å
333T97.3Very high89.9Confident34 Ų3422 Ų2221%0.20913%0.133CC..  trans-58.1132.3-167.8-53.80000113.6I328 G331 F358 G359I328-T333 WeakPolarHBondContact O-CB 3.11Å; I328-T333 PolarHBondContact O-OG1 2.98Å; G331-T333 PolarHBondContact O-N 2.88Å; G331-T333 VanDerWaalsContact O-N 3.12Å; T333-F358 HydrophobicContact CG2-CD2 4.35Å; T333-F358 HydrophobicContact CG2-CE1 4.41Å; T333-F358 HydrophobicContact CG2-CE2 3.49Å; T333-F358 VanDerWaalsContact CG2-CE2 3.49Å; T333-F358 HydrophobicContact CG2-CZ 3.53Å; T333-G359 CarbonylContact C-O 3.6Å; T333-G359 VanDerWaalsContact CA-O 3.32Å; T333-G359 WeakPolarHBondContact CA-O 3.06Å
334I96.2Very high88.9Confident7 Ų730.2 Ų30.24%0.03617%0.167CC..EExtended strand (participates in β ladder)trans-115130168.959.7178.7000109.7I258 F260 G332 L336 G359 Y369 P437 F438I258-I334 HydrophobicContact CD1-CG2 4.22Å; F260-I334 HydrophobicContact CZ-CD1 3.94Å; G332-I334 PolarHBondContact O-N 2.96Å; I334-L336 HydrophobicContact CB-CD2 4.28Å; I334-L336 HydrophobicContact CB-CG 4.47Å; I334-L336 HydrophobicContact CD1-CD1 4.37Å; I334-G359 PolarHBondContact N-O 2.87Å; I334-G359 PolarHBondContact O-N 2.76Å; I334-Y369 HydrophobicContact CB-CE1 4.42Å; I334-Y369 HydrophobicContact CD1-CD1 4.03Å; I334-Y369 HydrophobicContact CD1-CD2 4.29Å; I334-Y369 HydrophobicContact CD1-CE1 3.68Å; I334-Y369 HydrophobicContact CD1-CE2 3.96Å; I334-Y369 HydrophobicContact CD1-CG 4.31Å; I334-Y369 HydrophobicContact CG1-CD1 4.07Å; I334-Y369 HydrophobicContact CG1-CE1 3.61Å; I334-Y369 HydrophobicContact CG2-CE1 4.15Å; I334-Y369 WeakPolarHBondContact CG2-OH 3.41Å; I334-P437 HydrophobicContact CD1-CB 4.37Å; I334-F438 HydrophobicContact CD1-CE2 3.54Å; I334-F438 HydrophobicContact CD1-CZ 4.01Å; I334-F438 HydrophobicContact CG1-CE2 4.38Å; I334-F438 HydrophobicContact CG1-CZ 4.47Å
335W97.3Very high88.4Confident27 Ų2737 Ų3710%0.10220%0.199CC..EExtended strand (participates in β ladder)trans-128.8110.2173.2-167.4-0.5000108.2Y107 R269 Y270 Y355 R357 F358 L389Y107-W335 HydrophobicContact CD1-CH2 4.09Å; Y107-W335 HydrophobicContact CD1-CZ2 4.23Å; Y107-W335 WeakPolarHBondContact O-CH2 3.34Å; R269-W335 CarbonylContact C-O 3.54Å; R269-W335 WeakPolarHBondContact CA-O 2.92Å; Y270-W335 VanDerWaalsContact CB-CD1 3.44Å; Y270-W335 VanDerWaalsContact CB-CG 3.47Å; Y270-W335 AromaticContact CD1-CD2 3.86Å; Y270-W335 HydrophobicContact CD1-CD2 3.86Å; Y270-W335 AromaticContact CD1-CE2 3.34Å; Y270-W335 HydrophobicContact CD1-CE3 4.35Å; Y270-W335 HydrophobicContact CD1-CG 4.43Å; Y270-W335 AromaticContact CD1-CH2 3.95Å; Y270-W335 HydrophobicContact CD1-CH2 3.95Å; Y270-W335 AromaticContact CD1-CZ2 3.37Å; Y270-W335 HydrophobicContact CD1-CZ2 3.37Å; Y270-W335 HydrophobicContact CD1-CZ3 4.4Å; Y270-W335 AromaticContact CD1-NE1 3.72Å; Y270-W335 AromaticContact CD2-CD1 3.94Å; Y270-W335 AromaticContact CD2-CE2 3.97Å; Y270-W335 HydrophobicContact CD2-CZ2 4.44Å; Y270-W335 AromaticContact CD2-NE1 3.44Å; Y270-W335 AromaticContact CE1-CE2 3.78Å; Y270-W335 AromaticContact CE1-CH2 3.97Å; Y270-W335 HydrophobicContact CE1-CH2 3.97Å; Y270-W335 AromaticContact CE1-CZ2 3.35Å; Y270-W335 HydrophobicContact CE1-CZ2 3.35Å; Y270-W335 HydrophobicContact CE2-CZ2 4.44Å; Y270-W335 AromaticContact CE2-NE1 3.97Å; Y270-W335 AromaticContact CG-CD1 3.66Å; Y270-W335 AromaticContact CG-CD2 3.88Å; Y270-W335 HydrophobicContact CG-CD2 3.88Å; Y270-W335 AromaticContact CG-CE2 3.44Å; Y270-W335 VanDerWaalsContact CG-CE2 3.44Å; Y270-W335 AromaticContact CG-CG 3.98Å; Y270-W335 HydrophobicContact CG-CG 3.98Å; Y270-W335 AromaticContact CG-CZ2 3.94Å; Y270-W335 HydrophobicContact CG-CZ2 3.94Å; Y270-W335 AromaticContact CG-NE1 3.3Å; Y270-W335 VanDerWaalsContact CG-NE1 3.3Å; Y270-W335 AromaticContact CZ-CZ2 3.92Å; Y270-W335 PolarHBondContact N-O 3.23Å; W335-Y355 PolarHBondContact NE1-O 3.31Å; W335-R357 WeakPolarHBondContact CA-O 3.1Å; W335-F358 HydrophobicContact CB-CD2 4.21Å; W335-F358 HydrophobicContact CD2-CD2 4.2Å; W335-F358 HydrophobicContact CG-CD2 4.02Å; W335-L389 HydrophobicContact CD2-CD2 4.36Å; W335-L389 HydrophobicContact CH2-CD1 4.06Å; W335-L389 HydrophobicContact CH2-CD2 4.21Å; W335-L389 HydrophobicContact CZ2-CD1 4.17Å; W335-L389 HydrophobicContact CZ2-CD2 3.49Å; W335-L389 VanDerWaalsContact CZ2-CD2 3.49Å; W335-L389 HydrophobicContact CZ2-CG 4.3Å; W335-L389 HydrophobicContact CZ3-CD1 4.3Å
336L95.6Very high87.8Confident0 Ų038 Ų380%021%0.205CC..EExtended strand (participates in β ladder)trans-115.7144.9-167-49-179.7000111I258 H267 T268 I334 G356 R357 F438I258-L336 HydrophobicContact CD1-CD2 3.37Å; I258-L336 HydrophobicContact CG1-CD2 4.32Å; H267-L336 HydrophobicContact CB-CD1 3.97Å; H267-L336 HydrophobicContact CB-CD2 4.13Å; H267-L336 HydrophobicContact CB-CG 4.46Å; T268-L336 CarbonylContact O-C 3.48Å; T268-L336 VanDerWaalsContact O-CA 3.29Å; T268-L336 WeakPolarHBondContact O-CA 3.26Å; I334-L336 HydrophobicContact CB-CD2 4.28Å; I334-L336 HydrophobicContact CB-CG 4.47Å; I334-L336 HydrophobicContact CD1-CD1 4.37Å; L336-G356 CarbonylContact O-C 3.59Å; L336-G356 WeakPolarHBondContact O-CA 3.42Å; L336-R357 HydrophobicContact CB-CB 4.46Å; L336-R357 PolarHBondContact N-O 3.49Å; L336-R357 PolarHBondContact O-N 2.71Å; L336-F438 HydrophobicContact CD1-CD2 4.41Å; L336-F438 HydrophobicContact CD1-CE2 3.83Å
337K91.8Very high87.2Confident49 Ų4940.1 Ų40.121%0.21322%0.224CC..  trans-74.4152165.9-63.3169.258.3-150.20110T268 Y270 T272 K273 D339T268-K337 PolarHBondContact O-N 2.84Å; T268-K337 WeakPolarHBondContact OG1-CB 3.21Å; Y270-K337 HydrophobicContact CD2-CG 4.39Å; T272-K337 WeakPolarHBondContact OG1-CD 3.37Å; K273-K337 HydrophobicContact CB-CD 4.31Å; K337-D339 VanDerWaalsContact C-N 3.28Å; K337-D339 HydrophobicContact CB-CB 4.35Å; K337-D339 VanDerWaalsContact CE-OD2 3.3Å; K337-D339 WeakPolarHBondContact CE-OD2 3.18Å; K337-D339 IonicContact NZ-OD2 2.95Å; K337-D339 PolarHBondContact NZ-OD2 3.21Å; K337-D339 PolarHBondContact O-N 3.01Å
338C86.6Confident86.3Confident14 Ų1446.4 Ų46.410%0.09525%0.249CC..SBendtrans-91.356.6165.8-69.10000110.3G343 L346 L353 R357C338-G343 WeakPolarHBondContact O-CA 3.35Å; C338-L346 HydrophobicContact CB-CD1 4.05Å; C338-L353 HydrophobicContact CB-CD2 4.41Å; C338-R357 WeakPolarHBondContact SG-CG 3.46Å
339D73.8Confident85.2Confident71 Ų7148.6 Ų48.638%0.3826%0.26SS..  trans-101.4-0177.659.71.9000113.7T268 K337T268-D339 PolarHBondContact OG1-OD1 2.97Å; T268-D339 PolarHBondContact OG1-OD2 2.55Å; K337-D339 VanDerWaalsContact C-N 3.28Å; K337-D339 HydrophobicContact CB-CB 4.35Å; K337-D339 VanDerWaalsContact CE-OD2 3.3Å; K337-D339 WeakPolarHBondContact CE-OD2 3.18Å; K337-D339 IonicContact NZ-OD2 2.95Å; K337-D339 PolarHBondContact NZ-OD2 3.21Å; K337-D339 PolarHBondContact O-N 3.01Å
340S70.3Confident84.8Confident24 Ų2447.6 Ų47.617%0.16825%0.253CS..SBendtrans-75.8-171.5171.374.30000112.4L342 G343S340-L342 PolarHBondContact O-N 3.26Å; S340-L342 PolarHBondContact OG-N 3.17Å; S340-G343 PolarHBondContact O-N 2.78Å; S340-G343 VanDerWaalsContact O-N 3.08Å
341S66.3Low84.4Confident71 Ų7147.1 Ų47.150%0.49725%0.25SS..Hα-helixtrans-52.2-35.6173.349.60000112.7G343 K344 E345S341-G343 VanDerWaalsContact C-N 3.31Å; S341-G343 PolarHBondContact O-N 3.07Å; S341-K344 WeakPolarHBondContact O-CB 3.33Å; S341-K344 PolarHBondContact O-N 2.88Å; S341-K344 VanDerWaalsContact O-N 3.07Å; S341-E345 PolarHBondContact O-N 2.57Å
342L74.4Confident84.2Confident37 Ų3747.1 Ų47.119%0.19425%0.25CS..Hα-helixtrans-53.7-47.8176.4-179.964000111.4S340 K344 E345 L346S340-L342 PolarHBondContact O-N 3.26Å; S340-L342 PolarHBondContact OG-N 3.17Å; L342-K344 PolarHBondContact O-N 3.48Å; L342-K344 VanDerWaalsContact O-N 3.12Å; L342-E345 PolarHBondContact O-N 3.4Å; L342-L346 HydrophobicContact CD1-CD2 4.04Å; L342-L346 HydrophobicContact CG-CD2 4.31Å; L342-L346 HydrophobicContact CG-CG 4.36Å; L342-L346 WeakPolarHBondContact O-CG 3.39Å; L342-L346 PolarHBondContact O-N 2.89Å
343G74.2Confident83.9Confident15 Ų1549.4 Ų49.416%0.15526%0.257CS..Hα-helixtrans-58.3-28.2-179.800000114.7C338 S340 S341 E345C338-G343 WeakPolarHBondContact O-CA 3.35Å; S340-G343 PolarHBondContact O-N 2.78Å; S340-G343 VanDerWaalsContact O-N 3.08Å; S341-G343 VanDerWaalsContact C-N 3.31Å; S341-G343 PolarHBondContact O-N 3.07Å; G343-E345 VanDerWaalsContact C-N 3.34Å
344K77.5Confident83.2Confident186 Ų18648.1 Ų48.181%0.80925%0.25SC*.Hα-helixtrans-78.1-22.4177.5-60.9179-178.31750112.7S341 L342S341-K344 WeakPolarHBondContact O-CB 3.33Å; S341-K344 PolarHBondContact O-N 2.88Å; S341-K344 VanDerWaalsContact O-N 3.07Å; L342-K344 PolarHBondContact O-N 3.48Å; L342-K344 VanDerWaalsContact O-N 3.12Å
345E85.8Confident82.9Confident155 Ų15548.7 Ų48.772%0.72425%0.252SS*.Hα-helixtrans-93-22.6-179.5-65.3174.7-171.400112.2S341 L342 G343S341-E345 PolarHBondContact O-N 2.57Å; L342-E345 PolarHBondContact O-N 3.4Å; G343-E345 VanDerWaalsContact C-N 3.34Å
346L86.6Confident82.7Confident23 Ų2347.5 Ų47.512%0.1225%0.247CC..SBendtrans-62.9142.1176.1-63.7-172.3000111.3C338 L342 D350 R352 L353C338-L346 HydrophobicContact CB-CD1 4.05Å; L342-L346 HydrophobicContact CD1-CD2 4.04Å; L342-L346 HydrophobicContact CG-CD2 4.31Å; L342-L346 HydrophobicContact CG-CG 4.36Å; L342-L346 WeakPolarHBondContact O-CG 3.39Å; L342-L346 PolarHBondContact O-N 2.89Å; L346-D350 HydrophobicContact CB-CB 4.05Å; L346-D350 HydrophobicContact CD1-CB 4.41Å; L346-R352 HydrophobicContact CD1-CB 4.01Å; L346-L353 HydrophobicContact CB-CD1 4.39Å; L346-L353 HydrophobicContact CB-CD2 4.17Å; L346-L353 HydrophobicContact CB-CG 4.21Å; L346-L353 HydrophobicContact CD1-CD2 4.06Å; L346-L353 HydrophobicContact CD1-CG 4.19Å
347A84.5Confident82.6Confident53 Ų5348.7 Ų48.744%0.43825%0.252SS..  trans-60.9147.417000000109.7D349 D350 L353A347-D349 WeakPolarHBondContact CB-OD1 3.34Å; A347-D349 PolarHBondContact O-N 2.94Å; A347-D350 WeakPolarHBondContact O-CB 3.16Å; A347-D350 PolarHBondContact O-N 3.36Å; A347-L353 VanDerWaalsContact O-CD1 3.25Å; A347-L353 WeakPolarHBondContact O-CD1 3.45Å
348Y77.3Confident82.9Confident133 Ų13346.6 Ų46.652%0.52224%0.243SC..THydrogen-bonded Turntrans-57.9-20.9-176.978.5-83.4000113.4Y522Y348-Y522 HydrophobicContact CE2-CD2 4.32Å; Y348-Y522 HydrophobicContact CE2-CE2 4.14Å
349D73.6Confident83.4Confident58 Ų5846 Ų4631%0.3124%0.239SC..THydrogen-bonded Turntrans-103.56.5-171.779-35.4000111.2A347 Y522A347-D349 WeakPolarHBondContact CB-OD1 3.34Å; A347-D349 PolarHBondContact O-N 2.94Å; D349-Y522 VanDerWaalsContact CA-CE1 3.49Å; D349-Y522 VanDerWaalsContact CA-OH 3.26Å; D349-Y522 WeakPolarHBondContact CA-OH 3.49Å; D349-Y522 HydrophobicContact CB-CE1 4.18Å; D349-Y522 HydrophobicContact CB-CE2 3.57Å; D349-Y522 WeakPolarHBondContact CB-OH 3.44Å; D349-Y522 WeakPolarHBondContact O-CE1 3.3Å; D349-Y522 VanDerWaalsContact O-CZ 3.26Å; D349-Y522 PolarHBondContact O-OH 2.64Å
350D87.1Confident84.6Confident7 Ų742.6 Ų42.64%0.03722%0.22CC..  trans-74.1126176.9-166.6-61.3000111.3L346 A347 R352 L353 Y395L346-D350 HydrophobicContact CB-CB 4.05Å; L346-D350 HydrophobicContact CD1-CB 4.41Å; A347-D350 WeakPolarHBondContact O-CB 3.16Å; A347-D350 PolarHBondContact O-N 3.36Å; D350-R352 PolarHBondContact O-N 3.4Å; D350-R352 VanDerWaalsContact O-N 3.14Å; D350-R352 VanDerWaalsContact OD1-CB 3.26Å; D350-R352 WeakPolarHBondContact OD1-CB 3.34Å; D350-R352 WeakPolarHBondContact OD1-CG 3.32Å; D350-R352 IonicContact OD1-CZ 3.68Å; D350-R352 PolarHBondContact OD1-N 2.84Å; D350-R352 IonicContact OD1-NE 3.8Å; D350-R352 PolarHBondContact OD1-NE 3.5Å; D350-R352 IonicContact OD1-NH2 3.38Å; D350-R352 IonicContact OD2-CZ 2.74Å; D350-R352 IonicContact OD2-NE 3.05Å; D350-R352 PolarHBondContact OD2-NE 3.45Å; D350-R352 IonicContact OD2-NH2 3.7Å; D350-R352 PolarHBondContact OD2-NH2 2.95Å; D350-L353 WeakPolarHBondContact O-CB 3.38Å; D350-L353 PolarHBondContact O-N 3.26Å; D350-L353 VanDerWaalsContact O-N 3.15Å; D350-Y395 VanDerWaalsContact OD2-CD1 3.23Å; D350-Y395 WeakPolarHBondContact OD2-CD1 3.47Å
351P86.9Confident85.9Confident3 Ų342 Ų422%0.01922%0.216CC..Hα-helixtrans-63.1-23.5-175.824.1-32.9000113.2L353 A354 Y355 V391 Y395 M533P351-L353 PolarHBondContact O-N 3.12Å; P351-A354 WeakPolarHBondContact O-CB 3.37Å; P351-A354 PolarHBondContact O-N 3.43Å; P351-A354 VanDerWaalsContact O-N 3.08Å; P351-Y355 PolarHBondContact O-N 3.32Å; P351-V391 HydrophobicContact CB-CG1 3.95Å; P351-V391 HydrophobicContact CG-CG1 3.55Å; P351-Y395 HydrophobicContact CG-CD1 4.41Å; P351-Y395 HydrophobicContact CG-CD2 3.56Å; P351-Y395 HydrophobicContact CG-CE1 4.37Å; P351-Y395 HydrophobicContact CG-CE2 3.52Å; P351-Y395 HydrophobicContact CG-CG 4.03Å; P351-M533 HydrophobicContact CB-SD 4.3Å; P351-M533 HydrophobicContact CG-SD 4.49Å
352R90.9Very high87.4Confident1 Ų139.3 Ų39.30%0.00420%0.195CC..Hα-helixtrans-69.9-20.5179.9-60171-69.7-175.3-7.6112.7L346 D350 A354 G356 D396 D399L346-R352 HydrophobicContact CD1-CB 4.01Å; D350-R352 PolarHBondContact O-N 3.4Å; D350-R352 VanDerWaalsContact O-N 3.14Å; D350-R352 VanDerWaalsContact OD1-CB 3.26Å; D350-R352 WeakPolarHBondContact OD1-CB 3.34Å; D350-R352 WeakPolarHBondContact OD1-CG 3.32Å; D350-R352 IonicContact OD1-CZ 3.68Å; D350-R352 PolarHBondContact OD1-N 2.84Å; D350-R352 IonicContact OD1-NE 3.8Å; D350-R352 PolarHBondContact OD1-NE 3.5Å; D350-R352 IonicContact OD1-NH2 3.38Å; D350-R352 IonicContact OD2-CZ 2.74Å; D350-R352 IonicContact OD2-NE 3.05Å; D350-R352 PolarHBondContact OD2-NE 3.45Å; D350-R352 IonicContact OD2-NH2 3.7Å; D350-R352 PolarHBondContact OD2-NH2 2.95Å; R352-A354 VanDerWaalsContact C-N 3.32Å; R352-G356 WeakPolarHBondContact O-CA 3.47Å; R352-G356 PolarHBondContact O-N 3.28Å; R352-D396 WeakPolarHBondContact CD-OD1 3.37Å; R352-D396 IonicContact CZ-OD1 3.62Å; R352-D396 IonicContact NH1-OD1 2.79Å; R352-D396 PolarHBondContact NH1-OD1 3.3Å; R352-D399 IonicContact CZ-OD2 3.64Å; R352-D399 IonicContact NH1-OD2 3.45Å; R352-D399 PolarHBondContact NH1-OD2 3.25Å; R352-D399 IonicContact NH2-OD1 3.92Å; R352-D399 IonicContact NH2-OD2 3.85Å; R352-D399 PolarHBondContact NH2-OD2 2.67Å
353L87.5Confident88.5Confident69 Ų6937.5 Ų37.536%0.36119%0.186SC..Hα-helixtrans-66.2-38.3170.3-66.8175.9000111.4C338 L346 A347 D350 P351C338-L353 HydrophobicContact CB-CD2 4.41Å; L346-L353 HydrophobicContact CB-CD1 4.39Å; L346-L353 HydrophobicContact CB-CD2 4.17Å; L346-L353 HydrophobicContact CB-CG 4.21Å; L346-L353 HydrophobicContact CD1-CD2 4.06Å; L346-L353 HydrophobicContact CD1-CG 4.19Å; A347-L353 VanDerWaalsContact O-CD1 3.25Å; A347-L353 WeakPolarHBondContact O-CD1 3.45Å; D350-L353 WeakPolarHBondContact O-CB 3.38Å; D350-L353 PolarHBondContact O-N 3.26Å; D350-L353 VanDerWaalsContact O-N 3.15Å; P351-L353 PolarHBondContact O-N 3.12Å
354A82.9Confident89.4Confident8 Ų838.9 Ų38.97%0.06619%0.188CC..Hα-helixtrans-79.7-49.7-179.800000112.1Y270 K273 P351 R352 I523Y270-A354 WeakPolarHBondContact CE2-O 3.21Å; Y270-A354 PolarHBondContact OH-O 2.79Å; K273-A354 PolarHBondContact NZ-O 2.9Å; P351-A354 WeakPolarHBondContact O-CB 3.37Å; P351-A354 PolarHBondContact O-N 3.43Å; P351-A354 VanDerWaalsContact O-N 3.08Å; R352-A354 VanDerWaalsContact C-N 3.32Å; A354-I523 HydrophobicContact CB-CD1 3.34Å; A354-I523 HydrophobicContact CB-CG1 4.09Å
355Y89.4Confident90.2Very high19 Ų1935.5 Ų35.58%0.07518%0.175CC..Hα-helixtrans-111.92-166.4-60.5-70.8000113.7Y107 Y270 W335 P351 N388 Y531Y107-Y355 HydrophobicContact CD1-CD1 4.02Å; Y107-Y355 HydrophobicContact CD1-CE1 4.43Å; Y107-Y355 HydrophobicContact CD2-CD1 4.07Å; Y107-Y355 AromaticContact CD2-CE1 3.66Å; Y107-Y355 HydrophobicContact CD2-CE1 3.66Å; Y107-Y355 HydrophobicContact CE1-CD1 4.37Å; Y107-Y355 HydrophobicContact CE2-CD1 4.41Å; Y107-Y355 AromaticContact CE2-CE1 3.93Å; Y107-Y355 HydrophobicContact CE2-CE1 3.93Å; Y107-Y355 AromaticContact CG-CD1 3.86Å; Y107-Y355 HydrophobicContact CG-CD1 3.86Å; Y107-Y355 AromaticContact CG-CE1 3.94Å; Y107-Y355 HydrophobicContact CG-CE1 3.94Å; Y270-Y355 WeakPolarHBondContact CE2-O 3.31Å; W335-Y355 PolarHBondContact NE1-O 3.31Å; P351-Y355 PolarHBondContact O-N 3.32Å; Y355-N388 HydrophobicContact CD1-CB 3.96Å; Y355-N388 HydrophobicContact CD2-CB 3.53Å; Y355-N388 HydrophobicContact CE1-CB 4.07Å; Y355-N388 HydrophobicContact CE2-CB 3.62Å; Y355-N388 HydrophobicContact CG-CB 3.69Å; Y355-N388 PolarHBondContact OH-ND2 3.26Å; Y355-N388 VanDerWaalsContact OH-ND2 3.13Å; Y355-Y531 PolarHBondContact OH-N 3.17Å; Y355-Y531 PolarHBondContact OH-O 3.44Å
356G93.1Very high90.5Very high1 Ų131.4 Ų31.41%0.0115%0.153CC..  trans69.9-172.4178.600000113.6L336 R352 S392L336-G356 CarbonylContact O-C 3.59Å; L336-G356 WeakPolarHBondContact O-CA 3.42Å; R352-G356 WeakPolarHBondContact O-CA 3.47Å; R352-G356 PolarHBondContact O-N 3.28Å; G356-S392 VanDerWaalsContact O-CB 3.26Å; G356-S392 WeakPolarHBondContact O-CB 3.02Å; G356-S392 PolarHBondContact O-OG 3.13Å
357R94.9Very high90.9Very high25 Ų2535.3 Ų35.39%0.09417%0.167CC..EExtended strand (participates in β ladder)trans-100.2135.4172.9-50.9-174.174.4-174.815109.4W335 L336 C338 D396 F438W335-R357 WeakPolarHBondContact CA-O 3.1Å; L336-R357 HydrophobicContact CB-CB 4.46Å; L336-R357 PolarHBondContact N-O 3.49Å; L336-R357 PolarHBondContact O-N 2.71Å; C338-R357 WeakPolarHBondContact SG-CG 3.46Å; R357-D396 IonicContact CZ-OD1 2.81Å; R357-D396 VanDerWaalsContact CZ-OD1 3.24Å; R357-D396 IonicContact CZ-OD2 3.14Å; R357-D396 VanDerWaalsContact NE-CG 3.31Å; R357-D396 IonicContact NE-OD1 2.74Å; R357-D396 PolarHBondContact NE-OD1 3.31Å; R357-D396 IonicContact NE-OD2 3.55Å; R357-D396 PolarHBondContact NE-OD2 3.06Å; R357-D396 VanDerWaalsContact NE-OD2 3.1Å; R357-D396 IonicContact NH2-OD1 3.65Å; R357-D396 PolarHBondContact NH2-OD1 3.2Å; R357-D396 IonicContact NH2-OD2 3.78Å; R357-F438 HydrophobicContact CB-CE1 4.44Å; R357-F438 HydrophobicContact CB-CZ 4.15Å; R357-F438 VanDerWaalsContact NH2-CB 3.28Å
358F97.4Very high91.6Very high6 Ų633.8 Ų33.83%0.02615%0.15CC..EExtended strand (participates in β ladder)trans-120.2127-176.9-169.7-97.3000109.8I328 T333 W335 Y360 N370 L382 L389I328-F358 HydrophobicContact CG2-CZ 4.34Å; T333-F358 HydrophobicContact CG2-CD2 4.35Å; T333-F358 HydrophobicContact CG2-CE1 4.41Å; T333-F358 HydrophobicContact CG2-CE2 3.49Å; T333-F358 VanDerWaalsContact CG2-CE2 3.49Å; T333-F358 HydrophobicContact CG2-CZ 3.53Å; W335-F358 HydrophobicContact CB-CD2 4.21Å; W335-F358 HydrophobicContact CD2-CD2 4.2Å; W335-F358 HydrophobicContact CG-CD2 4.02Å; F358-Y360 AromaticContact CD1-CD1 3.97Å; F358-Y360 HydrophobicContact CD1-CD1 3.97Å; F358-Y360 HydrophobicContact CD1-CE1 4.37Å; F358-Y360 AromaticContact CE1-CD1 3.45Å; F358-Y360 HydrophobicContact CE1-CD1 3.45Å; F358-Y360 VanDerWaalsContact CE1-CD1 3.45Å; F358-Y360 AromaticContact CE1-CE1 3.93Å; F358-Y360 HydrophobicContact CE1-CE1 3.93Å; F358-Y360 HydrophobicContact CE1-CG 4.28Å; F358-Y360 HydrophobicContact CZ-CD1 4.43Å; F358-N370 PolarHBondContact O-ND2 2.8Å; F358-L382 HydrophobicContact CD1-CD2 3.98Å; F358-L382 HydrophobicContact CE1-CD2 3.83Å; F358-L389 HydrophobicContact CB-CB 4.36Å; F358-L389 HydrophobicContact CB-CD2 4.08Å; F358-L389 HydrophobicContact CD2-CD1 3.77Å; F358-L389 HydrophobicContact CD2-CD2 4.09Å; F358-L389 HydrophobicContact CD2-CG 4.36Å; F358-L389 HydrophobicContact CE2-CD1 3.89Å; F358-L389 HydrophobicContact CG-CB 4.25Å; F358-L389 HydrophobicContact CG-CD1 4.25Å; F358-L389 HydrophobicContact CG-CD2 4.27Å; F358-L389 HydrophobicContact CG-CG 4.47Å; F358-L389 HydrophobicContact CZ-CD1 4.47Å
359G97.3Very high92.6Very high0 Ų028 Ų280%013%0.128CC..EExtended strand (participates in β ladder)trans-138.2137.6178.200000110.6T333 I334 N370T333-G359 CarbonylContact C-O 3.6Å; T333-G359 VanDerWaalsContact CA-O 3.32Å; T333-G359 WeakPolarHBondContact CA-O 3.06Å; I334-G359 PolarHBondContact N-O 2.87Å; I334-G359 PolarHBondContact O-N 2.76Å; G359-N370 VanDerWaalsContact CA-OD1 3.3Å; G359-N370 WeakPolarHBondContact CA-OD1 3.25Å
360Y98.1Very high93.8Very high0 Ų025.2 Ų25.20%011%0.113CC..  trans-141.3149.3169.862.4-70.4000109.1F327 G331 F358 N370 H375 L382 L393 M779 L782F327-Y360 HydrophobicContact CD1-CD2 4.21Å; F327-Y360 HydrophobicContact CE1-CD2 4.02Å; G331-Y360 CarbonylContact O-C 3.55Å; F358-Y360 AromaticContact CD1-CD1 3.97Å; F358-Y360 HydrophobicContact CD1-CD1 3.97Å; F358-Y360 HydrophobicContact CD1-CE1 4.37Å; F358-Y360 AromaticContact CE1-CD1 3.45Å; F358-Y360 HydrophobicContact CE1-CD1 3.45Å; F358-Y360 VanDerWaalsContact CE1-CD1 3.45Å; F358-Y360 AromaticContact CE1-CE1 3.93Å; F358-Y360 HydrophobicContact CE1-CE1 3.93Å; F358-Y360 HydrophobicContact CE1-CG 4.28Å; F358-Y360 HydrophobicContact CZ-CD1 4.43Å; Y360-N370 VanDerWaalsContact CD1-OD1 3.3Å; Y360-N370 WeakPolarHBondContact CD1-OD1 3.47Å; Y360-N370 PolarHBondContact N-OD1 3.05Å; Y360-N370 PolarHBondContact O-N 2.87Å; Y360-N370 PolarHBondContact O-OD1 2.74Å; Y360-H375 AromaticContact CE1-ND1 3.91Å; Y360-H375 AromaticContact CZ-ND1 3.59Å; Y360-H375 PolarHBondContact OH-CE1 3.3Å; Y360-H375 PolarHBondContact OH-ND1 2.82Å; Y360-L382 HydrophobicContact CE1-CD1 4.24Å; Y360-L382 HydrophobicContact CE1-CD2 3.96Å; Y360-L393 HydrophobicContact CE1-CD1 4.26Å; Y360-M779 HydrophobicContact CD2-CB 4.32Å; Y360-M779 HydrophobicContact CD2-CE 3.74Å; Y360-M779 HydrophobicContact CE1-CE 4.06Å; Y360-M779 HydrophobicContact CE2-CB 3.91Å; Y360-M779 HydrophobicContact CE2-CE 3.13Å; Y360-M779 HydrophobicContact CG-CE 4.45Å; Y360-M779 WeakPolarHBondContact OH-CE 3.49Å; Y360-L782 HydrophobicContact CE2-CD1 4.01Å
361L98.4Very high94.3Very high13 Ų1324.9 Ų24.97%0.06811%0.111CC..BIsolated β-bridgetrans-69.4152.3-174.3-60.9178000110.8F327 G331 G363 R367 M368 Y369 P433F327-L361 VanDerWaalsContact CE1-O 3.24Å; F327-L361 WeakPolarHBondContact CE1-O 3.07Å; F327-L361 WeakPolarHBondContact CZ-O 3.42Å; G331-L361 WeakPolarHBondContact O-CB 3.39Å; G331-L361 PolarHBondContact O-N 2.95Å; L361-G363 VanDerWaalsContact C-N 3.35Å; L361-R367 HydrophobicContact CD1-CG 4.4Å; L361-R367 HydrophobicContact CD2-CB 4.41Å; L361-M368 CarbonylContact C-O 3.55Å; L361-M368 VanDerWaalsContact CA-O 3.28Å; L361-M368 WeakPolarHBondContact CA-O 3.36Å; L361-Y369 HydrophobicContact CD2-CD1 3.85Å; L361-Y369 HydrophobicContact CD2-CD2 4.12Å; L361-Y369 HydrophobicContact CD2-CE1 3.7Å; L361-Y369 HydrophobicContact CD2-CE2 3.98Å; L361-Y369 HydrophobicContact CD2-CG 4.06Å; L361-Y369 HydrophobicContact CG-CD1 4.49Å; L361-Y369 HydrophobicContact CG-CE1 4.16Å; L361-P433 HydrophobicContact CD2-CG 4.25Å
362E98.4Very high94.9Very high13 Ų1324.7 Ų24.76%0.06111%0.11CC..SBendtrans-60-46.5168.6-171.9-169.4132.200111.6Y366 M368 T371 V374 Y778 M779E362-Y366 WeakPolarHBondContact CB-O 3.32Å; E362-Y366 WeakPolarHBondContact OE1-CD2 3.49Å; E362-M368 HydrophobicContact CB-CB 4.46Å; E362-M368 PolarHBondContact N-O 3.4Å; E362-M368 VanDerWaalsContact OE2-CE 3.26Å; E362-M368 WeakPolarHBondContact OE2-CE 3.25Å; E362-T371 WeakPolarHBondContact CB-OG1 3.16Å; E362-T371 HydrophobicContact CG-CG2 4.24Å; E362-T371 WeakPolarHBondContact OE2-CB 3.39Å; E362-T371 VanDerWaalsContact OE2-CG2 3.27Å; E362-T371 WeakPolarHBondContact OE2-CG2 3.35Å; E362-T371 PolarHBondContact OE2-OG1 3.02Å; E362-V374 HydrophobicContact CG-CB 4.41Å; E362-V374 HydrophobicContact CG-CG1 4.46Å; E362-V374 HydrophobicContact CG-CG2 4.05Å; E362-Y778 VanDerWaalsContact CD-OH 3.3Å; E362-Y778 HydrophobicContact CG-CE1 4.34Å; E362-Y778 HydrophobicContact CG-CE2 3.8Å; E362-Y778 WeakPolarHBondContact CG-OH 3.26Å; E362-Y778 VanDerWaalsContact O-CD2 3.29Å; E362-Y778 WeakPolarHBondContact O-CD2 3.15Å; E362-Y778 WeakPolarHBondContact O-CE2 3.13Å; E362-Y778 PolarHBondContact OE1-OH 3.06Å; E362-M779 HydrophobicContact CB-SD 4.34Å; E362-M779 HydrophobicContact CG-SD 4.34Å; E362-M779 WeakPolarHBondContact O-CB 3.45Å; E362-M779 PolarHBondContact O-N 3.38Å
363G96.7Very high95.2Very high0 Ų024.8 Ų24.80%011%0.111CC..BIsolated β-bridgetrans-162.1-178.6168.400000113.8L361 E365 Y366 G777L361-G363 VanDerWaalsContact C-N 3.35Å; G363-E365 VanDerWaalsContact C-N 3.32Å; G363-E365 PolarHBondContact O-N 2.91Å; G363-Y366 PolarHBondContact N-O 3.32Å; G363-Y366 CarbonylContact O-C 3.48Å; G363-G777 CarbonylContact C-O 3.52Å; G363-G777 WeakPolarHBondContact CA-O 3.3Å
364H93Very high95.8Very high44 Ų4421.6 Ų21.620%0.2049%0.094CC..SBendtrans-70.5-28.8179-67.7175000113D2 D330 I776 G777D2-H364 IonicContact OD1-CE1 3.91Å; D2-H364 IonicContact OD1-NE2 3.48Å; D330-H364 PolarHBondContact O-NE2 2.96Å; D330-H364 IonicContact OD2-CE1 3.65Å; D330-H364 IonicContact OD2-NE2 3.45Å; H364-I776 HydrophobicContact CB-CG1 4.47Å; H364-I776 PolarHBondContact N-O 3.36Å; H364-G777 PolarHBondContact N-O 2.97Å
365E93.8Very high96.5Very high114 Ų11421.2 Ų21.253%0.5339%0.091SC..SBendtrans-90.9-34.3175-58.1-170.7132.800112.1G363 S775G363-E365 VanDerWaalsContact C-N 3.32Å; G363-E365 PolarHBondContact O-N 2.91Å; E365-S775 WeakPolarHBondContact OE2-CA 3.46Å; E365-S775 PolarHBondContact OE2-N 3.04Å; E365-S775 VanDerWaalsContact OE2-N 3.13Å
366Y93.4Very high97Very high70 Ų7020.3 Ų20.328%0.2759%0.087SC..SBendtrans-10185.9-177.7-63.5-12.6000109.1E362 G363 M368 R774 S775 Y778E362-Y366 WeakPolarHBondContact CB-O 3.32Å; E362-Y366 WeakPolarHBondContact OE1-CD2 3.49Å; G363-Y366 PolarHBondContact N-O 3.32Å; G363-Y366 CarbonylContact O-C 3.48Å; Y366-M368 VanDerWaalsContact C-CE 3.45Å; Y366-M368 HydrophobicContact CG-CE 4.24Å; Y366-M368 PolarHBondContact O-N 3.45Å; Y366-R774 WeakPolarHBondContact OH-CG 3.45Å; Y366-R774 PolarHBondContact OH-NH1 3.28Å; Y366-S775 VanDerWaalsContact CD2-OG 3.26Å; Y366-S775 WeakPolarHBondContact CD2-OG 3.08Å; Y366-S775 VanDerWaalsContact CE2-CB 3.49Å; Y366-S775 WeakPolarHBondContact CE2-OG 3.36Å; Y366-Y778 AromaticContact CD2-CE2 3.55Å; Y366-Y778 HydrophobicContact CD2-CE2 3.55Å; Y366-Y778 HydrophobicContact CE2-CE2 4.17Å; Y366-Y778 HydrophobicContact CG-CE2 4.39Å
367R95.3Very high97.3Very high105 Ų10520.2 Ų20.240%0.3969%0.087SC..  trans-84.555.7-168.6-59.6-176.6-64.7150.19.4112.7L361 P433 D434L361-R367 HydrophobicContact CD1-CG 4.4Å; L361-R367 HydrophobicContact CD2-CB 4.41Å; R367-P433 HydrophobicContact CB-CG 4.04Å; R367-P433 WeakPolarHBondContact O-CD 3.32Å; R367-D434 IonicContact CZ-OD2 3.25Å; R367-D434 IonicContact NH1-OD1 3.64Å; R367-D434 IonicContact NH1-OD2 2.76Å; R367-D434 PolarHBondContact NH1-OD2 3.02Å; R367-D434 IonicContact NH2-OD2 3.2Å; R367-D434 PolarHBondContact NH2-OD2 3.38Å
368M97.6Very high97.4Very high20 Ų2019 Ų1910%0.0998%0.082CC..  trans-109129175.8-75.4141-6400110.1L361 E362 Y366 T371 D429 C443 Y444L361-M368 CarbonylContact C-O 3.55Å; L361-M368 VanDerWaalsContact CA-O 3.28Å; L361-M368 WeakPolarHBondContact CA-O 3.36Å; E362-M368 HydrophobicContact CB-CB 4.46Å; E362-M368 PolarHBondContact N-O 3.4Å; E362-M368 VanDerWaalsContact OE2-CE 3.26Å; E362-M368 WeakPolarHBondContact OE2-CE 3.25Å; Y366-M368 VanDerWaalsContact C-CE 3.45Å; Y366-M368 HydrophobicContact CG-CE 4.24Å; Y366-M368 PolarHBondContact O-N 3.45Å; M368-T371 WeakPolarHBondContact CB-OG1 3.26Å; M368-D429 HydrophobicContact CB-CB 3.79Å; M368-D429 HydrophobicContact CG-CB 4.2Å; M368-C443 WeakPolarHBondContact CG-SG 3.42Å; M368-Y444 HydrophobicContact SD-CD2 3.81Å; M368-Y444 HydrophobicContact SD-CG 4.32Å
369Y98.6Very high97.5Very high11 Ų1118.8 Ų18.84%0.0438%0.081CC..BIsolated β-bridgetrans-77129.1178-79.5-70.8000111.9G332 I334 L361 T371 L430 G431 P433 P437G332-Y369 WeakPolarHBondContact O-CE1 3.3Å; G332-Y369 PolarHBondContact O-OH 3.08Å; I334-Y369 HydrophobicContact CB-CE1 4.42Å; I334-Y369 HydrophobicContact CD1-CD1 4.03Å; I334-Y369 HydrophobicContact CD1-CD2 4.29Å; I334-Y369 HydrophobicContact CD1-CE1 3.68Å; I334-Y369 HydrophobicContact CD1-CE2 3.96Å; I334-Y369 HydrophobicContact CD1-CG 4.31Å; I334-Y369 HydrophobicContact CG1-CD1 4.07Å; I334-Y369 HydrophobicContact CG1-CE1 3.61Å; I334-Y369 HydrophobicContact CG2-CE1 4.15Å; I334-Y369 WeakPolarHBondContact CG2-OH 3.41Å; L361-Y369 HydrophobicContact CD2-CD1 3.85Å; L361-Y369 HydrophobicContact CD2-CD2 4.12Å; L361-Y369 HydrophobicContact CD2-CE1 3.7Å; L361-Y369 HydrophobicContact CD2-CE2 3.98Å; L361-Y369 HydrophobicContact CD2-CG 4.06Å; L361-Y369 HydrophobicContact CG-CD1 4.49Å; L361-Y369 HydrophobicContact CG-CE1 4.16Å; Y369-T371 VanDerWaalsContact C-N 3.29Å; Y369-T371 PolarHBondContact O-N 2.92Å; Y369-L430 PolarHBondContact O-N 2.82Å; Y369-G431 PolarHBondContact N-O 3.25Å; Y369-P433 HydrophobicContact CE2-CB 3.83Å; Y369-P433 HydrophobicContact CE2-CG 4.23Å; Y369-P437 HydrophobicContact CD2-CB 3.71Å; Y369-P437 HydrophobicContact CD2-CG 3.56Å; Y369-P437 HydrophobicContact CE2-CB 4.06Å; Y369-P437 HydrophobicContact CE2-CG 3.49Å; Y369-P437 VanDerWaalsContact CE2-CG 3.49Å
370N98.4Very high97.5Very high0 Ų019 Ų190%08%0.082CC..THydrogen-bonded Turntrans52.342.9175.4-60.7-17.5000112.9F358 G359 Y360 Y372 L393 F397 L430F358-N370 PolarHBondContact O-ND2 2.8Å; G359-N370 VanDerWaalsContact CA-OD1 3.3Å; G359-N370 WeakPolarHBondContact CA-OD1 3.25Å; Y360-N370 VanDerWaalsContact CD1-OD1 3.3Å; Y360-N370 WeakPolarHBondContact CD1-OD1 3.47Å; Y360-N370 PolarHBondContact N-OD1 3.05Å; Y360-N370 PolarHBondContact O-N 2.87Å; Y360-N370 PolarHBondContact O-OD1 2.74Å; N370-Y372 WeakPolarHBondContact O-CA 3.41Å; N370-Y372 PolarHBondContact O-N 3.01Å; N370-L393 HydrophobicContact CB-CD1 4.18Å; N370-L393 VanDerWaalsContact ND2-CD1 3.35Å; N370-L393 WeakPolarHBondContact ND2-CD1 2.89Å; N370-F397 HydrophobicContact CB-CE2 3.84Å; N370-F397 HydrophobicContact CB-CZ 4.11Å; N370-F397 VanDerWaalsContact O-CZ 3.23Å; N370-F397 WeakPolarHBondContact O-CZ 3.31Å; N370-L430 HydrophobicContact CB-CD1 4.2Å; N370-L430 HydrophobicContact CB-CG 4.38Å
371T98.7Very high97.5Very high0 Ų019 Ų190%08%0.082CC..  trans-49.8114.9175.5-62.40000110E362 M368 Y369 D373 V374 H375 H428E362-T371 WeakPolarHBondContact CB-OG1 3.16Å; E362-T371 HydrophobicContact CG-CG2 4.24Å; E362-T371 WeakPolarHBondContact OE2-CB 3.39Å; E362-T371 VanDerWaalsContact OE2-CG2 3.27Å; E362-T371 WeakPolarHBondContact OE2-CG2 3.35Å; E362-T371 PolarHBondContact OE2-OG1 3.02Å; M368-T371 WeakPolarHBondContact CB-OG1 3.26Å; Y369-T371 VanDerWaalsContact C-N 3.29Å; Y369-T371 PolarHBondContact O-N 2.92Å; T371-D373 WeakPolarHBondContact CG2-OD1 3.46Å; T371-V374 HydrophobicContact CG2-CB 4.28Å; T371-V374 HydrophobicContact CG2-CG2 3.67Å; T371-V374 PolarHBondContact O-N 3.42Å; T371-H375 WeakPolarHBondContact O-CB 3.3Å; T371-H375 PolarHBondContact O-N 3.04Å; T371-H428 CarbonylContact C-O 3.52Å; T371-H428 WeakPolarHBondContact CA-O 3.11Å; T371-H428 WeakPolarHBondContact CG2-CE1 3.44Å; T371-H428 WeakPolarHBondContact CG2-NE2 3.12Å
372Y98.7Very high97.5Very high0 Ų018.4 Ų18.40%08%0.079CC..Hα-helixtrans-82-34.4-152.4-163.3-102.7000112.5N370 V374 H375 F376 L393 Q394 F397 V426 H428 F459 Q462N370-Y372 WeakPolarHBondContact O-CA 3.41Å; N370-Y372 PolarHBondContact O-N 3.01Å; Y372-V374 PolarHBondContact O-N 3.38Å; Y372-H375 PolarHBondContact O-N 2.74Å; Y372-F376 PolarHBondContact O-N 2.75Å; Y372-L393 HydrophobicContact CE2-CD2 4.23Å; Y372-Q394 PolarHBondContact OH-NE2 2.72Å; Y372-Q394 PolarHBondContact OH-OE1 3.4Å; Y372-F397 AromaticContact CD2-CD1 3.53Å; Y372-F397 HydrophobicContact CD2-CD1 3.53Å; Y372-F397 AromaticContact CD2-CD2 3.57Å; Y372-F397 HydrophobicContact CD2-CD2 3.57Å; Y372-F397 AromaticContact CD2-CE1 3.33Å; Y372-F397 HydrophobicContact CD2-CE1 3.33Å; Y372-F397 AromaticContact CD2-CE2 3.37Å; Y372-F397 HydrophobicContact CD2-CE2 3.37Å; Y372-F397 AromaticContact CD2-CG 3.66Å; Y372-F397 HydrophobicContact CD2-CG 3.66Å; Y372-F397 AromaticContact CD2-CZ 3.27Å; Y372-F397 HydrophobicContact CD2-CZ 3.27Å; Y372-F397 HydrophobicContact CE2-CB 4.24Å; Y372-F397 AromaticContact CE2-CD1 3.87Å; Y372-F397 HydrophobicContact CE2-CD1 3.87Å; Y372-F397 AromaticContact CE2-CD2 3.58Å; Y372-F397 HydrophobicContact CE2-CD2 3.58Å; Y372-F397 HydrophobicContact CE2-CE1 4.14Å; Y372-F397 AromaticContact CE2-CE2 3.87Å; Y372-F397 HydrophobicContact CE2-CE2 3.87Å; Y372-F397 AromaticContact CE2-CG 3.6Å; Y372-F397 HydrophobicContact CE2-CG 3.6Å; Y372-F397 HydrophobicContact CE2-CZ 4.15Å; Y372-F397 AromaticContact CG-CD1 3.9Å; Y372-F397 HydrophobicContact CG-CD1 3.9Å; Y372-F397 AromaticContact CG-CE1 3.56Å; Y372-F397 HydrophobicContact CG-CE1 3.56Å; Y372-F397 HydrophobicContact CG-CE2 4.37Å; Y372-F397 HydrophobicContact CG-CG 4.46Å; Y372-F397 AromaticContact CG-CZ 3.84Å; Y372-F397 HydrophobicContact CG-CZ 3.84Å; Y372-V426 HydrophobicContact CD1-CG1 3.61Å; Y372-V426 HydrophobicContact CE1-CG1 3.99Å; Y372-V426 HydrophobicContact CG-CG1 4.12Å; Y372-H428 PolarHBondContact N-O 3.34Å; Y372-F459 HydrophobicContact CE1-CB 3.66Å; Y372-F459 AromaticContact CE1-CD2 4Å; Y372-F459 HydrophobicContact CE1-CD2 4Å; Y372-F459 HydrophobicContact CE1-CG 4.33Å; Y372-F459 HydrophobicContact CE2-CD2 4.48Å; Y372-F459 AromaticContact CZ-CD2 3.63Å; Y372-F459 WeakPolarHBondContact OH-CA 3.16Å; Y372-F459 WeakPolarHBondContact OH-CD2 3.27Å; Y372-Q462 PolarHBondContact OH-NE2 3.44Å
373D98.7Very high97.4Very high3 Ų317.9 Ų17.92%0.0168%0.077CC..Hα-helixtrans-66-25.6172.360.8-70.3000112.4T371 F376 Y377 H428 L455 K458 T573T371-D373 WeakPolarHBondContact CG2-OD1 3.46Å; D373-F376 WeakPolarHBondContact O-CB 3.18Å; D373-Y377 WeakPolarHBondContact O-CD2 3.42Å; D373-Y377 WeakPolarHBondContact O-CE2 3.33Å; D373-H428 IonicContact OD1-CD2 3.66Å; D373-H428 PolarHBondContact OD1-CD2 3.28Å; D373-H428 VanDerWaalsContact OD1-CD2 3.25Å; D373-H428 IonicContact OD1-NE2 2.63Å; D373-H428 PolarHBondContact OD1-NE2 2.82Å; D373-L455 HydrophobicContact CB-CD2 3.76Å; D373-K458 HydrophobicContact CB-CD 4.14Å; D373-K458 PolarHBondContact O-NZ 2.83Å; D373-T573 WeakPolarHBondContact OD2-CB 3.33Å; D373-T573 PolarHBondContact OD2-OG1 3.35Å
374V98.8Very high97.3Very high1 Ų119.4 Ų19.41%0.0068%0.084CC..Hα-helixtrans-88-42.5174.6-168.40000111.2E362 T371 Y372 F376 Y377 A378 Y778 M779 R780E362-V374 HydrophobicContact CG-CB 4.41Å; E362-V374 HydrophobicContact CG-CG1 4.46Å; E362-V374 HydrophobicContact CG-CG2 4.05Å; T371-V374 HydrophobicContact CG2-CB 4.28Å; T371-V374 HydrophobicContact CG2-CG2 3.67Å; T371-V374 PolarHBondContact O-N 3.42Å; Y372-V374 PolarHBondContact O-N 3.38Å; V374-F376 PolarHBondContact O-N 3.45Å; V374-F376 VanDerWaalsContact O-N 3.16Å; V374-Y377 PolarHBondContact O-N 3.05Å; V374-A378 PolarHBondContact O-N 3.04Å; V374-Y778 HydrophobicContact CG1-CD1 4.44Å; V374-Y778 HydrophobicContact CG1-CE1 3.68Å; V374-M779 HydrophobicContact CB-CG 4.02Å; V374-M779 HydrophobicContact CB-SD 3.67Å; V374-M779 HydrophobicContact CG1-CG 3.27Å; V374-M779 HydrophobicContact CG1-SD 3.65Å; V374-R780 HydrophobicContact CG1-CB 3.63Å; V374-R780 HydrophobicContact CG1-CG 3.83Å
375H98.8Very high97.4Very high0 Ų018 Ų180%08%0.078CC..Hα-helixtrans-55.7-30.6173-17656.6000111.6Y360 T371 Y372 Y377 A378 S379 Q390 Q462 M779Y360-H375 AromaticContact CE1-ND1 3.91Å; Y360-H375 AromaticContact CZ-ND1 3.59Å; Y360-H375 PolarHBondContact OH-CE1 3.3Å; Y360-H375 PolarHBondContact OH-ND1 2.82Å; T371-H375 WeakPolarHBondContact O-CB 3.3Å; T371-H375 PolarHBondContact O-N 3.04Å; Y372-H375 PolarHBondContact O-N 2.74Å; H375-Y377 PolarHBondContact O-N 3.33Å; H375-Y377 VanDerWaalsContact O-N 3.14Å; H375-A378 PolarHBondContact O-N 3.15Å; H375-A378 VanDerWaalsContact O-N 3.11Å; H375-S379 WeakPolarHBondContact NE2-CB 3.4Å; H375-S379 WeakPolarHBondContact O-CA 3.2Å; H375-S379 WeakPolarHBondContact O-CB 3.29Å; H375-S379 PolarHBondContact O-N 2.91Å; H375-S379 PolarHBondContact O-OG 3.3Å; H375-Q390 PolarHBondContact CE1-OE1 3.36Å; H375-Q390 VanDerWaalsContact CE1-OE1 3.29Å; H375-Q390 PolarHBondContact NE2-OE1 3.48Å; H375-Q462 PolarHBondContact CD2-OE1 3.26Å; H375-Q462 VanDerWaalsContact CD2-OE1 3.24Å; H375-M779 HydrophobicContact CB-CE 4.02Å
376F98.9Very high97.5Very high0 Ų012.8 Ų12.80%05%0.054CC..Hα-helixtrans-48.5-39.9171.1-177.9-103.7000113.4Y372 D373 V374 S379 K458 L461 Q462 L589 W655 Y656Y372-F376 PolarHBondContact O-N 2.75Å; D373-F376 WeakPolarHBondContact O-CB 3.18Å; V374-F376 PolarHBondContact O-N 3.45Å; V374-F376 VanDerWaalsContact O-N 3.16Å; F376-S379 PolarHBondContact O-OG 2.91Å; F376-S379 VanDerWaalsContact O-OG 3.06Å; F376-K458 HydrophobicContact CB-CB 4.42Å; F376-K458 HydrophobicContact CB-CD 3.81Å; F376-K458 HydrophobicContact CB-CG 4.19Å; F376-K458 HydrophobicContact CD1-CD 4.16Å; F376-K458 HydrophobicContact CD1-CG 4.17Å; F376-K458 HydrophobicContact CD2-CB 3.57Å; F376-K458 HydrophobicContact CD2-CD 4.06Å; F376-K458 HydrophobicContact CD2-CG 3.46Å; F376-K458 VanDerWaalsContact CD2-CG 3.46Å; F376-K458 HydrophobicContact CE1-CG 4.37Å; F376-K458 HydrophobicContact CE2-CB 3.98Å; F376-K458 HydrophobicContact CE2-CG 3.7Å; F376-K458 HydrophobicContact CG-CB 4.14Å; F376-K458 HydrophobicContact CG-CD 3.76Å; F376-K458 HydrophobicContact CG-CG 3.69Å; F376-K458 HydrophobicContact CZ-CG 4.13Å; F376-L461 HydrophobicContact CE2-CB 4.05Å; F376-L461 HydrophobicContact CE2-CD1 4.07Å; F376-L461 HydrophobicContact CZ-CD1 4.14Å; F376-Q462 HydrophobicContact CD2-CG 4Å; F376-L589 HydrophobicContact CE1-CD2 4.09Å; F376-L589 HydrophobicContact CZ-CD2 3.66Å; F376-W655 HydrophobicContact CD1-CH2 4.49Å; F376-W655 HydrophobicContact CD1-CZ3 4.01Å; F376-W655 HydrophobicContact CE1-CE3 4.29Å; F376-W655 HydrophobicContact CE1-CH2 4.36Å; F376-W655 AromaticContact CE1-CZ3 3.58Å; F376-W655 HydrophobicContact CE1-CZ3 3.58Å; F376-W655 HydrophobicContact CZ-CZ3 4.44Å; F376-Y656 HydrophobicContact CD1-CD2 4.31Å; F376-Y656 HydrophobicContact CD1-CE2 4.15Å; F376-Y656 HydrophobicContact CD2-CD2 4.18Å; F376-Y656 AromaticContact CD2-CE2 3.58Å; F376-Y656 HydrophobicContact CD2-CE2 3.58Å; F376-Y656 AromaticContact CD2-CZ 3.82Å; F376-Y656 AromaticContact CE1-CD2 3.51Å; F376-Y656 HydrophobicContact CE1-CD2 3.51Å; F376-Y656 AromaticContact CE1-CE2 3.78Å; F376-Y656 HydrophobicContact CE1-CE2 3.78Å; F376-Y656 HydrophobicContact CE1-CG 4.33Å; F376-Y656 HydrophobicContact CE2-CD1 4.05Å; F376-Y656 AromaticContact CE2-CD2 3.35Å; F376-Y656 HydrophobicContact CE2-CD2 3.35Å; F376-Y656 AromaticContact CE2-CE1 3.9Å; F376-Y656 HydrophobicContact CE2-CE1 3.9Å; F376-Y656 AromaticContact CE2-CE2 3.15Å; F376-Y656 HydrophobicContact CE2-CE2 3.15Å; F376-Y656 AromaticContact CE2-CG 3.75Å; F376-Y656 HydrophobicContact CE2-CG 3.75Å; F376-Y656 AromaticContact CE2-CZ 3.42Å; F376-Y656 VanDerWaalsContact CE2-CZ 3.42Å; F376-Y656 HydrophobicContact CG-CE2 4.08Å; F376-Y656 HydrophobicContact CZ-CD1 4.18Å; F376-Y656 AromaticContact CZ-CD2 2.97Å; F376-Y656 HydrophobicContact CZ-CD2 2.97Å; F376-Y656 HydrophobicContact CZ-CE1 4.43Å; F376-Y656 AromaticContact CZ-CE2 3.29Å; F376-Y656 HydrophobicContact CZ-CE2 3.29Å; F376-Y656 AromaticContact CZ-CG 3.43Å; F376-Y656 HydrophobicContact CZ-CG 3.43Å; F376-Y656 VanDerWaalsContact CZ-CG 3.43Å; F376-Y656 AromaticContact CZ-CZ 4Å
377Y98.9Very high97.6Very high0 Ų09.6 Ų9.60%04%0.041CC..Hα-helixtrans-81-39.7177.1-60.8-91.3000112.7D373 V374 H375 P380 Y585 D649 W655 V725 A728 R780 S783D373-Y377 WeakPolarHBondContact O-CD2 3.42Å; D373-Y377 WeakPolarHBondContact O-CE2 3.33Å; V374-Y377 PolarHBondContact O-N 3.05Å; H375-Y377 PolarHBondContact O-N 3.33Å; H375-Y377 VanDerWaalsContact O-N 3.14Å; Y377-P380 WeakPolarHBondContact O-CD 3.45Å; Y377-Y585 WeakPolarHBondContact OH-CE2 3.03Å; Y377-Y585 PolarHBondContact OH-OH 2.89Å; Y377-D649 PolarHBondContact OH-OD2 3.15Å; Y377-W655 AromaticContact CD1-CH2 3.91Å; Y377-W655 HydrophobicContact CD1-CH2 3.91Å; Y377-W655 AromaticContact CD1-CZ3 3.78Å; Y377-W655 HydrophobicContact CD1-CZ3 3.78Å; Y377-W655 HydrophobicContact CE1-CH2 4.46Å; Y377-W655 AromaticContact CE1-CZ3 3.86Å; Y377-W655 HydrophobicContact CE1-CZ3 3.86Å; Y377-V725 HydrophobicContact CE1-CG2 4.23Å; Y377-A728 HydrophobicContact CD1-CB 4.04Å; Y377-A728 HydrophobicContact CE1-CB 4.43Å; Y377-R780 HydrophobicContact CD2-CG 3.9Å; Y377-R780 HydrophobicContact CG-CG 3.78Å; Y377-S783 WeakPolarHBondContact O-CA 3.3Å; Y377-S783 WeakPolarHBondContact O-CB 3.36Å
378A98.5Very high97.4Very high0 Ų04.7 Ų4.70%02%0.023CC..Hα-helixtrans-74.6-29.2-177.200000113.7V374 H375 A381 M779 L782V374-A378 PolarHBondContact O-N 3.04Å; H375-A378 PolarHBondContact O-N 3.15Å; H375-A378 VanDerWaalsContact O-N 3.11Å; A378-A381 WeakPolarHBondContact O-CB 3.49Å; A378-A381 PolarHBondContact O-N 3.27Å; A378-M779 HydrophobicContact CB-CG 4.47Å; A378-M779 WeakPolarHBondContact CB-O 3.23Å; A378-L782 HydrophobicContact CB-CB 3.8Å; A378-L782 HydrophobicContact CB-CD1 4.02Å
379S98.2Very high97.3Very high0 Ų03.9 Ų3.90%02%0.019CC..Hα-helixtrans-62.4-23.3-168.150.20000116.5H375 F376 A381 L382 A383 Q462 R465H375-S379 WeakPolarHBondContact NE2-CB 3.4Å; H375-S379 WeakPolarHBondContact O-CA 3.2Å; H375-S379 WeakPolarHBondContact O-CB 3.29Å; H375-S379 PolarHBondContact O-N 2.91Å; H375-S379 PolarHBondContact O-OG 3.3Å; F376-S379 PolarHBondContact O-OG 2.91Å; F376-S379 VanDerWaalsContact O-OG 3.06Å; S379-A381 PolarHBondContact O-N 3.26Å; S379-L382 PolarHBondContact O-N 3.08Å; S379-L382 VanDerWaalsContact O-N 3.15Å; S379-A383 VanDerWaalsContact O-CB 3.29Å; S379-A383 WeakPolarHBondContact O-CB 2.87Å; S379-A383 PolarHBondContact O-N 2.91Å; S379-Q462 PolarHBondContact OG-OE1 2.92Å; S379-R465 VanDerWaalsContact CB-NH1 3.29Å; S379-R465 PolarHBondContact OG-NH1 3.43Å
380P98.3Very high97.3Very high4 Ų43.4 Ų3.43%0.0262%0.017CC..Hα-helixtrans-55-34167.9-29.640.3000113.2Y377 H384 S786Y377-P380 WeakPolarHBondContact O-CD 3.45Å; P380-H384 PolarHBondContact O-CD2 3.11Å; P380-H384 PolarHBondContact O-N 3.26Å; P380-S786 WeakPolarHBondContact CG-OG 3.38Å
381A98.1Very high97.1Very high0 Ų03.5 Ų3.50%02%0.018CC..Hα-helixtrans-62.7-49.2174.300000111.5L325 A378 S379 L385 L782 W785L325-A381 HydrophobicContact CD2-CB 4.16Å; A378-A381 WeakPolarHBondContact O-CB 3.49Å; A378-A381 PolarHBondContact O-N 3.27Å; S379-A381 PolarHBondContact O-N 3.26Å; A381-L385 WeakPolarHBondContact O-CB 3.38Å; A381-L385 VanDerWaalsContact O-CG 3.28Å; A381-L385 WeakPolarHBondContact O-CG 3.46Å; A381-L385 PolarHBondContact O-N 2.82Å; A381-L782 HydrophobicContact CB-CB 4.24Å; A381-W785 HydrophobicContact CB-CB 3.96Å; A381-W785 HydrophobicContact CB-CG 3.83Å
382L97.7Very high97Very high1 Ų13.5 Ų3.51%0.0052%0.018CC..Hα-helixtrans-69.5-43.7178.4-81.175.5000112I328 F358 Y360 S379 H384 L385 W386 Q390I328-L382 HydrophobicContact CD1-CD1 3.46Å; I328-L382 VanDerWaalsContact CD1-CD1 3.46Å; I328-L382 HydrophobicContact CD1-CG 4.39Å; F358-L382 HydrophobicContact CD1-CD2 3.98Å; F358-L382 HydrophobicContact CE1-CD2 3.83Å; Y360-L382 HydrophobicContact CE1-CD1 4.24Å; Y360-L382 HydrophobicContact CE1-CD2 3.96Å; S379-L382 PolarHBondContact O-N 3.08Å; S379-L382 VanDerWaalsContact O-N 3.15Å; L382-H384 VanDerWaalsContact C-N 3.27Å; L382-H384 PolarHBondContact O-N 3.13Å; L382-L385 PolarHBondContact O-N 3.25Å; L382-W386 CarbonylContact O-C 3.52Å; L382-W386 VanDerWaalsContact O-CA 3.31Å; L382-W386 WeakPolarHBondContact O-CA 3.32Å; L382-W386 PolarHBondContact O-N 3.25Å; L382-W386 VanDerWaalsContact O-O 3.14Å; L382-Q390 HydrophobicContact CB-CB 4.03Å
383A97.2Very high96.9Very high2 Ų23.5 Ų3.52%0.0172%0.018CC..Hα-helixtrans-59.6-38.3-176.600000112S379 P387 Q390 V469S379-A383 VanDerWaalsContact O-CB 3.29Å; S379-A383 WeakPolarHBondContact O-CB 2.87Å; S379-A383 PolarHBondContact O-N 2.91Å; A383-P387 WeakPolarHBondContact O-CB 3.37Å; A383-Q390 HydrophobicContact CB-CG 4.14Å; A383-V469 WeakPolarHBondContact O-CG1 3.4Å
384H94.6Very high96.9Very high33 Ų333.3 Ų3.315%0.1532%0.017CC..Hα-helixtrans-89.7-35.2-179.4-73.8-91.9000113.5H105 P380 L382 V789H105-H384 PolarHBondContact CE1-O 3.13Å; H105-H384 PolarHBondContact NE2-O 3.38Å; P380-H384 PolarHBondContact O-CD2 3.11Å; P380-H384 PolarHBondContact O-N 3.26Å; L382-H384 VanDerWaalsContact C-N 3.27Å; L382-H384 PolarHBondContact O-N 3.13Å; H384-V789 VanDerWaalsContact CD2-CG2 3.42Å; H384-V789 WeakPolarHBondContact CD2-CG2 3.2Å; H384-V789 WeakPolarHBondContact NE2-CG2 3.25Å
385L95.5Very high96.9Very high13 Ų133.8 Ų3.87%0.0682%0.019CC..Hα-helixtrans-95.6-34.3-174.9-56.3174.5000113.8P104 H105 L325 A381 L382 W785P104-L385 CarbonylContact C-O 3.55Å; P104-L385 VanDerWaalsContact CA-O 3.29Å; P104-L385 WeakPolarHBondContact CA-O 3.01Å; P104-L385 HydrophobicContact CB-CB 4Å; P104-L385 HydrophobicContact CB-CD2 3.97Å; P104-L385 HydrophobicContact CG-CB 4.15Å; P104-L385 HydrophobicContact CG-CD2 3.77Å; P104-L385 HydrophobicContact CG-CG 4.4Å; H105-L385 PolarHBondContact N-O 2.86Å; L325-L385 HydrophobicContact CD1-CD1 3.77Å; L325-L385 HydrophobicContact CD2-CD1 3.77Å; L325-L385 HydrophobicContact CG-CD1 4.41Å; A381-L385 WeakPolarHBondContact O-CB 3.38Å; A381-L385 VanDerWaalsContact O-CG 3.28Å; A381-L385 WeakPolarHBondContact O-CG 3.46Å; A381-L385 PolarHBondContact O-N 2.82Å; L382-L385 PolarHBondContact O-N 3.25Å; L385-W785 HydrophobicContact CD1-CD2 3.98Å; L385-W785 HydrophobicContact CD1-CE3 4.17Å; L385-W785 HydrophobicContact CD1-CH2 4Å; L385-W785 HydrophobicContact CD1-CZ2 3.79Å; L385-W785 HydrophobicContact CD1-CZ3 4.18Å; L385-W785 HydrophobicContact CD2-CE3 4.28Å; L385-W785 HydrophobicContact CD2-CH2 3.86Å; L385-W785 HydrophobicContact CD2-CZ2 4.49Å; L385-W785 HydrophobicContact CD2-CZ3 3.74Å; L385-W785 HydrophobicContact CG-CE3 4.34Å; L385-W785 HydrophobicContact CG-CH2 4.45Å; L385-W785 HydrophobicContact CG-CZ3 4.27Å
386W95.9Very high96.8Very high6 Ų64 Ų42%0.0232%0.019CC..SBendtrans-136.360.8178.5-62.1-78000111.1V102 I103 P104 Y107 L325 I328 L382 N388 L389 Q390V102-W386 HydrophobicContact CG1-CH2 3.8Å; V102-W386 HydrophobicContact CG1-CZ2 3.51Å; I103-W386 PolarHBondContact O-NE1 2.88Å; P104-W386 HydrophobicContact CG-CZ2 4.44Å; Y107-W386 HydrophobicContact CE1-CB 4.09Å; L325-W386 HydrophobicContact CD2-CZ3 4.38Å; I328-W386 HydrophobicContact CG1-CZ3 4.09Å; I328-W386 HydrophobicContact CG2-CH2 4.4Å; I328-W386 HydrophobicContact CG2-CZ3 4.15Å; L382-W386 CarbonylContact O-C 3.52Å; L382-W386 VanDerWaalsContact O-CA 3.31Å; L382-W386 WeakPolarHBondContact O-CA 3.32Å; L382-W386 PolarHBondContact O-N 3.25Å; L382-W386 VanDerWaalsContact O-O 3.14Å; W386-N388 PolarHBondContact O-N 3.3Å; W386-L389 HydrophobicContact CB-CB 4.13Å; W386-L389 HydrophobicContact CB-CD1 3.9Å; W386-L389 HydrophobicContact CB-CG 4.16Å; W386-L389 HydrophobicContact CG-CD1 4.17Å; W386-L389 WeakPolarHBondContact O-CB 3.37Å; W386-L389 PolarHBondContact O-N 3.5Å; W386-Q390 PolarHBondContact O-N 3.33Å
387P94.5Very high96.8Very high3 Ų34 Ų42%0.0192%0.019CC..Hα-helixtrans-53.2-35.2-172.116.8-31.8000113.7Y107 A383 L389 Q390 V391 L470 L473 L532Y107-P387 WeakPolarHBondContact OH-CD 3.5Å; A383-P387 WeakPolarHBondContact O-CB 3.37Å; P387-L389 VanDerWaalsContact C-N 3.35Å; P387-L389 PolarHBondContact O-N 3.15Å; P387-Q390 WeakPolarHBondContact O-CB 3.47Å; P387-Q390 PolarHBondContact O-N 3.48Å; P387-V391 WeakPolarHBondContact O-CB 3.37Å; P387-V391 WeakPolarHBondContact O-CG2 3.36Å; P387-V391 PolarHBondContact O-N 3.3Å; P387-L470 HydrophobicContact CB-CD2 4.13Å; P387-L473 HydrophobicContact CB-CD1 4.12Å; P387-L473 HydrophobicContact CG-CD1 3.87Å; P387-L532 HydrophobicContact CB-CD1 3.9Å; P387-L532 HydrophobicContact CG-CD1 3.63Å
388N90.5Very high96.8Very high1 Ų15.5 Ų5.51%0.0053%0.026CC..Hα-helixtrans-73.8-26-179.9-62.1-40.1000112.8Y107 Y355 W386 S392 Y531 M533Y107-N388 HydrophobicContact CE1-CB 3.95Å; Y107-N388 HydrophobicContact CE2-CB 4.34Å; Y107-N388 WeakPolarHBondContact OH-CB 3.5Å; Y107-N388 PolarHBondContact OH-N 2.96Å; Y107-N388 PolarHBondContact OH-ND2 3.03Å; Y355-N388 HydrophobicContact CD1-CB 3.96Å; Y355-N388 HydrophobicContact CD2-CB 3.53Å; Y355-N388 HydrophobicContact CE1-CB 4.07Å; Y355-N388 HydrophobicContact CE2-CB 3.62Å; Y355-N388 HydrophobicContact CG-CB 3.69Å; Y355-N388 PolarHBondContact OH-ND2 3.26Å; Y355-N388 VanDerWaalsContact OH-ND2 3.13Å; W386-N388 PolarHBondContact O-N 3.3Å; N388-S392 WeakPolarHBondContact O-CB 3.43Å; N388-S392 PolarHBondContact O-N 3.1Å; N388-S392 PolarHBondContact O-OG 3.07Å; N388-Y531 PolarHBondContact ND2-O 2.78Å; N388-M533 PolarHBondContact OD1-N 2.89Å; N388-M533 VanDerWaalsContact OD1-N 3.15Å
389L95.9Very high96.7Very high4 Ų48.5 Ų8.52%0.0214%0.042CC..Hα-helixtrans-73.2-40.3170.4-65.8178.8000111.3Y107 W335 F358 W386 P387 V391 S392 L393Y107-L389 HydrophobicContact CD1-CD1 4.35Å; Y107-L389 HydrophobicContact CD1-CD2 4.38Å; Y107-L389 HydrophobicContact CD1-CG 4.01Å; Y107-L389 HydrophobicContact CE1-CD1 4.42Å; Y107-L389 HydrophobicContact CE1-CG 3.86Å; W335-L389 HydrophobicContact CD2-CD2 4.36Å; W335-L389 HydrophobicContact CH2-CD1 4.06Å; W335-L389 HydrophobicContact CH2-CD2 4.21Å; W335-L389 HydrophobicContact CZ2-CD1 4.17Å; W335-L389 HydrophobicContact CZ2-CD2 3.49Å; W335-L389 VanDerWaalsContact CZ2-CD2 3.49Å; W335-L389 HydrophobicContact CZ2-CG 4.3Å; W335-L389 HydrophobicContact CZ3-CD1 4.3Å; F358-L389 HydrophobicContact CB-CB 4.36Å; F358-L389 HydrophobicContact CB-CD2 4.08Å; F358-L389 HydrophobicContact CD2-CD1 3.77Å; F358-L389 HydrophobicContact CD2-CD2 4.09Å; F358-L389 HydrophobicContact CD2-CG 4.36Å; F358-L389 HydrophobicContact CE2-CD1 3.89Å; F358-L389 HydrophobicContact CG-CB 4.25Å; F358-L389 HydrophobicContact CG-CD1 4.25Å; F358-L389 HydrophobicContact CG-CD2 4.27Å; F358-L389 HydrophobicContact CG-CG 4.47Å; F358-L389 HydrophobicContact CZ-CD1 4.47Å; W386-L389 HydrophobicContact CB-CB 4.13Å; W386-L389 HydrophobicContact CB-CD1 3.9Å; W386-L389 HydrophobicContact CB-CG 4.16Å; W386-L389 HydrophobicContact CG-CD1 4.17Å; W386-L389 WeakPolarHBondContact O-CB 3.37Å; W386-L389 PolarHBondContact O-N 3.5Å; P387-L389 VanDerWaalsContact C-N 3.35Å; P387-L389 PolarHBondContact O-N 3.15Å; L389-V391 VanDerWaalsContact C-N 3.3Å; L389-V391 PolarHBondContact O-N 3.01Å; L389-S392 PolarHBondContact O-N 2.7Å; L389-L393 WeakPolarHBondContact O-CB 3.43Å; L389-L393 PolarHBondContact O-N 2.93Å
390Q98Very high96.6Very high1 Ų18.9 Ų8.91%0.0055%0.045CC..Hα-helixtrans-57.2-46.9171.7173.956.824.300110.8H375 L382 A383 W386 P387 L393 Q394 D466H375-Q390 PolarHBondContact CE1-OE1 3.36Å; H375-Q390 VanDerWaalsContact CE1-OE1 3.29Å; H375-Q390 PolarHBondContact NE2-OE1 3.48Å; L382-Q390 HydrophobicContact CB-CB 4.03Å; A383-Q390 HydrophobicContact CB-CG 4.14Å; W386-Q390 PolarHBondContact O-N 3.33Å; P387-Q390 WeakPolarHBondContact O-CB 3.47Å; P387-Q390 PolarHBondContact O-N 3.48Å; Q390-L393 WeakPolarHBondContact O-CB 3.28Å; Q390-L393 PolarHBondContact O-N 2.82Å; Q390-Q394 VanDerWaalsContact O-CG 3.25Å; Q390-Q394 WeakPolarHBondContact O-CG 3.46Å; Q390-Q394 PolarHBondContact O-N 3.45Å; Q390-D466 WeakPolarHBondContact CG-OD1 3.37Å; Q390-D466 WeakPolarHBondContact CG-OD2 3.44Å; Q390-D466 PolarHBondContact NE2-OD2 3.07Å
391V95.6Very high96.6Very high1 Ų18.7 Ų8.71%0.0064%0.044CC..Hα-helixtrans-62.2-46.9176.5165.40000111.8P351 P387 L389 L393 Q394 Y395 L470 M533 Y538P351-V391 HydrophobicContact CB-CG1 3.95Å; P351-V391 HydrophobicContact CG-CG1 3.55Å; P387-V391 WeakPolarHBondContact O-CB 3.37Å; P387-V391 WeakPolarHBondContact O-CG2 3.36Å; P387-V391 PolarHBondContact O-N 3.3Å; L389-V391 VanDerWaalsContact C-N 3.3Å; L389-V391 PolarHBondContact O-N 3.01Å; V391-L393 VanDerWaalsContact C-N 3.29Å; V391-L393 PolarHBondContact O-N 3.36Å; V391-Q394 WeakPolarHBondContact O-CB 3.02Å; V391-Q394 PolarHBondContact O-N 2.83Å; V391-Q394 VanDerWaalsContact O-N 3.09Å; V391-Y395 HydrophobicContact CG1-CD2 4.03Å; V391-Y395 HydrophobicContact CG1-CE2 3.98Å; V391-Y395 WeakPolarHBondContact O-CD2 3.44Å; V391-Y395 PolarHBondContact O-N 3.27Å; V391-L470 HydrophobicContact CG2-CD1 3.88Å; V391-L470 HydrophobicContact CG2-CD2 4.31Å; V391-M533 HydrophobicContact CG1-CB 4.3Å; V391-M533 HydrophobicContact CG1-CG 4.02Å; V391-M533 HydrophobicContact CG2-CB 4.32Å; V391-Y538 HydrophobicContact CB-CD2 4.4Å; V391-Y538 HydrophobicContact CB-CE2 4.31Å; V391-Y538 HydrophobicContact CG1-CD2 3.74Å; V391-Y538 HydrophobicContact CG1-CE2 3.97Å; V391-Y538 HydrophobicContact CG2-CD2 3.98Å; V391-Y538 HydrophobicContact CG2-CE2 3.97Å
392S95.6Very high96.5Very high0 Ų011.6 Ų11.60%07%0.068CC..Hα-helixtrans-55.9-44.3176.1-83.70000112.2G356 N388 L389 Q394 Y395 D396G356-S392 VanDerWaalsContact O-CB 3.26Å; G356-S392 WeakPolarHBondContact O-CB 3.02Å; G356-S392 PolarHBondContact O-OG 3.13Å; N388-S392 WeakPolarHBondContact O-CB 3.43Å; N388-S392 PolarHBondContact O-N 3.1Å; N388-S392 PolarHBondContact O-OG 3.07Å; L389-S392 PolarHBondContact O-N 2.7Å; S392-Q394 VanDerWaalsContact C-N 3.33Å; S392-Q394 PolarHBondContact O-N 2.86Å; S392-Y395 PolarHBondContact O-N 3.42Å; S392-D396 PolarHBondContact O-N 2.98Å
393L97.8Very high96.4Very high0 Ų013.2 Ų13.20%08%0.081CC..Hα-helixtrans-59.8-43.1175.5-179.1158000111.1Y360 N370 Y372 L389 Q390 V391 Y395 D396 F397Y360-L393 HydrophobicContact CE1-CD1 4.26Å; N370-L393 HydrophobicContact CB-CD1 4.18Å; N370-L393 VanDerWaalsContact ND2-CD1 3.35Å; N370-L393 WeakPolarHBondContact ND2-CD1 2.89Å; Y372-L393 HydrophobicContact CE2-CD2 4.23Å; L389-L393 WeakPolarHBondContact O-CB 3.43Å; L389-L393 PolarHBondContact O-N 2.93Å; Q390-L393 WeakPolarHBondContact O-CB 3.28Å; Q390-L393 PolarHBondContact O-N 2.82Å; V391-L393 VanDerWaalsContact C-N 3.29Å; V391-L393 PolarHBondContact O-N 3.36Å; L393-Y395 VanDerWaalsContact C-N 3.32Å; L393-Y395 PolarHBondContact O-N 3.08Å; L393-D396 WeakPolarHBondContact O-CB 3.43Å; L393-D396 PolarHBondContact O-N 3.46Å; L393-D396 VanDerWaalsContact O-N 3.09Å; L393-F397 HydrophobicContact CD2-CD2 3.7Å; L393-F397 HydrophobicContact CD2-CE2 3.81Å; L393-F397 HydrophobicContact CG-CD2 4.38Å; L393-F397 HydrophobicContact CG-CE2 4.32Å; L393-F397 WeakPolarHBondContact O-CD2 3.46Å; L393-F397 PolarHBondContact O-N 2.75Å; L393-F397 VanDerWaalsContact O-N 3.14Å
394Q98.2Very high96.3Very high0 Ų017.1 Ų17.10%010%0.099CC..Hα-helixtrans-63.9-35.2177.9-68.4-79.157.700113.2Y372 Q390 V391 S392 D396 F397 K398 D466 Y538 M542Y372-Q394 PolarHBondContact OH-NE2 2.72Å; Y372-Q394 PolarHBondContact OH-OE1 3.4Å; Q390-Q394 VanDerWaalsContact O-CG 3.25Å; Q390-Q394 WeakPolarHBondContact O-CG 3.46Å; Q390-Q394 PolarHBondContact O-N 3.45Å; V391-Q394 WeakPolarHBondContact O-CB 3.02Å; V391-Q394 PolarHBondContact O-N 2.83Å; V391-Q394 VanDerWaalsContact O-N 3.09Å; S392-Q394 VanDerWaalsContact C-N 3.33Å; S392-Q394 PolarHBondContact O-N 2.86Å; Q394-D396 VanDerWaalsContact C-N 3.31Å; Q394-D396 PolarHBondContact O-N 3.02Å; Q394-F397 PolarHBondContact O-N 3.41Å; Q394-K398 WeakPolarHBondContact O-CB 3.22Å; Q394-K398 PolarHBondContact O-N 2.74Å; Q394-D466 VanDerWaalsContact CG-OD2 3.31Å; Q394-D466 WeakPolarHBondContact CG-OD2 3.11Å; Q394-D466 PolarHBondContact NE2-OD2 3.42Å; Q394-Y538 HydrophobicContact CB-CE2 4.13Å; Q394-Y538 WeakPolarHBondContact CG-OH 3.24Å; Q394-Y538 PolarHBondContact NE2-OH 3.36Å; Q394-M542 HydrophobicContact CB-CE 3.93Å
395Y97.7Very high96.4Very high11 Ų1117.3 Ų17.34%0.04310%0.101CC..Hα-helixtrans-64.7-35.3172.9-90.5-108000112.3D350 P351 V391 S392 L393 K398 D399 M533 Y538 A541 M542D350-Y395 VanDerWaalsContact OD2-CD1 3.23Å; D350-Y395 WeakPolarHBondContact OD2-CD1 3.47Å; P351-Y395 HydrophobicContact CG-CD1 4.41Å; P351-Y395 HydrophobicContact CG-CD2 3.56Å; P351-Y395 HydrophobicContact CG-CE1 4.37Å; P351-Y395 HydrophobicContact CG-CE2 3.52Å; P351-Y395 HydrophobicContact CG-CG 4.03Å; V391-Y395 HydrophobicContact CG1-CD2 4.03Å; V391-Y395 HydrophobicContact CG1-CE2 3.98Å; V391-Y395 WeakPolarHBondContact O-CD2 3.44Å; V391-Y395 PolarHBondContact O-N 3.27Å; S392-Y395 PolarHBondContact O-N 3.42Å; L393-Y395 VanDerWaalsContact C-N 3.32Å; L393-Y395 PolarHBondContact O-N 3.08Å; Y395-K398 VanDerWaalsContact CD1-NZ 3.27Å; Y395-K398 WeakPolarHBondContact O-CB 3.31Å; Y395-K398 PolarHBondContact O-N 3.11Å; Y395-D399 PolarHBondContact O-N 3.43Å; Y395-D399 VanDerWaalsContact O-N 3.11Å; Y395-M533 HydrophobicContact CE2-CE 4.44Å; Y395-M533 WeakPolarHBondContact OH-CE 3.31Å; Y395-Y538 AromaticContact CE2-CD2 3.93Å; Y395-Y538 HydrophobicContact CE2-CD2 3.93Å; Y395-Y538 HydrophobicContact CE2-CE2 4.33Å; Y395-A541 HydrophobicContact CE1-CB 4.22Å; Y395-A541 WeakPolarHBondContact OH-CB 3.35Å; Y395-M542 HydrophobicContact CD1-CE 4.45Å; Y395-M542 HydrophobicContact CD2-CE 3.12Å; Y395-M542 HydrophobicContact CE2-CE 3.36Å; Y395-M542 HydrophobicContact CG-CE 3.74Å
396D97.8Very high96.3Very high3 Ų322.3 Ų22.32%0.01613%0.128CC..Hα-helixtrans-65.5-41.7174.1-72.6-35000111.8R352 R357 S392 L393 Q394 D399 A400 L430R352-D396 WeakPolarHBondContact CD-OD1 3.37Å; R352-D396 IonicContact CZ-OD1 3.62Å; R352-D396 IonicContact NH1-OD1 2.79Å; R352-D396 PolarHBondContact NH1-OD1 3.3Å; R357-D396 IonicContact CZ-OD1 2.81Å; R357-D396 VanDerWaalsContact CZ-OD1 3.24Å; R357-D396 IonicContact CZ-OD2 3.14Å; R357-D396 VanDerWaalsContact NE-CG 3.31Å; R357-D396 IonicContact NE-OD1 2.74Å; R357-D396 PolarHBondContact NE-OD1 3.31Å; R357-D396 IonicContact NE-OD2 3.55Å; R357-D396 PolarHBondContact NE-OD2 3.06Å; R357-D396 VanDerWaalsContact NE-OD2 3.1Å; R357-D396 IonicContact NH2-OD1 3.65Å; R357-D396 PolarHBondContact NH2-OD1 3.2Å; R357-D396 IonicContact NH2-OD2 3.78Å; S392-D396 PolarHBondContact O-N 2.98Å; L393-D396 WeakPolarHBondContact O-CB 3.43Å; L393-D396 PolarHBondContact O-N 3.46Å; L393-D396 VanDerWaalsContact O-N 3.09Å; Q394-D396 VanDerWaalsContact C-N 3.31Å; Q394-D396 PolarHBondContact O-N 3.02Å; D396-D399 PolarHBondContact O-N 3.45Å; D396-A400 VanDerWaalsContact O-CB 3.31Å; D396-A400 WeakPolarHBondContact O-CB 3.48Å; D396-A400 PolarHBondContact O-N 2.99Å; D396-L430 HydrophobicContact CB-CD1 3.94Å
397F98.6Very high96.2Very high0 Ų025.3 Ų25.30%014%0.144CC..Hα-helixtrans-67.8-39173.7-84.2-86.5000113.1N370 Y372 L393 Q394 D399 A400 I401 V426 P427 L430 F459N370-F397 HydrophobicContact CB-CE2 3.84Å; N370-F397 HydrophobicContact CB-CZ 4.11Å; N370-F397 VanDerWaalsContact O-CZ 3.23Å; N370-F397 WeakPolarHBondContact O-CZ 3.31Å; Y372-F397 AromaticContact CD2-CD1 3.53Å; Y372-F397 HydrophobicContact CD2-CD1 3.53Å; Y372-F397 AromaticContact CD2-CD2 3.57Å; Y372-F397 HydrophobicContact CD2-CD2 3.57Å; Y372-F397 AromaticContact CD2-CE1 3.33Å; Y372-F397 HydrophobicContact CD2-CE1 3.33Å; Y372-F397 AromaticContact CD2-CE2 3.37Å; Y372-F397 HydrophobicContact CD2-CE2 3.37Å; Y372-F397 AromaticContact CD2-CG 3.66Å; Y372-F397 HydrophobicContact CD2-CG 3.66Å; Y372-F397 AromaticContact CD2-CZ 3.27Å; Y372-F397 HydrophobicContact CD2-CZ 3.27Å; Y372-F397 HydrophobicContact CE2-CB 4.24Å; Y372-F397 AromaticContact CE2-CD1 3.87Å; Y372-F397 HydrophobicContact CE2-CD1 3.87Å; Y372-F397 AromaticContact CE2-CD2 3.58Å; Y372-F397 HydrophobicContact CE2-CD2 3.58Å; Y372-F397 HydrophobicContact CE2-CE1 4.14Å; Y372-F397 AromaticContact CE2-CE2 3.87Å; Y372-F397 HydrophobicContact CE2-CE2 3.87Å; Y372-F397 AromaticContact CE2-CG 3.6Å; Y372-F397 HydrophobicContact CE2-CG 3.6Å; Y372-F397 HydrophobicContact CE2-CZ 4.15Å; Y372-F397 AromaticContact CG-CD1 3.9Å; Y372-F397 HydrophobicContact CG-CD1 3.9Å; Y372-F397 AromaticContact CG-CE1 3.56Å; Y372-F397 HydrophobicContact CG-CE1 3.56Å; Y372-F397 HydrophobicContact CG-CE2 4.37Å; Y372-F397 HydrophobicContact CG-CG 4.46Å; Y372-F397 AromaticContact CG-CZ 3.84Å; Y372-F397 HydrophobicContact CG-CZ 3.84Å; L393-F397 HydrophobicContact CD2-CD2 3.7Å; L393-F397 HydrophobicContact CD2-CE2 3.81Å; L393-F397 HydrophobicContact CG-CD2 4.38Å; L393-F397 HydrophobicContact CG-CE2 4.32Å; L393-F397 WeakPolarHBondContact O-CD2 3.46Å; L393-F397 PolarHBondContact O-N 2.75Å; L393-F397 VanDerWaalsContact O-N 3.14Å; Q394-F397 PolarHBondContact O-N 3.41Å; F397-D399 VanDerWaalsContact C-N 3.29Å; F397-D399 PolarHBondContact O-N 3.38Å; F397-A400 CarbonylContact O-C 3.35Å; F397-A400 PolarHBondContact O-N 3.44Å; F397-A400 VanDerWaalsContact O-N 3.13Å; F397-I401 VanDerWaalsContact O-CG1 3.31Å; F397-I401 WeakPolarHBondContact O-CG1 3.11Å; F397-I401 PolarHBondContact O-N 2.93Å; F397-V426 HydrophobicContact CD1-CG1 4.02Å; F397-V426 HydrophobicContact CE1-CG1 4.45Å; F397-P427 HydrophobicContact CD1-CG 3.76Å; F397-P427 HydrophobicContact CE1-CG 3.76Å; F397-P427 WeakPolarHBondContact CE1-O 3.45Å; F397-L430 HydrophobicContact CD1-CD2 4.33Å; F397-L430 HydrophobicContact CD2-CD1 4.02Å; F397-L430 HydrophobicContact CD2-CD2 4.31Å; F397-L430 HydrophobicContact CD2-CG 4.32Å; F397-L430 HydrophobicContact CE1-CD2 4.02Å; F397-L430 HydrophobicContact CE1-CG 4.25Å; F397-L430 HydrophobicContact CE2-CD1 3.53Å; F397-L430 HydrophobicContact CE2-CD2 4.01Å; F397-L430 HydrophobicContact CE2-CG 3.62Å; F397-L430 HydrophobicContact CG-CD2 4.45Å; F397-L430 HydrophobicContact CZ-CD1 4.04Å; F397-L430 HydrophobicContact CZ-CD2 3.83Å; F397-L430 HydrophobicContact CZ-CG 3.56Å; F397-F459 HydrophobicContact CB-CD2 4.1Å; F397-F459 HydrophobicContact CB-CE2 3.73Å
398K97.8Very high96.2Very high33 Ų3329.5 Ų29.514%0.14317%0.17CC..Hα-helixtrans-54.6-46.6174.7-178.5-155.467.8179.10111.3Q394 Y395 F459 A541 M542 S545Q394-K398 WeakPolarHBondContact O-CB 3.22Å; Q394-K398 PolarHBondContact O-N 2.74Å; Y395-K398 VanDerWaalsContact CD1-NZ 3.27Å; Y395-K398 WeakPolarHBondContact O-CB 3.31Å; Y395-K398 PolarHBondContact O-N 3.11Å; K398-F459 HydrophobicContact CB-CZ 4.38Å; K398-A541 WeakPolarHBondContact CD-O 3.36Å; K398-M542 HydrophobicContact CB-CE 4.29Å; K398-M542 HydrophobicContact CB-SD 3.67Å; K398-M542 HydrophobicContact CD-CE 4.28Å; K398-M542 HydrophobicContact CD-SD 3.79Å; K398-M542 HydrophobicContact CG-SD 3.8Å; K398-S545 VanDerWaalsContact CG-OG 3.29Å; K398-S545 WeakPolarHBondContact CG-OG 3.43Å
399D96.5Very high96.3Very high62 Ų6231.5 Ų31.533%0.33218%0.178SC..Hα-helixtrans-69.1-39.3177.9-64.7-12.7000110.9R352 Y395 D396 F397 I401 A402 A403R352-D399 IonicContact CZ-OD2 3.64Å; R352-D399 IonicContact NH1-OD2 3.45Å; R352-D399 PolarHBondContact NH1-OD2 3.25Å; R352-D399 IonicContact NH2-OD1 3.92Å; R352-D399 IonicContact NH2-OD2 3.85Å; R352-D399 PolarHBondContact NH2-OD2 2.67Å; Y395-D399 PolarHBondContact O-N 3.43Å; Y395-D399 VanDerWaalsContact O-N 3.11Å; D396-D399 PolarHBondContact O-N 3.45Å; F397-D399 VanDerWaalsContact C-N 3.29Å; F397-D399 PolarHBondContact O-N 3.38Å; D399-I401 VanDerWaalsContact C-N 3.33Å; D399-I401 PolarHBondContact O-N 3.26Å; D399-A402 PolarHBondContact O-N 3.16Å; D399-A403 PolarHBondContact O-N 3.02Å
400A97.5Very high96.3Very high8 Ų837.8 Ų37.87%0.06621%0.205CC..Hα-helixtrans-68-27.2179.700000114.2D396 F397 A402 A403 K421 P427 L430 I441D396-A400 VanDerWaalsContact O-CB 3.31Å; D396-A400 WeakPolarHBondContact O-CB 3.48Å; D396-A400 PolarHBondContact O-N 2.99Å; F397-A400 CarbonylContact O-C 3.35Å; F397-A400 PolarHBondContact O-N 3.44Å; F397-A400 VanDerWaalsContact O-N 3.13Å; A400-A402 VanDerWaalsContact C-N 3.29Å; A400-A402 PolarHBondContact O-N 3.32Å; A400-A403 WeakPolarHBondContact O-CB 3.34Å; A400-A403 PolarHBondContact O-N 3.29Å; A400-K421 WeakPolarHBondContact O-CE 3.23Å; A400-K421 PolarHBondContact O-NZ 2.94Å; A400-P427 HydrophobicContact CB-CG 3.69Å; A400-L430 HydrophobicContact CB-CD2 4.23Å; A400-I441 HydrophobicContact CB-CD1 3.75Å
401I98.4Very high96.2Very high1 Ų138.2 Ų38.21%0.00521%0.207CC..Hα-helixtrans-59.6-41.6171.8-74.7162.6000111F397 D399 A403 K421 N424 C425 V426 F459 I549F397-I401 VanDerWaalsContact O-CG1 3.31Å; F397-I401 WeakPolarHBondContact O-CG1 3.11Å; F397-I401 PolarHBondContact O-N 2.93Å; D399-I401 VanDerWaalsContact C-N 3.33Å; D399-I401 PolarHBondContact O-N 3.26Å; I401-A403 VanDerWaalsContact C-N 3.32Å; I401-K421 PolarHBondContact O-NZ 3Å; I401-N424 PolarHBondContact O-N 3.35Å; I401-C425 WeakPolarHBondContact CA-O 3.44Å; I401-V426 HydrophobicContact CD1-CG2 3.86Å; I401-V426 HydrophobicContact CG1-CB 4.45Å; I401-V426 HydrophobicContact CG1-CG2 3.89Å; I401-F459 HydrophobicContact CD1-CD1 3.9Å; I401-F459 HydrophobicContact CD1-CD2 3.9Å; I401-F459 HydrophobicContact CD1-CE1 3.66Å; I401-F459 HydrophobicContact CD1-CE2 3.7Å; I401-F459 HydrophobicContact CD1-CG 4.02Å; I401-F459 HydrophobicContact CD1-CZ 3.58Å; I401-I549 HydrophobicContact CB-CG2 4.48Å; I401-I549 HydrophobicContact CD1-CD1 4.39Å; I401-I549 HydrophobicContact CD1-CG2 4.14Å; I401-I549 HydrophobicContact CG1-CG2 4.18Å; I401-I549 HydrophobicContact CG2-CG2 3.45Å; I401-I549 VanDerWaalsContact CG2-CG2 3.45Å
402A95.5Very high96.2Very high61 Ų6143.9 Ų43.950%0.50424%0.236SC..Hα-helixtrans-79.2-16179.600000113.1D399 A400D399-A402 PolarHBondContact O-N 3.16Å; A400-A402 VanDerWaalsContact C-N 3.29Å; A400-A402 PolarHBondContact O-N 3.32Å
403A95.4Very high96.2Very high34 Ų3449.5 Ų49.528%0.28126%0.258SS..  trans-71.5153.5179.400000112.7D399 A400 I401 K421 I441D399-A403 PolarHBondContact O-N 3.02Å; A400-A403 WeakPolarHBondContact O-CB 3.34Å; A400-A403 PolarHBondContact O-N 3.29Å; I401-A403 VanDerWaalsContact C-N 3.32Å; A403-K421 WeakPolarHBondContact O-CG 3.06Å; A403-K421 PolarHBondContact O-NZ 3.38Å; A403-I441 HydrophobicContact CB-CD1 4.23Å
404E95.7Very high95.9Very high85 Ų8552.7 Ų52.740%0.39728%0.276SS..  trans-138.3125.8178.4-174167.9-141.700108.7K421 K423E404-K421 WeakPolarHBondContact CA-O 3.49Å; E404-K423 HydrophobicContact CB-CD 4.48Å; E404-K423 HydrophobicContact CB-CG 3.86Å; E404-K423 HydrophobicContact CG-CG 4.35Å; E404-K423 WeakPolarHBondContact OE2-CE 3.33Å; E404-K423 IonicContact OE2-NZ 3.77Å; E404-K423 PolarHBondContact OE2-NZ 3.36Å
405L96Very high95.8Very high36 Ų3654.2 Ų54.219%0.18829%0.291CS..EExtended strand (participates in β ladder)trans-124.3105.9178.3-62.8-178.8000108.2D407 R420 K421 I441L405-D407 VanDerWaalsContact C-N 3.33Å; L405-D407 WeakPolarHBondContact CB-OD1 3.44Å; L405-R420 HydrophobicContact CB-CB 4.1Å; L405-R420 HydrophobicContact CB-CG 4.39Å; L405-R420 HydrophobicContact CD1-CG 4.35Å; L405-R420 PolarHBondContact O-N 2.95Å; L405-K421 HydrophobicContact CB-CB 3.87Å; L405-K421 HydrophobicContact CD1-CB 4.4Å; L405-K421 HydrophobicContact CG-CB 4.11Å; L405-K421 PolarHBondContact N-O 3.32Å; L405-K421 PolarHBondContact O-N 3.09Å; L405-K421 VanDerWaalsContact O-N 3.16Å; L405-I441 HydrophobicContact CD1-CG1 3.77Å
406N93.2Very high95.7Very high118 Ų11859.4 Ų59.463%0.63131%0.314SS*.EExtended strand (participates in β ladder)trans-85.7-2.8-174.6-68.6-42.3000113.5T408N406-T408 PolarHBondContact O-N 3.4Å
407D93.7Very high95.6Very high69 Ų6963.6 Ų63.637%0.36934%0.34SS..EExtended strand (participates in β ladder)trans-60.313916663.4-64.8000108.8L405 R420L405-D407 VanDerWaalsContact C-N 3.33Å; L405-D407 WeakPolarHBondContact CB-OD1 3.44Å; D407-R420 VanDerWaalsContact O-CB 3.3Å; D407-R420 WeakPolarHBondContact O-CB 3.32Å; D407-R420 PolarHBondContact O-N 2.75Å; D407-R420 WeakPolarHBondContact OD2-CD 3.5Å; D407-R420 IonicContact OD2-NH1 3.65Å
408T94.1Very high95.4Very high91 Ų9166.5 Ų66.556%0.55835%0.354SS*.EExtended strand (participates in β ladder)trans-97.9143.7-175.656.40000110.3N406 V417 M418N406-T408 PolarHBondContact O-N 3.4Å; T408-V417 HydrophobicContact CG2-CG1 4.23Å; T408-M418 CarbonylContact C-O 3.43Å; T408-M418 VanDerWaalsContact CA-O 3.23Å; T408-M418 WeakPolarHBondContact CA-O 3.28Å
409R93.6Very high95.4Very high43 Ų4367.1 Ų67.116%0.16236%0.362CS..EExtended strand (participates in β ladder)trans-121.5140.8173.8-70.7-166.2169.7-137.6-11.6110M411 V417 M418 E435 C443R409-M411 HydrophobicContact CB-CE 4.19Å; R409-V417 WeakPolarHBondContact O-CA 3.26Å; R409-M418 PolarHBondContact N-O 3.48Å; R409-M418 PolarHBondContact O-N 3.25Å; R409-E435 IonicContact CZ-OE1 3.39Å; R409-E435 VanDerWaalsContact NH2-CD 3.29Å; R409-E435 IonicContact NH2-OE1 3.96Å; R409-E435 PolarHBondContact NH2-OE1 3.3Å; R409-E435 IonicContact NH2-OE2 3.29Å; R409-E435 PolarHBondContact NH2-OE2 2.95Å; R409-C443 PolarHBondContact NH1-O 2.83Å
410K96.2Very high95.3Very high137 Ų13764.6 Ų64.660%0.59635%0.347SS*.EExtended strand (participates in β ladder)trans-83.6121.6169.8-173.8179.9178.6-177.10108.5K416 V417K410-K416 CarbonylContact C-O 3.6Å; K410-K416 WeakPolarHBondContact CA-O 3.39Å; K410-V417 HydrophobicContact CB-CG2 4.32Å; K410-V417 HydrophobicContact CG-CG2 4.4Å
411M95.6Very high95.3Very high10 Ų1064.2 Ų64.25%0.04934%0.344CS..  trans-73.8132.7177-56.8-50.715900110R409 Y413 G415 K416 M418 N445 D448R409-M411 HydrophobicContact CB-CE 4.19Å; M411-Y413 VanDerWaalsContact C-N 3.32Å; M411-G415 WeakPolarHBondContact O-CA 3.27Å; M411-G415 PolarHBondContact O-N 3.1Å; M411-K416 PolarHBondContact N-O 2.77Å; M411-M418 HydrophobicContact CE-CB 3.76Å; M411-M418 HydrophobicContact CE-CG 4.31Å; M411-N445 CarbonylContact C-O 3.6Å; M411-N445 WeakPolarHBondContact CA-O 3.44Å; M411-D448 HydrophobicContact CE-CB 4.32Å; M411-D448 HydrophobicContact CG-CB 4.33Å
412L96.3Very high95.2Very high119 Ų11966.3 Ų66.362%0.62336%0.357SS*.THydrogen-bonded Turntrans-71.9-28.6-176.1-58.4178.1000112.2N445 I446L412-N445 PolarHBondContact N-O 2.59Å; L412-I446 HydrophobicContact CD1-CG1 4.22Å; L412-I446 PolarHBondContact N-O 2.94Å
413Y93.7Very high95.3Very high118 Ų11868 Ų6846%0.46335%0.353SS..THydrogen-bonded Turntrans-69.4-51-176.2-175.3-100.8000113.6M411 I446 H447 M569 P570M411-Y413 VanDerWaalsContact C-N 3.32Å; Y413-I446 WeakPolarHBondContact CB-O 3.42Å; Y413-I446 PolarHBondContact N-O 3.49Å; Y413-H447 VanDerWaalsContact CB-CE1 3.48Å; Y413-H447 WeakPolarHBondContact CB-CE1 3.26Å; Y413-H447 AromaticContact CD1-CE1 3.65Å; Y413-H447 AromaticContact CD1-ND1 3.88Å; Y413-H447 AromaticContact CD2-CE1 3.19Å; Y413-H447 WeakPolarHBondContact CD2-CE1 3.48Å; Y413-H447 AromaticContact CD2-NE2 3.79Å; Y413-H447 AromaticContact CE2-CE1 3.71Å; Y413-H447 AromaticContact CG-CE1 3.14Å; Y413-H447 AromaticContact CG-ND1 3.62Å; Y413-M569 HydrophobicContact CD1-CE 3.78Å; Y413-M569 HydrophobicContact CE1-CE 3.42Å; Y413-M569 VanDerWaalsContact CE1-CE 3.42Å; Y413-M569 HydrophobicContact CE1-SD 4.33Å; Y413-P570 HydrophobicContact CE2-CG 4.44Å
414D93.3Very high95.3Very high68 Ų6869.8 Ų69.836%0.36436%0.358SS..THydrogen-bonded Turntrans-121.7-1.6-174.668.95000114.3K416D414-K416 VanDerWaalsContact C-N 3.25Å; D414-K416 PolarHBondContact O-N 2.86Å; D414-K416 VanDerWaalsContact OD1-CB 3.31Å; D414-K416 WeakPolarHBondContact OD1-CB 3.21Å; D414-K416 WeakPolarHBondContact OD1-CG 3.17Å; D414-K416 PolarHBondContact OD1-N 3.05Å; D414-K416 WeakPolarHBondContact OD2-CD 3.46Å; D414-K416 WeakPolarHBondContact OD2-CE 3.26Å; D414-K416 IonicContact OD2-NZ 2.99Å; D414-K416 PolarHBondContact OD2-NZ 3.08Å
415G95.6Very high95.4Very high32 Ų3265.9 Ų65.933%0.3334%0.34SS..  trans754.8178.800000115.3M411M411-G415 WeakPolarHBondContact O-CA 3.27Å; M411-G415 PolarHBondContact O-N 3.1Å
416K94.6Very high95.5Very high119 Ų11964.2 Ų64.252%0.51733%0.331SS..  trans-64.5152176-71.1-179.7-169.3135.70111.2K410 M411 D414 M418K410-K416 CarbonylContact C-O 3.6Å; K410-K416 WeakPolarHBondContact CA-O 3.39Å; M411-K416 PolarHBondContact N-O 2.77Å; D414-K416 VanDerWaalsContact C-N 3.25Å; D414-K416 PolarHBondContact O-N 2.86Å; D414-K416 VanDerWaalsContact OD1-CB 3.31Å; D414-K416 WeakPolarHBondContact OD1-CB 3.21Å; D414-K416 WeakPolarHBondContact OD1-CG 3.17Å; D414-K416 PolarHBondContact OD1-N 3.05Å; D414-K416 WeakPolarHBondContact OD2-CD 3.46Å; D414-K416 WeakPolarHBondContact OD2-CE 3.26Å; D414-K416 IonicContact OD2-NZ 2.99Å; D414-K416 PolarHBondContact OD2-NZ 3.08Å; K416-M418 HydrophobicContact CB-CG 4.43Å
417V96.5Very high95.8Very high91 Ų9158.6 Ų58.655%0.55230%0.301SS*.EExtended strand (participates in β ladder)trans-111115.3177.7178.70000108.2T408 R409 K410T408-V417 HydrophobicContact CG2-CG1 4.23Å; R409-V417 WeakPolarHBondContact O-CA 3.26Å; K410-V417 HydrophobicContact CB-CG2 4.32Å; K410-V417 HydrophobicContact CG-CG2 4.4Å
418M95.1Very high96Very high61 Ų6155.5 Ų55.530%0.328%0.284SS..EExtended strand (participates in β ladder)trans-127.7156.9-173.9-57.9-61.2-75.500110.6T408 R409 M411 K416 D448T408-M418 CarbonylContact C-O 3.43Å; T408-M418 VanDerWaalsContact CA-O 3.23Å; T408-M418 WeakPolarHBondContact CA-O 3.28Å; R409-M418 PolarHBondContact N-O 3.48Å; R409-M418 PolarHBondContact O-N 3.25Å; M411-M418 HydrophobicContact CE-CB 3.76Å; M411-M418 HydrophobicContact CE-CG 4.31Å; K416-M418 HydrophobicContact CB-CG 4.43Å; M418-D448 WeakPolarHBondContact CE-OD2 3.36Å; M418-D448 HydrophobicContact CG-CB 4.36Å
419P95.9Very high96.2Very high47 Ų4751.2 Ų51.231%0.30526%0.258SS..EExtended strand (participates in β ladder)trans-57.1142.9167.6-19.932.1000110.8V422 N450P419-V422 HydrophobicContact CB-CG2 4.24Å; P419-V422 HydrophobicContact CG-CG2 4.47Å; P419-N450 PolarHBondContact O-ND2 2.92Å
420R96.4Very high96.4Very high8 Ų849.2 Ų49.23%0.0325%0.251CS..EExtended strand (participates in β ladder)trans-64.5-41.4-180-179.7172.4-173.9161.96.4112.7L405 D407 E435 L440 I441 N442L405-R420 HydrophobicContact CB-CB 4.1Å; L405-R420 HydrophobicContact CB-CG 4.39Å; L405-R420 HydrophobicContact CD1-CG 4.35Å; L405-R420 PolarHBondContact O-N 2.95Å; D407-R420 VanDerWaalsContact O-CB 3.3Å; D407-R420 WeakPolarHBondContact O-CB 3.32Å; D407-R420 PolarHBondContact O-N 2.75Å; D407-R420 WeakPolarHBondContact OD2-CD 3.5Å; D407-R420 IonicContact OD2-NH1 3.65Å; R420-E435 IonicContact CZ-OE2 2.74Å; R420-E435 IonicContact NH1-OE2 3.72Å; R420-E435 PolarHBondContact NH1-OE2 2.91Å; R420-E435 IonicContact NH2-OE2 2.76Å; R420-E435 PolarHBondContact NH2-OE2 3.46Å; R420-L440 PolarHBondContact NH2-O 2.86Å; R420-I441 PolarHBondContact NE-O 3.23Å; R420-I441 PolarHBondContact NH2-O 2.87Å; R420-N442 HydrophobicContact CG-CB 4.18Å; R420-N442 PolarHBondContact NE-O 3.01Å; R420-N442 VanDerWaalsContact NE-O 3.16Å; R420-N442 WeakPolarHBondContact O-CB 3.5Å; R420-N442 PolarHBondContact O-ND2 2.72Å
421K97.4Very high96.5Very high0 Ų042.7 Ų42.70%022%0.222CC..EExtended strand (participates in β ladder)trans-145.2125.3178.1179.567.117156.90111.1A400 I401 A403 E404 L405 C425 P427 I441 N442 N450A400-K421 WeakPolarHBondContact O-CE 3.23Å; A400-K421 PolarHBondContact O-NZ 2.94Å; I401-K421 PolarHBondContact O-NZ 3Å; A403-K421 WeakPolarHBondContact O-CG 3.06Å; A403-K421 PolarHBondContact O-NZ 3.38Å; E404-K421 WeakPolarHBondContact CA-O 3.49Å; L405-K421 HydrophobicContact CB-CB 3.87Å; L405-K421 HydrophobicContact CD1-CB 4.4Å; L405-K421 HydrophobicContact CG-CB 4.11Å; L405-K421 PolarHBondContact N-O 3.32Å; L405-K421 PolarHBondContact O-N 3.09Å; L405-K421 VanDerWaalsContact O-N 3.16Å; K421-C425 WeakPolarHBondContact CE-O 3.41Å; K421-C425 PolarHBondContact NZ-O 3.13Å; K421-P427 HydrophobicContact CD-CB 4.24Å; K421-I441 HydrophobicContact CD-CD1 4.21Å; K421-I441 HydrophobicContact CG-CD1 3.98Å; K421-N442 WeakPolarHBondContact CD-ND2 3.45Å; K421-N450 WeakPolarHBondContact CA-OD1 3.38Å
422V96.3Very high96.5Very high45 Ų4544 Ų4427%0.27323%0.229SC..  trans-99.7152.9171.4-175.70000109.9P419 C425 N450P419-V422 HydrophobicContact CB-CG2 4.24Å; P419-V422 HydrophobicContact CG-CG2 4.47Å; V422-C425 PolarHBondContact O-SG 3.23Å; V422-N450 HydrophobicContact CG2-CB 4.34Å; V422-N450 PolarHBondContact N-OD1 3.15Å
423K96.4Very high96.4Very high96 Ų9639.5 Ų39.542%0.41721%0.207SC..THydrogen-bonded Turntrans-64.7157.3176.2-69-175.5173.9148.20113.3E404 C425 R552E404-K423 HydrophobicContact CB-CD 4.48Å; E404-K423 HydrophobicContact CB-CG 3.86Å; E404-K423 HydrophobicContact CG-CG 4.35Å; E404-K423 WeakPolarHBondContact OE2-CE 3.33Å; E404-K423 IonicContact OE2-NZ 3.77Å; E404-K423 PolarHBondContact OE2-NZ 3.36Å; K423-C425 PolarHBondContact O-N 2.93Å; K423-R552 PolarHBondContact O-NH1 2.94Å
424N96.8Very high96.5Very high73 Ų7337.8 Ų37.839%0.3921%0.206SC..THydrogen-bonded Turntrans60.630.1172.8-55.3-20.4000113.6I401 A548 R552I401-N424 PolarHBondContact O-N 3.35Å; N424-A548 HydrophobicContact CB-CB 4.47Å; N424-R552 WeakPolarHBondContact O-CD 3.45Å
425C96.8Very high96.6Very high2 Ų235.7 Ų35.71%0.01419%0.194CC..SBendtrans-131.8148164.161.70000109.2I401 K421 V422 K423 N450 N456I401-C425 WeakPolarHBondContact CA-O 3.44Å; K421-C425 WeakPolarHBondContact CE-O 3.41Å; K421-C425 PolarHBondContact NZ-O 3.13Å; V422-C425 PolarHBondContact O-SG 3.23Å; K423-C425 PolarHBondContact O-N 2.93Å; C425-N450 WeakPolarHBondContact CB-O 3.5Å; C425-N456 WeakPolarHBondContact CA-OD1 3.4Å
426V98.6Very high96.5Very high1 Ų134.2 Ų34.21%0.00618%0.179CC..  trans-70.6128.7173.6177.10000108Y372 F397 I401 L455 N456 F459 I549Y372-V426 HydrophobicContact CD1-CG1 3.61Å; Y372-V426 HydrophobicContact CE1-CG1 3.99Å; Y372-V426 HydrophobicContact CG-CG1 4.12Å; F397-V426 HydrophobicContact CD1-CG1 4.02Å; F397-V426 HydrophobicContact CE1-CG1 4.45Å; I401-V426 HydrophobicContact CD1-CG2 3.86Å; I401-V426 HydrophobicContact CG1-CB 4.45Å; I401-V426 HydrophobicContact CG1-CG2 3.89Å; V426-L455 HydrophobicContact CB-CB 4.08Å; V426-L455 HydrophobicContact CG1-CB 4.31Å; V426-N456 WeakPolarHBondContact CG2-OD1 3.38Å; V426-N456 PolarHBondContact N-OD1 3.01Å; V426-F459 HydrophobicContact CG1-CB 4.42Å; V426-F459 HydrophobicContact CG2-CB 3.51Å; V426-F459 HydrophobicContact CG2-CD2 4.25Å; V426-F459 HydrophobicContact CG2-CG 3.89Å; V426-I549 HydrophobicContact CG2-CD1 3.77Å; V426-I549 HydrophobicContact CG2-CG2 4.35Å
427P98.4Very high96.5Very high0 Ų028.5 Ų28.50%015%0.154CC..  trans-65.2150.1171.430.9-36.4000110.5F397 A400 K421 L430 I441 N442F397-P427 HydrophobicContact CD1-CG 3.76Å; F397-P427 HydrophobicContact CE1-CG 3.76Å; F397-P427 WeakPolarHBondContact CE1-O 3.45Å; A400-P427 HydrophobicContact CB-CG 3.69Å; K421-P427 HydrophobicContact CD-CB 4.24Å; P427-L430 HydrophobicContact CG-CD2 4.41Å; P427-I441 HydrophobicContact CB-CB 4.46Å; P427-I441 HydrophobicContact CB-CD1 4.14Å; P427-I441 HydrophobicContact CG-CD1 4.33Å; P427-N442 WeakPolarHBondContact CA-OD1 3.23Å; P427-N442 WeakPolarHBondContact CB-OD1 3.27Å
428H98.6Very high96.4Very high5 Ų525.1 Ų25.12%0.02313%0.132CC..SBendtrans-62.2-46.1171.8173.4-95.1000111T371 Y372 D373 N442 Y444 V449 W452 L455T371-H428 CarbonylContact C-O 3.52Å; T371-H428 WeakPolarHBondContact CA-O 3.11Å; T371-H428 WeakPolarHBondContact CG2-CE1 3.44Å; T371-H428 WeakPolarHBondContact CG2-NE2 3.12Å; Y372-H428 PolarHBondContact N-O 3.34Å; D373-H428 IonicContact OD1-CD2 3.66Å; D373-H428 PolarHBondContact OD1-CD2 3.28Å; D373-H428 VanDerWaalsContact OD1-CD2 3.25Å; D373-H428 IonicContact OD1-NE2 2.63Å; D373-H428 PolarHBondContact OD1-NE2 2.82Å; H428-N442 PolarHBondContact N-OD1 3Å; H428-Y444 AromaticContact CE1-CD2 3.63Å; H428-Y444 AromaticContact CE1-CG 3.63Å; H428-Y444 VanDerWaalsContact ND1-CB 3.28Å; H428-Y444 WeakPolarHBondContact ND1-CB 3.32Å; H428-Y444 AromaticContact ND1-CG 3.77Å; H428-V449 HydrophobicContact CB-CB 3.83Å; H428-V449 HydrophobicContact CB-CG1 3.78Å; H428-V449 HydrophobicContact CB-CG2 3.75Å; H428-W452 AromaticContact CD2-CH2 3.92Å; H428-W452 AromaticContact CD2-CZ3 3.63Å; H428-L455 HydrophobicContact CB-CD1 4.22Å
429D98.8Very high96.3Very high0 Ų024.2 Ų24.20%013%0.13CC..  trans-144.8162.6-175.961.678.2000111.5M368 G431 I441 N442 C443 Y444M368-D429 HydrophobicContact CB-CB 3.79Å; M368-D429 HydrophobicContact CG-CB 4.2Å; D429-G431 VanDerWaalsContact C-N 3.27Å; D429-G431 PolarHBondContact O-N 3.49Å; D429-G431 VanDerWaalsContact OD1-CA 3.28Å; D429-G431 WeakPolarHBondContact OD1-CA 3.42Å; D429-G431 PolarHBondContact OD1-N 3.33Å; D429-I441 WeakPolarHBondContact O-CB 3.39Å; D429-N442 PolarHBondContact O-N 3.06Å; D429-N442 PolarHBondContact OD1-N 2.94Å; D429-C443 PolarHBondContact OD1-N 2.86Å; D429-C443 PolarHBondContact OD1-SG 3.39Å; D429-C443 PolarHBondContact OD2-N 2.61Å; D429-Y444 WeakPolarHBondContact OD2-CB 3.45Å; D429-Y444 PolarHBondContact OD2-N 2.81Å; D429-Y444 VanDerWaalsContact OD2-N 3.09Å
430L98.2Very high96.3Very high2 Ų223.3 Ų23.31%0.0112%0.122CC..SBendtrans-91.423.6174.6-59.5-178.5000112.4Y369 N370 D396 F397 A400 P427 P437 F438 I441Y369-L430 PolarHBondContact O-N 2.82Å; N370-L430 HydrophobicContact CB-CD1 4.2Å; N370-L430 HydrophobicContact CB-CG 4.38Å; D396-L430 HydrophobicContact CB-CD1 3.94Å; F397-L430 HydrophobicContact CD1-CD2 4.33Å; F397-L430 HydrophobicContact CD2-CD1 4.02Å; F397-L430 HydrophobicContact CD2-CD2 4.31Å; F397-L430 HydrophobicContact CD2-CG 4.32Å; F397-L430 HydrophobicContact CE1-CD2 4.02Å; F397-L430 HydrophobicContact CE1-CG 4.25Å; F397-L430 HydrophobicContact CE2-CD1 3.53Å; F397-L430 HydrophobicContact CE2-CD2 4.01Å; F397-L430 HydrophobicContact CE2-CG 3.62Å; F397-L430 HydrophobicContact CG-CD2 4.45Å; F397-L430 HydrophobicContact CZ-CD1 4.04Å; F397-L430 HydrophobicContact CZ-CD2 3.83Å; F397-L430 HydrophobicContact CZ-CG 3.56Å; A400-L430 HydrophobicContact CB-CD2 4.23Å; P427-L430 HydrophobicContact CG-CD2 4.41Å; L430-P437 CarbonylContact O-C 3.56Å; L430-P437 WeakPolarHBondContact O-CA 3.33Å; L430-F438 HydrophobicContact CB-CD1 4.07Å; L430-F438 HydrophobicContact CB-CE1 4.42Å; L430-F438 HydrophobicContact CD1-CD1 3.76Å; L430-F438 HydrophobicContact CD1-CE1 3.74Å; L430-F438 HydrophobicContact CG-CD1 4.46Å; L430-F438 PolarHBondContact O-N 2.89Å; L430-I441 HydrophobicContact CD2-CG2 4.03Å
431G96.9Very high96.3Very high0 Ų023.1 Ų23.10%012%0.121CC..  trans102.9-177.4169.300000115.6Y369 D429 L440Y369-G431 PolarHBondContact N-O 3.25Å; D429-G431 VanDerWaalsContact C-N 3.27Å; D429-G431 PolarHBondContact O-N 3.49Å; D429-G431 VanDerWaalsContact OD1-CA 3.28Å; D429-G431 WeakPolarHBondContact OD1-CA 3.42Å; D429-G431 PolarHBondContact OD1-N 3.33Å; G431-L440 WeakPolarHBondContact CA-O 3.29Å
432D95.9Very high96.3Very high36 Ų3623.2 Ų23.219%0.19312%0.122CC..  trans-110.9136.3-171.3-169.9-46000110.6D434 E435 P437 C443D432-D434 PolarHBondContact O-N 3.4Å; D432-D434 WeakPolarHBondContact OD1-CB 3.36Å; D432-D434 PolarHBondContact OD1-N 2.96Å; D432-E435 HydrophobicContact CB-CB 4.28Å; D432-E435 HydrophobicContact CB-CG 4.18Å; D432-E435 PolarHBondContact O-N 2.76Å; D432-P437 VanDerWaalsContact O-CD 3.31Å; D432-P437 WeakPolarHBondContact O-CD 3.35Å; D432-P437 WeakPolarHBondContact O-CG 3.28Å; D432-C443 HydrophobicContact CB-CB 3.7Å
433P94.8Very high96.3Very high25 Ų2521.5 Ų21.516%0.16211%0.112CC..THydrogen-bonded Turntrans-57.7-23.1173.224.3-33.9000114.7P261 L361 R367 Y369 E435P261-P433 WeakPolarHBondContact CD-O 3.29Å; L361-P433 HydrophobicContact CD2-CG 4.25Å; R367-P433 HydrophobicContact CB-CG 4.04Å; R367-P433 WeakPolarHBondContact O-CD 3.32Å; Y369-P433 HydrophobicContact CE2-CB 3.83Å; Y369-P433 HydrophobicContact CE2-CG 4.23Å; P433-E435 VanDerWaalsContact C-N 3.3Å
434D94.8Very high96.3Very high82 Ų8217.9 Ų17.944%0.43910%0.096SC..THydrogen-bonded Turntrans-83.9-3.8174.8-71.5-25.8000113R367 D432R367-D434 IonicContact CZ-OD2 3.25Å; R367-D434 IonicContact NH1-OD1 3.64Å; R367-D434 IonicContact NH1-OD2 2.76Å; R367-D434 PolarHBondContact NH1-OD2 3.02Å; R367-D434 IonicContact NH2-OD2 3.2Å; R367-D434 PolarHBondContact NH2-OD2 3.38Å; D432-D434 PolarHBondContact O-N 3.4Å; D432-D434 WeakPolarHBondContact OD1-CB 3.36Å; D432-D434 PolarHBondContact OD1-N 2.96Å
435E94.9Very high96.2Very high25 Ų2517 Ų1712%0.1179%0.091CC..SBendtrans-111-112.8174.5-64.4-161.6137.800112.7F260 R262 R409 R420 D432 P433 L440F260-E435 WeakPolarHBondContact CB-O 3.3Å; R262-E435 WeakPolarHBondContact CB-O 3.43Å; R262-E435 VanDerWaalsContact CG-C 3.48Å; R262-E435 HydrophobicContact CG-CB 4.31Å; R262-E435 VanDerWaalsContact CG-O 3.27Å; R262-E435 WeakPolarHBondContact CG-O 3.33Å; R262-E435 PolarHBondContact N-O 3.09Å; R262-E435 IonicContact NH2-OE1 2.73Å; R409-E435 IonicContact CZ-OE1 3.39Å; R409-E435 VanDerWaalsContact NH2-CD 3.29Å; R409-E435 IonicContact NH2-OE1 3.96Å; R409-E435 PolarHBondContact NH2-OE1 3.3Å; R409-E435 IonicContact NH2-OE2 3.29Å; R409-E435 PolarHBondContact NH2-OE2 2.95Å; R420-E435 IonicContact CZ-OE2 2.74Å; R420-E435 IonicContact NH1-OE2 3.72Å; R420-E435 PolarHBondContact NH1-OE2 2.91Å; R420-E435 IonicContact NH2-OE2 2.76Å; R420-E435 PolarHBondContact NH2-OE2 3.46Å; D432-E435 HydrophobicContact CB-CB 4.28Å; D432-E435 HydrophobicContact CB-CG 4.18Å; D432-E435 PolarHBondContact O-N 2.76Å; P433-E435 VanDerWaalsContact C-N 3.3Å; E435-L440 HydrophobicContact CB-CD1 4.19Å
436E94.6Very high96.2Very high0 Ų020 Ų200%011%0.106CC..  trans-150.483.4178.8-167.373.3-113.800108F260 R262 M264 H267 T439 L440F260-E436 VanDerWaalsContact CD2-OE1 3.26Å; F260-E436 WeakPolarHBondContact CD2-OE1 3.32Å; R262-E436 HydrophobicContact CB-CB 4.11Å; R262-E436 HydrophobicContact CG-CB 4.4Å; M264-E436 WeakPolarHBondContact CA-OE2 3.38Å; M264-E436 HydrophobicContact CB-CG 3.88Å; M264-E436 WeakPolarHBondContact CB-OE2 3.38Å; M264-E436 HydrophobicContact CG-CB 4.32Å; M264-E436 HydrophobicContact CG-CG 3.99Å; M264-E436 WeakPolarHBondContact CG-OE2 3.21Å; M264-E436 PolarHBondContact N-OE2 3.06Å; M264-E436 HydrophobicContact SD-CB 3.74Å; M264-E436 HydrophobicContact SD-CG 3.75Å; H267-E436 IonicContact NE2-OE1 2.81Å; E436-T439 PolarHBondContact O-N 3.09Å; E436-L440 HydrophobicContact CB-CB 4.44Å; E436-L440 HydrophobicContact CB-CD1 3.99Å; E436-L440 HydrophobicContact CB-CG 4.1Å; E436-L440 PolarHBondContact O-N 3.36Å
437P94.8Very high96Very high0 Ų020.5 Ų20.50%011%0.109CC..THydrogen-bonded Turntrans-49.7148.2179.3-28.836.5000112.3F260 I334 Y369 L430 D432 T439F260-P437 HydrophobicContact CD1-CG 4Å; F260-P437 HydrophobicContact CD2-CG 4.4Å; F260-P437 HydrophobicContact CE1-CG 3.71Å; F260-P437 HydrophobicContact CE2-CB 4.44Å; F260-P437 HydrophobicContact CE2-CG 4.11Å; F260-P437 HydrophobicContact CG-CG 4.33Å; F260-P437 HydrophobicContact CZ-CB 4.29Å; F260-P437 HydrophobicContact CZ-CG 3.75Å; I334-P437 HydrophobicContact CD1-CB 4.37Å; Y369-P437 HydrophobicContact CD2-CB 3.71Å; Y369-P437 HydrophobicContact CD2-CG 3.56Å; Y369-P437 HydrophobicContact CE2-CB 4.06Å; Y369-P437 HydrophobicContact CE2-CG 3.49Å; Y369-P437 VanDerWaalsContact CE2-CG 3.49Å; L430-P437 CarbonylContact O-C 3.56Å; L430-P437 WeakPolarHBondContact O-CA 3.33Å; D432-P437 VanDerWaalsContact O-CD 3.31Å; D432-P437 WeakPolarHBondContact O-CD 3.35Å; D432-P437 WeakPolarHBondContact O-CG 3.28Å; P437-T439 PolarHBondContact O-N 3.1Å
438F94.1Very high95.9Very high20 Ų2022.4 Ų22.49%0.08812%0.119CC..THydrogen-bonded Turntrans63.5-16.1-175.2-49.3-79.9000117.2I334 L336 R357 L430I334-F438 HydrophobicContact CD1-CE2 3.54Å; I334-F438 HydrophobicContact CD1-CZ 4.01Å; I334-F438 HydrophobicContact CG1-CE2 4.38Å; I334-F438 HydrophobicContact CG1-CZ 4.47Å; L336-F438 HydrophobicContact CD1-CD2 4.41Å; L336-F438 HydrophobicContact CD1-CE2 3.83Å; R357-F438 HydrophobicContact CB-CE1 4.44Å; R357-F438 HydrophobicContact CB-CZ 4.15Å; R357-F438 VanDerWaalsContact NH2-CB 3.28Å; L430-F438 HydrophobicContact CB-CD1 4.07Å; L430-F438 HydrophobicContact CB-CE1 4.42Å; L430-F438 HydrophobicContact CD1-CD1 3.76Å; L430-F438 HydrophobicContact CD1-CE1 3.74Å; L430-F438 HydrophobicContact CG-CD1 4.46Å; L430-F438 PolarHBondContact O-N 2.89Å
439T93.3Very high95.7Very high42 Ų4222.4 Ų22.426%0.25812%0.119SC..THydrogen-bonded Turntrans-97.7-48.6173.6-54.30000109.6M264 Q265 E436 P437M264-T439 HydrophobicContact CE-CG2 3.63Å; M264-T439 HydrophobicContact SD-CG2 4.19Å; Q265-T439 PolarHBondContact NE2-OG1 3.49Å; Q265-T439 VanDerWaalsContact NE2-OG1 3.12Å; E436-T439 PolarHBondContact O-N 3.09Å; P437-T439 PolarHBondContact O-N 3.1Å
440L95.7Very high95.6Very high27 Ų2722.7 Ų22.714%0.14112%0.121CC..SBendtrans-10272.2177.2-64.7-178.6000109.3R262 M264 R420 G431 E435 E436R262-L440 HydrophobicContact CG-CD1 4.26Å; M264-L440 HydrophobicContact SD-CD1 4.06Å; M264-L440 HydrophobicContact SD-CG 4.2Å; R420-L440 PolarHBondContact NH2-O 2.86Å; G431-L440 WeakPolarHBondContact CA-O 3.29Å; E435-L440 HydrophobicContact CB-CD1 4.19Å; E436-L440 HydrophobicContact CB-CB 4.44Å; E436-L440 HydrophobicContact CB-CD1 3.99Å; E436-L440 HydrophobicContact CB-CG 4.1Å; E436-L440 PolarHBondContact O-N 3.36Å
441I96.9Very high95.3Very high4 Ų425.6 Ų25.62%0.02114%0.136CC..  trans-72.4167176.863.5178.5000111.9A400 A403 L405 R420 K421 P427 D429 L430A400-I441 HydrophobicContact CB-CD1 3.75Å; A403-I441 HydrophobicContact CB-CD1 4.23Å; L405-I441 HydrophobicContact CD1-CG1 3.77Å; R420-I441 PolarHBondContact NE-O 3.23Å; R420-I441 PolarHBondContact NH2-O 2.87Å; K421-I441 HydrophobicContact CD-CD1 4.21Å; K421-I441 HydrophobicContact CG-CD1 3.98Å; P427-I441 HydrophobicContact CB-CB 4.46Å; P427-I441 HydrophobicContact CB-CD1 4.14Å; P427-I441 HydrophobicContact CG-CD1 4.33Å; D429-I441 WeakPolarHBondContact O-CB 3.39Å; L430-I441 HydrophobicContact CD2-CG2 4.03Å
442N97.3Very high95.4Very high2 Ų225.8 Ų25.81%0.01114%0.137CC..  trans53.462.1-173.1-73.8-7.4000111.9R420 K421 P427 H428 D429 V449R420-N442 HydrophobicContact CG-CB 4.18Å; R420-N442 PolarHBondContact NE-O 3.01Å; R420-N442 VanDerWaalsContact NE-O 3.16Å; R420-N442 WeakPolarHBondContact O-CB 3.5Å; R420-N442 PolarHBondContact O-ND2 2.72Å; K421-N442 WeakPolarHBondContact CD-ND2 3.45Å; P427-N442 WeakPolarHBondContact CA-OD1 3.23Å; P427-N442 WeakPolarHBondContact CB-OD1 3.27Å; H428-N442 PolarHBondContact N-OD1 3Å; D429-N442 PolarHBondContact O-N 3.06Å; D429-N442 PolarHBondContact OD1-N 2.94Å; N442-V449 HydrophobicContact CB-CG2 4.48Å
443C96Very high95.5Very high9 Ų924.2 Ų24.26%0.06113%0.128CC..  trans-78-26.5171.569.50000112.2M368 R409 D429 D432 N445M368-C443 WeakPolarHBondContact CG-SG 3.42Å; R409-C443 PolarHBondContact NH1-O 2.83Å; D429-C443 PolarHBondContact OD1-N 2.86Å; D429-C443 PolarHBondContact OD1-SG 3.39Å; D429-C443 PolarHBondContact OD2-N 2.61Å; D432-C443 HydrophobicContact CB-CB 3.7Å; C443-N445 PolarHBondContact O-N 3.07Å
444Y96.3Very high95.6Very high20 Ų2023 Ų238%0.07812%0.121CC..  trans-52.8130.5170.9-179.4-92.2000111.5M368 H428 D429 I446 H447 V449 W452 D575M368-Y444 HydrophobicContact SD-CD2 3.81Å; M368-Y444 HydrophobicContact SD-CG 4.32Å; H428-Y444 AromaticContact CE1-CD2 3.63Å; H428-Y444 AromaticContact CE1-CG 3.63Å; H428-Y444 VanDerWaalsContact ND1-CB 3.28Å; H428-Y444 WeakPolarHBondContact ND1-CB 3.32Å; H428-Y444 AromaticContact ND1-CG 3.77Å; D429-Y444 WeakPolarHBondContact OD2-CB 3.45Å; D429-Y444 PolarHBondContact OD2-N 2.81Å; D429-Y444 VanDerWaalsContact OD2-N 3.09Å; Y444-I446 HydrophobicContact CE1-CB 4.06Å; Y444-I446 HydrophobicContact CE2-CB 4.06Å; Y444-I446 HydrophobicContact CE2-CD1 3.94Å; Y444-I446 HydrophobicContact CE2-CG1 4.07Å; Y444-H447 HydrophobicContact CE1-CB 4.03Å; Y444-H447 PolarHBondContact OH-CD2 3.39Å; Y444-H447 VanDerWaalsContact OH-CD2 3.24Å; Y444-V449 HydrophobicContact CD1-CG1 3.45Å; Y444-V449 VanDerWaalsContact CD1-CG1 3.45Å; Y444-V449 HydrophobicContact CE1-CG1 3.7Å; Y444-V449 HydrophobicContact CG-CG1 4.48Å; Y444-W452 HydrophobicContact CE1-CH2 4.31Å; Y444-W452 AromaticContact CE1-CZ2 3.97Å; Y444-W452 HydrophobicContact CE1-CZ2 3.97Å; Y444-D575 WeakPolarHBondContact OH-CB 3.37Å; Y444-D575 PolarHBondContact OH-OD2 2.88Å
445N94.6Very high95.8Very high55 Ų5519.2 Ų19.229%0.29410%0.1SC..  trans-138.216-172.571.7-22.9000113.9M411 L412 C443M411-N445 CarbonylContact C-O 3.6Å; M411-N445 WeakPolarHBondContact CA-O 3.44Å; L412-N445 PolarHBondContact N-O 2.59Å; C443-N445 PolarHBondContact O-N 3.07Å
446I95.9Very high96Very high64 Ų6418.2 Ų18.233%0.32810%0.096SC..SBendtrans-72.7-52.4174.1-58.1176.2000109.5L412 Y413 Y444L412-I446 HydrophobicContact CD1-CG1 4.22Å; L412-I446 PolarHBondContact N-O 2.94Å; Y413-I446 WeakPolarHBondContact CB-O 3.42Å; Y413-I446 PolarHBondContact N-O 3.49Å; Y444-I446 HydrophobicContact CE1-CB 4.06Å; Y444-I446 HydrophobicContact CE2-CB 4.06Å; Y444-I446 HydrophobicContact CE2-CD1 3.94Å; Y444-I446 HydrophobicContact CE2-CG1 4.07Å
447H96Very high96.2Very high13 Ų1318.2 Ų18.26%0.0610%0.096CC..SBendtrans-115.9161.1176.8-62.8-77.7000112.2Y413 Y444 V449 W452 D575Y413-H447 VanDerWaalsContact CB-CE1 3.48Å; Y413-H447 WeakPolarHBondContact CB-CE1 3.26Å; Y413-H447 AromaticContact CD1-CE1 3.65Å; Y413-H447 AromaticContact CD1-ND1 3.88Å; Y413-H447 AromaticContact CD2-CE1 3.19Å; Y413-H447 WeakPolarHBondContact CD2-CE1 3.48Å; Y413-H447 AromaticContact CD2-NE2 3.79Å; Y413-H447 AromaticContact CE2-CE1 3.71Å; Y413-H447 AromaticContact CG-CE1 3.14Å; Y413-H447 AromaticContact CG-ND1 3.62Å; Y444-H447 HydrophobicContact CE1-CB 4.03Å; Y444-H447 PolarHBondContact OH-CD2 3.39Å; Y444-H447 VanDerWaalsContact OH-CD2 3.24Å; H447-V449 PolarHBondContact O-N 3.11Å; H447-W452 HydrophobicContact CB-CZ2 4.2Å; H447-D575 PolarHBondContact CD2-O 3.45Å; H447-D575 PolarHBondContact NE2-O 2.75Å
448D95.1Very high96.4Very high40 Ų4018.2 Ų18.221%0.21410%0.096CC..  trans-77.2107.7165.6-1765.7000109.8M411 M418 N450M411-D448 HydrophobicContact CE-CB 4.32Å; M411-D448 HydrophobicContact CG-CB 4.33Å; M418-D448 WeakPolarHBondContact CE-OD2 3.36Å; M418-D448 HydrophobicContact CG-CB 4.36Å; D448-N450 VanDerWaalsContact C-N 3.35Å; D448-N450 WeakPolarHBondContact OD1-CB 3.35Å; D448-N450 PolarHBondContact OD1-N 3.13Å; D448-N450 VanDerWaalsContact OD1-N 3.09Å; D448-N450 PolarHBondContact OD1-ND2 3.12Å
449V95.6Very high96.6Very high5 Ų517.2 Ų17.23%0.039%0.091CC..G310 helixtrans-83.8-9-176.4-620000113.5H428 N442 Y444 H447 D451 W452 L455H428-V449 HydrophobicContact CB-CB 3.83Å; H428-V449 HydrophobicContact CB-CG1 3.78Å; H428-V449 HydrophobicContact CB-CG2 3.75Å; N442-V449 HydrophobicContact CB-CG2 4.48Å; Y444-V449 HydrophobicContact CD1-CG1 3.45Å; Y444-V449 VanDerWaalsContact CD1-CG1 3.45Å; Y444-V449 HydrophobicContact CE1-CG1 3.7Å; Y444-V449 HydrophobicContact CG-CG1 4.48Å; H447-V449 PolarHBondContact O-N 3.11Å; V449-D451 PolarHBondContact O-N 2.85Å; V449-D451 VanDerWaalsContact O-N 3.13Å; V449-W452 HydrophobicContact CB-CD2 4.37Å; V449-W452 HydrophobicContact CB-CG 4.39Å; V449-W452 HydrophobicContact CG1-CD2 4.1Å; V449-W452 HydrophobicContact CG1-CH2 4.38Å; V449-W452 HydrophobicContact CG1-CZ2 3.94Å; V449-W452 PolarHBondContact O-N 3.14Å; V449-L455 HydrophobicContact CB-CD1 4.29Å
450N95.3Very high96.9Very high5 Ų515.2 Ų15.23%0.0278%0.079CC..G310 helixtrans-65-20.5-175.5-68.1-75000113.3P419 K421 V422 C425 D448 R552P419-N450 PolarHBondContact O-ND2 2.92Å; K421-N450 WeakPolarHBondContact CA-OD1 3.38Å; V422-N450 HydrophobicContact CG2-CB 4.34Å; V422-N450 PolarHBondContact N-OD1 3.15Å; C425-N450 WeakPolarHBondContact CB-O 3.5Å; D448-N450 VanDerWaalsContact C-N 3.35Å; D448-N450 WeakPolarHBondContact OD1-CB 3.35Å; D448-N450 PolarHBondContact OD1-N 3.13Å; D448-N450 VanDerWaalsContact OD1-N 3.09Å; D448-N450 PolarHBondContact OD1-ND2 3.12Å; N450-R552 PolarHBondContact O-NH2 3.46Å
451D93.1Very high97.1Very high63 Ų6314 Ų1434%0.3377%0.072SC..G310 helixtrans-121.820.4-179.5-70.1-42.4000113.4V449 K453 R552 Y556V449-D451 PolarHBondContact O-N 2.85Å; V449-D451 VanDerWaalsContact O-N 3.13Å; D451-K453 PolarHBondContact O-NZ 2.88Å; D451-R552 IonicContact OD1-CZ 3.79Å; D451-R552 IonicContact OD1-NE 3.82Å; D451-R552 IonicContact OD1-NH2 3.1Å; D451-R552 PolarHBondContact OD1-NH2 2.84Å; D451-Y556 WeakPolarHBondContact CA-OH 3.48Å; D451-Y556 HydrophobicContact CB-CE1 4.47Å; D451-Y556 PolarHBondContact OD1-OH 3Å
452W97.6Very high97.1Very high5 Ų513.8 Ų13.82%0.0197%0.071CC..  trans-62.8140.1171.6-82.621.5000111.4H428 Y444 H447 V449 L455 D571 D575H428-W452 AromaticContact CD2-CH2 3.92Å; H428-W452 AromaticContact CD2-CZ3 3.63Å; Y444-W452 HydrophobicContact CE1-CH2 4.31Å; Y444-W452 AromaticContact CE1-CZ2 3.97Å; Y444-W452 HydrophobicContact CE1-CZ2 3.97Å; H447-W452 HydrophobicContact CB-CZ2 4.2Å; V449-W452 HydrophobicContact CB-CD2 4.37Å; V449-W452 HydrophobicContact CB-CG 4.39Å; V449-W452 HydrophobicContact CG1-CD2 4.1Å; V449-W452 HydrophobicContact CG1-CH2 4.38Å; V449-W452 HydrophobicContact CG1-CZ2 3.94Å; V449-W452 PolarHBondContact O-N 3.14Å; W452-L455 HydrophobicContact CB-CD1 3.96Å; W452-L455 HydrophobicContact CB-CG 4.21Å; W452-L455 HydrophobicContact CD2-CD1 4.45Å; W452-L455 HydrophobicContact CE3-CD1 4.09Å; W452-L455 HydrophobicContact CE3-CG 4.16Å; W452-L455 HydrophobicContact CG-CD1 4.44Å; W452-D571 CarbonylContact C-O 3.48Å; W452-D571 WeakPolarHBondContact CA-O 3.42Å; W452-D571 WeakPolarHBondContact CB-O 3.31Å; W452-D571 VanDerWaalsContact CD1-CA 3.47Å; W452-D575 HydrophobicContact CH2-CB 3.93Å; W452-D575 HydrophobicContact CZ2-CB 4.03Å
453K98.3Very high97.2Very high3 Ų313.7 Ų13.71%0.0137%0.071CC..THydrogen-bonded Turntrans-84.2-16-170.8-56.8-55.7177.4-580113.6D451 Y556 I564 E565 D571 C586D451-K453 PolarHBondContact O-NZ 2.88Å; K453-Y556 HydrophobicContact CD-CD2 3.5Å; K453-Y556 VanDerWaalsContact CD-CD2 3.5Å; K453-Y556 HydrophobicContact CD-CE2 3.94Å; K453-Y556 HydrophobicContact CD-CG 3.86Å; K453-I564 HydrophobicContact CB-CD1 4.09Å; K453-E565 WeakPolarHBondContact CE-O 2.99Å; K453-D571 PolarHBondContact N-O 3.38Å; K453-D571 IonicContact NZ-OD2 3Å; K453-D571 PolarHBondContact NZ-OD2 2.76Å; K453-C586 HydrophobicContact CB-CB 4.17Å
454D98.6Very high97.4Very high0 Ų014.2 Ų14.20%07%0.072CC..THydrogen-bonded Turntrans-102.5-29.7-177.569.5-22.8000114N456 T457 K458 Q572 T573 Y585 L589D454-N456 PolarHBondContact O-N 3.19Å; D454-T457 PolarHBondContact O-N 2.82Å; D454-T457 PolarHBondContact O-OG1 2.93Å; D454-K458 HydrophobicContact CB-CD 4.19Å; D454-K458 VanDerWaalsContact O-CB 3.23Å; D454-K458 WeakPolarHBondContact O-CB 3.28Å; D454-K458 WeakPolarHBondContact O-CG 3.29Å; D454-K458 PolarHBondContact O-N 2.96Å; D454-K458 WeakPolarHBondContact OD2-CE 3.44Å; D454-K458 IonicContact OD2-NZ 2.79Å; D454-K458 PolarHBondContact OD2-NZ 3.09Å; D454-Q572 HydrophobicContact CB-CB 4.15Å; D454-Q572 WeakPolarHBondContact OD1-CA 3.46Å; D454-T573 WeakPolarHBondContact OD2-CB 3.3Å; D454-T573 PolarHBondContact OD2-N 2.97Å; D454-T573 VanDerWaalsContact OD2-N 3.07Å; D454-Y585 HydrophobicContact CB-CE1 4.03Å; D454-Y585 PolarHBondContact OD2-OH 3.32Å; D454-L589 HydrophobicContact CB-CD1 3.89Å
455L98.7Very high97.5Very high1 Ų113.4 Ų13.41%0.0057%0.069CC..Hα-helixtrans-57.8-49.3-176.4-73.5173.3000113.4D373 V426 H428 V449 W452 T457 K458 F459D373-L455 HydrophobicContact CB-CD2 3.76Å; V426-L455 HydrophobicContact CB-CB 4.08Å; V426-L455 HydrophobicContact CG1-CB 4.31Å; H428-L455 HydrophobicContact CB-CD1 4.22Å; V449-L455 HydrophobicContact CB-CD1 4.29Å; W452-L455 HydrophobicContact CB-CD1 3.96Å; W452-L455 HydrophobicContact CB-CG 4.21Å; W452-L455 HydrophobicContact CD2-CD1 4.45Å; W452-L455 HydrophobicContact CE3-CD1 4.09Å; W452-L455 HydrophobicContact CE3-CG 4.16Å; W452-L455 HydrophobicContact CG-CD1 4.44Å; L455-T457 PolarHBondContact O-N 2.9Å; L455-K458 PolarHBondContact O-N 3.36Å; L455-F459 PolarHBondContact O-N 3.5Å; L455-F459 VanDerWaalsContact O-N 3.09Å
456N98.7Very high97.6Very high4 Ų411 Ų112%0.0216%0.056CC..Hα-helixtrans-64.4-43.2-178.6-71.9-12.6000112C425 V426 D454 F459 V460 I549 T553C425-N456 WeakPolarHBondContact CA-OD1 3.4Å; V426-N456 WeakPolarHBondContact CG2-OD1 3.38Å; V426-N456 PolarHBondContact N-OD1 3.01Å; D454-N456 PolarHBondContact O-N 3.19Å; N456-F459 PolarHBondContact O-N 3.03Å; N456-V460 PolarHBondContact O-N 3.32Å; N456-I549 HydrophobicContact CB-CB 4.13Å; N456-I549 HydrophobicContact CB-CD1 4.19Å; N456-I549 HydrophobicContact CB-CG1 4.32Å; N456-I549 WeakPolarHBondContact O-CD1 3.49Å; N456-T553 VanDerWaalsContact CB-OG1 3.31Å; N456-T553 WeakPolarHBondContact CB-OG1 3.31Å; N456-T553 PolarHBondContact ND2-OG1 3.5Å
457T98.7Very high97.7Very high0 Ų09.2 Ų9.20%05%0.045CC..Hα-helixtrans-69.3-40.5-178.954.20000111.1D454 L455 F459 V460 L461 T553 W590 A593D454-T457 PolarHBondContact O-N 2.82Å; D454-T457 PolarHBondContact O-OG1 2.93Å; L455-T457 PolarHBondContact O-N 2.9Å; T457-F459 VanDerWaalsContact C-N 3.29Å; T457-F459 PolarHBondContact O-N 2.83Å; T457-V460 PolarHBondContact O-N 3.17Å; T457-L461 WeakPolarHBondContact O-CB 3.31Å; T457-L461 VanDerWaalsContact O-CG 3.25Å; T457-L461 WeakPolarHBondContact O-CG 3.38Å; T457-L461 PolarHBondContact O-N 2.82Å; T457-T553 HydrophobicContact CG2-CG2 4.31Å; T457-W590 HydrophobicContact CG2-CB 4.29Å; T457-W590 HydrophobicContact CG2-CE3 3.87Å; T457-A593 HydrophobicContact CG2-CB 4.02Å
458K98.9Very high97.6Very high0 Ų011.4 Ų11.40%05%0.053CC..Hα-helixtrans-59.8-35.5172.9-73.5176.4169.8175.10113D373 F376 D454 L455 Q462 Y585 L589D373-K458 HydrophobicContact CB-CD 4.14Å; D373-K458 PolarHBondContact O-NZ 2.83Å; F376-K458 HydrophobicContact CB-CB 4.42Å; F376-K458 HydrophobicContact CB-CD 3.81Å; F376-K458 HydrophobicContact CB-CG 4.19Å; F376-K458 HydrophobicContact CD1-CD 4.16Å; F376-K458 HydrophobicContact CD1-CG 4.17Å; F376-K458 HydrophobicContact CD2-CB 3.57Å; F376-K458 HydrophobicContact CD2-CD 4.06Å; F376-K458 HydrophobicContact CD2-CG 3.46Å; F376-K458 VanDerWaalsContact CD2-CG 3.46Å; F376-K458 HydrophobicContact CE1-CG 4.37Å; F376-K458 HydrophobicContact CE2-CB 3.98Å; F376-K458 HydrophobicContact CE2-CG 3.7Å; F376-K458 HydrophobicContact CG-CB 4.14Å; F376-K458 HydrophobicContact CG-CD 3.76Å; F376-K458 HydrophobicContact CG-CG 3.69Å; F376-K458 HydrophobicContact CZ-CG 4.13Å; D454-K458 HydrophobicContact CB-CD 4.19Å; D454-K458 VanDerWaalsContact O-CB 3.23Å; D454-K458 WeakPolarHBondContact O-CB 3.28Å; D454-K458 WeakPolarHBondContact O-CG 3.29Å; D454-K458 PolarHBondContact O-N 2.96Å; D454-K458 WeakPolarHBondContact OD2-CE 3.44Å; D454-K458 IonicContact OD2-NZ 2.79Å; D454-K458 PolarHBondContact OD2-NZ 3.09Å; L455-K458 PolarHBondContact O-N 3.36Å; K458-Q462 WeakPolarHBondContact O-CB 3.33Å; K458-Q462 WeakPolarHBondContact O-CG 3.43Å; K458-Q462 PolarHBondContact O-N 3.45Å; K458-Y585 WeakPolarHBondContact CE-OH 3.48Å; K458-Y585 PolarHBondContact NZ-OH 3.02Å; K458-L589 HydrophobicContact CG-CD1 4.4Å
459F98.9Very high97.6Very high0 Ų09.6 Ų9.60%04%0.043CC..Hα-helixtrans-65.9-49.9176.1180-88.2000111.8Y372 F397 K398 I401 V426 L455 N456 T457 L461 Q462 V463 M542 I549Y372-F459 HydrophobicContact CE1-CB 3.66Å; Y372-F459 AromaticContact CE1-CD2 4Å; Y372-F459 HydrophobicContact CE1-CD2 4Å; Y372-F459 HydrophobicContact CE1-CG 4.33Å; Y372-F459 HydrophobicContact CE2-CD2 4.48Å; Y372-F459 AromaticContact CZ-CD2 3.63Å; Y372-F459 WeakPolarHBondContact OH-CA 3.16Å; Y372-F459 WeakPolarHBondContact OH-CD2 3.27Å; F397-F459 HydrophobicContact CB-CD2 4.1Å; F397-F459 HydrophobicContact CB-CE2 3.73Å; K398-F459 HydrophobicContact CB-CZ 4.38Å; I401-F459 HydrophobicContact CD1-CD1 3.9Å; I401-F459 HydrophobicContact CD1-CD2 3.9Å; I401-F459 HydrophobicContact CD1-CE1 3.66Å; I401-F459 HydrophobicContact CD1-CE2 3.7Å; I401-F459 HydrophobicContact CD1-CG 4.02Å; I401-F459 HydrophobicContact CD1-CZ 3.58Å; V426-F459 HydrophobicContact CG1-CB 4.42Å; V426-F459 HydrophobicContact CG2-CB 3.51Å; V426-F459 HydrophobicContact CG2-CD2 4.25Å; V426-F459 HydrophobicContact CG2-CG 3.89Å; L455-F459 PolarHBondContact O-N 3.5Å; L455-F459 VanDerWaalsContact O-N 3.09Å; N456-F459 PolarHBondContact O-N 3.03Å; T457-F459 VanDerWaalsContact C-N 3.29Å; T457-F459 PolarHBondContact O-N 2.83Å; F459-L461 VanDerWaalsContact C-N 3.28Å; F459-L461 PolarHBondContact O-N 3.45Å; F459-Q462 PolarHBondContact O-N 3.33Å; F459-V463 HydrophobicContact CD1-CG2 4.02Å; F459-V463 HydrophobicContact CE1-CG2 3.64Å; F459-V463 HydrophobicContact CE2-CG2 4.39Å; F459-V463 HydrophobicContact CZ-CG2 3.83Å; F459-V463 WeakPolarHBondContact O-CG2 3.36Å; F459-V463 PolarHBondContact O-N 3.47Å; F459-M542 HydrophobicContact CZ-SD 4.22Å; F459-I549 HydrophobicContact CB-CD1 3.93Å; F459-I549 HydrophobicContact CD1-CD1 3.52Å; F459-I549 HydrophobicContact CE1-CD1 4.39Å; F459-I549 HydrophobicContact CG-CD1 4.02Å
460V98.9Very high97.1Very high0 Ų09.5 Ų9.50%04%0.043CC..Hα-helixtrans-56.7-45.3177.2172.50000111.2N456 T457 V463 Y464 C546 I549 M550 A593 A596 M597 M600N456-V460 PolarHBondContact O-N 3.32Å; T457-V460 PolarHBondContact O-N 3.17Å; V460-V463 PolarHBondContact O-N 3.3Å; V460-Y464 PolarHBondContact O-N 3.22Å; V460-C546 HydrophobicContact CG2-CB 4.14Å; V460-I549 HydrophobicContact CG2-CD1 3.96Å; V460-I549 HydrophobicContact CG2-CG1 4.28Å; V460-M550 HydrophobicContact CG2-CG 3.78Å; V460-M550 HydrophobicContact CG2-SD 3.82Å; V460-A593 HydrophobicContact CB-CB 4.06Å; V460-A593 HydrophobicContact CG1-CB 3.94Å; V460-A593 WeakPolarHBondContact CG1-O 3.48Å; V460-A596 HydrophobicContact CG1-CB 4.08Å; V460-M597 HydrophobicContact CG1-CG 3.71Å; V460-M597 HydrophobicContact CG1-SD 3.88Å; V460-M597 HydrophobicContact CG2-SD 4.32Å; V460-M600 HydrophobicContact CG1-CE 3.69Å
461L98.9Very high96.7Very high0 Ų011.9 Ų11.90%06%0.056CC..Hα-helixtrans-63.6-46.8178.8-73.4173.7000112.2F376 T457 F459 V463 Y464 R465 L589 A592 A593 A596 Y656F376-L461 HydrophobicContact CE2-CB 4.05Å; F376-L461 HydrophobicContact CE2-CD1 4.07Å; F376-L461 HydrophobicContact CZ-CD1 4.14Å; T457-L461 WeakPolarHBondContact O-CB 3.31Å; T457-L461 VanDerWaalsContact O-CG 3.25Å; T457-L461 WeakPolarHBondContact O-CG 3.38Å; T457-L461 PolarHBondContact O-N 2.82Å; F459-L461 VanDerWaalsContact C-N 3.28Å; F459-L461 PolarHBondContact O-N 3.45Å; L461-V463 PolarHBondContact O-N 3.1Å; L461-Y464 PolarHBondContact O-N 2.91Å; L461-R465 WeakPolarHBondContact O-CB 3.46Å; L461-R465 PolarHBondContact O-N 3.44Å; L461-L589 HydrophobicContact CD1-CD2 3.75Å; L461-A592 HydrophobicContact CD1-CB 4.11Å; L461-A592 HydrophobicContact CD2-CB 3.66Å; L461-A592 HydrophobicContact CG-CB 4.45Å; L461-A593 HydrophobicContact CG-CB 4.38Å; L461-A596 HydrophobicContact CD2-CB 4.33Å; L461-Y656 HydrophobicContact CB-CD1 3.69Å; L461-Y656 HydrophobicContact CB-CE1 3.71Å; L461-Y656 HydrophobicContact CD1-CD1 4.4Å; L461-Y656 HydrophobicContact CD2-CD1 4.27Å; L461-Y656 HydrophobicContact CG-CD1 4.35Å
462Q98.8Very high96.2Very high0 Ų011.3 Ų11.30%05%0.051CC..Hα-helixtrans-61.3-42.2175.9-77.9-178.879.100112Y372 H375 F376 S379 K458 F459 Y464 R465 D466 Y656Y372-Q462 PolarHBondContact OH-NE2 3.44Å; H375-Q462 PolarHBondContact CD2-OE1 3.26Å; H375-Q462 VanDerWaalsContact CD2-OE1 3.24Å; F376-Q462 HydrophobicContact CD2-CG 4Å; S379-Q462 PolarHBondContact OG-OE1 2.92Å; K458-Q462 WeakPolarHBondContact O-CB 3.33Å; K458-Q462 WeakPolarHBondContact O-CG 3.43Å; K458-Q462 PolarHBondContact O-N 3.45Å; F459-Q462 PolarHBondContact O-N 3.33Å; Q462-Y464 VanDerWaalsContact C-N 3.35Å; Q462-Y464 PolarHBondContact O-N 2.93Å; Q462-R465 PolarHBondContact O-N 3.27Å; Q462-D466 WeakPolarHBondContact O-CB 3.11Å; Q462-D466 PolarHBondContact O-N 2.64Å; Q462-Y656 WeakPolarHBondContact CG-OH 3.32Å
463V98.9Very high95.5Very high0 Ų012.8 Ų12.80%06%0.059CC..Hα-helixtrans-58.5-46.8176.2167.20000111.1F459 V460 L461 D466 Y467 Y538 L539 M542 M600F459-V463 HydrophobicContact CD1-CG2 4.02Å; F459-V463 HydrophobicContact CE1-CG2 3.64Å; F459-V463 HydrophobicContact CE2-CG2 4.39Å; F459-V463 HydrophobicContact CZ-CG2 3.83Å; F459-V463 WeakPolarHBondContact O-CG2 3.36Å; F459-V463 PolarHBondContact O-N 3.47Å; V460-V463 PolarHBondContact O-N 3.3Å; L461-V463 PolarHBondContact O-N 3.1Å; V463-D466 PolarHBondContact O-N 3.05Å; V463-Y467 PolarHBondContact O-N 3.15Å; V463-Y538 HydrophobicContact CG1-CE1 4.1Å; V463-Y538 WeakPolarHBondContact O-CE1 3.39Å; V463-L539 HydrophobicContact CG1-CD1 3.99Å; V463-M542 HydrophobicContact CB-CB 4.45Å; V463-M542 HydrophobicContact CG1-CB 3.54Å; V463-M542 HydrophobicContact CG1-CG 3.98Å; V463-M542 HydrophobicContact CG2-CB 3.97Å; V463-M542 HydrophobicContact CG2-CG 3.99Å; V463-M600 HydrophobicContact CG1-SD 3.92Å
464Y98.8Very high94.3Very high21 Ų2114.8 Ų14.88%0.0828%0.076CC..Hα-helixtrans-68.1-42179.7-170.3-88.5000112.5V460 L461 Q462 D466 Y467 Y468 A596 A599 M600 I603 C660 F662V460-Y464 PolarHBondContact O-N 3.22Å; L461-Y464 PolarHBondContact O-N 2.91Å; Q462-Y464 VanDerWaalsContact C-N 3.35Å; Q462-Y464 PolarHBondContact O-N 2.93Å; Y464-D466 VanDerWaalsContact C-N 3.32Å; Y464-D466 PolarHBondContact O-N 3.22Å; Y464-Y467 HydrophobicContact CD2-CD1 4.43Å; Y464-Y467 HydrophobicContact CE2-CD1 4.22Å; Y464-Y467 HydrophobicContact CE2-CE1 4.48Å; Y464-Y467 WeakPolarHBondContact O-CB 3.4Å; Y464-Y467 PolarHBondContact O-N 3.28Å; Y464-Y468 WeakPolarHBondContact O-CB 3.35Å; Y464-Y468 PolarHBondContact O-N 2.87Å; Y464-A596 HydrophobicContact CD2-CB 4.45Å; Y464-A596 HydrophobicContact CG-CB 4.06Å; Y464-A599 HydrophobicContact CD2-CB 4.41Å; Y464-A599 HydrophobicContact CE2-CB 3.54Å; Y464-M600 HydrophobicContact CD2-CG 3.58Å; Y464-M600 HydrophobicContact CD2-SD 4.48Å; Y464-M600 HydrophobicContact CE2-CG 4.25Å; Y464-I603 HydrophobicContact CE2-CD1 4.04Å; Y464-C660 HydrophobicContact CD1-CB 3.61Å; Y464-C660 HydrophobicContact CE1-CB 3.91Å; Y464-F662 AromaticContact CD1-CE2 3.63Å; Y464-F662 HydrophobicContact CD1-CE2 3.63Å; Y464-F662 HydrophobicContact CD1-CZ 4.17Å; Y464-F662 HydrophobicContact CE1-CD2 4.14Å; Y464-F662 HydrophobicContact CE1-CE1 4.46Å; Y464-F662 AromaticContact CE1-CE2 3.16Å; Y464-F662 HydrophobicContact CE1-CE2 3.16Å; Y464-F662 AromaticContact CE1-CZ 3.36Å; Y464-F662 HydrophobicContact CE1-CZ 3.36Å; Y464-F662 HydrophobicContact CE2-CZ 4.18Å; Y464-F662 HydrophobicContact CG-CE2 4.48Å; Y464-F662 AromaticContact CZ-CE2 3.7Å; Y464-F662 AromaticContact CZ-CZ 3.35Å; Y464-F662 VanDerWaalsContact OH-CZ 3.31Å; Y464-F662 WeakPolarHBondContact OH-CZ 3.31Å
465R98.6Very high92.9Very high2 Ų219.7 Ų19.71%0.00810%0.099CC..Hα-helixtrans-58.1-46.3174179.6-14552.6-149.4-11.9110.8S379 L461 Q462 Y467 Y468 V469 Y656S379-R465 VanDerWaalsContact CB-NH1 3.29Å; S379-R465 PolarHBondContact OG-NH1 3.43Å; L461-R465 WeakPolarHBondContact O-CB 3.46Å; L461-R465 PolarHBondContact O-N 3.44Å; Q462-R465 PolarHBondContact O-N 3.27Å; R465-Y467 VanDerWaalsContact C-N 3.34Å; R465-Y467 PolarHBondContact O-N 2.71Å; R465-Y468 WeakPolarHBondContact O-CB 3.41Å; R465-Y468 PolarHBondContact O-N 3.38Å; R465-Y468 VanDerWaalsContact O-N 3.1Å; R465-V469 HydrophobicContact CG-CG2 4.11Å; R465-V469 WeakPolarHBondContact O-CG2 3.06Å; R465-V469 PolarHBondContact O-N 3.35Å; R465-Y656 HydrophobicContact CB-CE1 3.94Å; R465-Y656 VanDerWaalsContact CZ-OH 3.22Å; R465-Y656 PolarHBondContact NH1-OH 2.94Å
466D98.4Very high91.5Very high4 Ų421.8 Ų21.82%0.02112%0.117CC..Hα-helixtrans-61.9-43.9-178.9-66.9-18.8000110.7Q390 Q394 Q462 V463 Y464 Y468 V469 L470 Y538Q390-D466 WeakPolarHBondContact CG-OD1 3.37Å; Q390-D466 WeakPolarHBondContact CG-OD2 3.44Å; Q390-D466 PolarHBondContact NE2-OD2 3.07Å; Q394-D466 VanDerWaalsContact CG-OD2 3.31Å; Q394-D466 WeakPolarHBondContact CG-OD2 3.11Å; Q394-D466 PolarHBondContact NE2-OD2 3.42Å; Q462-D466 WeakPolarHBondContact O-CB 3.11Å; Q462-D466 PolarHBondContact O-N 2.64Å; V463-D466 PolarHBondContact O-N 3.05Å; Y464-D466 VanDerWaalsContact C-N 3.32Å; Y464-D466 PolarHBondContact O-N 3.22Å; D466-Y468 VanDerWaalsContact C-N 3.34Å; D466-Y468 PolarHBondContact O-N 3.01Å; D466-V469 PolarHBondContact O-N 3.45Å; D466-L470 WeakPolarHBondContact O-CB 3.38Å; D466-L470 WeakPolarHBondContact O-CD1 3.45Å; D466-L470 WeakPolarHBondContact O-CG 3.23Å; D466-L470 PolarHBondContact O-N 3.38Å; D466-Y538 HydrophobicContact CB-CE1 3.77Å; D466-Y538 PolarHBondContact OD2-OH 2.79Å
467Y96.6Very high89.7Confident28 Ų2825.1 Ų25.111%0.1113%0.132CC..Hα-helixtrans-54.9-48.6170.1161.4-99.8000112.5V463 Y464 R465 L470 N471 A535 I536 L539 I603V463-Y467 PolarHBondContact O-N 3.15Å; Y464-Y467 HydrophobicContact CD2-CD1 4.43Å; Y464-Y467 HydrophobicContact CE2-CD1 4.22Å; Y464-Y467 HydrophobicContact CE2-CE1 4.48Å; Y464-Y467 WeakPolarHBondContact O-CB 3.4Å; Y464-Y467 PolarHBondContact O-N 3.28Å; R465-Y467 VanDerWaalsContact C-N 3.34Å; R465-Y467 PolarHBondContact O-N 2.71Å; Y467-L470 PolarHBondContact O-N 3.26Å; Y467-N471 WeakPolarHBondContact O-CB 3.48Å; Y467-N471 PolarHBondContact O-N 3.3Å; Y467-A535 HydrophobicContact CD2-CB 3.68Å; Y467-A535 WeakPolarHBondContact CD2-O 3.41Å; Y467-A535 HydrophobicContact CE2-CB 3.89Å; Y467-I536 HydrophobicContact CE2-CD1 3.73Å; Y467-I536 HydrophobicContact CE2-CG1 4.42Å; Y467-L539 HydrophobicContact CD1-CD2 4.4Å; Y467-L539 HydrophobicContact CD2-CB 4.05Å; Y467-L539 HydrophobicContact CD2-CD2 3.94Å; Y467-L539 HydrophobicContact CD2-CG 4.41Å; Y467-L539 HydrophobicContact CE2-CD2 4.14Å; Y467-L539 HydrophobicContact CG-CD1 4.17Å; Y467-L539 HydrophobicContact CG-CD2 4.08Å; Y467-L539 HydrophobicContact CG-CG 4.5Å; Y467-I603 HydrophobicContact CD1-CD1 4.42Å; Y467-I603 HydrophobicContact CE1-CD1 3.61Å
468Y95.5Very high87.7Confident58 Ų5829.3 Ų29.323%0.22716%0.161CC..Hα-helixtrans-62.4-47.4-178.3-178.3-102.2000111.7Y464 R465 D466 N471 E472 C660 G661 R793Y464-Y468 WeakPolarHBondContact O-CB 3.35Å; Y464-Y468 PolarHBondContact O-N 2.87Å; R465-Y468 WeakPolarHBondContact O-CB 3.41Å; R465-Y468 PolarHBondContact O-N 3.38Å; R465-Y468 VanDerWaalsContact O-N 3.1Å; D466-Y468 VanDerWaalsContact C-N 3.34Å; D466-Y468 PolarHBondContact O-N 3.01Å; Y468-N471 WeakPolarHBondContact O-CB 3.45Å; Y468-N471 PolarHBondContact O-N 3.02Å; Y468-E472 HydrophobicContact CD1-CG 4.22Å; Y468-E472 HydrophobicContact CE1-CG 3.85Å; Y468-E472 WeakPolarHBondContact CE1-OE1 3.47Å; Y468-E472 WeakPolarHBondContact CE1-OE2 3.36Å; Y468-E472 PolarHBondContact O-N 3.4Å; Y468-E472 PolarHBondContact OH-OE1 2.84Å; Y468-C660 WeakPolarHBondContact CD2-O 3.29Å; Y468-G661 VanDerWaalsContact CZ-CA 3.45Å; Y468-G661 WeakPolarHBondContact OH-CA 3.47Å; Y468-R793 VanDerWaalsContact CE1-NH2 3.28Å
469V93.5Very high85.2Confident2 Ų235.1 Ų35.11%0.01219%0.193CC..Hα-helixtrans-65.8-42.1178.9172.70000111.5A383 R465 D466 N471 E472 L473A383-V469 WeakPolarHBondContact O-CG1 3.4Å; R465-V469 HydrophobicContact CG-CG2 4.11Å; R465-V469 WeakPolarHBondContact O-CG2 3.06Å; R465-V469 PolarHBondContact O-N 3.35Å; D466-V469 PolarHBondContact O-N 3.45Å; V469-N471 PolarHBondContact O-N 3.06Å; V469-E472 PolarHBondContact O-N 2.94Å; V469-L473 HydrophobicContact CG1-CD1 3.95Å; V469-L473 HydrophobicContact CG1-CG 4.27Å; V469-L473 WeakPolarHBondContact O-CB 3.28Å; V469-L473 VanDerWaalsContact O-CG 3.32Å; V469-L473 WeakPolarHBondContact O-CG 3.49Å; V469-L473 PolarHBondContact O-N 3.15Å
470L86.5Confident82.5Confident3 Ų339.2 Ų39.22%0.01621%0.214CC..Hα-helixtrans-58.4-39.9173.9-70.6169.7000111P387 V391 D466 Y467 A474 L532 M533 A535 Y538P387-L470 HydrophobicContact CB-CD2 4.13Å; V391-L470 HydrophobicContact CG2-CD1 3.88Å; V391-L470 HydrophobicContact CG2-CD2 4.31Å; D466-L470 WeakPolarHBondContact O-CB 3.38Å; D466-L470 WeakPolarHBondContact O-CD1 3.45Å; D466-L470 WeakPolarHBondContact O-CG 3.23Å; D466-L470 PolarHBondContact O-N 3.38Å; Y467-L470 PolarHBondContact O-N 3.26Å; L470-A474 WeakPolarHBondContact O-CB 3.3Å; L470-A474 PolarHBondContact O-N 3.46Å; L470-L532 HydrophobicContact CD2-CD1 3.56Å; L470-L532 HydrophobicContact CD2-CD2 4.22Å; L470-L532 HydrophobicContact CD2-CG 3.67Å; L470-L532 WeakPolarHBondContact O-CD2 3.3Å; L470-M533 HydrophobicContact CD1-CB 4.22Å; L470-M533 HydrophobicContact CD1-CG 4.48Å; L470-M533 HydrophobicContact CD2-CB 4.15Å; L470-A535 HydrophobicContact CB-CB 3.8Å; L470-Y538 HydrophobicContact CD1-CD1 4.17Å; L470-Y538 HydrophobicContact CD1-CG 4.09Å
471N85.1Confident79.8Confident55 Ų5542.3 Ų42.329%0.29424%0.24SC..Hα-helixtrans-69.5-43176.9-168.738.1000112.3Y467 Y468 V469 A474 Q475 A535Y467-N471 WeakPolarHBondContact O-CB 3.48Å; Y467-N471 PolarHBondContact O-N 3.3Å; Y468-N471 WeakPolarHBondContact O-CB 3.45Å; Y468-N471 PolarHBondContact O-N 3.02Å; V469-N471 PolarHBondContact O-N 3.06Å; N471-A474 PolarHBondContact O-N 3.03Å; N471-Q475 PolarHBondContact ND2-NE2 2.98Å; N471-Q475 VanDerWaalsContact ND2-NE2 3.19Å; N471-Q475 VanDerWaalsContact O-CG 3.29Å; N471-Q475 WeakPolarHBondContact O-CG 3.07Å; N471-Q475 PolarHBondContact O-N 3.37Å; N471-Q475 PolarHBondContact OD1-NE2 3.2Å; N471-A535 HydrophobicContact CB-CB 4.35Å
472E84.4Confident76.9Confident52 Ų5247.1 Ų47.124%0.24327%0.274CS..Hα-helixtrans-58.3-48.1174.3-76.2-174.7135.400111.4Y468 V469 A474 Q475 A476 R793Y468-E472 HydrophobicContact CD1-CG 4.22Å; Y468-E472 HydrophobicContact CE1-CG 3.85Å; Y468-E472 WeakPolarHBondContact CE1-OE1 3.47Å; Y468-E472 WeakPolarHBondContact CE1-OE2 3.36Å; Y468-E472 PolarHBondContact O-N 3.4Å; Y468-E472 PolarHBondContact OH-OE1 2.84Å; V469-E472 PolarHBondContact O-N 2.94Å; E472-A474 VanDerWaalsContact C-N 3.34Å; E472-A474 PolarHBondContact O-N 2.77Å; E472-Q475 PolarHBondContact O-N 3.35Å; E472-A476 WeakPolarHBondContact O-CB 3.5Å; E472-A476 PolarHBondContact O-N 3.26Å; E472-R793 IonicContact OE1-CZ 2.81Å; E472-R793 IonicContact OE1-NE 2.74Å; E472-R793 PolarHBondContact OE1-NE 3.36Å; E472-R793 IonicContact OE1-NH2 2.73Å; E472-R793 IonicContact OE2-CZ 3.69Å; E472-R793 IonicContact OE2-NE 2.83Å; E472-R793 PolarHBondContact OE2-NE 3.42Å; E472-R793 IonicContact OE2-NH2 3.18Å; E472-R793 PolarHBondContact OE2-NH2 3.31Å
473L81.2Confident73.9Confident35 Ų3554.6 Ų54.618%0.18331%0.306CS..Hα-helixtrans-63.4-40.3178.8-71.4174.2000111.8P387 V469 Q475 Q477 L532P387-L473 HydrophobicContact CB-CD1 4.12Å; P387-L473 HydrophobicContact CG-CD1 3.87Å; V469-L473 HydrophobicContact CG1-CD1 3.95Å; V469-L473 HydrophobicContact CG1-CG 4.27Å; V469-L473 WeakPolarHBondContact O-CB 3.28Å; V469-L473 VanDerWaalsContact O-CG 3.32Å; V469-L473 WeakPolarHBondContact O-CG 3.49Å; V469-L473 PolarHBondContact O-N 3.15Å; L473-Q475 VanDerWaalsContact C-N 3.34Å; L473-Q477 WeakPolarHBondContact O-CB 3.15Å; L473-Q477 WeakPolarHBondContact O-CG 3.31Å; L473-Q477 PolarHBondContact O-N 2.84Å; L473-Q477 VanDerWaalsContact O-N 3.08Å; L473-L532 HydrophobicContact CB-CD2 3.63Å; L473-L532 HydrophobicContact CD1-CD1 4.09Å
474A73.1Confident70.8Confident46 Ų4662.9 Ų62.938%0.3834%0.343SS..Hα-helixtrans-62.9-40.4175.500000112.1L470 N471 E472 S478 L532L470-A474 WeakPolarHBondContact O-CB 3.3Å; L470-A474 PolarHBondContact O-N 3.46Å; N471-A474 PolarHBondContact O-N 3.03Å; E472-A474 VanDerWaalsContact C-N 3.34Å; E472-A474 PolarHBondContact O-N 2.77Å; A474-S478 PolarHBondContact O-N 3.2Å; A474-S478 VanDerWaalsContact O-N 3.12Å; A474-L532 HydrophobicContact CB-CD2 4.24Å
475Q70.4Confident68.2Low102 Ų10266.6 Ų66.648%0.47737%0.372SS..Hα-helixtrans-67.5-49.9176.8-71.417219.200111.6N471 E472 L473 Q477 S478 D479N471-Q475 PolarHBondContact ND2-NE2 2.98Å; N471-Q475 VanDerWaalsContact ND2-NE2 3.19Å; N471-Q475 VanDerWaalsContact O-CG 3.29Å; N471-Q475 WeakPolarHBondContact O-CG 3.07Å; N471-Q475 PolarHBondContact O-N 3.37Å; N471-Q475 PolarHBondContact OD1-NE2 3.2Å; E472-Q475 PolarHBondContact O-N 3.35Å; L473-Q475 VanDerWaalsContact C-N 3.34Å; Q475-Q477 PolarHBondContact O-N 2.96Å; Q475-S478 WeakPolarHBondContact O-CB 3.02Å; Q475-S478 PolarHBondContact O-N 3.49Å; Q475-D479 PolarHBondContact O-N 2.67Å
476A68.3Low65.3Low45 Ų4571 Ų7137%0.37240%0.402SS..Hα-helixtrans-58.4-3417900000112.7E472 N480E472-A476 WeakPolarHBondContact O-CB 3.5Å; E472-A476 PolarHBondContact O-N 3.26Å; A476-N480 VanDerWaalsContact O-CB 3.28Å; A476-N480 WeakPolarHBondContact O-CB 3.11Å; A476-N480 PolarHBondContact O-N 3.29Å; A476-N480 VanDerWaalsContact O-N 3.11Å; A476-N480 PolarHBondContact O-ND2 3.45Å
477Q60.6Low62.6Low74 Ų7473.9 Ų73.935%0.34642%0.417SS..Hα-helixtrans-73.5-38.4174.3-73.4-177.5200113L473 Q475 D479 N480 A481L473-Q477 WeakPolarHBondContact O-CB 3.15Å; L473-Q477 WeakPolarHBondContact O-CG 3.31Å; L473-Q477 PolarHBondContact O-N 2.84Å; L473-Q477 VanDerWaalsContact O-N 3.08Å; Q475-Q477 PolarHBondContact O-N 2.96Å; Q477-D479 VanDerWaalsContact C-N 3.25Å; Q477-D479 PolarHBondContact O-N 2.81Å; Q477-N480 PolarHBondContact O-N 3.24Å; Q477-A481 PolarHBondContact O-N 2.89Å; Q477-A481 VanDerWaalsContact O-N 3.11Å
478S57.4Low59.8Low88 Ų8878.1 Ų78.162%0.61544%0.438SS*.Hα-helixtrans-58-40.9173.7-175.50000111.3A474 Q475A474-S478 PolarHBondContact O-N 3.2Å; A474-S478 VanDerWaalsContact O-N 3.12Å; Q475-S478 WeakPolarHBondContact O-CB 3.02Å; Q475-S478 PolarHBondContact O-N 3.49Å
479D46.1Very low57.4Low123 Ų12379.5 Ų79.566%0.65845%0.445SS*.Hα-helixtrans-76.5-32.6-178.7-63.5-20.9000112.5Q475 Q477Q475-D479 PolarHBondContact O-N 2.67Å; Q477-D479 VanDerWaalsContact C-N 3.25Å; Q477-D479 PolarHBondContact O-N 2.81Å
480N43.4Very low54.8Low85 Ų8584.8 Ų84.846%0.45547%0.472SS..Hα-helixtrans-86.2-0.8179.6-76.6-46.3000115.2A476 Q477 S482 K483A476-N480 VanDerWaalsContact O-CB 3.28Å; A476-N480 WeakPolarHBondContact O-CB 3.11Å; A476-N480 PolarHBondContact O-N 3.29Å; A476-N480 VanDerWaalsContact O-N 3.11Å; A476-N480 PolarHBondContact O-ND2 3.45Å; Q477-N480 PolarHBondContact O-N 3.24Å; N480-S482 PolarHBondContact O-N 2.61Å; N480-K483 PolarHBondContact O-N 3.48Å
481A42.4Very low52.5Low66 Ų6688.5 Ų88.555%0.54549%0.492SS..THydrogen-bonded Turntrans-56.7-9.9175.900000114Q477Q477-A481 PolarHBondContact O-N 2.89Å; Q477-A481 VanDerWaalsContact O-N 3.11Å
482S37.6Very low50.3Low100 Ų10094.9 Ų94.970%0.69952%0.517SS*.THydrogen-bonded Turntrans-100.4-8173.566.60000115.8N480N480-S482 PolarHBondContact O-N 2.61Å
483K35.9Very low48Very low158 Ų15899.4 Ų99.469%0.68754%0.539SS*.THydrogen-bonded Turntrans-135.5-14.3-166.9-82.3-176.2179.6174.50119.7N480N480-K483 PolarHBondContact O-N 3.48Å
484F33.7Very low46Very low174 Ų174100 Ų10076%0.76355%0.545SS*.  trans-146.994.7175.1-70-79.2000112.4S486F484-S486 PolarHBondContact O-N 2.87Å; F484-S486 VanDerWaalsContact O-N 3.13Å
485S44.2Very low44.5Very low99 Ų99100.7 Ų100.769%0.69254%0.543SS*.THydrogen-bonded Turntrans-76.795.5-179.766.80000112.3
486S37.8Very low43Very low93 Ų93103.5 Ų103.565%0.6555%0.55SS*.THydrogen-bonded Turntrans-134.2-5.8136.859.10000112.8F484F484-S486 PolarHBondContact O-N 2.87Å; F484-S486 VanDerWaalsContact O-N 3.13Å
487I41.7Very low41.7Very low65 Ų65107.1 Ų107.133%0.33356%0.559SS.*  trans-128.495.6171.1-59.3174.7000107.2
488E36.9Very low40.9Very low117 Ų117109.4 Ų109.455%0.54757%0.573SS.*  trans-107.6123.8166.2-78.4-177.6173.200108.4K529E488-K529 PolarHBondContact O-NZ 3.33Å
489F44.6Very low40.2Very low87 Ų87110.7 Ų110.738%0.38257%0.565SS.*  trans-108.4133.7165.4-122.7-86.3000111.7D491 L495 M521 K529 Y531F489-D491 PolarHBondContact O-N 3.48Å; F489-L495 HydrophobicContact CD1-CD1 4.49Å; F489-M521 HydrophobicContact CD1-CE 3.51Å; F489-M521 HydrophobicContact CD1-SD 3.88Å; F489-M521 HydrophobicContact CE1-CE 3.43Å; F489-M521 VanDerWaalsContact CE1-CE 3.43Å; F489-M521 HydrophobicContact CE1-SD 3.63Å; F489-M521 HydrophobicContact CZ-CE 4.45Å; F489-M521 HydrophobicContact CZ-SD 4.13Å; F489-K529 HydrophobicContact CE2-CD 4.43Å; F489-Y531 HydrophobicContact CD2-CE1 4.09Å; F489-Y531 HydrophobicContact CE1-CE1 4.08Å; F489-Y531 AromaticContact CE2-CD1 3.84Å; F489-Y531 HydrophobicContact CE2-CD1 3.84Å; F489-Y531 AromaticContact CE2-CE1 3.02Å; F489-Y531 HydrophobicContact CE2-CE1 3.02Å; F489-Y531 HydrophobicContact CE2-CE2 4.35Å; F489-Y531 AromaticContact CE2-CZ 3.31Å; F489-Y531 VanDerWaalsContact CE2-OH 3.3Å; F489-Y531 WeakPolarHBondContact CE2-OH 3.33Å; F489-Y531 HydrophobicContact CZ-CD1 4.14Å; F489-Y531 AromaticContact CZ-CE1 3.04Å; F489-Y531 HydrophobicContact CZ-CE1 3.04Å; F489-Y531 AromaticContact CZ-CZ 3.42Å; F489-Y531 VanDerWaalsContact CZ-CZ 3.42Å; F489-Y531 WeakPolarHBondContact CZ-OH 3.38Å
490I39.7Very low40.1Very low114 Ų114107 Ų10759%0.58555%0.549SS*.  trans-56134.1178.9-67.6168.6000108.7
491D38.5Very low40.3Very low80 Ų80108.2 Ų108.243%0.42855%0.552SS.*  trans-42.9137.7-179.2151.250.5000113.7F489 E493 S494 L495F489-D491 PolarHBondContact O-N 3.48Å; D491-E493 PolarHBondContact O-N 3.43Å; D491-E493 PolarHBondContact OD1-N 2.7Å; D491-E493 WeakPolarHBondContact OD2-CB 3.37Å; D491-S494 WeakPolarHBondContact O-CB 3.45Å; D491-S494 PolarHBondContact O-N 2.84Å; D491-S494 VanDerWaalsContact O-N 3.13Å; D491-S494 WeakPolarHBondContact OD2-CB 3.28Å; D491-S494 PolarHBondContact OD2-N 2.75Å; D491-S494 PolarHBondContact OD2-OG 2.72Å; D491-L495 PolarHBondContact O-N 3.34Å
492K38Very low40.4Very low190 Ų190107.2 Ų107.283%0.82654%0.537SS*.Hα-helixtrans-56.7-34.3177.4-101.6179.2176.21720112.1Y496K492-Y496 VanDerWaalsContact O-CB 3.27Å; K492-Y496 WeakPolarHBondContact O-CB 3.22Å; K492-Y496 PolarHBondContact O-N 3.33Å
493E37.2Very low40.7Very low147 Ų147106.3 Ų106.369%0.68753%0.525SS*.Hα-helixtrans-71.4-41.5175.9-70.4-164.7153.100111.5D491 L495 Y496 E497D491-E493 PolarHBondContact O-N 3.43Å; D491-E493 PolarHBondContact OD1-N 2.7Å; D491-E493 WeakPolarHBondContact OD2-CB 3.37Å; E493-L495 VanDerWaalsContact C-N 3.33Å; E493-L495 PolarHBondContact O-N 2.99Å; E493-Y496 CarbonylContact O-C 3.53Å; E493-Y496 PolarHBondContact O-N 2.99Å; E493-E497 WeakPolarHBondContact O-CB 3.15Å; E493-E497 WeakPolarHBondContact O-CG 3.3Å; E493-E497 PolarHBondContact O-N 3.33Å
494S39.8Very low41.2Very low47 Ų47106.9 Ų106.933%0.32953%0.527SS..Hα-helixtrans-60.7-38.6175-58.50000112.9D491 L498D491-S494 WeakPolarHBondContact O-CB 3.45Å; D491-S494 PolarHBondContact O-N 2.84Å; D491-S494 VanDerWaalsContact O-N 3.13Å; D491-S494 WeakPolarHBondContact OD2-CB 3.28Å; D491-S494 PolarHBondContact OD2-N 2.75Å; D491-S494 PolarHBondContact OD2-OG 2.72Å; S494-L498 WeakPolarHBondContact O-CB 3.18Å; S494-L498 PolarHBondContact O-N 3.12Å
495L41.6Very low42.2Very low61 Ų61105.8 Ų105.832%0.31952%0.518SS..Hα-helixtrans-72.1-38.4174.1-102.2151000112.6F489 D491 E493 Y499 M521F489-L495 HydrophobicContact CD1-CD1 4.49Å; D491-L495 PolarHBondContact O-N 3.34Å; E493-L495 VanDerWaalsContact C-N 3.33Å; E493-L495 PolarHBondContact O-N 2.99Å; L495-Y499 VanDerWaalsContact O-CB 3.24Å; L495-Y499 WeakPolarHBondContact O-CB 3.49Å; L495-Y499 PolarHBondContact O-N 2.78Å; L495-M521 HydrophobicContact CD1-CE 3.57Å
496Y38.8Very low42.4Very low161 Ų161111.3 Ų111.363%0.63153%0.529SS*.Hα-helixtrans-68.8-36.6174.9-171-96.1000112.2K492 E493 Y499 S500K492-Y496 VanDerWaalsContact O-CB 3.27Å; K492-Y496 WeakPolarHBondContact O-CB 3.22Å; K492-Y496 PolarHBondContact O-N 3.33Å; E493-Y496 CarbonylContact O-C 3.53Å; E493-Y496 PolarHBondContact O-N 2.99Å; Y496-Y499 PolarHBondContact O-N 2.93Å; Y496-S500 WeakPolarHBondContact O-CB 3.21Å; Y496-S500 PolarHBondContact O-N 3.26Å
497E40.6Very low43.2Very low120 Ų120108.8 Ų108.856%0.56151%0.509SS*.Hα-helixtrans-68.2-42.7173.3-78.9-165.3154.200111.9E493 Y499 S500 Q501E493-E497 WeakPolarHBondContact O-CB 3.15Å; E493-E497 WeakPolarHBondContact O-CG 3.3Å; E493-E497 PolarHBondContact O-N 3.33Å; E497-Y499 VanDerWaalsContact C-N 3.32Å; E497-Y499 PolarHBondContact O-N 3.1Å; E497-S500 PolarHBondContact O-N 3.42Å; E497-Q501 WeakPolarHBondContact O-CB 3.28Å; E497-Q501 VanDerWaalsContact O-CG 3.24Å; E497-Q501 WeakPolarHBondContact O-CG 3.43Å; E497-Q501 PolarHBondContact O-N 3.01Å
498L42.9Very low44.1Very low123 Ų123108.4 Ų108.464%0.64451%0.512SS*.Hα-helixtrans-58.1-46.1171.9-119.2106.3000110.9S494 Q501 D502S494-L498 WeakPolarHBondContact O-CB 3.18Å; S494-L498 PolarHBondContact O-N 3.12Å; L498-Q501 PolarHBondContact O-N 2.73Å; L498-D502 WeakPolarHBondContact O-CB 3.48Å; L498-D502 PolarHBondContact O-N 3.39Å
499Y43.5Very low45Very low115 Ų115106.7 Ų106.745%0.45152%0.517SS..Hα-helixtrans-63.8-40.7177.4177.1-96000113.3L495 Y496 E497 N503L495-Y499 VanDerWaalsContact O-CB 3.24Å; L495-Y499 WeakPolarHBondContact O-CB 3.49Å; L495-Y499 PolarHBondContact O-N 2.78Å; Y496-Y499 PolarHBondContact O-N 2.93Å; E497-Y499 VanDerWaalsContact C-N 3.32Å; E497-Y499 PolarHBondContact O-N 3.1Å; Y499-N503 VanDerWaalsContact CE1-ND2 3.27Å; Y499-N503 WeakPolarHBondContact CE1-ND2 3.34Å; Y499-N503 WeakPolarHBondContact O-CB 3.48Å; Y499-N503 PolarHBondContact O-N 2.87Å; Y499-N503 VanDerWaalsContact O-N 3.09Å; Y499-N503 PolarHBondContact O-ND2 2.79Å
500S44.3Very low45.1Very low44 Ų44108.1 Ų108.131%0.30853%0.529SS..Hα-helixtrans-69.1-35.7177.7-177.30000111.9Y496 E497 K504Y496-S500 WeakPolarHBondContact O-CB 3.21Å; Y496-S500 PolarHBondContact O-N 3.26Å; E497-S500 PolarHBondContact O-N 3.42Å; S500-K504 WeakPolarHBondContact O-CG 3.34Å; S500-K504 PolarHBondContact O-N 3.49Å
501Q47.4Very low45.4Very low111 Ų111107 Ų10752%0.51952%0.521SS..Hα-helixtrans-73.1-37.9175.4-71.9-17922.100112.3E497 L498 K504 R505E497-Q501 WeakPolarHBondContact O-CB 3.28Å; E497-Q501 VanDerWaalsContact O-CG 3.24Å; E497-Q501 WeakPolarHBondContact O-CG 3.43Å; E497-Q501 PolarHBondContact O-N 3.01Å; L498-Q501 PolarHBondContact O-N 2.73Å; Q501-K504 PolarHBondContact O-N 3.43Å; Q501-R505 PolarHBondContact O-N 3.45Å
502D43.4Very low45.9Very low45 Ų45107.2 Ų107.224%0.24152%0.519CS..Hα-helixtrans-72.7-35.1179.2-115.35.8000113.1L498 K504 R505 N515L498-D502 WeakPolarHBondContact O-CB 3.48Å; L498-D502 PolarHBondContact O-N 3.39Å; D502-K504 PolarHBondContact O-N 2.94Å; D502-R505 PolarHBondContact O-N 3.48Å; D502-R505 VanDerWaalsContact O-N 3.17Å; D502-N515 PolarHBondContact OD2-ND2 3.13Å
503N44.2Very low46.2Very low81 Ų81104 Ų10443%0.43351%0.506SS..Hα-helixtrans-70.2-19.2173.6-86.1-45000113.8Y499Y499-N503 VanDerWaalsContact CE1-ND2 3.27Å; Y499-N503 WeakPolarHBondContact CE1-ND2 3.34Å; Y499-N503 WeakPolarHBondContact O-CB 3.48Å; Y499-N503 PolarHBondContact O-N 2.87Å; Y499-N503 VanDerWaalsContact O-N 3.09Å; Y499-N503 PolarHBondContact O-ND2 2.79Å
504K47.5Very low46.4Very low170 Ų170102.9 Ų102.974%0.73950%0.501SS*.Hα-helixtrans-80.9-19.3171.6-76.2174.5-178.91720112.9S500 Q501 D502S500-K504 WeakPolarHBondContact O-CG 3.34Å; S500-K504 PolarHBondContact O-N 3.49Å; Q501-K504 PolarHBondContact O-N 3.43Å; D502-K504 PolarHBondContact O-N 2.94Å
505R52.9Low46.4Very low151 Ų151103.8 Ų103.857%0.5750%0.503SS*.SBendtrans-81.6140.6176.4-70.1176.3175175-0.8110.3Q501 D502 N507Q501-R505 PolarHBondContact O-N 3.45Å; D502-R505 PolarHBondContact O-N 3.48Å; D502-R505 VanDerWaalsContact O-N 3.17Å; R505-N507 WeakPolarHBondContact CB-OD1 3.29Å; R505-N507 PolarHBondContact O-N 2.8Å
506K49.2Very low46.3Very low215 Ų215109.9 Ų109.994%0.93552%0.521SS*.  trans-75.557.4175.7-76.9-173.4175.4-179.90110.8
507N55.3Low46.2Very low41 Ų41107.7 Ų107.722%0.21952%0.515CS..  trans-74.5149.4175.5-62.8-4.8000109.8R505 E511 K512R505-N507 WeakPolarHBondContact CB-OD1 3.29Å; R505-N507 PolarHBondContact O-N 2.8Å; N507-E511 HydrophobicContact CB-CB 4.06Å; N507-K512 HydrophobicContact CB-CG 4.25Å; N507-K512 WeakPolarHBondContact O-CE 3.28Å
508S59.4Low46.1Very low57 Ų57106.3 Ų106.340%0.39952%0.518SS..  trans-63.4162177.664.60000111.9D510 E511 K512S508-D510 PolarHBondContact O-N 3.29Å; S508-E511 PolarHBondContact N-OE2 2.73Å; S508-E511 PolarHBondContact O-N 3.29Å; S508-E511 WeakPolarHBondContact OG-CB 3.4Å; S508-E511 VanDerWaalsContact OG-CG 3.29Å; S508-E511 WeakPolarHBondContact OG-CG 3.42Å; S508-E511 PolarHBondContact OG-N 3.01Å; S508-E511 PolarHBondContact OG-OE2 3.13Å; S508-K512 WeakPolarHBondContact O-CG 3.43Å; S508-K512 PolarHBondContact O-N 2.83Å
509A55.7Low45.6Very low80 Ų80103.3 Ų103.366%0.66151%0.512SS*.Hα-helixtrans-60.4-36.3178.600000112.2K512 Q513A509-K512 PolarHBondContact O-N 2.83Å; A509-Q513 WeakPolarHBondContact O-CB 3.42Å; A509-Q513 PolarHBondContact O-N 3.34Å
510D47.6Very low45.3Very low118 Ų11899.7 Ų99.763%0.63150%0.503SS*.Hα-helixtrans-69.7-39.5177.8-67-30.9000112.2S508 Q513 Q514S508-D510 PolarHBondContact O-N 3.29Å; D510-Q513 CarbonylContact O-C 3.59Å; D510-Q513 WeakPolarHBondContact O-CB 3.45Å; D510-Q513 PolarHBondContact O-N 3.02Å; D510-Q514 PolarHBondContact O-N 2.69Å
511E46.1Very low45.1Very low90 Ų90101.8 Ų101.842%0.42151%0.509SS..Hα-helixtrans-67.7-38.1173.3-75.9166.5149.200111.9N507 S508 Q513 Q514 N515N507-E511 HydrophobicContact CB-CB 4.06Å; S508-E511 PolarHBondContact N-OE2 2.73Å; S508-E511 PolarHBondContact O-N 3.29Å; S508-E511 WeakPolarHBondContact OG-CB 3.4Å; S508-E511 VanDerWaalsContact OG-CG 3.29Å; S508-E511 WeakPolarHBondContact OG-CG 3.42Å; S508-E511 PolarHBondContact OG-N 3.01Å; S508-E511 PolarHBondContact OG-OE2 3.13Å; E511-Q513 VanDerWaalsContact C-N 3.26Å; E511-Q513 PolarHBondContact O-N 2.83Å; E511-Q514 PolarHBondContact O-N 3.31Å; E511-N515 WeakPolarHBondContact O-CB 3.32Å; E511-N515 VanDerWaalsContact O-CG 3.24Å; E511-N515 PolarHBondContact O-N 3.32Å; E511-N515 PolarHBondContact O-OD1 3.02Å
512K47.5Very low44.9Very low85 Ų85100 Ų10037%0.3750%0.498SS..Hα-helixtrans-65.4-32.4172.5-72.8-177.2179.5-172.30111.8N507 S508 A509 R516N507-K512 HydrophobicContact CB-CG 4.25Å; N507-K512 WeakPolarHBondContact O-CE 3.28Å; S508-K512 WeakPolarHBondContact O-CG 3.43Å; S508-K512 PolarHBondContact O-N 2.83Å; A509-K512 PolarHBondContact O-N 2.83Å; K512-R516 WeakPolarHBondContact O-CB 3.42Å; K512-R516 WeakPolarHBondContact O-CG 3.45Å; K512-R516 PolarHBondContact O-N 2.72Å
513Q45Very low44.8Very low122 Ų122100.1 Ų100.157%0.5750%0.498SS*.Hα-helixtrans-73.4-37.7174.4-169.3167.6-2.800111.7A509 D510 E511 K517A509-Q513 WeakPolarHBondContact O-CB 3.42Å; A509-Q513 PolarHBondContact O-N 3.34Å; D510-Q513 CarbonylContact O-C 3.59Å; D510-Q513 WeakPolarHBondContact O-CB 3.45Å; D510-Q513 PolarHBondContact O-N 3.02Å; E511-Q513 VanDerWaalsContact C-N 3.26Å; E511-Q513 PolarHBondContact O-N 2.83Å; Q513-K517 WeakPolarHBondContact O-CG 3.2Å; Q513-K517 PolarHBondContact O-N 3.16Å
514Q42.6Very low44.4Very low124 Ų12499.4 Ų99.458%0.57949%0.494SS*.Hα-helixtrans-66.2-39.8170.6-106171.8-22.700112.7D510 E511 K517 S518D510-Q514 PolarHBondContact O-N 2.69Å; E511-Q514 PolarHBondContact O-N 3.31Å; Q514-K517 VanDerWaalsContact O-CB 3.27Å; Q514-K517 WeakPolarHBondContact O-CB 3.32Å; Q514-K517 PolarHBondContact O-N 2.71Å; Q514-K517 VanDerWaalsContact O-N 3.16Å; Q514-S518 PolarHBondContact O-N 3.22Å
515N39.1Very low44Very low66 Ų6697.5 Ų97.535%0.35349%0.488SS..Hα-helixtrans-75.9-28.2179-66.9-1000111.9D502 E511 K517 S518 A519D502-N515 PolarHBondContact OD2-ND2 3.13Å; E511-N515 WeakPolarHBondContact O-CB 3.32Å; E511-N515 VanDerWaalsContact O-CG 3.24Å; E511-N515 PolarHBondContact O-N 3.32Å; E511-N515 PolarHBondContact O-OD1 3.02Å; N515-K517 VanDerWaalsContact C-N 3.31Å; N515-S518 WeakPolarHBondContact O-CB 2.84Å; N515-S518 PolarHBondContact O-N 3.06Å; N515-A519 PolarHBondContact O-N 3.16Å
516R38.5Very low43.2Very low188 Ų18896.9 Ų96.971%0.70950%0.501SS*.Hα-helixtrans-62-35.8165.3-88.4178.5166.8176.9-4.6112.5K512 S518 A519 S520K512-R516 WeakPolarHBondContact O-CB 3.42Å; K512-R516 WeakPolarHBondContact O-CG 3.45Å; K512-R516 PolarHBondContact O-N 2.72Å; R516-S518 PolarHBondContact O-N 2.92Å; R516-A519 PolarHBondContact O-N 3.27Å; R516-S520 PolarHBondContact O-N 2.86Å; R516-S520 PolarHBondContact O-OG 2.78Å
517K37.9Very low42.6Very low115 Ų11590 Ų9050%0.548%0.475SS..THydrogen-bonded Turntrans-64.6-17.8170.7-64.2172.7179.8-176.30113.2Q513 Q514 N515Q513-K517 WeakPolarHBondContact O-CG 3.2Å; Q513-K517 PolarHBondContact O-N 3.16Å; Q514-K517 VanDerWaalsContact O-CB 3.27Å; Q514-K517 WeakPolarHBondContact O-CB 3.32Å; Q514-K517 PolarHBondContact O-N 2.71Å; Q514-K517 VanDerWaalsContact O-N 3.16Å; N515-K517 VanDerWaalsContact C-N 3.31Å
518S37.2Very low41.8Very low91 Ų9191.6 Ų91.664%0.63650%0.501SS*.THydrogen-bonded Turntrans-90.7-13.6176.5-167.90000113.4Q514 N515 R516Q514-S518 PolarHBondContact O-N 3.22Å; N515-S518 WeakPolarHBondContact O-CB 2.84Å; N515-S518 PolarHBondContact O-N 3.06Å; R516-S518 PolarHBondContact O-N 2.92Å
519A33.8Very low41.2Very low61 Ų6192.1 Ų92.150%0.50450%0.496SS..THydrogen-bonded Turntrans-100.2-22.1-178.500000113.3N515 R516N515-A519 PolarHBondContact O-N 3.16Å; R516-A519 PolarHBondContact O-N 3.27Å
520S37.1Very low40.8Very low38 Ų3890.4 Ų90.427%0.26648%0.477SS..SBendtrans-84.1102.7158.1480000107.2R516 Y522R516-S520 PolarHBondContact O-N 2.86Å; R516-S520 PolarHBondContact O-OG 2.78Å; S520-Y522 VanDerWaalsContact O-CD2 3.22Å; S520-Y522 WeakPolarHBondContact O-CD2 3.37Å; S520-Y522 PolarHBondContact O-N 3.47Å
521M38.8Very low41.4Very low89 Ų8985.8 Ų85.844%0.43845%0.451SS..  trans-64.492.6-169.8-76.7-173.7-168.200112.3F489 L495 Y531F489-M521 HydrophobicContact CD1-CE 3.51Å; F489-M521 HydrophobicContact CD1-SD 3.88Å; F489-M521 HydrophobicContact CE1-CE 3.43Å; F489-M521 VanDerWaalsContact CE1-CE 3.43Å; F489-M521 HydrophobicContact CE1-SD 3.63Å; F489-M521 HydrophobicContact CZ-CE 4.45Å; F489-M521 HydrophobicContact CZ-SD 4.13Å; L495-M521 HydrophobicContact CD1-CE 3.57Å; M521-Y531 HydrophobicContact CB-CD1 4.08Å; M521-Y531 HydrophobicContact CB-CE1 4.34Å; M521-Y531 HydrophobicContact CG-CE1 4.48Å; M521-Y531 HydrophobicContact SD-CD1 4.31Å; M521-Y531 HydrophobicContact SD-CE1 4.23Å
522Y44.2Very low42.3Very low74 Ų7483.4 Ų83.429%0.2944%0.441SS..  trans-99.1146.4157.6-66.7-79.8000108.1Y348 D349 S520 N524Y348-Y522 HydrophobicContact CE2-CD2 4.32Å; Y348-Y522 HydrophobicContact CE2-CE2 4.14Å; D349-Y522 VanDerWaalsContact CA-CE1 3.49Å; D349-Y522 VanDerWaalsContact CA-OH 3.26Å; D349-Y522 WeakPolarHBondContact CA-OH 3.49Å; D349-Y522 HydrophobicContact CB-CE1 4.18Å; D349-Y522 HydrophobicContact CB-CE2 3.57Å; D349-Y522 WeakPolarHBondContact CB-OH 3.44Å; D349-Y522 WeakPolarHBondContact O-CE1 3.3Å; D349-Y522 VanDerWaalsContact O-CZ 3.26Å; D349-Y522 PolarHBondContact O-OH 2.64Å; S520-Y522 VanDerWaalsContact O-CD2 3.22Å; S520-Y522 WeakPolarHBondContact O-CD2 3.37Å; S520-Y522 PolarHBondContact O-N 3.47Å; Y522-N524 PolarHBondContact O-N 3.04Å
523I40.5Very low43.7Very low46 Ų4680.2 Ų80.224%0.23643%0.428CS..  trans-21.3118.3-179.8-47.5163.8000113.6A354 E525A354-I523 HydrophobicContact CB-CD1 3.34Å; A354-I523 HydrophobicContact CB-CG1 4.09Å; I523-E525 HydrophobicContact CB-CG 3.83Å; I523-E525 HydrophobicContact CD1-CG 4.48Å; I523-E525 HydrophobicContact CG2-CB 4.23Å; I523-E525 HydrophobicContact CG2-CG 3.33Å; I523-E525 PolarHBondContact O-N 3.12Å
524N35.5Very low45.3Very low66 Ų6679.2 Ų79.235%0.35343%0.426SS..  trans-77.884.3157.4-171.4-34.9000107.7Y522 T526 N527 Y531Y522-N524 PolarHBondContact O-N 3.04Å; N524-T526 PolarHBondContact O-N 2.96Å; N524-T526 VanDerWaalsContact OD1-CB 3.3Å; N524-T526 WeakPolarHBondContact OD1-CB 3.29Å; N524-T526 PolarHBondContact OD1-N 2.88Å; N524-T526 PolarHBondContact OD1-OG1 2.91Å; N524-N527 PolarHBondContact O-N 2.96Å; N524-N527 PolarHBondContact O-OD1 3.22Å; N524-N527 PolarHBondContact OD1-N 3.42Å; N524-Y531 HydrophobicContact CB-CE2 4.4Å; N524-Y531 WeakPolarHBondContact CB-OH 3.43Å
525E39.8Very low47.3Very low130 Ų13073.8 Ų73.861%0.60740%0.402SS*.THydrogen-bonded Turntrans-61.6-11.7-178.7-69.4-171.8156.900112.5K273 I523K273-E525 VanDerWaalsContact CE-OE1 3.29Å; K273-E525 WeakPolarHBondContact CE-OE1 3.2Å; K273-E525 IonicContact NZ-OE1 2.86Å; K273-E525 PolarHBondContact NZ-OE1 3.28Å; I523-E525 HydrophobicContact CB-CG 3.83Å; I523-E525 HydrophobicContact CD1-CG 4.48Å; I523-E525 HydrophobicContact CG2-CB 4.23Å; I523-E525 HydrophobicContact CG2-CG 3.33Å; I523-E525 PolarHBondContact O-N 3.12Å
526T35.9Very low49.5Very low138 Ų13873.3 Ų73.385%0.84740%0.399SS*.THydrogen-bonded Turntrans-79.3-15.1174.612.90000114.8N524N524-T526 PolarHBondContact O-N 2.96Å; N524-T526 VanDerWaalsContact OD1-CB 3.3Å; N524-T526 WeakPolarHBondContact OD1-CB 3.29Å; N524-T526 PolarHBondContact OD1-N 2.88Å; N524-T526 PolarHBondContact OD1-OG1 2.91Å
527N37.8Very low51.7Low71 Ų7165.6 Ų65.638%0.3838%0.378SS..THydrogen-bonded Turntrans-120-2-177.273.713.9000115.6N524 K529N524-N527 PolarHBondContact O-N 2.96Å; N524-N527 PolarHBondContact O-OD1 3.22Å; N524-N527 PolarHBondContact OD1-N 3.42Å; N527-K529 WeakPolarHBondContact OD1-CB 3.48Å; N527-K529 VanDerWaalsContact OD1-CG 3.32Å; N527-K529 WeakPolarHBondContact OD1-CG 3.11Å; N527-K529 PolarHBondContact OD1-N 3.25Å; N527-K529 VanDerWaalsContact OD1-N 3.13Å
528G38.4Very low54.3Low74 Ų7460.1 Ų60.176%0.76336%0.355SS*.THydrogen-bonded Turntrans74.119.9175.500000116
529K45.3Very low56.9Low68 Ų6855.8 Ų55.830%0.29632%0.324SS..  trans-93.3146.6-178.3-64.8-177.5179.4-173.10113.6E488 F489 N527 Y531E488-K529 PolarHBondContact O-NZ 3.33Å; F489-K529 HydrophobicContact CE2-CD 4.43Å; N527-K529 WeakPolarHBondContact OD1-CB 3.48Å; N527-K529 VanDerWaalsContact OD1-CG 3.32Å; N527-K529 WeakPolarHBondContact OD1-CG 3.11Å; N527-K529 PolarHBondContact OD1-N 3.25Å; N527-K529 VanDerWaalsContact OD1-N 3.13Å; K529-Y531 HydrophobicContact CB-CE2 3.89Å; K529-Y531 WeakPolarHBondContact O-CD2 3.35Å; K529-Y531 WeakPolarHBondContact O-CE2 3.5Å
530V49.1Very low59.8Low44 Ų4459.3 Ų59.327%0.26733%0.328SS..  trans-90.9135.5174.21760000109.9Y107Y107-V530 HydrophobicContact CD2-CG1 3.81Å; Y107-V530 HydrophobicContact CD2-CG2 4.33Å; Y107-V530 HydrophobicContact CE2-CG1 3.53Å
531Y59.7Low62.5Low21 Ų2159 Ų598%0.08233%0.328CS..  trans-119.5128.8-178.4-66.9-105.4000110.2Y355 N388 F489 M521 N524 K529Y355-Y531 PolarHBondContact OH-N 3.17Å; Y355-Y531 PolarHBondContact OH-O 3.44Å; N388-Y531 PolarHBondContact ND2-O 2.78Å; F489-Y531 HydrophobicContact CD2-CE1 4.09Å; F489-Y531 HydrophobicContact CE1-CE1 4.08Å; F489-Y531 AromaticContact CE2-CD1 3.84Å; F489-Y531 HydrophobicContact CE2-CD1 3.84Å; F489-Y531 AromaticContact CE2-CE1 3.02Å; F489-Y531 HydrophobicContact CE2-CE1 3.02Å; F489-Y531 HydrophobicContact CE2-CE2 4.35Å; F489-Y531 AromaticContact CE2-CZ 3.31Å; F489-Y531 VanDerWaalsContact CE2-OH 3.3Å; F489-Y531 WeakPolarHBondContact CE2-OH 3.33Å; F489-Y531 HydrophobicContact CZ-CD1 4.14Å; F489-Y531 AromaticContact CZ-CE1 3.04Å; F489-Y531 HydrophobicContact CZ-CE1 3.04Å; F489-Y531 AromaticContact CZ-CZ 3.42Å; F489-Y531 VanDerWaalsContact CZ-CZ 3.42Å; F489-Y531 WeakPolarHBondContact CZ-OH 3.38Å; M521-Y531 HydrophobicContact CB-CD1 4.08Å; M521-Y531 HydrophobicContact CB-CE1 4.34Å; M521-Y531 HydrophobicContact CG-CE1 4.48Å; M521-Y531 HydrophobicContact SD-CD1 4.31Å; M521-Y531 HydrophobicContact SD-CE1 4.23Å; N524-Y531 HydrophobicContact CB-CE2 4.4Å; N524-Y531 WeakPolarHBondContact CB-OH 3.43Å; K529-Y531 HydrophobicContact CB-CE2 3.89Å; K529-Y531 WeakPolarHBondContact O-CD2 3.35Å; K529-Y531 WeakPolarHBondContact O-CE2 3.5Å
532L64.8Low65.3Low40 Ų4054.8 Ų54.821%0.20931%0.307CS..PPolyproline II helixtrans-71.6141.7173.2-165.768.2000110P387 L470 L473 A474 D534P387-L532 HydrophobicContact CB-CD1 3.9Å; P387-L532 HydrophobicContact CG-CD1 3.63Å; L470-L532 HydrophobicContact CD2-CD1 3.56Å; L470-L532 HydrophobicContact CD2-CD2 4.22Å; L470-L532 HydrophobicContact CD2-CG 3.67Å; L470-L532 WeakPolarHBondContact O-CD2 3.3Å; L473-L532 HydrophobicContact CB-CD2 3.63Å; L473-L532 HydrophobicContact CD1-CD1 4.09Å; A474-L532 HydrophobicContact CB-CD2 4.24Å; L532-D534 PolarHBondContact O-N 3.01Å
533M77.4Confident67.9Low19 Ų1952.3 Ų52.39%0.09430%0.298CS..PPolyproline II helixtrans-58.9136.3172.2-175.765.2177.600110.9P351 N388 V391 Y395 L470 A535P351-M533 HydrophobicContact CB-SD 4.3Å; P351-M533 HydrophobicContact CG-SD 4.49Å; N388-M533 PolarHBondContact OD1-N 2.89Å; N388-M533 VanDerWaalsContact OD1-N 3.15Å; V391-M533 HydrophobicContact CG1-CB 4.3Å; V391-M533 HydrophobicContact CG1-CG 4.02Å; V391-M533 HydrophobicContact CG2-CB 4.32Å; Y395-M533 HydrophobicContact CE2-CE 4.44Å; Y395-M533 WeakPolarHBondContact OH-CE 3.31Å; L470-M533 HydrophobicContact CD1-CB 4.22Å; L470-M533 HydrophobicContact CD1-CG 4.48Å; L470-M533 HydrophobicContact CD2-CB 4.15Å; M533-A535 PolarHBondContact O-N 2.98Å
534D78.3Confident70.7Confident100 Ų10053.5 Ų53.554%0.53531%0.314SS..PPolyproline II helixtrans-62.8118.2172.817758000110.2L532 I536 G537 Y538L532-D534 PolarHBondContact O-N 3.01Å; D534-I536 VanDerWaalsContact C-N 3.31Å; D534-I536 PolarHBondContact O-N 3.19Å; D534-G537 PolarHBondContact O-N 3.19Å; D534-G537 WeakPolarHBondContact OD2-CA 3.49Å; D534-G537 PolarHBondContact OD2-N 3.24Å; D534-Y538 WeakPolarHBondContact O-CB 3.31Å; D534-Y538 PolarHBondContact O-N 3.46Å
535A84.1Confident73.7Confident10 Ų1051.2 Ų51.28%0.08330%0.304CS..Hα-helixtrans-59.8-41.7-174.200000111.7Y467 L470 N471 M533 Y538 L539Y467-A535 HydrophobicContact CD2-CB 3.68Å; Y467-A535 WeakPolarHBondContact CD2-O 3.41Å; Y467-A535 HydrophobicContact CE2-CB 3.89Å; L470-A535 HydrophobicContact CB-CB 3.8Å; N471-A535 HydrophobicContact CB-CB 4.35Å; M533-A535 PolarHBondContact O-N 2.98Å; A535-Y538 PolarHBondContact O-N 3.32Å; A535-L539 WeakPolarHBondContact O-CB 3.5Å; A535-L539 PolarHBondContact O-N 2.91Å
536I86.2Confident76.5Confident57 Ų5745 Ų4529%0.29228%0.275SS..Hα-helixtrans-71-42.1-179.3-65.6-68.3000111.4Y467 D534 Y538 L539 K540 I603Y467-I536 HydrophobicContact CE2-CD1 3.73Å; Y467-I536 HydrophobicContact CE2-CG1 4.42Å; D534-I536 VanDerWaalsContact C-N 3.31Å; D534-I536 PolarHBondContact O-N 3.19Å; I536-Y538 VanDerWaalsContact C-N 3.35Å; I536-L539 PolarHBondContact O-N 2.84Å; I536-K540 HydrophobicContact CG2-CD 4.08Å; I536-K540 WeakPolarHBondContact O-CB 3.48Å; I536-K540 WeakPolarHBondContact O-CG 3.49Å; I536-K540 PolarHBondContact O-N 3.3Å; I536-I603 HydrophobicContact CD1-CG2 3.69Å
537G84.5Confident79.4Confident26 Ų2641.6 Ų41.627%0.26825%0.248SC..Hα-helixtrans-59.5-45.317400000111.9D534 K540 A541D534-G537 PolarHBondContact O-N 3.19Å; D534-G537 WeakPolarHBondContact OD2-CA 3.49Å; D534-G537 PolarHBondContact OD2-N 3.24Å; G537-K540 PolarHBondContact O-N 3.33Å; G537-A541 WeakPolarHBondContact O-CB 3.48Å; G537-A541 PolarHBondContact O-N 3.02Å
538Y91Very high82.3Confident0 Ų039.5 Ų39.50%024%0.241CC..Hα-helixtrans-56.7-51.1172.1171.3-98.4000111.7V391 Q394 Y395 V463 D466 L470 D534 A535 I536 K540 A541 M542V391-Y538 HydrophobicContact CB-CD2 4.4Å; V391-Y538 HydrophobicContact CB-CE2 4.31Å; V391-Y538 HydrophobicContact CG1-CD2 3.74Å; V391-Y538 HydrophobicContact CG1-CE2 3.97Å; V391-Y538 HydrophobicContact CG2-CD2 3.98Å; V391-Y538 HydrophobicContact CG2-CE2 3.97Å; Q394-Y538 HydrophobicContact CB-CE2 4.13Å; Q394-Y538 WeakPolarHBondContact CG-OH 3.24Å; Q394-Y538 PolarHBondContact NE2-OH 3.36Å; Y395-Y538 AromaticContact CE2-CD2 3.93Å; Y395-Y538 HydrophobicContact CE2-CD2 3.93Å; Y395-Y538 HydrophobicContact CE2-CE2 4.33Å; V463-Y538 HydrophobicContact CG1-CE1 4.1Å; V463-Y538 WeakPolarHBondContact O-CE1 3.39Å; D466-Y538 HydrophobicContact CB-CE1 3.77Å; D466-Y538 PolarHBondContact OD2-OH 2.79Å; L470-Y538 HydrophobicContact CD1-CD1 4.17Å; L470-Y538 HydrophobicContact CD1-CG 4.09Å; D534-Y538 WeakPolarHBondContact O-CB 3.31Å; D534-Y538 PolarHBondContact O-N 3.46Å; A535-Y538 PolarHBondContact O-N 3.32Å; I536-Y538 VanDerWaalsContact C-N 3.35Å; Y538-K540 VanDerWaalsContact C-N 3.34Å; Y538-K540 PolarHBondContact O-N 3.33Å; Y538-A541 WeakPolarHBondContact O-CB 3.33Å; Y538-A541 PolarHBondContact O-N 2.82Å; Y538-A541 VanDerWaalsContact O-N 3.1Å; Y538-M542 HydrophobicContact CD2-CE 4.02Å; Y538-M542 HydrophobicContact CD2-CG 4.35Å; Y538-M542 HydrophobicContact CE1-CG 4.18Å; Y538-M542 HydrophobicContact CE2-CE 3.47Å; Y538-M542 VanDerWaalsContact CE2-CE 3.47Å; Y538-M542 HydrophobicContact CE2-CG 3.91Å; Y538-M542 HydrophobicContact CE2-SD 4.49Å; Y538-M542 WeakPolarHBondContact O-CG 2.89Å; Y538-M542 PolarHBondContact O-N 3.01Å; Y538-M542 VanDerWaalsContact O-N 3.1Å
539L92.8Very high85.2Confident0 Ų036 Ų360%020%0.204CC..Hα-helixtrans-60.7-43.5-178.2-163.462.4000112V463 Y467 A535 I536 A541 M542 Y543 M600 I603 L604V463-L539 HydrophobicContact CG1-CD1 3.99Å; Y467-L539 HydrophobicContact CD1-CD2 4.4Å; Y467-L539 HydrophobicContact CD2-CB 4.05Å; Y467-L539 HydrophobicContact CD2-CD2 3.94Å; Y467-L539 HydrophobicContact CD2-CG 4.41Å; Y467-L539 HydrophobicContact CE2-CD2 4.14Å; Y467-L539 HydrophobicContact CG-CD1 4.17Å; Y467-L539 HydrophobicContact CG-CD2 4.08Å; Y467-L539 HydrophobicContact CG-CG 4.5Å; A535-L539 WeakPolarHBondContact O-CB 3.5Å; A535-L539 PolarHBondContact O-N 2.91Å; I536-L539 PolarHBondContact O-N 2.84Å; L539-A541 VanDerWaalsContact C-N 3.31Å; L539-A541 PolarHBondContact O-N 2.87Å; L539-M542 PolarHBondContact O-N 2.89Å; L539-Y543 WeakPolarHBondContact O-CB 3.43Å; L539-Y543 PolarHBondContact O-N 2.85Å; L539-M600 HydrophobicContact CD1-CG 3.7Å; L539-M600 HydrophobicContact CD1-SD 3.39Å; L539-M600 WeakPolarHBondContact CD1-SD 3.45Å; L539-M600 HydrophobicContact CD2-CG 4.24Å; L539-M600 HydrophobicContact CG-CG 4.3Å; L539-M600 HydrophobicContact CG-SD 4.34Å; L539-I603 HydrophobicContact CD2-CB 4.18Å; L539-I603 HydrophobicContact CD2-CD1 4.19Å; L539-I603 HydrophobicContact CD2-CG2 3.75Å; L539-L604 HydrophobicContact CD2-CD1 4.5Å; L539-L604 HydrophobicContact CD2-CD2 4.44Å; L539-L604 HydrophobicContact CD2-CG 4.31Å; L539-L604 HydrophobicContact CG-CD1 4.23Å
540K93.8Very high87.7Confident134 Ų13432.7 Ų32.758%0.58319%0.19SC*.Hα-helixtrans-59.5-41.1174.9-76.3172.7179.4173.40112.1I536 G537 Y538 M542 L604I536-K540 HydrophobicContact CG2-CD 4.08Å; I536-K540 WeakPolarHBondContact O-CB 3.48Å; I536-K540 WeakPolarHBondContact O-CG 3.49Å; I536-K540 PolarHBondContact O-N 3.3Å; G537-K540 PolarHBondContact O-N 3.33Å; Y538-K540 VanDerWaalsContact C-N 3.34Å; Y538-K540 PolarHBondContact O-N 3.33Å; K540-M542 VanDerWaalsContact C-N 3.31Å; K540-M542 PolarHBondContact O-N 3.26Å; K540-L604 HydrophobicContact CD-CD2 4.47Å; K540-L604 HydrophobicContact CG-CD2 3.53Å
541A94.4Very high90Very high33 Ų3333.5 Ų33.527%0.27319%0.191SC..Hα-helixtrans-66.8-32.5179.400000112.5Y395 K398 G537 Y538 L539Y395-A541 HydrophobicContact CE1-CB 4.22Å; Y395-A541 WeakPolarHBondContact OH-CB 3.35Å; K398-A541 WeakPolarHBondContact CD-O 3.36Å; G537-A541 WeakPolarHBondContact O-CB 3.48Å; G537-A541 PolarHBondContact O-N 3.02Å; Y538-A541 WeakPolarHBondContact O-CB 3.33Å; Y538-A541 PolarHBondContact O-N 2.82Å; Y538-A541 VanDerWaalsContact O-N 3.1Å; L539-A541 VanDerWaalsContact C-N 3.31Å; L539-A541 PolarHBondContact O-N 2.87Å
542M98.1Very high91.7Very high0 Ų034.6 Ų34.60%020%0.195CC..Hα-helixtrans-87.6-28.8-177.5-63.6-56.3165.200114.2Q394 Y395 K398 F459 V463 Y538 L539 K540 A544 S545 C546Q394-M542 HydrophobicContact CB-CE 3.93Å; Y395-M542 HydrophobicContact CD1-CE 4.45Å; Y395-M542 HydrophobicContact CD2-CE 3.12Å; Y395-M542 HydrophobicContact CE2-CE 3.36Å; Y395-M542 HydrophobicContact CG-CE 3.74Å; K398-M542 HydrophobicContact CB-CE 4.29Å; K398-M542 HydrophobicContact CB-SD 3.67Å; K398-M542 HydrophobicContact CD-CE 4.28Å; K398-M542 HydrophobicContact CD-SD 3.79Å; K398-M542 HydrophobicContact CG-SD 3.8Å; F459-M542 HydrophobicContact CZ-SD 4.22Å; V463-M542 HydrophobicContact CB-CB 4.45Å; V463-M542 HydrophobicContact CG1-CB 3.54Å; V463-M542 HydrophobicContact CG1-CG 3.98Å; V463-M542 HydrophobicContact CG2-CB 3.97Å; V463-M542 HydrophobicContact CG2-CG 3.99Å; Y538-M542 HydrophobicContact CD2-CE 4.02Å; Y538-M542 HydrophobicContact CD2-CG 4.35Å; Y538-M542 HydrophobicContact CE1-CG 4.18Å; Y538-M542 HydrophobicContact CE2-CE 3.47Å; Y538-M542 VanDerWaalsContact CE2-CE 3.47Å; Y538-M542 HydrophobicContact CE2-CG 3.91Å; Y538-M542 HydrophobicContact CE2-SD 4.49Å; Y538-M542 WeakPolarHBondContact O-CG 2.89Å; Y538-M542 PolarHBondContact O-N 3.01Å; Y538-M542 VanDerWaalsContact O-N 3.1Å; L539-M542 PolarHBondContact O-N 2.89Å; K540-M542 VanDerWaalsContact C-N 3.31Å; K540-M542 PolarHBondContact O-N 3.26Å; M542-A544 VanDerWaalsContact C-N 3.31Å; M542-A544 PolarHBondContact O-N 3.34Å; M542-A544 VanDerWaalsContact O-N 3.15Å; M542-S545 PolarHBondContact O-N 3.03Å; M542-C546 PolarHBondContact O-N 3.21Å
543Y98.6Very high93.3Very high21 Ų2132.8 Ų32.88%0.08219%0.185CC..Hα-helixtrans-54.7-40.6-167.5-173.2-102.1000114.4L539 S545 C546 K547 M597 M600 A601 L604 Q606 D609L539-Y543 WeakPolarHBondContact O-CB 3.43Å; L539-Y543 PolarHBondContact O-N 2.85Å; Y543-S545 PolarHBondContact O-N 2.82Å; Y543-C546 PolarHBondContact O-N 3.08Å; Y543-K547 HydrophobicContact CE1-CD 4.47Å; Y543-K547 WeakPolarHBondContact O-CB 3.03Å; Y543-K547 PolarHBondContact O-N 3.3Å; Y543-M597 HydrophobicContact CD2-CE 4.39Å; Y543-M597 HydrophobicContact CE2-CE 3.83Å; Y543-M600 HydrophobicContact CD2-CB 4Å; Y543-M600 HydrophobicContact CE2-CB 3.99Å; Y543-A601 HydrophobicContact CE2-CB 4.35Å; Y543-A601 WeakPolarHBondContact OH-CB 3.19Å; Y543-L604 HydrophobicContact CD1-CD1 4.27Å; Y543-L604 HydrophobicContact CD2-CD1 3.6Å; Y543-L604 HydrophobicContact CE2-CD1 4.33Å; Y543-L604 HydrophobicContact CG-CD1 3.55Å; Y543-Q606 HydrophobicContact CE1-CG 3.8Å; Y543-D609 VanDerWaalsContact OH-CB 3.29Å; Y543-D609 WeakPolarHBondContact OH-CB 3.43Å; Y543-D609 PolarHBondContact OH-OD2 3.41Å
544A98.3Very high94.3Very high71 Ų7133.2 Ų33.259%0.58719%0.188SC*.Hα-helixtrans-63.4-41.8179.600000112.3M542 K547 A548M542-A544 VanDerWaalsContact C-N 3.31Å; M542-A544 PolarHBondContact O-N 3.34Å; M542-A544 VanDerWaalsContact O-N 3.15Å; A544-K547 PolarHBondContact O-N 3.47Å; A544-A548 WeakPolarHBondContact O-CB 3.14Å; A544-A548 PolarHBondContact O-N 2.73Å
545S98.6Very high95.2Very high19 Ų1935 Ų3513%0.13319%0.193CC..Hα-helixtrans-68.3-42.4175.7-63.10000111.4K398 M542 Y543 K547 A548 I549K398-S545 VanDerWaalsContact CG-OG 3.29Å; K398-S545 WeakPolarHBondContact CG-OG 3.43Å; M542-S545 PolarHBondContact O-N 3.03Å; Y543-S545 PolarHBondContact O-N 2.82Å; S545-K547 VanDerWaalsContact C-N 3.33Å; S545-K547 PolarHBondContact O-N 2.83Å; S545-A548 PolarHBondContact O-N 2.82Å; S545-I549 WeakPolarHBondContact O-CG1 3.35Å; S545-I549 PolarHBondContact O-N 3.2Å; S545-I549 VanDerWaalsContact O-N 3.1Å
546C98.8Very high95.8Very high0 Ų035.5 Ų35.50%019%0.193CC..Hα-helixtrans-56.7-46.3173.3-67.20000111.6V460 M542 Y543 A548 I549 M550 M597 M600V460-C546 HydrophobicContact CG2-CB 4.14Å; M542-C546 PolarHBondContact O-N 3.21Å; Y543-C546 PolarHBondContact O-N 3.08Å; C546-A548 PolarHBondContact O-N 3.18Å; C546-I549 WeakPolarHBondContact O-CG1 3.39Å; C546-M550 WeakPolarHBondContact O-CB 3.25Å; C546-M550 WeakPolarHBondContact O-CG 3.42Å; C546-M550 PolarHBondContact O-N 3.35Å; C546-M597 HydrophobicContact CB-CE 4.27Å; C546-M597 HydrophobicContact CB-SD 3.61Å; C546-M600 HydrophobicContact CB-CE 4.4Å
547K98.6Very high96.4Very high65 Ų6534 Ų3428%0.28319%0.185SC..Hα-helixtrans-61.5-46.2177.5-175.9171.8-174.4161.90111.8Y543 A544 S545 I549 M550 E551 M597 D609Y543-K547 HydrophobicContact CE1-CD 4.47Å; Y543-K547 WeakPolarHBondContact O-CB 3.03Å; Y543-K547 PolarHBondContact O-N 3.3Å; A544-K547 PolarHBondContact O-N 3.47Å; S545-K547 VanDerWaalsContact C-N 3.33Å; S545-K547 PolarHBondContact O-N 2.83Å; K547-I549 PolarHBondContact O-N 2.89Å; K547-M550 PolarHBondContact O-N 2.88Å; K547-E551 WeakPolarHBondContact O-CG 3.44Å; K547-E551 PolarHBondContact O-N 3.49Å; K547-M597 HydrophobicContact CB-CE 4.42Å; K547-D609 WeakPolarHBondContact CE-OD2 3.18Å; K547-D609 IonicContact NZ-OD1 2.88Å; K547-D609 PolarHBondContact NZ-OD1 2.89Å; K547-D609 IonicContact NZ-OD2 3.24Å; K547-D609 PolarHBondContact NZ-OD2 2.84Å
548A98.3Very high96.9Very high27 Ų2740.1 Ų40.122%0.22321%0.205CC..Hα-helixtrans-60.1-43.6-178.400000112.9N424 A544 S545 C546 R552N424-A548 HydrophobicContact CB-CB 4.47Å; A544-A548 WeakPolarHBondContact O-CB 3.14Å; A544-A548 PolarHBondContact O-N 2.73Å; S545-A548 PolarHBondContact O-N 2.82Å; C546-A548 PolarHBondContact O-N 3.18Å; A548-R552 PolarHBondContact O-N 2.93Å
549I97.9Very high97.2Very high0 Ų044.4 Ų44.40%023%0.228CC..Hα-helixtrans-73.3-32.1177.866.6-178.7000112I401 V426 N456 F459 V460 S545 C546 K547 R552 T553I401-I549 HydrophobicContact CB-CG2 4.48Å; I401-I549 HydrophobicContact CD1-CD1 4.39Å; I401-I549 HydrophobicContact CD1-CG2 4.14Å; I401-I549 HydrophobicContact CG1-CG2 4.18Å; I401-I549 HydrophobicContact CG2-CG2 3.45Å; I401-I549 VanDerWaalsContact CG2-CG2 3.45Å; V426-I549 HydrophobicContact CG2-CD1 3.77Å; V426-I549 HydrophobicContact CG2-CG2 4.35Å; N456-I549 HydrophobicContact CB-CB 4.13Å; N456-I549 HydrophobicContact CB-CD1 4.19Å; N456-I549 HydrophobicContact CB-CG1 4.32Å; N456-I549 WeakPolarHBondContact O-CD1 3.49Å; F459-I549 HydrophobicContact CB-CD1 3.93Å; F459-I549 HydrophobicContact CD1-CD1 3.52Å; F459-I549 HydrophobicContact CE1-CD1 4.39Å; F459-I549 HydrophobicContact CG-CD1 4.02Å; V460-I549 HydrophobicContact CG2-CD1 3.96Å; V460-I549 HydrophobicContact CG2-CG1 4.28Å; S545-I549 WeakPolarHBondContact O-CG1 3.35Å; S545-I549 PolarHBondContact O-N 3.2Å; S545-I549 VanDerWaalsContact O-N 3.1Å; C546-I549 WeakPolarHBondContact O-CG1 3.39Å; K547-I549 PolarHBondContact O-N 2.89Å; I549-R552 PolarHBondContact O-N 3.38Å; I549-T553 WeakPolarHBondContact O-CB 3.42Å; I549-T553 PolarHBondContact O-N 3.3Å; I549-T553 PolarHBondContact O-OG1 3.02Å
550M98.4Very high97.4Very high0 Ų050.1 Ų50.10%026%0.258CS..Hα-helixtrans-68.5-40.9176.1-71.9-67.3-68.300111.6V460 C546 K547 R552 T553 I554 W590 A593 L594 M597 Y613V460-M550 HydrophobicContact CG2-CG 3.78Å; V460-M550 HydrophobicContact CG2-SD 3.82Å; C546-M550 WeakPolarHBondContact O-CB 3.25Å; C546-M550 WeakPolarHBondContact O-CG 3.42Å; C546-M550 PolarHBondContact O-N 3.35Å; K547-M550 PolarHBondContact O-N 2.88Å; M550-R552 VanDerWaalsContact C-N 3.29Å; M550-R552 PolarHBondContact O-N 3.05Å; M550-T553 PolarHBondContact O-N 2.92Å; M550-T553 VanDerWaalsContact O-N 3.13Å; M550-I554 VanDerWaalsContact O-CG1 3.3Å; M550-I554 WeakPolarHBondContact O-CG1 3.34Å; M550-I554 PolarHBondContact O-N 3.46Å; M550-W590 HydrophobicContact CE-CE3 4.08Å; M550-W590 HydrophobicContact CE-CH2 3.65Å; M550-W590 HydrophobicContact CE-CZ3 3.25Å; M550-W590 HydrophobicContact SD-CE3 4.49Å; M550-W590 HydrophobicContact SD-CZ3 3.74Å; M550-A593 HydrophobicContact CE-CB 4.29Å; M550-A593 HydrophobicContact SD-CB 4.17Å; M550-L594 HydrophobicContact CE-CD2 3.64Å; M550-L594 HydrophobicContact CE-CG 4.05Å; M550-M597 HydrophobicContact CE-CG 3.92Å; M550-M597 HydrophobicContact CG-CG 3.76Å; M550-M597 HydrophobicContact CG-SD 4.06Å; M550-M597 HydrophobicContact SD-CG 4.26Å; M550-Y613 HydrophobicContact CB-CE1 4.31Å
551E97.4Very high97.6Very high60 Ų6044.8 Ų44.828%0.2824%0.236SC..Hα-helixtrans-59.1-40.9174-68.5-60.4147.300111.8K547 R612K547-E551 WeakPolarHBondContact O-CG 3.44Å; K547-E551 PolarHBondContact O-N 3.49Å; E551-R612 VanDerWaalsContact CD-NH1 3.31Å; E551-R612 IonicContact OE1-CZ 3.02Å; E551-R612 IonicContact OE1-NH1 2.75Å; E551-R612 PolarHBondContact OE1-NH1 3.44Å; E551-R612 IonicContact OE1-NH2 3.64Å; E551-R612 IonicContact OE2-CZ 2.61Å; E551-R612 IonicContact OE2-NH1 2.65Å; E551-R612 PolarHBondContact OE2-NH1 3.31Å; E551-R612 IonicContact OE2-NH2 3.86Å; E551-R612 PolarHBondContact OE2-NH2 3.28Å
552R96.1Very high97.8Very high45 Ų4543.2 Ų43.217%0.1722%0.223CC..Hα-helixtrans-64.8-43.3173.1-176-178178.6126.34.2112K423 N424 N450 D451 A548 I549 M550 I554 E555 Y556K423-R552 PolarHBondContact O-NH1 2.94Å; N424-R552 WeakPolarHBondContact O-CD 3.45Å; N450-R552 PolarHBondContact O-NH2 3.46Å; D451-R552 IonicContact OD1-CZ 3.79Å; D451-R552 IonicContact OD1-NE 3.82Å; D451-R552 IonicContact OD1-NH2 3.1Å; D451-R552 PolarHBondContact OD1-NH2 2.84Å; A548-R552 PolarHBondContact O-N 2.93Å; I549-R552 PolarHBondContact O-N 3.38Å; M550-R552 VanDerWaalsContact C-N 3.29Å; M550-R552 PolarHBondContact O-N 3.05Å; R552-I554 VanDerWaalsContact C-N 3.31Å; R552-I554 PolarHBondContact O-N 3.12Å; R552-E555 WeakPolarHBondContact O-CB 3.38Å; R552-E555 PolarHBondContact O-N 2.65Å; R552-E555 VanDerWaalsContact O-N 3.12Å; R552-Y556 PolarHBondContact NE-OH 3.47Å
553T97.8Very high97.8Very high1 Ų143.2 Ų43.21%0.00622%0.223CC..Hα-helixtrans-67.2-32.7-176.3-53.10000112N456 T457 I549 M550 E555 Y556 I564 W590N456-T553 VanDerWaalsContact CB-OG1 3.31Å; N456-T553 WeakPolarHBondContact CB-OG1 3.31Å; N456-T553 PolarHBondContact ND2-OG1 3.5Å; T457-T553 HydrophobicContact CG2-CG2 4.31Å; I549-T553 WeakPolarHBondContact O-CB 3.42Å; I549-T553 PolarHBondContact O-N 3.3Å; I549-T553 PolarHBondContact O-OG1 3.02Å; M550-T553 PolarHBondContact O-N 2.92Å; M550-T553 VanDerWaalsContact O-N 3.13Å; T553-E555 PolarHBondContact O-N 3.3Å; T553-Y556 HydrophobicContact CG2-CD2 4.05Å; T553-Y556 HydrophobicContact CG2-CE2 4.47Å; T553-Y556 WeakPolarHBondContact O-CB 3.49Å; T553-Y556 PolarHBondContact O-N 2.93Å; T553-I564 HydrophobicContact CG2-CD1 4.21Å; T553-I564 HydrophobicContact CG2-CG2 4.29Å; T553-W590 HydrophobicContact CG2-CE3 3.61Å; T553-W590 HydrophobicContact CG2-CH2 4.37Å; T553-W590 HydrophobicContact CG2-CZ3 3.47Å; T553-W590 VanDerWaalsContact CG2-CZ3 3.47Å
554I97.8Very high97.8Very high29 Ų2942.2 Ų42.215%0.14922%0.219CC..Hα-helixtrans-57.9-32.8173.1-70168.7000111.4M550 R552 Y556 D557 W590 Y613 I616M550-I554 VanDerWaalsContact O-CG1 3.3Å; M550-I554 WeakPolarHBondContact O-CG1 3.34Å; M550-I554 PolarHBondContact O-N 3.46Å; R552-I554 VanDerWaalsContact C-N 3.31Å; R552-I554 PolarHBondContact O-N 3.12Å; I554-Y556 PolarHBondContact O-N 3.09Å; I554-Y556 VanDerWaalsContact O-N 3.13Å; I554-D557 WeakPolarHBondContact O-CB 3.35Å; I554-D557 PolarHBondContact O-N 3.37Å; I554-W590 HydrophobicContact CG1-CH2 3.6Å; I554-W590 HydrophobicContact CG1-CZ2 4.09Å; I554-Y613 HydrophobicContact CD1-CE1 4.26Å; I554-I616 HydrophobicContact CD1-CD1 3.79Å; I554-I616 HydrophobicContact CG1-CD1 4.16Å
555E97.1Very high97.8Very high136 Ų13640.2 Ų40.264%0.63620%0.198SC*.THydrogen-bonded Turntrans-66.2-13.9178.6-58.3-179.4-173.700113R552 T553 K558R552-E555 WeakPolarHBondContact O-CB 3.38Å; R552-E555 PolarHBondContact O-N 2.65Å; R552-E555 VanDerWaalsContact O-N 3.12Å; T553-E555 PolarHBondContact O-N 3.3Å; E555-K558 WeakPolarHBondContact O-CE 3.39Å; E555-K558 PolarHBondContact O-NZ 3.04Å
556Y97.6Very high97.8Very high21 Ų2139.5 Ų39.58%0.08219%0.193CC..THydrogen-bonded Turntrans-73-30.4175.6-60.6-36.7000112.5D451 K453 R552 T553 I554 K558 E565D451-Y556 WeakPolarHBondContact CA-OH 3.48Å; D451-Y556 HydrophobicContact CB-CE1 4.47Å; D451-Y556 PolarHBondContact OD1-OH 3Å; K453-Y556 HydrophobicContact CD-CD2 3.5Å; K453-Y556 VanDerWaalsContact CD-CD2 3.5Å; K453-Y556 HydrophobicContact CD-CE2 3.94Å; K453-Y556 HydrophobicContact CD-CG 3.86Å; R552-Y556 PolarHBondContact NE-OH 3.47Å; T553-Y556 HydrophobicContact CG2-CD2 4.05Å; T553-Y556 HydrophobicContact CG2-CE2 4.47Å; T553-Y556 WeakPolarHBondContact O-CB 3.49Å; T553-Y556 PolarHBondContact O-N 2.93Å; I554-Y556 PolarHBondContact O-N 3.09Å; I554-Y556 VanDerWaalsContact O-N 3.13Å; Y556-K558 WeakPolarHBondContact O-CD 3.36Å; Y556-K558 WeakPolarHBondContact O-CE 3.25Å; Y556-K558 VanDerWaalsContact O-CG 3.3Å; Y556-K558 WeakPolarHBondContact O-CG 3.45Å; Y556-K558 PolarHBondContact O-N 3.35Å; Y556-K558 VanDerWaalsContact O-N 3.14Å; Y556-E565 VanDerWaalsContact C-OE2 3.31Å
557D97.9Very high97.6Very high25 Ų2543.4 Ų43.413%0.13422%0.216CC..  trans-62104.2171.4-177.2-7.4000110.3I554 D559 N560 D561 G562 L563 E565I554-D557 WeakPolarHBondContact O-CB 3.35Å; I554-D557 PolarHBondContact O-N 3.37Å; D557-D559 PolarHBondContact OD1-N 3Å; D557-N560 WeakPolarHBondContact OD1-CA 3.37Å; D557-N560 PolarHBondContact OD1-N 3.04Å; D557-N560 WeakPolarHBondContact OD2-CA 3.32Å; D557-D561 PolarHBondContact OD1-N 3.04Å; D557-G562 VanDerWaalsContact OD2-CA 3.28Å; D557-G562 WeakPolarHBondContact OD2-CA 3.35Å; D557-G562 PolarHBondContact OD2-N 3.1Å; D557-L563 WeakPolarHBondContact CA-O 3.42Å; D557-L563 VanDerWaalsContact CB-O 3.31Å; D557-L563 WeakPolarHBondContact CB-O 3.25Å; D557-L563 VanDerWaalsContact CG-O 3.25Å; D557-E565 WeakPolarHBondContact CA-OE2 3.49Å
558K96.8Very high97.3Very high156 Ų15646.2 Ų46.268%0.67823%0.229SC*.SBendtrans-94.1-26.5-174.2-58.3-48-177.9-175.10113.4E555 Y556 E565E555-K558 WeakPolarHBondContact O-CE 3.39Å; E555-K558 PolarHBondContact O-NZ 3.04Å; Y556-K558 WeakPolarHBondContact O-CD 3.36Å; Y556-K558 WeakPolarHBondContact O-CE 3.25Å; Y556-K558 VanDerWaalsContact O-CG 3.3Å; Y556-K558 WeakPolarHBondContact O-CG 3.45Å; Y556-K558 PolarHBondContact O-N 3.35Å; Y556-K558 VanDerWaalsContact O-N 3.14Å; K558-E565 WeakPolarHBondContact CA-OE1 3.03Å; K558-E565 WeakPolarHBondContact CB-OE1 3.08Å; K558-E565 VanDerWaalsContact N-CD 3.31Å; K558-E565 PolarHBondContact N-OE1 3.1Å; K558-E565 PolarHBondContact N-OE2 3.21Å
559D96.3Very high97Very high90 Ų9047.9 Ų47.948%0.48123%0.232SC..SBendtrans-103.2-0.2179.873.73.3000113.9D557 D561 E565 K627D557-D559 PolarHBondContact OD1-N 3Å; D559-D561 PolarHBondContact O-N 3.15Å; D559-D561 WeakPolarHBondContact OD1-CB 3.41Å; D559-D561 PolarHBondContact OD1-N 3.23Å; D559-E565 PolarHBondContact N-OE1 3.43Å; D559-K627 IonicContact OD1-NZ 2.59Å; D559-K627 IonicContact OD2-NZ 3.88Å; D559-K627 PolarHBondContact OD2-NZ 3.3Å
560N96.9Very high96.8Very high120 Ų12048 Ų4864%0.64223%0.234SC*.SBendtrans58.635.5178.3-175.275000112.2D557D557-N560 WeakPolarHBondContact OD1-CA 3.37Å; D557-N560 PolarHBondContact OD1-N 3.04Å; D557-N560 WeakPolarHBondContact OD2-CA 3.32Å
561D97.9Very high96.7Very high21 Ų2148.3 Ų48.311%0.11224%0.235CC..SBendtrans-89.6-3.5175.284.6-19.9000113.1D557 D559 L563 K619 G620 S623 K627D557-D561 PolarHBondContact OD1-N 3.04Å; D559-D561 PolarHBondContact O-N 3.15Å; D559-D561 WeakPolarHBondContact OD1-CB 3.41Å; D559-D561 PolarHBondContact OD1-N 3.23Å; D561-L563 WeakPolarHBondContact OD1-CA 3.49Å; D561-L563 VanDerWaalsContact OD1-CB 3.32Å; D561-L563 WeakPolarHBondContact OD1-CB 3.29Å; D561-L563 PolarHBondContact OD1-N 3.43Å; D561-K619 CarbonylContact O-C 3.52Å; D561-K619 VanDerWaalsContact O-C 3.32Å; D561-G620 PolarHBondContact O-N 2.99Å; D561-S623 PolarHBondContact O-OG 2.93Å; D561-S623 VanDerWaalsContact OD2-CB 3.26Å; D561-S623 WeakPolarHBondContact OD2-CB 3.46Å; D561-S623 PolarHBondContact OD2-OG 3.06Å; D561-K627 WeakPolarHBondContact OD2-CE 3.23Å; D561-K627 IonicContact OD2-NZ 2.71Å; D561-K627 PolarHBondContact OD2-NZ 3.02Å
562G98.3Very high96.7Very high1 Ų145.5 Ų45.51%0.0122%0.222CC..SBendtrans90.22.9-178.300000115.1D557 W590D557-G562 VanDerWaalsContact OD2-CA 3.28Å; D557-G562 WeakPolarHBondContact OD2-CA 3.35Å; D557-G562 PolarHBondContact OD2-N 3.1Å; G562-W590 PolarHBondContact O-NE1 3.47Å
563L98.6Very high96.8Very high0 Ų043.6 Ų43.60%022%0.215CC..  trans-110148.2173.7-58.4-175.7000110.9D557 D561 P582 L591 G620 L624 K627D557-L563 WeakPolarHBondContact CA-O 3.42Å; D557-L563 VanDerWaalsContact CB-O 3.31Å; D557-L563 WeakPolarHBondContact CB-O 3.25Å; D557-L563 VanDerWaalsContact CG-O 3.25Å; D561-L563 WeakPolarHBondContact OD1-CA 3.49Å; D561-L563 VanDerWaalsContact OD1-CB 3.32Å; D561-L563 WeakPolarHBondContact OD1-CB 3.29Å; D561-L563 PolarHBondContact OD1-N 3.43Å; L563-P582 HydrophobicContact CB-CB 4.16Å; L563-P582 HydrophobicContact CB-CG 4.08Å; L563-P582 HydrophobicContact CD1-CB 3.78Å; L563-P582 HydrophobicContact CD1-CG 4.14Å; L563-L591 HydrophobicContact CD2-CD1 4.01Å; L563-L591 HydrophobicContact CD2-CD2 4.04Å; L563-L591 HydrophobicContact CD2-CG 4.18Å; L563-G620 WeakPolarHBondContact CD2-O 3.11Å; L563-L624 HydrophobicContact CD2-CB 4.46Å; L563-K627 HydrophobicContact CD1-CD 4.47Å
564I98.4Very high96.8Very high0 Ų043.6 Ų43.60%022%0.215CC..PPolyproline II helixtrans-91.3145.2172.163.2176.2000110.9K453 T553 W590K453-I564 HydrophobicContact CB-CD1 4.09Å; T553-I564 HydrophobicContact CG2-CD1 4.21Å; T553-I564 HydrophobicContact CG2-CG2 4.29Å; I564-W590 HydrophobicContact CD1-CB 3.87Å; I564-W590 HydrophobicContact CD1-CD2 4.49Å; I564-W590 HydrophobicContact CD1-CG 4.19Å; I564-W590 HydrophobicContact CG1-CB 3.99Å; I564-W590 HydrophobicContact CG1-CG 4.08Å; I564-W590 HydrophobicContact CG2-CD2 3.83Å; I564-W590 HydrophobicContact CG2-CE3 4.29Å; I564-W590 HydrophobicContact CG2-CG 4.04Å; I564-W590 HydrophobicContact CG2-CZ2 4.38Å
565E98.3Very high96.7Very high28 Ų2843.9 Ų43.913%0.13122%0.217CC..PPolyproline II helixtrans-101.7128.7-177.1-62.289.8144.400111.9K453 Y556 D557 K558 D559 P582K453-E565 WeakPolarHBondContact CE-O 2.99Å; Y556-E565 VanDerWaalsContact C-OE2 3.31Å; D557-E565 WeakPolarHBondContact CA-OE2 3.49Å; K558-E565 WeakPolarHBondContact CA-OE1 3.03Å; K558-E565 WeakPolarHBondContact CB-OE1 3.08Å; K558-E565 VanDerWaalsContact N-CD 3.31Å; K558-E565 PolarHBondContact N-OE1 3.1Å; K558-E565 PolarHBondContact N-OE2 3.21Å; D559-E565 PolarHBondContact N-OE1 3.43Å; E565-P582 HydrophobicContact CG-CG 4.3Å
566N98.1Very high96.6Very high5 Ų539 Ų393%0.02720%0.198CC..EExtended strand (participates in β ladder)trans-70.4149.3163.8-64.797.2000110.5K568 D571 M579 G581 S583 C586N566-K568 PolarHBondContact O-N 2.99Å; N566-D571 PolarHBondContact ND2-OD1 3.23Å; N566-M579 HydrophobicContact CB-CB 3.55Å; N566-M579 WeakPolarHBondContact CB-O 3.26Å; N566-G581 WeakPolarHBondContact CB-O 3.44Å; N566-G581 PolarHBondContact N-O 3.39Å; N566-G581 PolarHBondContact O-N 3.49Å; N566-G581 VanDerWaalsContact O-N 3.16Å; N566-G581 PolarHBondContact OD1-O 3.23Å; N566-S583 WeakPolarHBondContact OD1-CB 3.27Å; N566-S583 PolarHBondContact OD1-OG 3.11Å; N566-C586 PolarHBondContact ND2-SG 3.47Å; N566-C586 VanDerWaalsContact ND2-SG 3.35Å
567T94.6Very high96.6Very high81 Ų8138.1 Ų38.150%0.49719%0.194SC..EExtended strand (participates in β ladder)trans-96.717.6-163.254.80000115.1M569 D571T567-M569 PolarHBondContact O-N 2.74Å; T567-D571 PolarHBondContact N-OD2 3.34Å; T567-D571 PolarHBondContact OG1-OD2 2.82Å
568K92.7Very high96.5Very high125 Ų12538.7 Ų38.754%0.54320%0.199SC..SBendtrans57.128-172.5-156.6-169.5-167.2101.50112.6N566 V578 M579 D580N566-K568 PolarHBondContact O-N 2.99Å; K568-V578 HydrophobicContact CG-CG1 4.27Å; K568-V578 WeakPolarHBondContact O-CG1 3.41Å; K568-M579 VanDerWaalsContact CA-O 3.28Å; K568-M579 WeakPolarHBondContact CA-O 3.36Å; K568-M579 PolarHBondContact N-O 3.22Å; K568-D580 HydrophobicContact CB-CB 4.4Å; K568-D580 HydrophobicContact CG-CB 4.23Å; K568-D580 IonicContact NZ-OD2 3.73Å; K568-D580 PolarHBondContact NZ-OD2 3.29Å
569M92.5Very high96.5Very high61 Ų6131.2 Ų31.230%0.317%0.166SC..SBendtrans-136.4157.6173.3-64.5-68.9-70.900106.9Y413 T567 D571Y413-M569 HydrophobicContact CD1-CE 3.78Å; Y413-M569 HydrophobicContact CE1-CE 3.42Å; Y413-M569 VanDerWaalsContact CE1-CE 3.42Å; Y413-M569 HydrophobicContact CE1-SD 4.33Å; T567-M569 PolarHBondContact O-N 2.74Å; M569-D571 PolarHBondContact O-N 3.01Å
570P92.6Very high96.5Very high4 Ų429.3 Ų29.33%0.02616%0.156CC..  trans-67.1106.4172.8-17.632.4000110.2Y413 D575 V578Y413-P570 HydrophobicContact CE2-CG 4.44Å; P570-D575 VanDerWaalsContact CB-C 3.42Å; P570-D575 WeakPolarHBondContact CB-O 3.37Å; P570-D575 WeakPolarHBondContact CG-O 3.37Å; P570-V578 HydrophobicContact CG-CG2 3.95Å
571D97Very high96.5Very high6 Ų624.1 Ų24.13%0.03213%0.131CC..  trans-129.134.8-176.562.71.4000112.2W452 K453 N566 T567 M569W452-D571 CarbonylContact C-O 3.48Å; W452-D571 WeakPolarHBondContact CA-O 3.42Å; W452-D571 WeakPolarHBondContact CB-O 3.31Å; W452-D571 VanDerWaalsContact CD1-CA 3.47Å; K453-D571 PolarHBondContact N-O 3.38Å; K453-D571 IonicContact NZ-OD2 3Å; K453-D571 PolarHBondContact NZ-OD2 2.76Å; N566-D571 PolarHBondContact ND2-OD1 3.23Å; T567-D571 PolarHBondContact N-OD2 3.34Å; T567-D571 PolarHBondContact OG1-OD2 2.82Å; M569-D571 PolarHBondContact O-N 3.01Å
572Q98.1Very high96.5Very high0 Ų023.3 Ų23.30%013%0.127CC..SBendtrans-165.4174.8179.346.167.836.200111D454 Y574 D575 W577 M579 Y585D454-Q572 HydrophobicContact CB-CB 4.15Å; D454-Q572 WeakPolarHBondContact OD1-CA 3.46Å; Q572-Y574 VanDerWaalsContact C-N 3.27Å; Q572-Y574 PolarHBondContact NE2-O 3.33Å; Q572-Y574 CarbonylContact O-C 3.59Å; Q572-Y574 PolarHBondContact O-N 2.97Å; Q572-Y574 VanDerWaalsContact O-N 3.11Å; Q572-Y574 VanDerWaalsContact OE1-CB 3.27Å; Q572-Y574 VanDerWaalsContact OE1-CD2 3.29Å; Q572-D575 WeakPolarHBondContact O-CA 3.31Å; Q572-D575 PolarHBondContact O-N 3.45Å; Q572-W577 PolarHBondContact NE2-O 3.33Å; Q572-M579 HydrophobicContact CG-CE 4.37Å; Q572-M579 HydrophobicContact CG-SD 3.87Å; Q572-Y585 HydrophobicContact CB-CE1 4.28Å
573T98Very high96.5Very high6 Ų623.3 Ų23.34%0.03713%0.127CC..SBendtrans-50.8-32.1-173.6-159.60000116.4D373 D454 D575 Y585 W722 R780D373-T573 WeakPolarHBondContact OD2-CB 3.33Å; D373-T573 PolarHBondContact OD2-OG1 3.35Å; D454-T573 WeakPolarHBondContact OD2-CB 3.3Å; D454-T573 PolarHBondContact OD2-N 2.97Å; D454-T573 VanDerWaalsContact OD2-N 3.07Å; T573-D575 PolarHBondContact O-N 3.14Å; T573-Y585 HydrophobicContact CG2-CE1 4.23Å; T573-Y585 WeakPolarHBondContact CG2-OH 3.16Å; T573-W722 HydrophobicContact CG2-CZ3 4.31Å; T573-R780 PolarHBondContact OG1-NH1 2.83Å; T573-R780 PolarHBondContact OG1-NH2 3.23Å
574Y97.9Very high96.5Very high0 Ų023.3 Ų23.30%013%0.127CC..SBendtrans-78.369167.5-56.3-96.7000108.2Q572 S576 W577 Y585 M647 D649 N696 Q717 W722 V725Q572-Y574 VanDerWaalsContact C-N 3.27Å; Q572-Y574 PolarHBondContact NE2-O 3.33Å; Q572-Y574 CarbonylContact O-C 3.59Å; Q572-Y574 PolarHBondContact O-N 2.97Å; Q572-Y574 VanDerWaalsContact O-N 3.11Å; Q572-Y574 VanDerWaalsContact OE1-CB 3.27Å; Q572-Y574 VanDerWaalsContact OE1-CD2 3.29Å; Y574-S576 PolarHBondContact O-N 2.92Å; Y574-W577 AromaticContact CD1-CE3 3.96Å; Y574-W577 HydrophobicContact CD1-CE3 3.96Å; Y574-W577 HydrophobicContact CD1-CZ3 4.49Å; Y574-W577 HydrophobicContact CG-CE3 4.31Å; Y574-W577 PolarHBondContact O-N 3.14Å; Y574-Y585 HydrophobicContact CE2-CD2 4.44Å; Y574-Y585 HydrophobicContact CE2-CE1 4.5Å; Y574-Y585 HydrophobicContact CE2-CE2 4.18Å; Y574-M647 HydrophobicContact CD2-CE 3.62Å; Y574-M647 HydrophobicContact CE1-CE 4.15Å; Y574-M647 HydrophobicContact CE2-CE 3.2Å; Y574-M647 HydrophobicContact CG-CE 4.28Å; Y574-D649 VanDerWaalsContact OH-CB 3.22Å; Y574-D649 WeakPolarHBondContact OH-CB 3.43Å; Y574-D649 PolarHBondContact OH-OD2 2.85Å; Y574-N696 HydrophobicContact CE1-CB 4.44Å; Y574-Q717 PolarHBondContact O-OE1 2.77Å; Y574-W722 HydrophobicContact CD1-CE3 4.15Å; Y574-W722 AromaticContact CD1-CH2 3.31Å; Y574-W722 HydrophobicContact CD1-CH2 3.31Å; Y574-W722 AromaticContact CD1-CZ2 3.79Å; Y574-W722 HydrophobicContact CD1-CZ2 3.79Å; Y574-W722 AromaticContact CD1-CZ3 3.5Å; Y574-W722 HydrophobicContact CD1-CZ3 3.5Å; Y574-W722 VanDerWaalsContact CD1-CZ3 3.5Å; Y574-W722 HydrophobicContact CD2-CZ3 4.36Å; Y574-W722 HydrophobicContact CE1-CD2 4.15Å; Y574-W722 AromaticContact CE1-CE3 3.63Å; Y574-W722 HydrophobicContact CE1-CE3 3.63Å; Y574-W722 AromaticContact CE1-CH2 3.7Å; Y574-W722 HydrophobicContact CE1-CH2 3.7Å; Y574-W722 HydrophobicContact CE1-CZ2 4.17Å; Y574-W722 AromaticContact CE1-CZ3 3.38Å; Y574-W722 HydrophobicContact CE1-CZ3 3.38Å; Y574-W722 HydrophobicContact CE2-CZ3 4.25Å; Y574-W722 AromaticContact CG-CH2 3.79Å; Y574-W722 HydrophobicContact CG-CH2 3.79Å; Y574-W722 AromaticContact CG-CZ3 4Å; Y574-W722 HydrophobicContact CG-CZ3 4Å; Y574-W722 AromaticContact CZ-CZ3 3.78Å; Y574-V725 WeakPolarHBondContact OH-CG2 3.24Å
575D95.5Very high96.6Very high35 Ų3523.4 Ų23.419%0.18713%0.127CC..THydrogen-bonded Turntrans-69.50.2-166.676.3-25.2000114.9Y444 H447 W452 P570 Q572 T573 Q717Y444-D575 WeakPolarHBondContact OH-CB 3.37Å; Y444-D575 PolarHBondContact OH-OD2 2.88Å; H447-D575 PolarHBondContact CD2-O 3.45Å; H447-D575 PolarHBondContact NE2-O 2.75Å; W452-D575 HydrophobicContact CH2-CB 3.93Å; W452-D575 HydrophobicContact CZ2-CB 4.03Å; P570-D575 VanDerWaalsContact CB-C 3.42Å; P570-D575 WeakPolarHBondContact CB-O 3.37Å; P570-D575 WeakPolarHBondContact CG-O 3.37Å; Q572-D575 WeakPolarHBondContact O-CA 3.31Å; Q572-D575 PolarHBondContact O-N 3.45Å; T573-D575 PolarHBondContact O-N 3.14Å; D575-Q717 PolarHBondContact OD1-NE2 3.14Å
576S95.4Very high96.6Very high34 Ų3422 Ų2224%0.23812%0.121CC..THydrogen-bonded Turntrans-115.9-15.4163.972.10000113.5Y574 V578 N715 Q717Y574-S576 PolarHBondContact O-N 2.92Å; S576-V578 PolarHBondContact O-N 3.09Å; S576-N715 PolarHBondContact O-ND2 2.87Å; S576-N715 PolarHBondContact OG-OD1 2.85Å; S576-Q717 WeakPolarHBondContact OG-CG 3.26Å; S576-Q717 PolarHBondContact OG-OE1 3.05Å; S576-Q717 VanDerWaalsContact OG-OE1 3.09Å
577W96.6Very high96.6Very high2 Ų221.8 Ų21.81%0.00812%0.12CC..SBendtrans-90.3102.2-177.1-158.75.9000111.5Q572 Y574 F636 T645 M647 N696 N715 Q717 A718Q572-W577 PolarHBondContact NE2-O 3.33Å; Y574-W577 AromaticContact CD1-CE3 3.96Å; Y574-W577 HydrophobicContact CD1-CE3 3.96Å; Y574-W577 HydrophobicContact CD1-CZ3 4.49Å; Y574-W577 HydrophobicContact CG-CE3 4.31Å; Y574-W577 PolarHBondContact O-N 3.14Å; W577-F636 AromaticContact CD1-CZ 3.81Å; W577-F636 AromaticContact CD2-CE2 3.61Å; W577-F636 HydrophobicContact CD2-CE2 3.61Å; W577-F636 AromaticContact CD2-CZ 3.72Å; W577-F636 HydrophobicContact CD2-CZ 3.72Å; W577-F636 AromaticContact CE2-CE2 3.44Å; W577-F636 VanDerWaalsContact CE2-CE2 3.44Å; W577-F636 AromaticContact CE2-CZ 3.58Å; W577-F636 AromaticContact CE3-CE2 3.82Å; W577-F636 HydrophobicContact CE3-CE2 3.82Å; W577-F636 HydrophobicContact CE3-CZ 4.34Å; W577-F636 HydrophobicContact CG-CE2 4.29Å; W577-F636 AromaticContact CG-CZ 3.91Å; W577-F636 HydrophobicContact CG-CZ 3.91Å; W577-F636 AromaticContact CH2-CD2 4Å; W577-F636 HydrophobicContact CH2-CD2 4Å; W577-F636 AromaticContact CH2-CE2 3.75Å; W577-F636 HydrophobicContact CH2-CE2 3.75Å; W577-F636 AromaticContact CZ2-CD2 3.86Å; W577-F636 HydrophobicContact CZ2-CD2 3.86Å; W577-F636 AromaticContact CZ2-CE2 3.56Å; W577-F636 HydrophobicContact CZ2-CE2 3.56Å; W577-F636 HydrophobicContact CZ2-CZ 4.13Å; W577-F636 HydrophobicContact CZ3-CD2 4.47Å; W577-F636 AromaticContact CZ3-CE2 3.87Å; W577-F636 HydrophobicContact CZ3-CE2 3.87Å; W577-F636 AromaticContact NE1-CE2 3.97Å; W577-F636 AromaticContact NE1-CZ 3.62Å; W577-T645 HydrophobicContact CH2-CG2 4.22Å; W577-T645 HydrophobicContact CZ2-CG2 3.75Å; W577-M647 HydrophobicContact CH2-CG 4.19Å; W577-M647 HydrophobicContact CZ3-CE 4.35Å; W577-M647 HydrophobicContact CZ3-CG 4.04Å; W577-N696 HydrophobicContact CZ3-CB 3.99Å; W577-N715 HydrophobicContact CG-CB 4.26Å; W577-Q717 HydrophobicContact CB-CB 4.31Å; W577-Q717 VanDerWaalsContact N-OE1 3.11Å; W577-A718 HydrophobicContact CD2-CB 4.03Å; W577-A718 HydrophobicContact CE3-CB 4.39Å; W577-A718 HydrophobicContact CH2-CB 3.96Å; W577-A718 HydrophobicContact CZ2-CB 3.51Å; W577-A718 HydrophobicContact CZ3-CB 4.37Å
578V96.1Very high96.8Very high37 Ų3718 Ų1822%0.22410%0.096CC..  trans-72.7130.4-172.5177.40000111.9K568 P570 S576 F636 H642K568-V578 HydrophobicContact CG-CG1 4.27Å; K568-V578 WeakPolarHBondContact O-CG1 3.41Å; P570-V578 HydrophobicContact CG-CG2 3.95Å; S576-V578 PolarHBondContact O-N 3.09Å; V578-F636 WeakPolarHBondContact O-CE1 3.42Å; V578-H642 PolarHBondContact O-CE1 2.73Å; V578-H642 VanDerWaalsContact O-CE1 3.29Å
579M97.3Very high97.1Very high0 Ų012 Ų120%07%0.07CC..  trans-108.2142.6170.6-66.3173.2-177.500110.7N566 K568 Q572 S583 Y585 F636 D637 M647N566-M579 HydrophobicContact CB-CB 3.55Å; N566-M579 WeakPolarHBondContact CB-O 3.26Å; K568-M579 VanDerWaalsContact CA-O 3.28Å; K568-M579 WeakPolarHBondContact CA-O 3.36Å; K568-M579 PolarHBondContact N-O 3.22Å; Q572-M579 HydrophobicContact CG-CE 4.37Å; Q572-M579 HydrophobicContact CG-SD 3.87Å; M579-S583 VanDerWaalsContact SD-CB 3.52Å; M579-S583 PolarHBondContact SD-OG 2.92Å; M579-Y585 HydrophobicContact CE-CD1 4.08Å; M579-Y585 HydrophobicContact CE-CG 4.34Å; M579-F636 HydrophobicContact CB-CE1 4.46Å; M579-F636 HydrophobicContact CE-CE2 3.77Å; M579-F636 HydrophobicContact CE-CZ 3.83Å; M579-F636 HydrophobicContact CG-CE1 3.7Å; M579-F636 HydrophobicContact CG-CE2 4.32Å; M579-F636 HydrophobicContact CG-CZ 3.5Å; M579-D637 WeakPolarHBondContact CA-OD2 3.15Å; M579-M647 HydrophobicContact CE-CE 3.9Å; M579-M647 HydrophobicContact CE-SD 4.08Å
580D96.5Very high97.4Very high49 Ų499.1 Ų9.126%0.2626%0.056SC..EExtended strand (participates in β ladder)trans-126.5116.3-179.5-1661.5000111.8K568 D637 L638K568-D580 HydrophobicContact CB-CB 4.4Å; K568-D580 HydrophobicContact CG-CB 4.23Å; K568-D580 IonicContact NZ-OD2 3.73Å; K568-D580 PolarHBondContact NZ-OD2 3.29Å; D580-D637 PolarHBondContact N-OD2 3.02Å; D580-L638 PolarHBondContact O-N 3.34Å
581G97.2Very high97.7Very high12 Ų129 Ų912%0.1246%0.055CC..EExtended strand (participates in β ladder)trans74.8-158.8-173.400000112.7N566 S583N566-G581 WeakPolarHBondContact CB-O 3.44Å; N566-G581 PolarHBondContact N-O 3.39Å; N566-G581 PolarHBondContact O-N 3.49Å; N566-G581 VanDerWaalsContact O-N 3.16Å; N566-G581 PolarHBondContact OD1-O 3.23Å; G581-S583 PolarHBondContact O-N 3.26Å
582P97.8Very high97.8Very high4 Ų48.7 Ų8.73%0.0265%0.053CC..SBendtrans-58.2130.1171.7-2535.6000111.6L563 E565 K627 D637 L638L563-P582 HydrophobicContact CB-CB 4.16Å; L563-P582 HydrophobicContact CB-CG 4.08Å; L563-P582 HydrophobicContact CD1-CB 3.78Å; L563-P582 HydrophobicContact CD1-CG 4.14Å; E565-P582 HydrophobicContact CG-CG 4.3Å; P582-K627 HydrophobicContact CG-CD 4.48Å; P582-D637 WeakPolarHBondContact O-CA 3.41Å; P582-L638 HydrophobicContact CG-CD1 4.27Å
583S98.4Very high97.8Very high0 Ų08.7 Ų8.70%05%0.053CC..  trans-117.6149.5177.663.60000111N566 M579 G581 Y585 C586 S587 F636N566-S583 WeakPolarHBondContact OD1-CB 3.27Å; N566-S583 PolarHBondContact OD1-OG 3.11Å; M579-S583 VanDerWaalsContact SD-CB 3.52Å; M579-S583 PolarHBondContact SD-OG 2.92Å; G581-S583 PolarHBondContact O-N 3.26Å; S583-Y585 PolarHBondContact O-N 2.85Å; S583-C586 WeakPolarHBondContact OG-CB 3.44Å; S583-C586 PolarHBondContact OG-N 3.18Å; S583-S587 PolarHBondContact N-OG 3.41Å; S583-S587 WeakPolarHBondContact O-CB 3.15Å; S583-S587 PolarHBondContact O-N 2.83Å; S583-S587 PolarHBondContact O-OG 3.43Å; S583-F636 CarbonylContact C-O 3.49Å; S583-F636 VanDerWaalsContact CA-O 3.26Å; S583-F636 WeakPolarHBondContact CA-O 3.45Å; S583-F636 WeakPolarHBondContact CB-O 3.31Å
584A98.4Very high97.9Very high1 Ų18.4 Ų8.41%0.0085%0.052CC..Hα-helixtrans-57.3-38.2-179.900000112.3G588 L628 R635 F636 Q650A584-G588 PolarHBondContact O-N 2.79Å; A584-G588 VanDerWaalsContact O-N 3.08Å; A584-L628 HydrophobicContact CB-CD1 4.45Å; A584-R635 VanDerWaalsContact CB-O 3.3Å; A584-R635 WeakPolarHBondContact CB-O 3.38Å; A584-F636 PolarHBondContact N-O 3.36Å; A584-Q650 HydrophobicContact CB-CB 3.8Å
585Y98.8Very high97.9Very high1 Ų19.5 Ų9.50%0.0046%0.057CC..Hα-helixtrans-68.3-61.1179.4178.1-106.4000112.5Y377 D454 K458 Q572 T573 Y574 M579 S583 G588 L589 M647 D649 C652Y377-Y585 WeakPolarHBondContact OH-CE2 3.03Å; Y377-Y585 PolarHBondContact OH-OH 2.89Å; D454-Y585 HydrophobicContact CB-CE1 4.03Å; D454-Y585 PolarHBondContact OD2-OH 3.32Å; K458-Y585 WeakPolarHBondContact CE-OH 3.48Å; K458-Y585 PolarHBondContact NZ-OH 3.02Å; Q572-Y585 HydrophobicContact CB-CE1 4.28Å; T573-Y585 HydrophobicContact CG2-CE1 4.23Å; T573-Y585 WeakPolarHBondContact CG2-OH 3.16Å; Y574-Y585 HydrophobicContact CE2-CD2 4.44Å; Y574-Y585 HydrophobicContact CE2-CE1 4.5Å; Y574-Y585 HydrophobicContact CE2-CE2 4.18Å; M579-Y585 HydrophobicContact CE-CD1 4.08Å; M579-Y585 HydrophobicContact CE-CG 4.34Å; S583-Y585 PolarHBondContact O-N 2.85Å; Y585-G588 PolarHBondContact O-N 3.25Å; Y585-L589 HydrophobicContact CD1-CD1 4.29Å; Y585-L589 HydrophobicContact CD2-CD1 4.37Å; Y585-L589 HydrophobicContact CE1-CD1 3.82Å; Y585-L589 HydrophobicContact CE2-CD1 3.91Å; Y585-L589 WeakPolarHBondContact O-CG 3.48Å; Y585-L589 PolarHBondContact O-N 2.87Å; Y585-L589 VanDerWaalsContact O-N 3.09Å; Y585-M647 HydrophobicContact CD2-CE 4.17Å; Y585-M647 HydrophobicContact CG-CE 4.05Å; Y585-D649 HydrophobicContact CD2-CB 4.43Å; Y585-D649 VanDerWaalsContact CE2-OD2 3.25Å; Y585-D649 WeakPolarHBondContact CE2-OD2 3.41Å; Y585-C652 HydrophobicContact CD2-CB 3.77Å; Y585-C652 HydrophobicContact CE2-CB 3.8Å
586C98.7Very high98.1Very high0 Ų07.8 Ų7.80%05%0.048CC..Hα-helixtrans-70.8-37-176.1-65.50000112.5K453 N566 S583 L589 W590K453-C586 HydrophobicContact CB-CB 4.17Å; N566-C586 PolarHBondContact ND2-SG 3.47Å; N566-C586 VanDerWaalsContact ND2-SG 3.35Å; S583-C586 WeakPolarHBondContact OG-CB 3.44Å; S583-C586 PolarHBondContact OG-N 3.18Å; C586-L589 PolarHBondContact O-N 3.13Å; C586-W590 VanDerWaalsContact O-CB 3.24Å; C586-W590 WeakPolarHBondContact O-CB 3.13Å; C586-W590 PolarHBondContact O-N 3.26Å
587S98.6Very high98.2Very high0 Ų06.2 Ų6.20%04%0.037CC..Hα-helixtrans-65.2-40.4175.1-60.40000111.5S583 W590 L591S583-S587 PolarHBondContact N-OG 3.41Å; S583-S587 WeakPolarHBondContact O-CB 3.15Å; S583-S587 PolarHBondContact O-N 2.83Å; S583-S587 PolarHBondContact O-OG 3.43Å; S587-W590 PolarHBondContact O-N 3.21Å; S587-L591 VanDerWaalsContact O-CG 3.3Å; S587-L591 WeakPolarHBondContact O-CG 3.25Å; S587-L591 PolarHBondContact O-N 3.45Å
588G98.6Very high98.3Very high0 Ų06.3 Ų6.30%04%0.037CC..Hα-helixtrans-60.3-47.3174.500000113A584 Y585 A592 Y667A584-G588 PolarHBondContact O-N 2.79Å; A584-G588 VanDerWaalsContact O-N 3.08Å; Y585-G588 PolarHBondContact O-N 3.25Å; G588-A592 VanDerWaalsContact O-CB 3.28Å; G588-A592 WeakPolarHBondContact O-CB 3.28Å; G588-A592 PolarHBondContact O-N 3.45Å; G588-Y667 WeakPolarHBondContact CA-OH 3.4Å
589L98.9Very high98.4Very high0 Ų05.2 Ų5.20%03%0.033CC..Hα-helixtrans-63.1-40.6175.9-70172.4000112.3F376 D454 K458 L461 Y585 C586 A592 A593 C652F376-L589 HydrophobicContact CE1-CD2 4.09Å; F376-L589 HydrophobicContact CZ-CD2 3.66Å; D454-L589 HydrophobicContact CB-CD1 3.89Å; K458-L589 HydrophobicContact CG-CD1 4.4Å; L461-L589 HydrophobicContact CD1-CD2 3.75Å; Y585-L589 HydrophobicContact CD1-CD1 4.29Å; Y585-L589 HydrophobicContact CD2-CD1 4.37Å; Y585-L589 HydrophobicContact CE1-CD1 3.82Å; Y585-L589 HydrophobicContact CE2-CD1 3.91Å; Y585-L589 WeakPolarHBondContact O-CG 3.48Å; Y585-L589 PolarHBondContact O-N 2.87Å; Y585-L589 VanDerWaalsContact O-N 3.09Å; C586-L589 PolarHBondContact O-N 3.13Å; L589-A592 PolarHBondContact O-N 3.16Å; L589-A593 WeakPolarHBondContact O-CB 3.39Å; L589-A593 PolarHBondContact O-N 2.85Å; L589-C652 HydrophobicContact CD2-CB 4.35Å
590W98.9Very high98.5Very high1 Ų15.2 Ų5.20%0.0043%0.033CC..Hα-helixtrans-60.6-52177.3168.6-118.4000112.7T457 M550 T553 I554 G562 I564 C586 S587 A592 A593 L594 I616T457-W590 HydrophobicContact CG2-CB 4.29Å; T457-W590 HydrophobicContact CG2-CE3 3.87Å; M550-W590 HydrophobicContact CE-CE3 4.08Å; M550-W590 HydrophobicContact CE-CH2 3.65Å; M550-W590 HydrophobicContact CE-CZ3 3.25Å; M550-W590 HydrophobicContact SD-CE3 4.49Å; M550-W590 HydrophobicContact SD-CZ3 3.74Å; T553-W590 HydrophobicContact CG2-CE3 3.61Å; T553-W590 HydrophobicContact CG2-CH2 4.37Å; T553-W590 HydrophobicContact CG2-CZ3 3.47Å; T553-W590 VanDerWaalsContact CG2-CZ3 3.47Å; I554-W590 HydrophobicContact CG1-CH2 3.6Å; I554-W590 HydrophobicContact CG1-CZ2 4.09Å; G562-W590 PolarHBondContact O-NE1 3.47Å; I564-W590 HydrophobicContact CD1-CB 3.87Å; I564-W590 HydrophobicContact CD1-CD2 4.49Å; I564-W590 HydrophobicContact CD1-CG 4.19Å; I564-W590 HydrophobicContact CG1-CB 3.99Å; I564-W590 HydrophobicContact CG1-CG 4.08Å; I564-W590 HydrophobicContact CG2-CD2 3.83Å; I564-W590 HydrophobicContact CG2-CE3 4.29Å; I564-W590 HydrophobicContact CG2-CG 4.04Å; I564-W590 HydrophobicContact CG2-CZ2 4.38Å; C586-W590 VanDerWaalsContact O-CB 3.24Å; C586-W590 WeakPolarHBondContact O-CB 3.13Å; C586-W590 PolarHBondContact O-N 3.26Å; S587-W590 PolarHBondContact O-N 3.21Å; W590-A592 VanDerWaalsContact C-N 3.27Å; W590-A592 PolarHBondContact O-N 2.82Å; W590-A593 PolarHBondContact O-N 2.86Å; W590-A593 VanDerWaalsContact O-N 3.16Å; W590-L594 HydrophobicContact CD2-CD1 4.17Å; W590-L594 HydrophobicContact CD2-CG 4.25Å; W590-L594 HydrophobicContact CE3-CG 4.49Å; W590-L594 HydrophobicContact CH2-CD1 4.38Å; W590-L594 HydrophobicContact CH2-CD2 3.74Å; W590-L594 HydrophobicContact CH2-CG 4.05Å; W590-L594 HydrophobicContact CZ2-CD1 3.65Å; W590-L594 HydrophobicContact CZ2-CD2 3.75Å; W590-L594 HydrophobicContact CZ2-CG 3.82Å; W590-L594 HydrophobicContact CZ3-CD2 4.39Å; W590-L594 HydrophobicContact CZ3-CG 4.39Å; W590-L594 PolarHBondContact O-N 3.37Å; W590-I616 HydrophobicContact CZ2-CG2 4.03Å
591L98.9Very high98.6Very high0 Ų02.9 Ų2.90%02%0.02CC..Hα-helixtrans-64.5-35.1178.6-61.6-180000111.3L563 S587 L594 Q595 L617 K621 L624 I666L563-L591 HydrophobicContact CD2-CD1 4.01Å; L563-L591 HydrophobicContact CD2-CD2 4.04Å; L563-L591 HydrophobicContact CD2-CG 4.18Å; S587-L591 VanDerWaalsContact O-CG 3.3Å; S587-L591 WeakPolarHBondContact O-CG 3.25Å; S587-L591 PolarHBondContact O-N 3.45Å; L591-L594 HydrophobicContact CD2-CD1 4.09Å; L591-L594 PolarHBondContact O-N 3.23Å; L591-Q595 PolarHBondContact O-N 3.38Å; L591-L617 HydrophobicContact CB-CD1 3.83Å; L591-L617 HydrophobicContact CD2-CD1 4.07Å; L591-L617 HydrophobicContact CG-CD1 4.46Å; L591-L617 WeakPolarHBondContact O-CD1 3.38Å; L591-K621 HydrophobicContact CD1-CG 4.42Å; L591-L624 HydrophobicContact CD1-CB 4.1Å; L591-L624 HydrophobicContact CD1-CD1 4.31Å; L591-L624 HydrophobicContact CD1-CD2 3.98Å; L591-L624 HydrophobicContact CD1-CG 4.38Å; L591-I666 HydrophobicContact CB-CD1 3.83Å; L591-I666 HydrophobicContact CB-CG1 3.92Å; L591-I666 HydrophobicContact CB-CG2 3.97Å; L591-I666 HydrophobicContact CD1-CG2 3.67Å; L591-I666 HydrophobicContact CG-CG2 4.48Å
592A98.9Very high98.6Very high0 Ų06.2 Ų6.20%04%0.038CC..Hα-helixtrans-64.8-41.6174.100000111.9L461 G588 L589 W590 Q595 A596 L657 I666L461-A592 HydrophobicContact CD1-CB 4.11Å; L461-A592 HydrophobicContact CD2-CB 3.66Å; L461-A592 HydrophobicContact CG-CB 4.45Å; G588-A592 VanDerWaalsContact O-CB 3.28Å; G588-A592 WeakPolarHBondContact O-CB 3.28Å; G588-A592 PolarHBondContact O-N 3.45Å; L589-A592 PolarHBondContact O-N 3.16Å; W590-A592 VanDerWaalsContact C-N 3.27Å; W590-A592 PolarHBondContact O-N 2.82Å; A592-Q595 PolarHBondContact O-N 3.19Å; A592-A596 WeakPolarHBondContact O-CB 3.31Å; A592-A596 PolarHBondContact O-N 2.94Å; A592-L657 HydrophobicContact CB-CD1 4.09Å; A592-L657 HydrophobicContact CB-CD2 3.96Å; A592-L657 HydrophobicContact CB-CG 3.72Å; A592-I666 HydrophobicContact CB-CD1 3.72Å; A592-I666 VanDerWaalsContact N-CD1 3.31Å
593A98.9Very high98.5Very high0 Ų08.6 Ų8.60%05%0.05CC..Hα-helixtrans-65.9-38.5176.100000111.8T457 V460 L461 M550 L589 W590 A596 M597T457-A593 HydrophobicContact CG2-CB 4.02Å; V460-A593 HydrophobicContact CB-CB 4.06Å; V460-A593 HydrophobicContact CG1-CB 3.94Å; V460-A593 WeakPolarHBondContact CG1-O 3.48Å; L461-A593 HydrophobicContact CG-CB 4.38Å; M550-A593 HydrophobicContact CE-CB 4.29Å; M550-A593 HydrophobicContact SD-CB 4.17Å; L589-A593 WeakPolarHBondContact O-CB 3.39Å; L589-A593 PolarHBondContact O-N 2.85Å; W590-A593 PolarHBondContact O-N 2.86Å; W590-A593 VanDerWaalsContact O-N 3.16Å; A593-A596 PolarHBondContact O-N 3.22Å; A593-M597 WeakPolarHBondContact O-CB 3.15Å; A593-M597 WeakPolarHBondContact O-CG 3.33Å; A593-M597 PolarHBondContact O-N 2.95Å
594L98.9Very high98.4Very high0 Ų09.6 Ų9.60%06%0.055CC..Hα-helixtrans-61.6-43.6172.9-73.7170.6000112.1M550 W590 L591 M597 S598 Y613 I616 L617M550-L594 HydrophobicContact CE-CD2 3.64Å; M550-L594 HydrophobicContact CE-CG 4.05Å; W590-L594 HydrophobicContact CD2-CD1 4.17Å; W590-L594 HydrophobicContact CD2-CG 4.25Å; W590-L594 HydrophobicContact CE3-CG 4.49Å; W590-L594 HydrophobicContact CH2-CD1 4.38Å; W590-L594 HydrophobicContact CH2-CD2 3.74Å; W590-L594 HydrophobicContact CH2-CG 4.05Å; W590-L594 HydrophobicContact CZ2-CD1 3.65Å; W590-L594 HydrophobicContact CZ2-CD2 3.75Å; W590-L594 HydrophobicContact CZ2-CG 3.82Å; W590-L594 HydrophobicContact CZ3-CD2 4.39Å; W590-L594 HydrophobicContact CZ3-CG 4.39Å; W590-L594 PolarHBondContact O-N 3.37Å; L591-L594 HydrophobicContact CD2-CD1 4.09Å; L591-L594 PolarHBondContact O-N 3.23Å; L594-M597 PolarHBondContact O-N 2.72Å; L594-S598 PolarHBondContact O-N 3.21Å; L594-Y613 HydrophobicContact CD2-CD1 3.64Å; L594-Y613 HydrophobicContact CD2-CG 4.24Å; L594-I616 HydrophobicContact CD1-CB 4.08Å; L594-I616 HydrophobicContact CD1-CG2 3.58Å; L594-I616 HydrophobicContact CD2-CB 4.31Å; L594-I616 HydrophobicContact CD2-CG2 4.29Å; L594-L617 HydrophobicContact CB-CB 4.19Å; L594-L617 HydrophobicContact CB-CD1 4.41Å; L594-L617 HydrophobicContact CD1-CB 4.36Å
595Q98.8Very high98.3Very high23 Ų2316.1 Ų16.111%0.1079%0.09CC..Hα-helixtrans-60.7-47.6174.7175.160.514.700111.4L591 A592 M597 S598 A599 L617 L657 F662 E665L591-Q595 PolarHBondContact O-N 3.38Å; A592-Q595 PolarHBondContact O-N 3.19Å; Q595-M597 VanDerWaalsContact C-N 3.35Å; Q595-M597 PolarHBondContact O-N 2.99Å; Q595-S598 PolarHBondContact O-N 3.04Å; Q595-A599 PolarHBondContact O-N 2.89Å; Q595-L617 HydrophobicContact CB-CD2 4.02Å; Q595-L617 VanDerWaalsContact OE1-CD2 3.28Å; Q595-L657 HydrophobicContact CB-CD2 4.26Å; Q595-L657 HydrophobicContact CG-CD2 4.09Å; Q595-F662 HydrophobicContact CG-CD1 4.44Å; Q595-F662 HydrophobicContact CG-CE1 4.33Å; Q595-F662 HydrophobicContact CG-CE2 4.37Å; Q595-F662 HydrophobicContact CG-CZ 4.29Å; Q595-E665 HydrophobicContact CG-CB 3.92Å; Q595-E665 HydrophobicContact CG-CG 3.91Å
596A98.8Very high98.3Very high0 Ų020 Ų200%011%0.108CC..Hα-helixtrans-59.6-44.1175.900000111.7V460 L461 Y464 A592 A593 A599 M600V460-A596 HydrophobicContact CG1-CB 4.08Å; L461-A596 HydrophobicContact CD2-CB 4.33Å; Y464-A596 HydrophobicContact CD2-CB 4.45Å; Y464-A596 HydrophobicContact CG-CB 4.06Å; A592-A596 WeakPolarHBondContact O-CB 3.31Å; A592-A596 PolarHBondContact O-N 2.94Å; A593-A596 PolarHBondContact O-N 3.22Å; A596-A599 PolarHBondContact O-N 3.38Å; A596-M600 VanDerWaalsContact O-CG 3.29Å; A596-M600 WeakPolarHBondContact O-CG 3.49Å; A596-M600 PolarHBondContact O-N 3.25Å
597M98.8Very high98.3Very high0 Ų024 Ų240%014%0.135CC..Hα-helixtrans-62.4-41.9175.6-77.6-57.5-60.500113V460 Y543 C546 K547 M550 A593 L594 Q595 A599 M600 A601 Y613V460-M597 HydrophobicContact CG1-CG 3.71Å; V460-M597 HydrophobicContact CG1-SD 3.88Å; V460-M597 HydrophobicContact CG2-SD 4.32Å; Y543-M597 HydrophobicContact CD2-CE 4.39Å; Y543-M597 HydrophobicContact CE2-CE 3.83Å; C546-M597 HydrophobicContact CB-CE 4.27Å; C546-M597 HydrophobicContact CB-SD 3.61Å; K547-M597 HydrophobicContact CB-CE 4.42Å; M550-M597 HydrophobicContact CE-CG 3.92Å; M550-M597 HydrophobicContact CG-CG 3.76Å; M550-M597 HydrophobicContact CG-SD 4.06Å; M550-M597 HydrophobicContact SD-CG 4.26Å; A593-M597 WeakPolarHBondContact O-CB 3.15Å; A593-M597 WeakPolarHBondContact O-CG 3.33Å; A593-M597 PolarHBondContact O-N 2.95Å; L594-M597 PolarHBondContact O-N 2.72Å; Q595-M597 VanDerWaalsContact C-N 3.35Å; Q595-M597 PolarHBondContact O-N 2.99Å; M597-A599 VanDerWaalsContact C-N 3.32Å; M597-A599 PolarHBondContact O-N 3.41Å; M597-M600 HydrophobicContact CG-CE 4.25Å; M597-M600 PolarHBondContact O-N 3.24Å; M597-M600 HydrophobicContact SD-CE 3.36Å; M597-M600 WeakPolarHBondContact SD-CE 3.47Å; M597-A601 WeakPolarHBondContact O-CB 2.93Å; M597-A601 PolarHBondContact O-N 2.84Å; M597-Y613 HydrophobicContact CB-CD2 3.51Å; M597-Y613 HydrophobicContact CB-CE2 3.74Å; M597-Y613 HydrophobicContact CB-CG 3.94Å; M597-Y613 HydrophobicContact CE-CD2 4.39Å; M597-Y613 HydrophobicContact CE-CE2 3.49Å; M597-Y613 VanDerWaalsContact CE-CE2 3.49Å; M597-Y613 HydrophobicContact CG-CD2 4.42Å; M597-Y613 HydrophobicContact CG-CE2 4.23Å
598S98.8Very high98.2Very high4 Ų430.1 Ų30.13%0.02817%0.167CC..Hα-helixtrans-60.4-43.7175.5175.80000111.4L594 Q595 A601 T602 C610 Q614L594-S598 PolarHBondContact O-N 3.21Å; Q595-S598 PolarHBondContact O-N 3.04Å; S598-A601 PolarHBondContact O-N 3.34Å; S598-T602 PolarHBondContact O-N 3Å; S598-T602 PolarHBondContact O-OG1 2.77Å; S598-C610 PolarHBondContact OG-SG 3.4Å; S598-C610 VanDerWaalsContact OG-SG 3.36Å; S598-Q614 WeakPolarHBondContact OG-CG 3.43Å; S598-Q614 PolarHBondContact OG-NE2 2.83Å
599A98.6Very high98.2Very high15 Ų1530.9 Ų30.912%0.12417%0.171CC..Hα-helixtrans-65.1-45.8176.100000112Y464 Q595 A596 M597 A601 T602 I603 F662Y464-A599 HydrophobicContact CD2-CB 4.41Å; Y464-A599 HydrophobicContact CE2-CB 3.54Å; Q595-A599 PolarHBondContact O-N 2.89Å; A596-A599 PolarHBondContact O-N 3.38Å; M597-A599 VanDerWaalsContact C-N 3.32Å; M597-A599 PolarHBondContact O-N 3.41Å; A599-A601 PolarHBondContact O-N 3.34Å; A599-T602 WeakPolarHBondContact O-CB 3.31Å; A599-T602 PolarHBondContact O-N 3.06Å; A599-I603 WeakPolarHBondContact O-CD1 3.37Å; A599-I603 VanDerWaalsContact O-CG1 3.26Å; A599-I603 WeakPolarHBondContact O-CG1 3.45Å; A599-I603 PolarHBondContact O-N 3.13Å; A599-F662 HydrophobicContact CB-CE1 4.21Å; A599-F662 HydrophobicContact CB-CZ 3.69Å
600M98.6Very high98.2Very high0 Ų031.5 Ų31.50%018%0.176CC..Hα-helixtrans-59.5-45.7175.1-69.9-166.7-85.100112.2V460 V463 Y464 L539 Y543 C546 A596 M597 T602 I603 L604V460-M600 HydrophobicContact CG1-CE 3.69Å; V463-M600 HydrophobicContact CG1-SD 3.92Å; Y464-M600 HydrophobicContact CD2-CG 3.58Å; Y464-M600 HydrophobicContact CD2-SD 4.48Å; Y464-M600 HydrophobicContact CE2-CG 4.25Å; L539-M600 HydrophobicContact CD1-CG 3.7Å; L539-M600 HydrophobicContact CD1-SD 3.39Å; L539-M600 WeakPolarHBondContact CD1-SD 3.45Å; L539-M600 HydrophobicContact CD2-CG 4.24Å; L539-M600 HydrophobicContact CG-CG 4.3Å; L539-M600 HydrophobicContact CG-SD 4.34Å; Y543-M600 HydrophobicContact CD2-CB 4Å; Y543-M600 HydrophobicContact CE2-CB 3.99Å; C546-M600 HydrophobicContact CB-CE 4.4Å; A596-M600 VanDerWaalsContact O-CG 3.29Å; A596-M600 WeakPolarHBondContact O-CG 3.49Å; A596-M600 PolarHBondContact O-N 3.25Å; M597-M600 HydrophobicContact CG-CE 4.25Å; M597-M600 PolarHBondContact O-N 3.24Å; M597-M600 HydrophobicContact SD-CE 3.36Å; M597-M600 WeakPolarHBondContact SD-CE 3.47Å; M600-T602 VanDerWaalsContact C-N 3.26Å; M600-T602 PolarHBondContact O-N 2.87Å; M600-I603 PolarHBondContact O-N 3.48Å; M600-L604 WeakPolarHBondContact O-CB 3.27Å; M600-L604 WeakPolarHBondContact O-CG 3.19Å; M600-L604 PolarHBondContact O-N 3.11Å
601A98.6Very high98.2Very high0 Ų036.9 Ų36.90%020%0.204CC..Hα-helixtrans-60.3-39.2177.900000111.2Y543 M597 S598 A599 L604 D605 Q606 D609 C610Y543-A601 HydrophobicContact CE2-CB 4.35Å; Y543-A601 WeakPolarHBondContact OH-CB 3.19Å; M597-A601 WeakPolarHBondContact O-CB 2.93Å; M597-A601 PolarHBondContact O-N 2.84Å; S598-A601 PolarHBondContact O-N 3.34Å; A599-A601 PolarHBondContact O-N 3.34Å; A601-L604 CarbonylContact O-C 3.45Å; A601-L604 PolarHBondContact O-N 3.34Å; A601-D605 PolarHBondContact O-N 3.11Å; A601-D605 VanDerWaalsContact O-N 3.15Å; A601-Q606 HydrophobicContact CB-CB 4.06Å; A601-Q606 PolarHBondContact O-N 3.09Å; A601-D609 HydrophobicContact CB-CB 4Å; A601-C610 HydrophobicContact CB-CB 3.85Å
602T97.9Very high98.1Very high82 Ų8241.9 Ų41.950%0.50322%0.223SC..Hα-helixtrans-65.5-47174.5-570000111.6S598 A599 M600 L604 D605 C610S598-T602 PolarHBondContact O-N 3Å; S598-T602 PolarHBondContact O-OG1 2.77Å; A599-T602 WeakPolarHBondContact O-CB 3.31Å; A599-T602 PolarHBondContact O-N 3.06Å; M600-T602 VanDerWaalsContact C-N 3.26Å; M600-T602 PolarHBondContact O-N 2.87Å; T602-L604 PolarHBondContact O-N 3.39Å; T602-D605 PolarHBondContact O-N 3.04Å; T602-C610 PolarHBondContact OG1-SG 3.12Å
603I95.4Very high98.1Very high53 Ų5341.9 Ų41.927%0.27222%0.223SC..Hα-helixtrans-61.2-31.7178.8-67.7159.5000111.9Y464 Y467 I536 L539 A599 M600Y464-I603 HydrophobicContact CE2-CD1 4.04Å; Y467-I603 HydrophobicContact CD1-CD1 4.42Å; Y467-I603 HydrophobicContact CE1-CD1 3.61Å; I536-I603 HydrophobicContact CD1-CG2 3.69Å; L539-I603 HydrophobicContact CD2-CB 4.18Å; L539-I603 HydrophobicContact CD2-CD1 4.19Å; L539-I603 HydrophobicContact CD2-CG2 3.75Å; A599-I603 WeakPolarHBondContact O-CD1 3.37Å; A599-I603 VanDerWaalsContact O-CG1 3.26Å; A599-I603 WeakPolarHBondContact O-CG1 3.45Å; A599-I603 PolarHBondContact O-N 3.13Å; M600-I603 PolarHBondContact O-N 3.48Å
604L95.9Very high98.1Very high21 Ų2145.8 Ų45.811%0.1124%0.241CC..THydrogen-bonded Turntrans-102.615.8-176.5-60.5-178.3000113.9L539 K540 Y543 M600 A601 T602 Q606L539-L604 HydrophobicContact CD2-CD1 4.5Å; L539-L604 HydrophobicContact CD2-CD2 4.44Å; L539-L604 HydrophobicContact CD2-CG 4.31Å; L539-L604 HydrophobicContact CG-CD1 4.23Å; K540-L604 HydrophobicContact CD-CD2 4.47Å; K540-L604 HydrophobicContact CG-CD2 3.53Å; Y543-L604 HydrophobicContact CD1-CD1 4.27Å; Y543-L604 HydrophobicContact CD2-CD1 3.6Å; Y543-L604 HydrophobicContact CE2-CD1 4.33Å; Y543-L604 HydrophobicContact CG-CD1 3.55Å; M600-L604 WeakPolarHBondContact O-CB 3.27Å; M600-L604 WeakPolarHBondContact O-CG 3.19Å; M600-L604 PolarHBondContact O-N 3.11Å; A601-L604 CarbonylContact O-C 3.45Å; A601-L604 PolarHBondContact O-N 3.34Å; T602-L604 PolarHBondContact O-N 3.39Å; L604-Q606 VanDerWaalsContact C-N 3.34Å; L604-Q606 HydrophobicContact CB-CG 4.27Å; L604-Q606 PolarHBondContact O-N 2.92Å; L604-Q606 PolarHBondContact O-NE2 3.12Å
605D97.1Very high98.1Very high139 Ų13949.8 Ų49.874%0.74326%0.262SS*.THydrogen-bonded Turntrans53.444.8178-61.5-50.8000113.7A601 T602 P607A601-D605 PolarHBondContact O-N 3.11Å; A601-D605 VanDerWaalsContact O-N 3.15Å; T602-D605 PolarHBondContact O-N 3.04Å; D605-P607 VanDerWaalsContact C-CD 3.41Å; D605-P607 WeakPolarHBondContact O-CD 3.48Å
606Q98.3Very high98.1Very high81 Ų8149.7 Ų49.738%0.37926%0.262SS..  trans-10872.7176.8-56-57.5-47.800111.4Y543 A601 L604 N608 D609 C610Y543-Q606 HydrophobicContact CE1-CG 3.8Å; A601-Q606 HydrophobicContact CB-CB 4.06Å; A601-Q606 PolarHBondContact O-N 3.09Å; L604-Q606 VanDerWaalsContact C-N 3.34Å; L604-Q606 HydrophobicContact CB-CG 4.27Å; L604-Q606 PolarHBondContact O-N 2.92Å; L604-Q606 PolarHBondContact O-NE2 3.12Å; Q606-N608 PolarHBondContact O-N 3.23Å; Q606-D609 HydrophobicContact CB-CB 4.14Å; Q606-D609 PolarHBondContact O-N 2.87Å; Q606-C610 PolarHBondContact O-N 2.99Å; Q606-C610 VanDerWaalsContact O-N 3.08Å
607P97.5Very high98.1Very high86 Ų8649.9 Ų49.956%0.55826%0.263SS*.Hα-helixtrans-64.1-35-16924.3-35.2000114.3D605 C610 L611D605-P607 VanDerWaalsContact C-CD 3.41Å; D605-P607 WeakPolarHBondContact O-CD 3.48Å; P607-C610 PolarHBondContact O-N 2.64Å; P607-L611 WeakPolarHBondContact O-CG 3.42Å; P607-L611 PolarHBondContact O-N 2.78Å
608N98.1Very high98.1Very high128 Ų12854.3 Ų54.368%0.68428%0.284SS*.Hα-helixtrans-66.9-40.7179.2-68.4-22.5000112Q606 R612Q606-N608 PolarHBondContact O-N 3.23Å; N608-R612 WeakPolarHBondContact O-CB 3.46Å; N608-R612 PolarHBondContact O-N 2.95Å; N608-R612 VanDerWaalsContact O-N 3.08Å
609D98.1Very high98.1Very high16 Ų1657.1 Ų57.19%0.08630%0.296CS..Hα-helixtrans-66.6-44.7177.2-67.8-6.5000109.7Y543 K547 A601 Q606 L611 R612 Y613Y543-D609 VanDerWaalsContact OH-CB 3.29Å; Y543-D609 WeakPolarHBondContact OH-CB 3.43Å; Y543-D609 PolarHBondContact OH-OD2 3.41Å; K547-D609 WeakPolarHBondContact CE-OD2 3.18Å; K547-D609 IonicContact NZ-OD1 2.88Å; K547-D609 PolarHBondContact NZ-OD1 2.89Å; K547-D609 IonicContact NZ-OD2 3.24Å; K547-D609 PolarHBondContact NZ-OD2 2.84Å; A601-D609 HydrophobicContact CB-CB 4Å; Q606-D609 HydrophobicContact CB-CB 4.14Å; Q606-D609 PolarHBondContact O-N 2.87Å; D609-L611 PolarHBondContact O-N 3.15Å; D609-R612 PolarHBondContact O-N 3.08Å; D609-Y613 HydrophobicContact CB-CD2 4.29Å; D609-Y613 HydrophobicContact CB-CE2 3.89Å; D609-Y613 WeakPolarHBondContact O-CD2 3.35Å; D609-Y613 PolarHBondContact O-N 3.26Å
610C98.2Very high98.1Very high13 Ų1356.4 Ų56.49%0.08829%0.29CS..Hα-helixtrans-55.6-51.9176.8-178.40000112.1S598 A601 T602 Q606 P607 R612 Y613 Q614S598-C610 PolarHBondContact OG-SG 3.4Å; S598-C610 VanDerWaalsContact OG-SG 3.36Å; A601-C610 HydrophobicContact CB-CB 3.85Å; T602-C610 PolarHBondContact OG1-SG 3.12Å; Q606-C610 PolarHBondContact O-N 2.99Å; Q606-C610 VanDerWaalsContact O-N 3.08Å; P607-C610 PolarHBondContact O-N 2.64Å; C610-R612 VanDerWaalsContact C-N 3.34Å; C610-R612 PolarHBondContact O-N 3.31Å; C610-Y613 PolarHBondContact O-N 3.04Å; C610-Q614 WeakPolarHBondContact O-CB 3.44Å; C610-Q614 VanDerWaalsContact O-CG 3.31Å; C610-Q614 WeakPolarHBondContact O-CG 3.28Å; C610-Q614 PolarHBondContact O-N 2.86Å; C610-Q614 PolarHBondContact SG-NE2 2.85Å
611L98.4Very high98.1Very high113 Ų11358.6 Ų58.659%0.59230%0.299SS*.Hα-helixtrans-61.4-41.2178.8-72.2172.3000112.4P607 D609 D615P607-L611 WeakPolarHBondContact O-CG 3.42Å; P607-L611 PolarHBondContact O-N 2.78Å; D609-L611 PolarHBondContact O-N 3.15Å; L611-D615 PolarHBondContact O-N 2.89Å
612R98.4Very high98.1Very high106 Ų10665.8 Ų65.840%0.433%0.326SS..Hα-helixtrans-63.4-48.6178.9-179176.7177.5-176-7.2111.5E551 N608 D609 C610 Q614 D615 I616E551-R612 VanDerWaalsContact CD-NH1 3.31Å; E551-R612 IonicContact OE1-CZ 3.02Å; E551-R612 IonicContact OE1-NH1 2.75Å; E551-R612 PolarHBondContact OE1-NH1 3.44Å; E551-R612 IonicContact OE1-NH2 3.64Å; E551-R612 IonicContact OE2-CZ 2.61Å; E551-R612 IonicContact OE2-NH1 2.65Å; E551-R612 PolarHBondContact OE2-NH1 3.31Å; E551-R612 IonicContact OE2-NH2 3.86Å; E551-R612 PolarHBondContact OE2-NH2 3.28Å; N608-R612 WeakPolarHBondContact O-CB 3.46Å; N608-R612 PolarHBondContact O-N 2.95Å; N608-R612 VanDerWaalsContact O-N 3.08Å; D609-R612 PolarHBondContact O-N 3.08Å; C610-R612 VanDerWaalsContact C-N 3.34Å; C610-R612 PolarHBondContact O-N 3.31Å; R612-Q614 VanDerWaalsContact C-N 3.34Å; R612-Q614 PolarHBondContact O-N 3Å; R612-D615 PolarHBondContact O-N 2.76Å; R612-I616 HydrophobicContact CG-CD1 4.2Å; R612-I616 WeakPolarHBondContact O-CG1 3.33Å; R612-I616 PolarHBondContact O-N 3.01Å
613Y98.7Very high98.1Very high0 Ų062.5 Ų62.50%031%0.307CS..Hα-helixtrans-68-35-178.9-61.8-47.8000112.1M550 I554 L594 M597 D609 C610 I616 L617M550-Y613 HydrophobicContact CB-CE1 4.31Å; I554-Y613 HydrophobicContact CD1-CE1 4.26Å; L594-Y613 HydrophobicContact CD2-CD1 3.64Å; L594-Y613 HydrophobicContact CD2-CG 4.24Å; M597-Y613 HydrophobicContact CB-CD2 3.51Å; M597-Y613 HydrophobicContact CB-CE2 3.74Å; M597-Y613 HydrophobicContact CB-CG 3.94Å; M597-Y613 HydrophobicContact CE-CD2 4.39Å; M597-Y613 HydrophobicContact CE-CE2 3.49Å; M597-Y613 VanDerWaalsContact CE-CE2 3.49Å; M597-Y613 HydrophobicContact CG-CD2 4.42Å; M597-Y613 HydrophobicContact CG-CE2 4.23Å; D609-Y613 HydrophobicContact CB-CD2 4.29Å; D609-Y613 HydrophobicContact CB-CE2 3.89Å; D609-Y613 WeakPolarHBondContact O-CD2 3.35Å; D609-Y613 PolarHBondContact O-N 3.26Å; C610-Y613 PolarHBondContact O-N 3.04Å; Y613-I616 PolarHBondContact O-N 2.91Å; Y613-L617 VanDerWaalsContact O-CB 3.23Å; Y613-L617 WeakPolarHBondContact O-CB 3.36Å; Y613-L617 PolarHBondContact O-N 3.07Å
614Q98.5Very high98.2Very high82 Ų8260 Ų6038%0.38329%0.294SS..Hα-helixtrans-64.7-42.2173.2-74.1177.7-10.700112.7S598 C610 R612 I616 L617 E618S598-Q614 WeakPolarHBondContact OG-CG 3.43Å; S598-Q614 PolarHBondContact OG-NE2 2.83Å; C610-Q614 WeakPolarHBondContact O-CB 3.44Å; C610-Q614 VanDerWaalsContact O-CG 3.31Å; C610-Q614 WeakPolarHBondContact O-CG 3.28Å; C610-Q614 PolarHBondContact O-N 2.86Å; C610-Q614 PolarHBondContact SG-NE2 2.85Å; R612-Q614 VanDerWaalsContact C-N 3.34Å; R612-Q614 PolarHBondContact O-N 3Å; Q614-I616 VanDerWaalsContact C-N 3.35Å; Q614-I616 PolarHBondContact O-N 2.86Å; Q614-L617 PolarHBondContact O-N 2.88Å; Q614-E618 WeakPolarHBondContact O-CG 3.41Å; Q614-E618 PolarHBondContact O-N 2.95Å
615D98.5Very high98.3Very high84 Ų8461.2 Ų61.245%0.44930%0.299SS..Hα-helixtrans-62-42.1177.7179.565.1000112.1L611 R612 K619L611-D615 PolarHBondContact O-N 2.89Å; R612-D615 PolarHBondContact O-N 2.76Å; D615-K619 WeakPolarHBondContact O-CG 3.22Å; D615-K619 PolarHBondContact O-N 3.01Å; D615-K619 IonicContact OD1-NZ 3.69Å; D615-K619 WeakPolarHBondContact OD2-CE 3.4Å; D615-K619 IonicContact OD2-NZ 2.71Å; D615-K619 PolarHBondContact OD2-NZ 3.13Å
616I98.7Very high98.4Very high21 Ų2162.1 Ų62.111%0.10830%0.299CS..Hα-helixtrans-67-44.4175.7-58.7168.2000110.3I554 W590 L594 R612 Y613 Q614 E618 K619 G620I554-I616 HydrophobicContact CD1-CD1 3.79Å; I554-I616 HydrophobicContact CG1-CD1 4.16Å; W590-I616 HydrophobicContact CZ2-CG2 4.03Å; L594-I616 HydrophobicContact CD1-CB 4.08Å; L594-I616 HydrophobicContact CD1-CG2 3.58Å; L594-I616 HydrophobicContact CD2-CB 4.31Å; L594-I616 HydrophobicContact CD2-CG2 4.29Å; R612-I616 HydrophobicContact CG-CD1 4.2Å; R612-I616 WeakPolarHBondContact O-CG1 3.33Å; R612-I616 PolarHBondContact O-N 3.01Å; Y613-I616 PolarHBondContact O-N 2.91Å; Q614-I616 VanDerWaalsContact C-N 3.35Å; Q614-I616 PolarHBondContact O-N 2.86Å; I616-E618 PolarHBondContact O-N 3.25Å; I616-K619 PolarHBondContact O-N 3.27Å; I616-G620 PolarHBondContact O-N 3.04Å
617L98.8Very high98.4Very high3 Ų361.1 Ų61.12%0.01629%0.293CS..Hα-helixtrans-58.1-46.5179.2176.459.4000111.8L591 L594 Q595 Y613 Q614 K619 G620 K621L591-L617 HydrophobicContact CB-CD1 3.83Å; L591-L617 HydrophobicContact CD2-CD1 4.07Å; L591-L617 HydrophobicContact CG-CD1 4.46Å; L591-L617 WeakPolarHBondContact O-CD1 3.38Å; L594-L617 HydrophobicContact CB-CB 4.19Å; L594-L617 HydrophobicContact CB-CD1 4.41Å; L594-L617 HydrophobicContact CD1-CB 4.36Å; Q595-L617 HydrophobicContact CB-CD2 4.02Å; Q595-L617 VanDerWaalsContact OE1-CD2 3.28Å; Y613-L617 VanDerWaalsContact O-CB 3.23Å; Y613-L617 WeakPolarHBondContact O-CB 3.36Å; Y613-L617 PolarHBondContact O-N 3.07Å; Q614-L617 PolarHBondContact O-N 2.88Å; L617-K619 VanDerWaalsContact C-N 3.35Å; L617-K619 PolarHBondContact O-N 3.14Å; L617-G620 PolarHBondContact O-N 3.45Å; L617-K621 HydrophobicContact CD1-CD 3.88Å; L617-K621 HydrophobicContact CD1-CG 4.03Å; L617-K621 HydrophobicContact CG-CD 3.85Å; L617-K621 HydrophobicContact CG-CG 4.44Å; L617-K621 WeakPolarHBondContact O-CB 3.18Å; L617-K621 VanDerWaalsContact O-CG 3.25Å; L617-K621 WeakPolarHBondContact O-CG 3.44Å; L617-K621 PolarHBondContact O-N 3.15Å
618E98.5Very high98.4Very high93 Ų9357 Ų5744%0.43527%0.267SS..Hα-helixtrans-69.3-30.5-179.3-70.8-58.9129.400113.1Q614 I616 K621 R622Q614-E618 WeakPolarHBondContact O-CG 3.41Å; Q614-E618 PolarHBondContact O-N 2.95Å; I616-E618 PolarHBondContact O-N 3.25Å; E618-K621 IonicContact OE1-NZ 3.62Å; E618-K621 PolarHBondContact OE1-NZ 3.49Å; E618-K621 IonicContact OE2-NZ 3.17Å; E618-R622 PolarHBondContact O-NE 2.79Å
619K98.6Very high98.3Very high64 Ų6453.5 Ų53.528%0.27824%0.244SC..Hα-helixtrans-66.9-53.6168.7-71.5167.5-178162.30110.6D561 D615 I616 L617 K621 R622 S623D561-K619 CarbonylContact O-C 3.52Å; D561-K619 VanDerWaalsContact O-C 3.32Å; D615-K619 WeakPolarHBondContact O-CG 3.22Å; D615-K619 PolarHBondContact O-N 3.01Å; D615-K619 IonicContact OD1-NZ 3.69Å; D615-K619 WeakPolarHBondContact OD2-CE 3.4Å; D615-K619 IonicContact OD2-NZ 2.71Å; D615-K619 PolarHBondContact OD2-NZ 3.13Å; I616-K619 PolarHBondContact O-N 3.27Å; L617-K619 VanDerWaalsContact C-N 3.35Å; L617-K619 PolarHBondContact O-N 3.14Å; K619-K621 VanDerWaalsContact C-N 3.33Å; K619-K621 PolarHBondContact O-N 3.19Å; K619-R622 WeakPolarHBondContact O-CB 3.39Å; K619-R622 PolarHBondContact O-N 3.33Å; K619-R622 VanDerWaalsContact O-N 3.08Å; K619-S623 PolarHBondContact O-N 2.95Å; K619-S623 PolarHBondContact O-OG 3.18Å
620G98.7Very high98.2Very high0 Ų055.8 Ų55.80%026%0.256CS..Hα-helixtrans-62.3-35.7-17700000113.6D561 L563 I616 L617 R622 S623 L624D561-G620 PolarHBondContact O-N 2.99Å; L563-G620 WeakPolarHBondContact CD2-O 3.11Å; I616-G620 PolarHBondContact O-N 3.04Å; L617-G620 PolarHBondContact O-N 3.45Å; G620-R622 VanDerWaalsContact C-N 3.35Å; G620-R622 PolarHBondContact O-N 2.73Å; G620-S623 PolarHBondContact O-N 2.95Å; G620-L624 VanDerWaalsContact O-CB 3.26Å; G620-L624 WeakPolarHBondContact O-CB 3.43Å; G620-L624 PolarHBondContact O-N 3.36Å
621K98.6Very high98Very high45 Ų4557.7 Ų57.720%0.19628%0.278CS..Hα-helixtrans-58.6-43.7172.8-77.7165.562.3175.90112.5L591 L617 E618 K619 E625 E665 I666L591-K621 HydrophobicContact CD1-CG 4.42Å; L617-K621 HydrophobicContact CD1-CD 3.88Å; L617-K621 HydrophobicContact CD1-CG 4.03Å; L617-K621 HydrophobicContact CG-CD 3.85Å; L617-K621 HydrophobicContact CG-CG 4.44Å; L617-K621 WeakPolarHBondContact O-CB 3.18Å; L617-K621 VanDerWaalsContact O-CG 3.25Å; L617-K621 WeakPolarHBondContact O-CG 3.44Å; L617-K621 PolarHBondContact O-N 3.15Å; E618-K621 IonicContact OE1-NZ 3.62Å; E618-K621 PolarHBondContact OE1-NZ 3.49Å; E618-K621 IonicContact OE2-NZ 3.17Å; K619-K621 VanDerWaalsContact C-N 3.33Å; K619-K621 PolarHBondContact O-N 3.19Å; K621-E625 WeakPolarHBondContact O-CG 3.26Å; K621-E625 PolarHBondContact O-N 3.47Å; K621-E665 WeakPolarHBondContact CD-O 3.36Å; K621-E665 WeakPolarHBondContact CE-O 3.39Å; K621-E665 PolarHBondContact NZ-O 3.29Å; K621-I666 HydrophobicContact CG-CG2 4.46Å
622R98.4Very high97.8Very high151 Ų15153.2 Ų53.257%0.5726%0.256SS*.Hα-helixtrans-66.1-47.1176-69.2-178.5-68.6-160.4-1.3110.7E618 K619 G620 L624 E625 E626E618-R622 PolarHBondContact O-NE 2.79Å; K619-R622 WeakPolarHBondContact O-CB 3.39Å; K619-R622 PolarHBondContact O-N 3.33Å; K619-R622 VanDerWaalsContact O-N 3.08Å; G620-R622 VanDerWaalsContact C-N 3.35Å; G620-R622 PolarHBondContact O-N 2.73Å; R622-L624 VanDerWaalsContact C-N 3.31Å; R622-L624 PolarHBondContact O-N 2.81Å; R622-E625 PolarHBondContact O-N 3.18Å; R622-E626 WeakPolarHBondContact O-CB 3.49Å; R622-E626 WeakPolarHBondContact O-CG 3.32Å; R622-E626 PolarHBondContact O-N 2.71Å
623S98.6Very high97.8Very high13 Ų1348.4 Ų48.49%0.09124%0.237CC..Hα-helixtrans-62.1-37.2179.3-56.40000112.7D561 K619 G620 E626 K627D561-S623 PolarHBondContact O-OG 2.93Å; D561-S623 VanDerWaalsContact OD2-CB 3.26Å; D561-S623 WeakPolarHBondContact OD2-CB 3.46Å; D561-S623 PolarHBondContact OD2-OG 3.06Å; K619-S623 PolarHBondContact O-N 2.95Å; K619-S623 PolarHBondContact O-OG 3.18Å; G620-S623 PolarHBondContact O-N 2.95Å; S623-E626 PolarHBondContact O-N 2.93Å; S623-K627 WeakPolarHBondContact O-CB 3.2Å; S623-K627 VanDerWaalsContact O-CG 3.31Å; S623-K627 WeakPolarHBondContact O-CG 3.34Å; S623-K627 PolarHBondContact O-N 2.89Å
624L98.5Very high97.7Very high1 Ų148.4 Ų48.41%0.00524%0.237CC..Hα-helixtrans-61.1-48.6176.4-172.784.9000111L563 L591 G620 R622 L628 W629 Y634 I666 Y667L563-L624 HydrophobicContact CD2-CB 4.46Å; L591-L624 HydrophobicContact CD1-CB 4.1Å; L591-L624 HydrophobicContact CD1-CD1 4.31Å; L591-L624 HydrophobicContact CD1-CD2 3.98Å; L591-L624 HydrophobicContact CD1-CG 4.38Å; G620-L624 VanDerWaalsContact O-CB 3.26Å; G620-L624 WeakPolarHBondContact O-CB 3.43Å; G620-L624 PolarHBondContact O-N 3.36Å; R622-L624 VanDerWaalsContact C-N 3.31Å; R622-L624 PolarHBondContact O-N 2.81Å; L624-L628 HydrophobicContact CD1-CD1 3.8Å; L624-L628 WeakPolarHBondContact O-CA 3.09Å; L624-L628 WeakPolarHBondContact O-CB 3.26Å; L624-L628 PolarHBondContact O-N 3.29Å; L624-W629 PolarHBondContact O-N 2.76Å; L624-Y634 HydrophobicContact CD2-CE1 4.21Å; L624-Y634 HydrophobicContact CG-CD1 4.46Å; L624-Y634 HydrophobicContact CG-CE1 4.3Å; L624-I666 HydrophobicContact CD2-CG2 3.8Å; L624-Y667 HydrophobicContact CD2-CD1 3.82Å; L624-Y667 HydrophobicContact CD2-CE1 3.5Å; L624-Y667 VanDerWaalsContact CD2-CE1 3.5Å
625E98.2Very high97.6Very high46 Ų4648 Ų4822%0.21523%0.232CC..Hα-helixtrans-65.6-44.5177-69.3-64126.400111.6K621 R622 W629 Y634 P668 N671K621-E625 WeakPolarHBondContact O-CG 3.26Å; K621-E625 PolarHBondContact O-N 3.47Å; R622-E625 PolarHBondContact O-N 3.18Å; E625-W629 WeakPolarHBondContact O-CB 3.17Å; E625-W629 PolarHBondContact O-N 3.31Å; E625-Y634 VanDerWaalsContact OE1-CE1 3.29Å; E625-Y634 WeakPolarHBondContact OE1-CE1 3.47Å; E625-Y634 VanDerWaalsContact OE1-CZ 3.31Å; E625-Y634 PolarHBondContact OE1-OH 3.07Å; E625-P668 VanDerWaalsContact OE1-CD 3.27Å; E625-P668 WeakPolarHBondContact OE1-CD 3.32Å; E625-N671 PolarHBondContact OE2-ND2 2.89Å
626E97.9Very high97.6Very high158 Ų15844 Ų4474%0.73821%0.211SC*.Hα-helixtrans-66.8-39.9-178.9-73.9177.1-170.500112.9R622 S623R622-E626 WeakPolarHBondContact O-CB 3.49Å; R622-E626 WeakPolarHBondContact O-CG 3.32Å; R622-E626 PolarHBondContact O-N 2.71Å; S623-E626 PolarHBondContact O-N 2.93Å
627K97.6Very high97.5Very high61 Ų6143 Ų4327%0.26521%0.206SC..Hα-helixtrans-92.3-37.4-172.2-65.4-179169.1-174.20113.1D559 D561 L563 P582 S623 L638D559-K627 IonicContact OD1-NZ 2.59Å; D559-K627 IonicContact OD2-NZ 3.88Å; D559-K627 PolarHBondContact OD2-NZ 3.3Å; D561-K627 WeakPolarHBondContact OD2-CE 3.23Å; D561-K627 IonicContact OD2-NZ 2.71Å; D561-K627 PolarHBondContact OD2-NZ 3.02Å; L563-K627 HydrophobicContact CD1-CD 4.47Å; P582-K627 HydrophobicContact CG-CD 4.48Å; S623-K627 WeakPolarHBondContact O-CB 3.2Å; S623-K627 VanDerWaalsContact O-CG 3.31Å; S623-K627 WeakPolarHBondContact O-CG 3.34Å; S623-K627 PolarHBondContact O-N 2.89Å; K627-L638 HydrophobicContact CB-CD2 4.01Å; K627-L638 HydrophobicContact CD-CD1 4.35Å
628L97.6Very high97.3Very high0 Ų046.3 Ų46.30%022%0.223CC..Hα-helixtrans-112.2-30.6-168.7-61.4178.6000114.6A584 L624 N630 Y634 R635 L638A584-L628 HydrophobicContact CB-CD1 4.45Å; L624-L628 HydrophobicContact CD1-CD1 3.8Å; L624-L628 WeakPolarHBondContact O-CA 3.09Å; L624-L628 WeakPolarHBondContact O-CB 3.26Å; L624-L628 PolarHBondContact O-N 3.29Å; L628-N630 PolarHBondContact O-N 3.46Å; L628-Y634 HydrophobicContact CB-CD1 4.14Å; L628-Y634 WeakPolarHBondContact O-CA 3.43Å; L628-R635 HydrophobicContact CD2-CB 4.1Å; L628-R635 WeakPolarHBondContact O-CG 3.14Å; L628-R635 PolarHBondContact O-N 2.89Å; L628-L638 HydrophobicContact CD2-CD2 3.61Å; L628-L638 HydrophobicContact CD2-CG 4.5Å
629W97.8Very high97.1Very high54 Ų5442.8 Ų42.821%0.20521%0.209CC..BIsolated β-bridgetrans-72120.2178.4178-115.2000110.9L624 E625 G631 S632 Y633 Y634 N671 T674 A675L624-W629 PolarHBondContact O-N 2.76Å; E625-W629 WeakPolarHBondContact O-CB 3.17Å; E625-W629 PolarHBondContact O-N 3.31Å; W629-G631 VanDerWaalsContact CE2-CA 3.48Å; W629-G631 WeakPolarHBondContact CZ2-O 3.38Å; W629-S632 VanDerWaalsContact CZ3-C 3.45Å; W629-Y633 VanDerWaalsContact CZ3-CA 3.49Å; W629-Y633 VanDerWaalsContact CZ3-N 3.35Å; W629-Y634 HydrophobicContact CB-CD1 4.18Å; W629-Y634 HydrophobicContact CB-CE1 3.87Å; W629-Y634 HydrophobicContact CE3-CD1 4.34Å; W629-Y634 AromaticContact CE3-CD2 3.96Å; W629-Y634 HydrophobicContact CE3-CD2 3.96Å; W629-Y634 HydrophobicContact CE3-CE1 4.11Å; W629-Y634 AromaticContact CE3-CE2 3.69Å; W629-Y634 HydrophobicContact CE3-CE2 3.69Å; W629-Y634 HydrophobicContact CE3-CG 4.26Å; W629-Y634 AromaticContact CE3-CZ 3.75Å; W629-Y634 HydrophobicContact CZ3-CD2 4.26Å; W629-Y634 AromaticContact CZ3-CE2 3.97Å; W629-Y634 HydrophobicContact CZ3-CE2 3.97Å; W629-N671 HydrophobicContact CD2-CB 4.38Å; W629-N671 HydrophobicContact CE3-CB 4.13Å; W629-N671 HydrophobicContact CH2-CB 3.8Å; W629-N671 HydrophobicContact CZ2-CB 4.05Å; W629-N671 WeakPolarHBondContact CZ2-OD1 3.28Å; W629-N671 HydrophobicContact CZ3-CB 3.82Å; W629-T674 HydrophobicContact CH2-CG2 4.16Å; W629-A675 HydrophobicContact CZ3-CB 4.43Å
630N94.9Very high96.5Very high64 Ų6446.5 Ų46.534%0.34223%0.227SC..  trans-100.58.4-178.870.917000114.2L628 S632 Y633 R635L628-N630 PolarHBondContact O-N 3.46Å; N630-S632 PolarHBondContact OD1-N 2.91Å; N630-Y633 PolarHBondContact N-O 2.95Å; N630-Y633 VanDerWaalsContact N-O 3.11Å; N630-Y633 VanDerWaalsContact ND2-CE1 3.25Å; N630-Y633 WeakPolarHBondContact ND2-CE1 3.43Å; N630-Y633 VanDerWaalsContact ND2-CE2 3.33Å; N630-Y633 WeakPolarHBondContact ND2-CE2 3.33Å; N630-Y633 PolarHBondContact OD1-N 2.74Å; N630-Y633 PolarHBondContact OD1-O 2.72Å; N630-R635 HydrophobicContact CB-CG 4.37Å
631G94.6Very high95.9Very high53 Ų5350.5 Ų50.555%0.54626%0.255SS..SBendtrans93.1-7.9-173.100000114.8W629W629-G631 VanDerWaalsContact CE2-CA 3.48Å; W629-G631 WeakPolarHBondContact CZ2-O 3.38Å
632S94Very high95.5Very high18 Ų1849.2 Ų49.213%0.12625%0.25CC..SBendtrans-140.8-29.5176-175.40000115.3W629 N630 T674 R678W629-S632 VanDerWaalsContact CZ3-C 3.45Å; N630-S632 PolarHBondContact OD1-N 2.91Å; S632-T674 WeakPolarHBondContact O-CG2 3.49Å; S632-R678 VanDerWaalsContact OG-CZ 3.28Å; S632-R678 PolarHBondContact OG-NE 3.45Å; S632-R678 PolarHBondContact OG-NH2 3.29Å
633Y97.2Very high94.9Very high5 Ų545.4 Ų45.42%0.0224%0.236CC..SBendtrans-155.4167.2176.758.9-85.4000109.1W629 N630 D644 I646 R678W629-Y633 VanDerWaalsContact CZ3-CA 3.49Å; W629-Y633 VanDerWaalsContact CZ3-N 3.35Å; N630-Y633 PolarHBondContact N-O 2.95Å; N630-Y633 VanDerWaalsContact N-O 3.11Å; N630-Y633 VanDerWaalsContact ND2-CE1 3.25Å; N630-Y633 WeakPolarHBondContact ND2-CE1 3.43Å; N630-Y633 VanDerWaalsContact ND2-CE2 3.33Å; N630-Y633 WeakPolarHBondContact ND2-CE2 3.33Å; N630-Y633 PolarHBondContact OD1-N 2.74Å; N630-Y633 PolarHBondContact OD1-O 2.72Å; Y633-D644 PolarHBondContact OH-O 2.96Å; Y633-I646 HydrophobicContact CD1-CG1 4.27Å; Y633-I646 HydrophobicContact CD2-CB 4.5Å; Y633-I646 HydrophobicContact CD2-CG1 3.88Å; Y633-I646 HydrophobicContact CE1-CD1 4.37Å; Y633-I646 HydrophobicContact CE1-CG1 4.01Å; Y633-I646 HydrophobicContact CE2-CB 4.44Å; Y633-I646 HydrophobicContact CE2-CG1 3.59Å; Y633-I646 HydrophobicContact CG-CG1 4.2Å; Y633-R678 HydrophobicContact CD1-CG 3.77Å; Y633-R678 HydrophobicContact CE1-CG 4.46Å; Y633-R678 HydrophobicContact CG-CG 4.27Å
634Y97.8Very high94.5Very high0 Ų045.8 Ų45.80%024%0.236CC..BIsolated β-bridgetrans-84.5126.2172.4-65.1-89.2000109L624 E625 L628 W629 Q650 L651 Y667 N671 A675L624-Y634 HydrophobicContact CD2-CE1 4.21Å; L624-Y634 HydrophobicContact CG-CD1 4.46Å; L624-Y634 HydrophobicContact CG-CE1 4.3Å; E625-Y634 VanDerWaalsContact OE1-CE1 3.29Å; E625-Y634 WeakPolarHBondContact OE1-CE1 3.47Å; E625-Y634 VanDerWaalsContact OE1-CZ 3.31Å; E625-Y634 PolarHBondContact OE1-OH 3.07Å; L628-Y634 HydrophobicContact CB-CD1 4.14Å; L628-Y634 WeakPolarHBondContact O-CA 3.43Å; W629-Y634 HydrophobicContact CB-CD1 4.18Å; W629-Y634 HydrophobicContact CB-CE1 3.87Å; W629-Y634 HydrophobicContact CE3-CD1 4.34Å; W629-Y634 AromaticContact CE3-CD2 3.96Å; W629-Y634 HydrophobicContact CE3-CD2 3.96Å; W629-Y634 HydrophobicContact CE3-CE1 4.11Å; W629-Y634 AromaticContact CE3-CE2 3.69Å; W629-Y634 HydrophobicContact CE3-CE2 3.69Å; W629-Y634 HydrophobicContact CE3-CG 4.26Å; W629-Y634 AromaticContact CE3-CZ 3.75Å; W629-Y634 HydrophobicContact CZ3-CD2 4.26Å; W629-Y634 AromaticContact CZ3-CE2 3.97Å; W629-Y634 HydrophobicContact CZ3-CE2 3.97Å; Y634-Q650 PolarHBondContact O-OE1 3.35Å; Y634-L651 HydrophobicContact CD2-CD2 4.02Å; Y634-L651 HydrophobicContact CE2-CD2 4.04Å; Y634-Y667 HydrophobicContact CD2-CD1 4.5Å; Y634-Y667 HydrophobicContact CD2-CE1 4.38Å; Y634-Y667 HydrophobicContact CE1-CD1 4.04Å; Y634-Y667 HydrophobicContact CE1-CE1 4.19Å; Y634-Y667 AromaticContact CE2-CD1 3.73Å; Y634-Y667 HydrophobicContact CE2-CD1 3.73Å; Y634-Y667 HydrophobicContact CE2-CE1 4.04Å; Y634-Y667 AromaticContact CZ-CD1 3.48Å; Y634-Y667 VanDerWaalsContact CZ-CD1 3.48Å; Y634-Y667 AromaticContact CZ-CE1 3.96Å; Y634-Y667 WeakPolarHBondContact OH-CD1 3.33Å; Y634-N671 HydrophobicContact CE2-CB 4.26Å; Y634-N671 WeakPolarHBondContact OH-CB 3.24Å; Y634-N671 PolarHBondContact OH-ND2 2.97Å; Y634-A675 HydrophobicContact CD2-CB 4.43Å
635R96.8Very high94.3Very high73 Ų7345.8 Ų45.828%0.27524%0.237SC..  trans-54.5143174.5-70.3168.1142.3-90.7-6.9110.3A584 L628 N630 D637A584-R635 VanDerWaalsContact CB-O 3.3Å; A584-R635 WeakPolarHBondContact CB-O 3.38Å; L628-R635 HydrophobicContact CD2-CB 4.1Å; L628-R635 WeakPolarHBondContact O-CG 3.14Å; L628-R635 PolarHBondContact O-N 2.89Å; N630-R635 HydrophobicContact CB-CG 4.37Å; R635-D637 VanDerWaalsContact C-N 3.32Å; R635-D637 PolarHBondContact O-N 3.47Å
636F97.3Very high94.3Very high0 Ų043.6 Ų43.60%023%0.226CC..SBendtrans-51.1-53175174.6-97000111.5W577 V578 M579 S583 A584 H642 T645 M647W577-F636 AromaticContact CD1-CZ 3.81Å; W577-F636 AromaticContact CD2-CE2 3.61Å; W577-F636 HydrophobicContact CD2-CE2 3.61Å; W577-F636 AromaticContact CD2-CZ 3.72Å; W577-F636 HydrophobicContact CD2-CZ 3.72Å; W577-F636 AromaticContact CE2-CE2 3.44Å; W577-F636 VanDerWaalsContact CE2-CE2 3.44Å; W577-F636 AromaticContact CE2-CZ 3.58Å; W577-F636 AromaticContact CE3-CE2 3.82Å; W577-F636 HydrophobicContact CE3-CE2 3.82Å; W577-F636 HydrophobicContact CE3-CZ 4.34Å; W577-F636 HydrophobicContact CG-CE2 4.29Å; W577-F636 AromaticContact CG-CZ 3.91Å; W577-F636 HydrophobicContact CG-CZ 3.91Å; W577-F636 AromaticContact CH2-CD2 4Å; W577-F636 HydrophobicContact CH2-CD2 4Å; W577-F636 AromaticContact CH2-CE2 3.75Å; W577-F636 HydrophobicContact CH2-CE2 3.75Å; W577-F636 AromaticContact CZ2-CD2 3.86Å; W577-F636 HydrophobicContact CZ2-CD2 3.86Å; W577-F636 AromaticContact CZ2-CE2 3.56Å; W577-F636 HydrophobicContact CZ2-CE2 3.56Å; W577-F636 HydrophobicContact CZ2-CZ 4.13Å; W577-F636 HydrophobicContact CZ3-CD2 4.47Å; W577-F636 AromaticContact CZ3-CE2 3.87Å; W577-F636 HydrophobicContact CZ3-CE2 3.87Å; W577-F636 AromaticContact NE1-CE2 3.97Å; W577-F636 AromaticContact NE1-CZ 3.62Å; V578-F636 WeakPolarHBondContact O-CE1 3.42Å; M579-F636 HydrophobicContact CB-CE1 4.46Å; M579-F636 HydrophobicContact CE-CE2 3.77Å; M579-F636 HydrophobicContact CE-CZ 3.83Å; M579-F636 HydrophobicContact CG-CE1 3.7Å; M579-F636 HydrophobicContact CG-CE2 4.32Å; M579-F636 HydrophobicContact CG-CZ 3.5Å; S583-F636 CarbonylContact C-O 3.49Å; S583-F636 VanDerWaalsContact CA-O 3.26Å; S583-F636 WeakPolarHBondContact CA-O 3.45Å; S583-F636 WeakPolarHBondContact CB-O 3.31Å; A584-F636 PolarHBondContact N-O 3.36Å; F636-H642 HydrophobicContact CB-CB 4.06Å; F636-H642 HydrophobicContact CD1-CB 3.62Å; F636-H642 AromaticContact CD1-CG 3.58Å; F636-H642 AromaticContact CD1-ND1 3.33Å; F636-H642 VanDerWaalsContact CD1-ND1 3.33Å; F636-H642 WeakPolarHBondContact CD1-ND1 3.48Å; F636-H642 HydrophobicContact CE1-CB 4.48Å; F636-H642 AromaticContact CE1-CE1 3.82Å; F636-H642 AromaticContact CE1-CG 3.98Å; F636-H642 AromaticContact CE1-ND1 3.4Å; F636-H642 WeakPolarHBondContact CE1-ND1 3.36Å; F636-H642 HydrophobicContact CG-CB 4.17Å; F636-T645 HydrophobicContact CB-CG2 4.22Å; F636-T645 HydrophobicContact CD2-CG2 4.49Å; F636-T645 HydrophobicContact CG-CG2 4.44Å; F636-M647 HydrophobicContact CD2-CB 4.03Å; F636-M647 HydrophobicContact CD2-CG 4.19Å; F636-M647 HydrophobicContact CD2-SD 3.74Å; F636-M647 HydrophobicContact CE2-CG 4.48Å; F636-M647 HydrophobicContact CE2-SD 3.78Å
637D97.4Very high94.4Very high0 Ų036.1 Ų36.10%019%0.191CC..  trans-156.5-165.7174678.9000110.9M579 D580 P582 R635 S639 H642M579-D637 WeakPolarHBondContact CA-OD2 3.15Å; D580-D637 PolarHBondContact N-OD2 3.02Å; P582-D637 WeakPolarHBondContact O-CA 3.41Å; R635-D637 VanDerWaalsContact C-N 3.32Å; R635-D637 PolarHBondContact O-N 3.47Å; D637-S639 WeakPolarHBondContact OD1-CA 3.26Å; D637-S639 WeakPolarHBondContact OD1-CB 3.34Å; D637-S639 PolarHBondContact OD1-N 3.23Å; D637-H642 IonicContact OD1-CG 2.58Å; D637-H642 IonicContact OD1-ND1 3Å; D637-H642 PolarHBondContact OD1-ND1 2.75Å; D637-H642 VanDerWaalsContact OD1-ND1 3.17Å; D637-H642 IonicContact OD2-CE1 3.54Å; D637-H642 IonicContact OD2-ND1 3.69Å; D637-H642 PolarHBondContact OD2-ND1 2.88Å
638L94.7Very high94.4Very high73 Ų7333.3 Ų33.338%0.38218%0.179SC..SBendtrans-87.9-0.6176.5-56.4-168.9000114.2D580 P582 K627 L628D580-L638 PolarHBondContact O-N 3.34Å; P582-L638 HydrophobicContact CG-CD1 4.27Å; K627-L638 HydrophobicContact CB-CD2 4.01Å; K627-L638 HydrophobicContact CD-CD1 4.35Å; L628-L638 HydrophobicContact CD2-CD2 3.61Å; L628-L638 HydrophobicContact CD2-CG 4.5Å
639S93.3Very high94.5Very high20 Ų2033.7 Ų33.714%0.1418%0.181CC..  trans-66.5142.2178.5-176.20000111.3D637 S641 H642D637-S639 WeakPolarHBondContact OD1-CA 3.26Å; D637-S639 WeakPolarHBondContact OD1-CB 3.34Å; D637-S639 PolarHBondContact OD1-N 3.23Å; S639-S641 PolarHBondContact O-N 2.88Å; S639-S641 PolarHBondContact OG-N 2.82Å; S639-S641 PolarHBondContact OG-OG 3.1Å; S639-H642 PolarHBondContact O-N 2.85Å
640H87.1Confident94.5Very high141 Ų14131.1 Ų31.165%0.65317%0.172SC*.G310 helixtrans-66.6-28.9173.5-164.877.7000112.5H642 R643H640-H642 VanDerWaalsContact C-N 3.28Å; H640-H642 PolarHBondContact O-N 3.04Å; H640-R643 PolarHBondContact NE2-NH1 3.39Å
641S86.4Confident94.7Very high84 Ų8428.3 Ų28.359%0.58716%0.157SC*.G310 helixtrans-67-28.7-179.654.60000113.1S639S639-S641 PolarHBondContact O-N 2.88Å; S639-S641 PolarHBondContact OG-N 2.82Å; S639-S641 PolarHBondContact OG-OG 3.1Å
642H88.8Confident94.9Very high19 Ų1925.8 Ų25.89%0.08813%0.131CC..G310 helixtrans-105.514.2-174.7-47.5140.2000112.6V578 F636 D637 S639 H640 D644 T645V578-H642 PolarHBondContact O-CE1 2.73Å; V578-H642 VanDerWaalsContact O-CE1 3.29Å; F636-H642 HydrophobicContact CB-CB 4.06Å; F636-H642 HydrophobicContact CD1-CB 3.62Å; F636-H642 AromaticContact CD1-CG 3.58Å; F636-H642 AromaticContact CD1-ND1 3.33Å; F636-H642 VanDerWaalsContact CD1-ND1 3.33Å; F636-H642 WeakPolarHBondContact CD1-ND1 3.48Å; F636-H642 HydrophobicContact CE1-CB 4.48Å; F636-H642 AromaticContact CE1-CE1 3.82Å; F636-H642 AromaticContact CE1-CG 3.98Å; F636-H642 AromaticContact CE1-ND1 3.4Å; F636-H642 WeakPolarHBondContact CE1-ND1 3.36Å; F636-H642 HydrophobicContact CG-CB 4.17Å; D637-H642 IonicContact OD1-CG 2.58Å; D637-H642 IonicContact OD1-ND1 3Å; D637-H642 PolarHBondContact OD1-ND1 2.75Å; D637-H642 VanDerWaalsContact OD1-ND1 3.17Å; D637-H642 IonicContact OD2-CE1 3.54Å; D637-H642 IonicContact OD2-ND1 3.69Å; D637-H642 PolarHBondContact OD2-ND1 2.88Å; S639-H642 PolarHBondContact O-N 2.85Å; H640-H642 VanDerWaalsContact C-N 3.28Å; H640-H642 PolarHBondContact O-N 3.04Å; H642-D644 PolarHBondContact O-N 3.11Å; H642-T645 WeakPolarHBondContact O-CB 3.45Å; H642-T645 PolarHBondContact O-N 2.76Å
643R86.2Confident95.1Very high71 Ų7125 Ų2527%0.26813%0.125SC..THydrogen-bonded Turntrans-56.4-30-169.977-173.8-171.5-170.21.5114.2H640 S703 E704H640-R643 PolarHBondContact NE2-NH1 3.39Å; R643-S703 PolarHBondContact NE-OG 3.17Å; R643-S703 PolarHBondContact NH2-OG 2.84Å; R643-E704 IonicContact NH2-OE1 3.73Å
644D90.4Very high95.2Very high20 Ų2024.8 Ų24.811%0.10712%0.124CC..THydrogen-bonded Turntrans-110.31.2-177.4-65.1-62.1000112.7Y633 H642 I699 A700 S703Y633-D644 PolarHBondContact OH-O 2.96Å; H642-D644 PolarHBondContact O-N 3.11Å; D644-I699 HydrophobicContact CB-CG2 4.06Å; D644-A700 PolarHBondContact O-N 2.83Å; D644-S703 VanDerWaalsContact CG-OG 3.27Å; D644-S703 WeakPolarHBondContact OD1-CB 3.23Å; D644-S703 PolarHBondContact OD1-N 3.06Å; D644-S703 VanDerWaalsContact OD1-N 3.11Å; D644-S703 PolarHBondContact OD1-OG 2.74Å; D644-S703 WeakPolarHBondContact OD2-CB 3.28Å; D644-S703 PolarHBondContact OD2-OG 3.45Å
645T95.4Very high95.2Very high2 Ų224.8 Ų24.81%0.01212%0.124CC..EExtended strand (participates in β ladder)trans-75.6124.5-179.3-61.20000110.1W577 F636 H642 D712W577-T645 HydrophobicContact CH2-CG2 4.22Å; W577-T645 HydrophobicContact CZ2-CG2 3.75Å; F636-T645 HydrophobicContact CB-CG2 4.22Å; F636-T645 HydrophobicContact CD2-CG2 4.49Å; F636-T645 HydrophobicContact CG-CG2 4.44Å; H642-T645 WeakPolarHBondContact O-CB 3.45Å; H642-T645 PolarHBondContact O-N 2.76Å; T645-D712 HydrophobicContact CG2-CB 4.48Å; T645-D712 WeakPolarHBondContact CG2-OD2 3.38Å; T645-D712 PolarHBondContact OG1-OD2 2.84Å
646I97.9Very high95.3Very high0 Ų021.4 Ų21.40%011%0.112CC..EExtended strand (participates in β ladder)trans-97.2116.9169.8-55.2165.3000107.5Y633 R678 I679 N682 N683 F698 A700Y633-I646 HydrophobicContact CD1-CG1 4.27Å; Y633-I646 HydrophobicContact CD2-CB 4.5Å; Y633-I646 HydrophobicContact CD2-CG1 3.88Å; Y633-I646 HydrophobicContact CE1-CD1 4.37Å; Y633-I646 HydrophobicContact CE1-CG1 4.01Å; Y633-I646 HydrophobicContact CE2-CB 4.44Å; Y633-I646 HydrophobicContact CE2-CG1 3.59Å; Y633-I646 HydrophobicContact CG-CG1 4.2Å; I646-R678 HydrophobicContact CD1-CG 3.74Å; I646-R678 HydrophobicContact CG1-CG 4.5Å; I646-I679 HydrophobicContact CG2-CG1 3.86Å; I646-N682 HydrophobicContact CD1-CB 3.72Å; I646-N683 VanDerWaalsContact CG2-OD1 3.22Å; I646-N683 WeakPolarHBondContact CG2-OD1 3.11Å; I646-N683 PolarHBondContact O-ND2 2.86Å; I646-F698 PolarHBondContact N-O 3.06Å; I646-F698 PolarHBondContact O-N 3.35Å; I646-A700 HydrophobicContact CD1-CB 3.68Å; I646-A700 HydrophobicContact CG1-CB 4.35Å
647M98.6Very high95.3Very high0 Ų021.4 Ų21.40%011%0.112CC..EExtended strand (participates in β ladder)trans-86.9132.4173.5-167.6177.6178.400110.5Y574 W577 M579 Y585 F636 D649 Q650 N696Y574-M647 HydrophobicContact CD2-CE 3.62Å; Y574-M647 HydrophobicContact CE1-CE 4.15Å; Y574-M647 HydrophobicContact CE2-CE 3.2Å; Y574-M647 HydrophobicContact CG-CE 4.28Å; W577-M647 HydrophobicContact CH2-CG 4.19Å; W577-M647 HydrophobicContact CZ3-CE 4.35Å; W577-M647 HydrophobicContact CZ3-CG 4.04Å; M579-M647 HydrophobicContact CE-CE 3.9Å; M579-M647 HydrophobicContact CE-SD 4.08Å; Y585-M647 HydrophobicContact CD2-CE 4.17Å; Y585-M647 HydrophobicContact CG-CE 4.05Å; F636-M647 HydrophobicContact CD2-CB 4.03Å; F636-M647 HydrophobicContact CD2-CG 4.19Å; F636-M647 HydrophobicContact CD2-SD 3.74Å; F636-M647 HydrophobicContact CE2-CG 4.48Å; F636-M647 HydrophobicContact CE2-SD 3.78Å; M647-D649 HydrophobicContact CE-CB 4.03Å; M647-D649 HydrophobicContact CG-CB 4.44Å; M647-D649 PolarHBondContact O-N 3.3Å; M647-Q650 HydrophobicContact CB-CB 4.16Å; M647-Q650 PolarHBondContact O-N 3.47Å; M647-Q650 PolarHBondContact O-NE2 3.01Å; M647-N696 CarbonylContact C-O 3.49Å; M647-N696 VanDerWaalsContact CA-O 3.31Å; M647-N696 WeakPolarHBondContact CA-O 3.22Å
648A98.7Very high95.3Very high2 Ų222.9 Ų22.92%0.01712%0.118CC..THydrogen-bonded Turntrans-60-30.1176.300000112.5I679 A694 N696 L729A648-I679 HydrophobicContact CB-CG2 4.47Å; A648-A694 HydrophobicContact CB-CB 4.22Å; A648-N696 PolarHBondContact N-O 2.82Å; A648-L729 HydrophobicContact CB-CD2 4.41Å
649D98.6Very high95.3Very high8 Ų819.8 Ų19.84%0.04310%0.102CC..THydrogen-bonded Turntrans-106.317.3-172.5-156.714.9000113.4Y377 Y574 Y585 M647 L651 C652 V725Y377-D649 PolarHBondContact OH-OD2 3.15Å; Y574-D649 VanDerWaalsContact OH-CB 3.22Å; Y574-D649 WeakPolarHBondContact OH-CB 3.43Å; Y574-D649 PolarHBondContact OH-OD2 2.85Å; Y585-D649 HydrophobicContact CD2-CB 4.43Å; Y585-D649 VanDerWaalsContact CE2-OD2 3.25Å; Y585-D649 WeakPolarHBondContact CE2-OD2 3.41Å; M647-D649 HydrophobicContact CE-CB 4.03Å; M647-D649 HydrophobicContact CG-CB 4.44Å; M647-D649 PolarHBondContact O-N 3.3Å; D649-L651 PolarHBondContact O-N 2.97Å; D649-C652 WeakPolarHBondContact O-CB 3.42Å; D649-C652 PolarHBondContact O-N 3.07Å; D649-C652 VanDerWaalsContact O-N 3.08Å; D649-C652 VanDerWaalsContact OD1-CB 3.26Å; D649-C652 WeakPolarHBondContact OD1-CB 3.18Å; D649-C652 PolarHBondContact OD1-SG 3.08Å; D649-C652 VanDerWaalsContact OD1-SG 3.39Å; D649-V725 HydrophobicContact CB-CG1 3.91Å
650Q98.6Very high95.5Very high0 Ų018.9 Ų18.90%010%0.096CC..THydrogen-bonded Turntrans-61.4-15.1-177.375.2-171-102.200114.2A584 Y634 M647 I679A584-Q650 HydrophobicContact CB-CB 3.8Å; Y634-Q650 PolarHBondContact O-OE1 3.35Å; M647-Q650 HydrophobicContact CB-CB 4.16Å; M647-Q650 PolarHBondContact O-N 3.47Å; M647-Q650 PolarHBondContact O-NE2 3.01Å; Q650-I679 HydrophobicContact CG-CD1 3.9Å
651L98.7Very high95.9Very high5 Ų514 Ų143%0.0269%0.085CC..THydrogen-bonded Turntrans-113.223.4179.4-68.5177.1000112.7Y634 D649 G653 H654 W655 Y667 V672 A675 L676Y634-L651 HydrophobicContact CD2-CD2 4.02Å; Y634-L651 HydrophobicContact CE2-CD2 4.04Å; D649-L651 PolarHBondContact O-N 2.97Å; L651-G653 PolarHBondContact O-N 3.07Å; L651-H654 HydrophobicContact CB-CB 4.26Å; L651-H654 WeakPolarHBondContact O-CB 3.34Å; L651-H654 PolarHBondContact O-N 2.89Å; L651-W655 PolarHBondContact O-N 3.35Å; L651-W655 VanDerWaalsContact O-N 3.07Å; L651-Y667 HydrophobicContact CD2-CD1 4Å; L651-Y667 HydrophobicContact CD2-CD2 4.35Å; L651-Y667 HydrophobicContact CD2-CE1 3.76Å; L651-Y667 HydrophobicContact CD2-CE2 4.2Å; L651-Y667 HydrophobicContact CD2-CG 4.25Å; L651-V672 HydrophobicContact CD1-CG1 4.09Å; L651-A675 HydrophobicContact CD1-CB 3.98Å; L651-L676 HydrophobicContact CD1-CD2 3.97Å; L651-L676 HydrophobicContact CD1-CG 3.81Å
652C98.6Very high96.4Very high1 Ų111.5 Ų11.51%0.0076%0.063CC..Hα-helixtrans-52.4-39.9179.4-160.10000113Y585 L589 D649 H654 W655 Y656Y585-C652 HydrophobicContact CD2-CB 3.77Å; Y585-C652 HydrophobicContact CE2-CB 3.8Å; L589-C652 HydrophobicContact CD2-CB 4.35Å; D649-C652 WeakPolarHBondContact O-CB 3.42Å; D649-C652 PolarHBondContact O-N 3.07Å; D649-C652 VanDerWaalsContact O-N 3.08Å; D649-C652 VanDerWaalsContact OD1-CB 3.26Å; D649-C652 WeakPolarHBondContact OD1-CB 3.18Å; D649-C652 PolarHBondContact OD1-SG 3.08Å; D649-C652 VanDerWaalsContact OD1-SG 3.39Å; C652-H654 PolarHBondContact O-N 3.49Å; C652-W655 WeakPolarHBondContact O-CB 3.45Å; C652-Y656 WeakPolarHBondContact O-CB 3.27Å; C652-Y656 PolarHBondContact O-N 3.04Å; C652-Y656 VanDerWaalsContact O-N 3.13Å
653G98.4Very high96.6Very high0 Ų014.1 Ų14.10%08%0.077CC..Hα-helixtrans-62.9-38.9174.900000113.8L651 Y656 L657L651-G653 PolarHBondContact O-N 3.07Å; G653-Y656 PolarHBondContact O-N 3.27Å; G653-L657 WeakPolarHBondContact O-CB 3.32Å; G653-L657 WeakPolarHBondContact O-CG 3.36Å; G653-L657 PolarHBondContact O-N 3.23Å
654H98.6Very high97Very high1 Ų113.3 Ų13.31%0.0058%0.075CC..Hα-helixtrans-66.7-48.8177.7-174.968.4000111.6L651 C652 Y656 L657 K658 Y664 Y667 E736L651-H654 HydrophobicContact CB-CB 4.26Å; L651-H654 WeakPolarHBondContact O-CB 3.34Å; L651-H654 PolarHBondContact O-N 2.89Å; C652-H654 PolarHBondContact O-N 3.49Å; H654-Y656 PolarHBondContact O-N 3.23Å; H654-L657 PolarHBondContact O-N 2.99Å; H654-K658 WeakPolarHBondContact NE2-CE 3.35Å; H654-K658 WeakPolarHBondContact O-CG 3.34Å; H654-K658 PolarHBondContact O-N 2.85Å; H654-Y664 AromaticContact CE1-CD1 3.63Å; H654-Y664 AromaticContact CE1-CE1 3.66Å; H654-Y667 HydrophobicContact CB-CD2 3.75Å; H654-Y667 HydrophobicContact CB-CE2 3.77Å; H654-E736 IonicContact CD2-OE1 3.72Å; H654-E736 IonicContact CE1-OE1 3.06Å; H654-E736 IonicContact NE2-OE1 3.22Å; H654-E736 PolarHBondContact NE2-OE1 3.28Å
655W98.6Very high97.2Very high1 Ų115.5 Ų15.50%0.0048%0.084CC..Hα-helixtrans-49.1-46.5174.3167.245.9000111.7F376 Y377 L651 C652 S659 A728 T732 Q735F376-W655 HydrophobicContact CD1-CH2 4.49Å; F376-W655 HydrophobicContact CD1-CZ3 4.01Å; F376-W655 HydrophobicContact CE1-CE3 4.29Å; F376-W655 HydrophobicContact CE1-CH2 4.36Å; F376-W655 AromaticContact CE1-CZ3 3.58Å; F376-W655 HydrophobicContact CE1-CZ3 3.58Å; F376-W655 HydrophobicContact CZ-CZ3 4.44Å; Y377-W655 AromaticContact CD1-CH2 3.91Å; Y377-W655 HydrophobicContact CD1-CH2 3.91Å; Y377-W655 AromaticContact CD1-CZ3 3.78Å; Y377-W655 HydrophobicContact CD1-CZ3 3.78Å; Y377-W655 HydrophobicContact CE1-CH2 4.46Å; Y377-W655 AromaticContact CE1-CZ3 3.86Å; Y377-W655 HydrophobicContact CE1-CZ3 3.86Å; L651-W655 PolarHBondContact O-N 3.35Å; L651-W655 VanDerWaalsContact O-N 3.07Å; C652-W655 WeakPolarHBondContact O-CB 3.45Å; W655-S659 PolarHBondContact O-N 3.44Å; W655-S659 VanDerWaalsContact O-N 3.16Å; W655-S659 PolarHBondContact O-OG 2.93Å; W655-A728 HydrophobicContact CD2-CB 4.03Å; W655-A728 HydrophobicContact CE3-CB 4.08Å; W655-A728 HydrophobicContact CH2-CB 3.91Å; W655-A728 HydrophobicContact CZ2-CB 3.84Å; W655-A728 HydrophobicContact CZ3-CB 4Å; W655-T732 HydrophobicContact CB-CG2 4.13Å; W655-T732 WeakPolarHBondContact CB-OG1 3.3Å; W655-Q735 PolarHBondContact O-NE2 3.22Å; W655-Q735 PolarHBondContact O-OE1 2.94Å
656Y98.5Very high97.2Very high1 Ų115.7 Ų15.70%0.0049%0.085CC..Hα-helixtrans-76.5-38.7-174.6-142.7-84000112.8F376 L461 Q462 R465 C652 G653 H654 K658 S659 C660F376-Y656 HydrophobicContact CD1-CD2 4.31Å; F376-Y656 HydrophobicContact CD1-CE2 4.15Å; F376-Y656 HydrophobicContact CD2-CD2 4.18Å; F376-Y656 AromaticContact CD2-CE2 3.58Å; F376-Y656 HydrophobicContact CD2-CE2 3.58Å; F376-Y656 AromaticContact CD2-CZ 3.82Å; F376-Y656 AromaticContact CE1-CD2 3.51Å; F376-Y656 HydrophobicContact CE1-CD2 3.51Å; F376-Y656 AromaticContact CE1-CE2 3.78Å; F376-Y656 HydrophobicContact CE1-CE2 3.78Å; F376-Y656 HydrophobicContact CE1-CG 4.33Å; F376-Y656 HydrophobicContact CE2-CD1 4.05Å; F376-Y656 AromaticContact CE2-CD2 3.35Å; F376-Y656 HydrophobicContact CE2-CD2 3.35Å; F376-Y656 AromaticContact CE2-CE1 3.9Å; F376-Y656 HydrophobicContact CE2-CE1 3.9Å; F376-Y656 AromaticContact CE2-CE2 3.15Å; F376-Y656 HydrophobicContact CE2-CE2 3.15Å; F376-Y656 AromaticContact CE2-CG 3.75Å; F376-Y656 HydrophobicContact CE2-CG 3.75Å; F376-Y656 AromaticContact CE2-CZ 3.42Å; F376-Y656 VanDerWaalsContact CE2-CZ 3.42Å; F376-Y656 HydrophobicContact CG-CE2 4.08Å; F376-Y656 HydrophobicContact CZ-CD1 4.18Å; F376-Y656 AromaticContact CZ-CD2 2.97Å; F376-Y656 HydrophobicContact CZ-CD2 2.97Å; F376-Y656 HydrophobicContact CZ-CE1 4.43Å; F376-Y656 AromaticContact CZ-CE2 3.29Å; F376-Y656 HydrophobicContact CZ-CE2 3.29Å; F376-Y656 AromaticContact CZ-CG 3.43Å; F376-Y656 HydrophobicContact CZ-CG 3.43Å; F376-Y656 VanDerWaalsContact CZ-CG 3.43Å; F376-Y656 AromaticContact CZ-CZ 4Å; L461-Y656 HydrophobicContact CB-CD1 3.69Å; L461-Y656 HydrophobicContact CB-CE1 3.71Å; L461-Y656 HydrophobicContact CD1-CD1 4.4Å; L461-Y656 HydrophobicContact CD2-CD1 4.27Å; L461-Y656 HydrophobicContact CG-CD1 4.35Å; Q462-Y656 WeakPolarHBondContact CG-OH 3.32Å; R465-Y656 HydrophobicContact CB-CE1 3.94Å; R465-Y656 VanDerWaalsContact CZ-OH 3.22Å; R465-Y656 PolarHBondContact NH1-OH 2.94Å; C652-Y656 WeakPolarHBondContact O-CB 3.27Å; C652-Y656 PolarHBondContact O-N 3.04Å; C652-Y656 VanDerWaalsContact O-N 3.13Å; G653-Y656 PolarHBondContact O-N 3.27Å; H654-Y656 PolarHBondContact O-N 3.23Å; Y656-K658 VanDerWaalsContact C-N 3.33Å; Y656-K658 PolarHBondContact O-N 2.99Å; Y656-S659 CarbonylContact O-C 3.59Å; Y656-S659 WeakPolarHBondContact O-CA 3.41Å; Y656-S659 VanDerWaalsContact O-CB 3.25Å; Y656-S659 WeakPolarHBondContact O-CB 3.45Å; Y656-S659 PolarHBondContact O-N 2.96Å; Y656-C660 PolarHBondContact O-N 2.8Å; Y656-C660 PolarHBondContact O-SG 3.12Å; Y656-C660 VanDerWaalsContact O-SG 3.38Å
657L98.4Very high97.2Very high1 Ų115.9 Ų15.91%0.0059%0.086CC..Hα-helixtrans-60.5-41.4173.8-80.4-174.4000112.5A592 Q595 G653 H654 S659 C660 G661 F662 E665 I666A592-L657 HydrophobicContact CB-CD1 4.09Å; A592-L657 HydrophobicContact CB-CD2 3.96Å; A592-L657 HydrophobicContact CB-CG 3.72Å; Q595-L657 HydrophobicContact CB-CD2 4.26Å; Q595-L657 HydrophobicContact CG-CD2 4.09Å; G653-L657 WeakPolarHBondContact O-CB 3.32Å; G653-L657 WeakPolarHBondContact O-CG 3.36Å; G653-L657 PolarHBondContact O-N 3.23Å; H654-L657 PolarHBondContact O-N 2.99Å; L657-S659 PolarHBondContact O-N 3.13Å; L657-C660 CarbonylContact O-C 3.59Å; L657-C660 WeakPolarHBondContact O-CA 3.28Å; L657-C660 VanDerWaalsContact O-CB 3.27Å; L657-C660 WeakPolarHBondContact O-CB 3.4Å; L657-C660 PolarHBondContact O-N 3.13Å; L657-G661 PolarHBondContact O-N 3.21Å; L657-F662 HydrophobicContact CB-CB 4.08Å; L657-F662 HydrophobicContact CB-CD2 4.45Å; L657-F662 HydrophobicContact CD2-CB 4.41Å; L657-F662 HydrophobicContact CD2-CD2 3.51Å; L657-F662 HydrophobicContact CD2-CE2 4.07Å; L657-F662 HydrophobicContact CD2-CG 4.23Å; L657-F662 WeakPolarHBondContact O-CB 3.39Å; L657-F662 PolarHBondContact O-N 2.79Å; L657-E665 HydrophobicContact CD1-CB 4.06Å; L657-I666 HydrophobicContact CD1-CD1 3.4Å; L657-I666 HydrophobicContact CD1-CG1 3.71Å; L657-I666 HydrophobicContact CG-CD1 4.37Å
658K97.3Very high97.2Very high31 Ų3118.6 Ų18.614%0.13510%0.104CC..Hα-helixtrans-59.6-36.4170.7-72.4-78.1-155.7170.40112.2H654 Y656 C660 G661 F662 D663 Q735 E736 R793H654-K658 WeakPolarHBondContact NE2-CE 3.35Å; H654-K658 WeakPolarHBondContact O-CG 3.34Å; H654-K658 PolarHBondContact O-N 2.85Å; Y656-K658 VanDerWaalsContact C-N 3.33Å; Y656-K658 PolarHBondContact O-N 2.99Å; K658-C660 PolarHBondContact O-N 2.84Å; K658-G661 PolarHBondContact O-N 3.09Å; K658-F662 WeakPolarHBondContact CA-O 3.36Å; K658-D663 WeakPolarHBondContact CE-OD1 3.11Å; K658-D663 IonicContact NZ-OD1 3.23Å; K658-D663 PolarHBondContact NZ-OD1 2.94Å; K658-Q735 HydrophobicContact CB-CB 4.42Å; K658-Q735 HydrophobicContact CB-CG 4.03Å; K658-Q735 VanDerWaalsContact CB-NE2 3.3Å; K658-Q735 VanDerWaalsContact CB-OE1 3.26Å; K658-Q735 HydrophobicContact CD-CB 4.4Å; K658-Q735 HydrophobicContact CG-CB 4.29Å; K658-Q735 HydrophobicContact CG-CG 4.44Å; K658-E736 WeakPolarHBondContact CE-OE1 3.36Å; K658-E736 IonicContact NZ-OE1 2.71Å; K658-E736 PolarHBondContact NZ-OE1 3.13Å; K658-E736 VanDerWaalsContact NZ-OE1 3.07Å; K658-R793 PolarHBondContact O-NH1 2.76Å
659S95.1Very high97.1Very high7 Ų723.9 Ų23.95%0.04913%0.126CC..Hα-helixtrans-69.1-17.9174.2-55.60000112.9W655 Y656 L657 Q735 R793W655-S659 PolarHBondContact O-N 3.44Å; W655-S659 VanDerWaalsContact O-N 3.16Å; W655-S659 PolarHBondContact O-OG 2.93Å; Y656-S659 CarbonylContact O-C 3.59Å; Y656-S659 WeakPolarHBondContact O-CA 3.41Å; Y656-S659 VanDerWaalsContact O-CB 3.25Å; Y656-S659 WeakPolarHBondContact O-CB 3.45Å; Y656-S659 PolarHBondContact O-N 2.96Å; L657-S659 PolarHBondContact O-N 3.13Å; S659-Q735 PolarHBondContact OG-NE2 2.91Å; S659-R793 VanDerWaalsContact CA-NH1 3.25Å; S659-R793 PolarHBondContact O-NH1 2.8Å; S659-R793 PolarHBondContact O-NH2 2.83Å
660C96.6Very high97Very high1 Ų129.6 Ų29.61%0.00715%0.153CC..THydrogen-bonded Turntrans-94.72.6173.4-69.20000114Y464 Y468 Y656 L657 K658 F662Y464-C660 HydrophobicContact CD1-CB 3.61Å; Y464-C660 HydrophobicContact CE1-CB 3.91Å; Y468-C660 WeakPolarHBondContact CD2-O 3.29Å; Y656-C660 PolarHBondContact O-N 2.8Å; Y656-C660 PolarHBondContact O-SG 3.12Å; Y656-C660 VanDerWaalsContact O-SG 3.38Å; L657-C660 CarbonylContact O-C 3.59Å; L657-C660 WeakPolarHBondContact O-CA 3.28Å; L657-C660 VanDerWaalsContact O-CB 3.27Å; L657-C660 WeakPolarHBondContact O-CB 3.4Å; L657-C660 PolarHBondContact O-N 3.13Å; K658-C660 PolarHBondContact O-N 2.84Å; C660-F662 VanDerWaalsContact C-N 3.35Å; C660-F662 HydrophobicContact CB-CD2 3.6Å; C660-F662 HydrophobicContact CB-CE2 3.87Å
661G94.9Very high97Very high40 Ų4030.7 Ų30.741%0.41216%0.159SC..THydrogen-bonded Turntrans82.97.2-177.600000115.1Y468 L657 K658Y468-G661 VanDerWaalsContact CZ-CA 3.45Å; Y468-G661 WeakPolarHBondContact OH-CA 3.47Å; L657-G661 PolarHBondContact O-N 3.21Å; K658-G661 PolarHBondContact O-N 3.09Å
662F96.9Very high97Very high30 Ų3030.5 Ų30.513%0.13216%0.158CC..  trans-85.5169.9170.4-60.8-68.9000111.4Y464 Q595 A599 L657 K658 C660 E665Y464-F662 AromaticContact CD1-CE2 3.63Å; Y464-F662 HydrophobicContact CD1-CE2 3.63Å; Y464-F662 HydrophobicContact CD1-CZ 4.17Å; Y464-F662 HydrophobicContact CE1-CD2 4.14Å; Y464-F662 HydrophobicContact CE1-CE1 4.46Å; Y464-F662 AromaticContact CE1-CE2 3.16Å; Y464-F662 HydrophobicContact CE1-CE2 3.16Å; Y464-F662 AromaticContact CE1-CZ 3.36Å; Y464-F662 HydrophobicContact CE1-CZ 3.36Å; Y464-F662 HydrophobicContact CE2-CZ 4.18Å; Y464-F662 HydrophobicContact CG-CE2 4.48Å; Y464-F662 AromaticContact CZ-CE2 3.7Å; Y464-F662 AromaticContact CZ-CZ 3.35Å; Y464-F662 VanDerWaalsContact OH-CZ 3.31Å; Y464-F662 WeakPolarHBondContact OH-CZ 3.31Å; Q595-F662 HydrophobicContact CG-CD1 4.44Å; Q595-F662 HydrophobicContact CG-CE1 4.33Å; Q595-F662 HydrophobicContact CG-CE2 4.37Å; Q595-F662 HydrophobicContact CG-CZ 4.29Å; A599-F662 HydrophobicContact CB-CE1 4.21Å; A599-F662 HydrophobicContact CB-CZ 3.69Å; L657-F662 HydrophobicContact CB-CB 4.08Å; L657-F662 HydrophobicContact CB-CD2 4.45Å; L657-F662 HydrophobicContact CD2-CB 4.41Å; L657-F662 HydrophobicContact CD2-CD2 3.51Å; L657-F662 HydrophobicContact CD2-CE2 4.07Å; L657-F662 HydrophobicContact CD2-CG 4.23Å; L657-F662 WeakPolarHBondContact O-CB 3.39Å; L657-F662 PolarHBondContact O-N 2.79Å; K658-F662 WeakPolarHBondContact CA-O 3.36Å; C660-F662 VanDerWaalsContact C-N 3.35Å; C660-F662 HydrophobicContact CB-CD2 3.6Å; C660-F662 HydrophobicContact CB-CE2 3.87Å; F662-E665 HydrophobicContact CB-CG 3.9Å; F662-E665 HydrophobicContact CD1-CG 4.16Å; F662-E665 HydrophobicContact CG-CG 4.24Å
663D93.3Very high96.9Very high74 Ų7435.9 Ų35.940%0.39618%0.178SC..  trans-118.2-112177.5-15517000110.6K658 E665K658-D663 WeakPolarHBondContact CE-OD1 3.11Å; K658-D663 IonicContact NZ-OD1 3.23Å; K658-D663 PolarHBondContact NZ-OD1 2.94Å; D663-E665 PolarHBondContact O-N 2.61Å
664Y94.6Very high96.9Very high55 Ų5538.6 Ų38.622%0.21619%0.194CC..SBendtrans-99.555.4-173.3-58.5-78.4000112.5H654 K669 V672 E736H654-Y664 AromaticContact CE1-CD1 3.63Å; H654-Y664 AromaticContact CE1-CE1 3.66Å; Y664-K669 HydrophobicContact CD1-CB 3.75Å; Y664-K669 HydrophobicContact CD1-CG 4.21Å; Y664-K669 HydrophobicContact CD2-CB 4.14Å; Y664-K669 HydrophobicContact CD2-CD 4.23Å; Y664-K669 HydrophobicContact CD2-CG 4.4Å; Y664-K669 HydrophobicContact CE1-CB 3.74Å; Y664-K669 HydrophobicContact CE1-CD 4.32Å; Y664-K669 HydrophobicContact CE1-CG 3.67Å; Y664-K669 HydrophobicContact CE2-CB 4.13Å; Y664-K669 HydrophobicContact CE2-CD 3.6Å; Y664-K669 HydrophobicContact CE2-CG 3.88Å; Y664-K669 HydrophobicContact CG-CB 3.96Å; Y664-K669 VanDerWaalsContact CZ-CG 3.49Å; Y664-K669 WeakPolarHBondContact OH-CE 3.31Å; Y664-V672 HydrophobicContact CD1-CG2 4.35Å; Y664-V672 HydrophobicContact CE1-CG2 4.46Å; Y664-E736 PolarHBondContact OH-OE1 2.94Å; Y664-E736 PolarHBondContact OH-OE2 2.94Å
665E94.1Very high96.9Very high65 Ų6538.5 Ų38.530%0.30419%0.194SC..SBendtrans-72.1-31.2-175.1-58.9-62.3160.200113.1Q595 K621 L657 F662 D663Q595-E665 HydrophobicContact CG-CB 3.92Å; Q595-E665 HydrophobicContact CG-CG 3.91Å; K621-E665 WeakPolarHBondContact CD-O 3.36Å; K621-E665 WeakPolarHBondContact CE-O 3.39Å; K621-E665 PolarHBondContact NZ-O 3.29Å; L657-E665 HydrophobicContact CD1-CB 4.06Å; F662-E665 HydrophobicContact CB-CG 3.9Å; F662-E665 HydrophobicContact CD1-CG 4.16Å; F662-E665 HydrophobicContact CG-CG 4.24Å; D663-E665 PolarHBondContact O-N 2.61Å
666I96.8Very high96.9Very high7 Ų738.5 Ų38.54%0.03619%0.194CC..SBendtrans-105.3-54.8-175.7-57.2166.5000111L591 A592 K621 L624 L657L591-I666 HydrophobicContact CB-CD1 3.83Å; L591-I666 HydrophobicContact CB-CG1 3.92Å; L591-I666 HydrophobicContact CB-CG2 3.97Å; L591-I666 HydrophobicContact CD1-CG2 3.67Å; L591-I666 HydrophobicContact CG-CG2 4.48Å; A592-I666 HydrophobicContact CB-CD1 3.72Å; A592-I666 VanDerWaalsContact N-CD1 3.31Å; K621-I666 HydrophobicContact CG-CG2 4.46Å; L624-I666 HydrophobicContact CD2-CG2 3.8Å; L657-I666 HydrophobicContact CD1-CD1 3.4Å; L657-I666 HydrophobicContact CD1-CG1 3.71Å; L657-I666 HydrophobicContact CG-CD1 4.37Å
667Y97.5Very high96.9Very high3 Ų342.3 Ų42.31%0.01221%0.211CC..SBendtrans-101.8140.2-167.2-56.9-83.4000111.1G588 L624 Y634 L651 H654 K669 V672G588-Y667 WeakPolarHBondContact CA-OH 3.4Å; L624-Y667 HydrophobicContact CD2-CD1 3.82Å; L624-Y667 HydrophobicContact CD2-CE1 3.5Å; L624-Y667 VanDerWaalsContact CD2-CE1 3.5Å; Y634-Y667 HydrophobicContact CD2-CD1 4.5Å; Y634-Y667 HydrophobicContact CD2-CE1 4.38Å; Y634-Y667 HydrophobicContact CE1-CD1 4.04Å; Y634-Y667 HydrophobicContact CE1-CE1 4.19Å; Y634-Y667 AromaticContact CE2-CD1 3.73Å; Y634-Y667 HydrophobicContact CE2-CD1 3.73Å; Y634-Y667 HydrophobicContact CE2-CE1 4.04Å; Y634-Y667 AromaticContact CZ-CD1 3.48Å; Y634-Y667 VanDerWaalsContact CZ-CD1 3.48Å; Y634-Y667 AromaticContact CZ-CE1 3.96Å; Y634-Y667 WeakPolarHBondContact OH-CD1 3.33Å; L651-Y667 HydrophobicContact CD2-CD1 4Å; L651-Y667 HydrophobicContact CD2-CD2 4.35Å; L651-Y667 HydrophobicContact CD2-CE1 3.76Å; L651-Y667 HydrophobicContact CD2-CE2 4.2Å; L651-Y667 HydrophobicContact CD2-CG 4.25Å; H654-Y667 HydrophobicContact CB-CD2 3.75Å; H654-Y667 HydrophobicContact CB-CE2 3.77Å; Y667-K669 PolarHBondContact O-N 3.1Å; Y667-V672 VanDerWaalsContact CB-CG2 3.41Å; Y667-V672 HydrophobicContact CG-CG2 4.15Å
668P97.6Very high96.9Very high57 Ų5746.8 Ų46.837%0.3723%0.228SC..  trans-58.2133.2165.9-22.834.4000110.9E625 E670 N671 V672E625-P668 VanDerWaalsContact OE1-CD 3.27Å; E625-P668 WeakPolarHBondContact OE1-CD 3.32Å; P668-E670 VanDerWaalsContact C-N 3.28Å; P668-E670 PolarHBondContact O-N 3.1Å; P668-N671 HydrophobicContact CB-CB 4.23Å; P668-N671 WeakPolarHBondContact O-CB 3.3Å; P668-N671 PolarHBondContact O-N 3.2Å; P668-V672 PolarHBondContact O-N 2.82Å; P668-V672 VanDerWaalsContact O-N 3.13Å
669K96.5Very high97Very high114 Ų11445.3 Ų45.350%0.49622%0.221SC..Hα-helixtrans-50.8-44.1-178.3175.9169.9-171.8171.90114Y664 Y667 N671 V672 R673Y664-K669 HydrophobicContact CD1-CB 3.75Å; Y664-K669 HydrophobicContact CD1-CG 4.21Å; Y664-K669 HydrophobicContact CD2-CB 4.14Å; Y664-K669 HydrophobicContact CD2-CD 4.23Å; Y664-K669 HydrophobicContact CD2-CG 4.4Å; Y664-K669 HydrophobicContact CE1-CB 3.74Å; Y664-K669 HydrophobicContact CE1-CD 4.32Å; Y664-K669 HydrophobicContact CE1-CG 3.67Å; Y664-K669 HydrophobicContact CE2-CB 4.13Å; Y664-K669 HydrophobicContact CE2-CD 3.6Å; Y664-K669 HydrophobicContact CE2-CG 3.88Å; Y664-K669 HydrophobicContact CG-CB 3.96Å; Y664-K669 VanDerWaalsContact CZ-CG 3.49Å; Y664-K669 WeakPolarHBondContact OH-CE 3.31Å; Y667-K669 PolarHBondContact O-N 3.1Å; K669-N671 VanDerWaalsContact C-N 3.32Å; K669-N671 PolarHBondContact O-N 3.07Å; K669-V672 PolarHBondContact O-N 3.37Å; K669-R673 PolarHBondContact O-N 2.93Å
670E96.6Very high97.1Very high128 Ų12846.7 Ų46.760%0.59823%0.225SC*.Hα-helixtrans-66.9-34.7-179.8-59.6-53.114200112.1P668 R673 T674P668-E670 VanDerWaalsContact C-N 3.28Å; P668-E670 PolarHBondContact O-N 3.1Å; E670-R673 PolarHBondContact O-N 3.09Å; E670-T674 VanDerWaalsContact O-CB 3.3Å; E670-T674 WeakPolarHBondContact O-CB 3.29Å; E670-T674 PolarHBondContact O-N 2.86Å; E670-T674 PolarHBondContact O-OG1 2.9Å
671N98.4Very high97.2Very high23 Ų2349.4 Ų49.412%0.12324%0.24CC..Hα-helixtrans-68.4-42.1178-675.8000110.8E625 W629 Y634 P668 K669 R673 T674 A675E625-N671 PolarHBondContact OE2-ND2 2.89Å; W629-N671 HydrophobicContact CD2-CB 4.38Å; W629-N671 HydrophobicContact CE3-CB 4.13Å; W629-N671 HydrophobicContact CH2-CB 3.8Å; W629-N671 HydrophobicContact CZ2-CB 4.05Å; W629-N671 WeakPolarHBondContact CZ2-OD1 3.28Å; W629-N671 HydrophobicContact CZ3-CB 3.82Å; Y634-N671 HydrophobicContact CE2-CB 4.26Å; Y634-N671 WeakPolarHBondContact OH-CB 3.24Å; Y634-N671 PolarHBondContact OH-ND2 2.97Å; P668-N671 HydrophobicContact CB-CB 4.23Å; P668-N671 WeakPolarHBondContact O-CB 3.3Å; P668-N671 PolarHBondContact O-N 3.2Å; K669-N671 VanDerWaalsContact C-N 3.32Å; K669-N671 PolarHBondContact O-N 3.07Å; N671-R673 PolarHBondContact O-N 3.22Å; N671-T674 PolarHBondContact O-N 3.39Å; N671-A675 VanDerWaalsContact O-CB 3.27Å; N671-A675 WeakPolarHBondContact O-CB 3.45Å; N671-A675 PolarHBondContact O-N 2.84Å
672V98.6Very high97.3Very high0 Ų048.7 Ų48.70%023%0.227CC..Hα-helixtrans-55.3-53.7174.7173.50000110.5L651 Y664 Y667 P668 K669 T674 A675 L676 E736L651-V672 HydrophobicContact CD1-CG1 4.09Å; Y664-V672 HydrophobicContact CD1-CG2 4.35Å; Y664-V672 HydrophobicContact CE1-CG2 4.46Å; Y667-V672 VanDerWaalsContact CB-CG2 3.41Å; Y667-V672 HydrophobicContact CG-CG2 4.15Å; P668-V672 PolarHBondContact O-N 2.82Å; P668-V672 VanDerWaalsContact O-N 3.13Å; K669-V672 PolarHBondContact O-N 3.37Å; V672-T674 VanDerWaalsContact C-N 3.32Å; V672-T674 PolarHBondContact O-N 2.93Å; V672-A675 PolarHBondContact O-N 2.58Å; V672-L676 HydrophobicContact CG1-CD1 4.02Å; V672-L676 WeakPolarHBondContact O-CG 3.37Å; V672-L676 PolarHBondContact O-N 3.32Å; V672-E736 HydrophobicContact CG1-CG 3.87Å
673R97.6Very high97.4Very high114 Ų11447.2 Ų47.243%0.4322%0.22SC..Hα-helixtrans-63.7-40.2-177.7-164.5179.7-171.584.85111.8K669 E670 N671 K677 E736 M738K669-R673 PolarHBondContact O-N 2.93Å; E670-R673 PolarHBondContact O-N 3.09Å; N671-R673 PolarHBondContact O-N 3.22Å; R673-K677 WeakPolarHBondContact O-CB 3.26Å; R673-K677 PolarHBondContact O-N 2.76Å; R673-E736 PolarHBondContact NH1-O 3.02Å; R673-M738 HydrophobicContact CG-SD 4.36Å
674T98.4Very high97.6Very high57 Ų5743.7 Ų43.735%0.3520%0.201SC..Hα-helixtrans-65.3-44.3178.2-57.20000111.4W629 S632 E670 N671 V672 K677 R678W629-T674 HydrophobicContact CH2-CG2 4.16Å; S632-T674 WeakPolarHBondContact O-CG2 3.49Å; E670-T674 VanDerWaalsContact O-CB 3.3Å; E670-T674 WeakPolarHBondContact O-CB 3.29Å; E670-T674 PolarHBondContact O-N 2.86Å; E670-T674 PolarHBondContact O-OG1 2.9Å; N671-T674 PolarHBondContact O-N 3.39Å; V672-T674 VanDerWaalsContact C-N 3.32Å; V672-T674 PolarHBondContact O-N 2.93Å; T674-K677 PolarHBondContact O-N 2.68Å; T674-R678 WeakPolarHBondContact O-CB 3.19Å; T674-R678 PolarHBondContact O-N 2.72Å
675A98.6Very high97.8Very high0 Ų044.3 Ų44.30%021%0.207CC..Hα-helixtrans-64.9-45.7177.200000111.8W629 Y634 L651 N671 V672 K677 R678 I679W629-A675 HydrophobicContact CZ3-CB 4.43Å; Y634-A675 HydrophobicContact CD2-CB 4.43Å; L651-A675 HydrophobicContact CD1-CB 3.98Å; N671-A675 VanDerWaalsContact O-CB 3.27Å; N671-A675 WeakPolarHBondContact O-CB 3.45Å; N671-A675 PolarHBondContact O-N 2.84Å; V672-A675 PolarHBondContact O-N 2.58Å; A675-K677 VanDerWaalsContact C-N 3.33Å; A675-K677 PolarHBondContact O-N 2.9Å; A675-R678 WeakPolarHBondContact O-CA 3.07Å; A675-R678 WeakPolarHBondContact O-CB 3.27Å; A675-R678 PolarHBondContact O-N 2.76Å; A675-R678 VanDerWaalsContact O-N 3.1Å; A675-I679 VanDerWaalsContact O-CG1 3.3Å; A675-I679 WeakPolarHBondContact O-CG1 3.44Å; A675-I679 PolarHBondContact O-N 2.81Å
676L98.8Very high97.8Very high0 Ų043.3 Ų43.30%021%0.214CC..Hα-helixtrans-59.7-42.6175.6-73.1174.6000112.2L651 V672 R678 I679 Y680 L729 T732 M733 E736 M738L651-L676 HydrophobicContact CD1-CD2 3.97Å; L651-L676 HydrophobicContact CD1-CG 3.81Å; V672-L676 HydrophobicContact CG1-CD1 4.02Å; V672-L676 WeakPolarHBondContact O-CG 3.37Å; V672-L676 PolarHBondContact O-N 3.32Å; L676-R678 VanDerWaalsContact C-N 3.29Å; L676-R678 PolarHBondContact O-N 2.85Å; L676-I679 HydrophobicContact CD2-CD1 4.45Å; L676-I679 PolarHBondContact O-N 2.84Å; L676-Y680 WeakPolarHBondContact O-CB 3.29Å; L676-Y680 PolarHBondContact O-N 3.47Å; L676-L729 HydrophobicContact CD2-CD1 3.82Å; L676-T732 HydrophobicContact CD1-CG2 4.19Å; L676-T732 HydrophobicContact CD2-CG2 4Å; L676-M733 HydrophobicContact CD2-CG 4.38Å; L676-E736 HydrophobicContact CD1-CB 3.95Å; L676-E736 HydrophobicContact CD1-CG 3.58Å; L676-M738 HydrophobicContact CB-CE 4.17Å; L676-M738 HydrophobicContact CB-SD 3.79Å; L676-M738 HydrophobicContact CD1-SD 4.16Å
677K98.5Very high97.7Very high82 Ų8243.9 Ų43.936%0.35722%0.216SC..Hα-helixtrans-63.1-39.6175.3-172.959.7167.876.70111.3R673 T674 A675 Y680 D681 M738R673-K677 WeakPolarHBondContact O-CB 3.26Å; R673-K677 PolarHBondContact O-N 2.76Å; T674-K677 PolarHBondContact O-N 2.68Å; A675-K677 VanDerWaalsContact C-N 3.33Å; A675-K677 PolarHBondContact O-N 2.9Å; K677-Y680 PolarHBondContact O-N 3.08Å; K677-D681 IonicContact NZ-OD1 2.74Å; K677-D681 PolarHBondContact NZ-OD1 2.69Å; K677-D681 IonicContact NZ-OD2 3.98Å; K677-D681 PolarHBondContact NZ-OD2 3.46Å; K677-D681 WeakPolarHBondContact O-CB 3.39Å; K677-D681 VanDerWaalsContact O-CG 3.27Å; K677-D681 PolarHBondContact O-N 3.35Å; K677-M738 HydrophobicContact CB-CE 4.34Å; K677-M738 HydrophobicContact CD-CE 4.31Å
678R97.8Very high97.5Very high95 Ų9548 Ų4836%0.35824%0.236SC..Hα-helixtrans-63.8-44176.3-172.364.966.8-169.60.2111.8S632 Y633 I646 T674 A675 L676 D681 N682S632-R678 VanDerWaalsContact OG-CZ 3.28Å; S632-R678 PolarHBondContact OG-NE 3.45Å; S632-R678 PolarHBondContact OG-NH2 3.29Å; Y633-R678 HydrophobicContact CD1-CG 3.77Å; Y633-R678 HydrophobicContact CE1-CG 4.46Å; Y633-R678 HydrophobicContact CG-CG 4.27Å; I646-R678 HydrophobicContact CD1-CG 3.74Å; I646-R678 HydrophobicContact CG1-CG 4.5Å; T674-R678 WeakPolarHBondContact O-CB 3.19Å; T674-R678 PolarHBondContact O-N 2.72Å; A675-R678 WeakPolarHBondContact O-CA 3.07Å; A675-R678 WeakPolarHBondContact O-CB 3.27Å; A675-R678 PolarHBondContact O-N 2.76Å; A675-R678 VanDerWaalsContact O-N 3.1Å; L676-R678 VanDerWaalsContact C-N 3.29Å; L676-R678 PolarHBondContact O-N 2.85Å; R678-D681 PolarHBondContact O-N 3.43Å; R678-N682 VanDerWaalsContact CD-ND2 3.27Å; R678-N682 WeakPolarHBondContact CD-ND2 3.26Å; R678-N682 WeakPolarHBondContact O-CB 3.35Å; R678-N682 PolarHBondContact O-N 2.79Å; R678-N682 VanDerWaalsContact O-N 3.15Å; R678-N682 PolarHBondContact O-ND2 3.08Å
679I98.8Very high97.4Very high0 Ų052.1 Ų52.10%025%0.25CC..Hα-helixtrans-59.4-48.8174.4-65.5161.9000110I646 A648 Q650 A675 L676 D681 N682 N683 V684 L729I646-I679 HydrophobicContact CG2-CG1 3.86Å; A648-I679 HydrophobicContact CB-CG2 4.47Å; Q650-I679 HydrophobicContact CG-CD1 3.9Å; A675-I679 VanDerWaalsContact O-CG1 3.3Å; A675-I679 WeakPolarHBondContact O-CG1 3.44Å; A675-I679 PolarHBondContact O-N 2.81Å; L676-I679 HydrophobicContact CD2-CD1 4.45Å; L676-I679 PolarHBondContact O-N 2.84Å; I679-D681 PolarHBondContact O-N 3.46Å; I679-N682 PolarHBondContact O-N 2.9Å; I679-N683 HydrophobicContact CG2-CB 4.01Å; I679-N683 WeakPolarHBondContact O-CA 3.19Å; I679-N683 WeakPolarHBondContact O-CB 3.43Å; I679-N683 PolarHBondContact O-N 2.94Å; I679-V684 PolarHBondContact O-N 2.85Å; I679-L729 HydrophobicContact CD1-CD1 4.43Å; I679-L729 HydrophobicContact CG2-CD1 4.13Å; I679-L729 HydrophobicContact CG2-CD2 3.63Å
680Y98.8Very high97.3Very high35 Ų3546.7 Ų46.714%0.13723%0.226CC..Iπ-helixtrans-58.7-47.4178.4179.1-103.5000112.2L676 K677 N682 V684 M685 M733 E741 Q744L676-Y680 WeakPolarHBondContact O-CB 3.29Å; L676-Y680 PolarHBondContact O-N 3.47Å; K677-Y680 PolarHBondContact O-N 3.08Å; Y680-N682 PolarHBondContact O-N 2.88Å; Y680-V684 HydrophobicContact CD2-CB 4.08Å; Y680-V684 HydrophobicContact CD2-CG1 4.14Å; Y680-V684 HydrophobicContact CD2-CG2 4.35Å; Y680-V684 HydrophobicContact CE2-CG1 4.13Å; Y680-V684 WeakPolarHBondContact O-CB 3.36Å; Y680-V684 PolarHBondContact O-N 3.28Å; Y680-M685 HydrophobicContact CD1-CG 4.06Å; Y680-M685 HydrophobicContact CE1-CG 3.59Å; Y680-M685 HydrophobicContact CE1-SD 4.31Å; Y680-M685 HydrophobicContact CE2-CG 4.13Å; Y680-M685 HydrophobicContact CE2-SD 4.2Å; Y680-M685 PolarHBondContact O-N 3.32Å; Y680-M733 HydrophobicContact CD2-CE 4.25Å; Y680-M733 HydrophobicContact CG-CE 4.5Å; Y680-E741 HydrophobicContact CD1-CB 4.33Å; Y680-E741 HydrophobicContact CD1-CG 3.7Å; Y680-E741 HydrophobicContact CD2-CB 3.58Å; Y680-E741 HydrophobicContact CD2-CG 3.91Å; Y680-E741 HydrophobicContact CE1-CB 4.42Å; Y680-E741 HydrophobicContact CE1-CG 3.75Å; Y680-E741 HydrophobicContact CE2-CB 3.71Å; Y680-E741 HydrophobicContact CE2-CG 3.97Å; Y680-E741 HydrophobicContact CG-CB 3.89Å; Y680-E741 HydrophobicContact CG-CG 3.76Å; Y680-Q744 HydrophobicContact CE2-CB 4.18Å; Y680-Q744 HydrophobicContact CE2-CG 4.21Å
681D97.9Very high97.1Very high59 Ų5942.1 Ų42.132%0.31621%0.206SC..Iπ-helixtrans-66.2-26.7-177.7-70.7-18.8000113.2K677 R678 I679 G686K677-D681 IonicContact NZ-OD1 2.74Å; K677-D681 PolarHBondContact NZ-OD1 2.69Å; K677-D681 IonicContact NZ-OD2 3.98Å; K677-D681 PolarHBondContact NZ-OD2 3.46Å; K677-D681 WeakPolarHBondContact O-CB 3.39Å; K677-D681 VanDerWaalsContact O-CG 3.27Å; K677-D681 PolarHBondContact O-N 3.35Å; R678-D681 PolarHBondContact O-N 3.43Å; I679-D681 PolarHBondContact O-N 3.46Å; D681-G686 PolarHBondContact O-N 3.38Å; D681-G686 VanDerWaalsContact O-N 3.14Å
682N97.6Very high96.9Very high24 Ų2441.5 Ų41.513%0.12820%0.202CC..Iπ-helixtrans-108.3-67.9-171.8-70.8-90.2000111.7I646 R678 I679 Y680 V684 G686 F698I646-N682 HydrophobicContact CD1-CB 3.72Å; R678-N682 VanDerWaalsContact CD-ND2 3.27Å; R678-N682 WeakPolarHBondContact CD-ND2 3.26Å; R678-N682 WeakPolarHBondContact O-CB 3.35Å; R678-N682 PolarHBondContact O-N 2.79Å; R678-N682 VanDerWaalsContact O-N 3.15Å; R678-N682 PolarHBondContact O-ND2 3.08Å; I679-N682 PolarHBondContact O-N 2.9Å; Y680-N682 PolarHBondContact O-N 2.88Å; N682-V684 VanDerWaalsContact C-N 3.26Å; N682-V684 PolarHBondContact O-N 2.88Å; N682-G686 CarbonylContact O-C 3.59Å; N682-G686 WeakPolarHBondContact O-CA 3.05Å; N682-G686 PolarHBondContact O-N 3.08Å; N682-F698 HydrophobicContact CB-CB 4.37Å; N682-F698 HydrophobicContact CB-CD1 3.52Å; N682-F698 HydrophobicContact CB-CE1 3.84Å; N682-F698 HydrophobicContact CB-CG 3.95Å; N682-F698 VanDerWaalsContact O-CD2 3.29Å; N682-F698 WeakPolarHBondContact O-CD2 3.41Å; N682-F698 VanDerWaalsContact O-CE2 3.29Å; N682-F698 WeakPolarHBondContact O-CE2 3.18Å
683N98.4Very high96.8Very high0 Ų041.5 Ų41.50%020%0.202CC..Iπ-helixtrans-64.7-29.3-176.6-59.271.6000112.8I646 I679 F687 A694 A695 F698I646-N683 VanDerWaalsContact CG2-OD1 3.22Å; I646-N683 WeakPolarHBondContact CG2-OD1 3.11Å; I646-N683 PolarHBondContact O-ND2 2.86Å; I679-N683 HydrophobicContact CG2-CB 4.01Å; I679-N683 WeakPolarHBondContact O-CA 3.19Å; I679-N683 WeakPolarHBondContact O-CB 3.43Å; I679-N683 PolarHBondContact O-N 2.94Å; N683-F687 WeakPolarHBondContact O-CB 3.47Å; N683-A694 HydrophobicContact CB-CB 4.28Å; N683-A694 CarbonylContact O-C 3.56Å; N683-A694 WeakPolarHBondContact O-CA 3.35Å; N683-A695 WeakPolarHBondContact CB-O 3.49Å; N683-A695 PolarHBondContact ND2-O 3.17Å; N683-A695 PolarHBondContact O-N 3.26Å; N683-F698 HydrophobicContact CB-CB 4.46Å
684V98.4Very high96.8Very high0 Ų036.1 Ų36.10%018%0.182CC..Iπ-helixtrans-99.2-69.8178.8-176.50000110.7I679 Y680 N682 G686 F687 G690 A694 T745I679-V684 PolarHBondContact O-N 2.85Å; Y680-V684 HydrophobicContact CD2-CB 4.08Å; Y680-V684 HydrophobicContact CD2-CG1 4.14Å; Y680-V684 HydrophobicContact CD2-CG2 4.35Å; Y680-V684 HydrophobicContact CE2-CG1 4.13Å; Y680-V684 WeakPolarHBondContact O-CB 3.36Å; Y680-V684 PolarHBondContact O-N 3.28Å; N682-V684 VanDerWaalsContact C-N 3.26Å; N682-V684 PolarHBondContact O-N 2.88Å; V684-G686 PolarHBondContact O-N 3.31Å; V684-F687 CarbonylContact O-C 3.58Å; V684-F687 PolarHBondContact O-N 3.15Å; V684-F687 VanDerWaalsContact O-N 3.1Å; V684-G690 VanDerWaalsContact O-CA 3.25Å; V684-G690 WeakPolarHBondContact O-CA 3.2Å; V684-G690 PolarHBondContact O-N 2.99Å; V684-A694 HydrophobicContact CG2-CB 3.68Å; V684-T745 HydrophobicContact CG2-CG2 3.82Å
685M97.7Very high96.8Very high68 Ų6833.4 Ų33.434%0.33517%0.166SC..THydrogen-bonded Turntrans-71.3-34-173.6-64.5-53.1-60.700112.8Y680 F687 E689 Q744Y680-M685 HydrophobicContact CD1-CG 4.06Å; Y680-M685 HydrophobicContact CE1-CG 3.59Å; Y680-M685 HydrophobicContact CE1-SD 4.31Å; Y680-M685 HydrophobicContact CE2-CG 4.13Å; Y680-M685 HydrophobicContact CE2-SD 4.2Å; Y680-M685 PolarHBondContact O-N 3.32Å; M685-F687 PolarHBondContact O-N 2.93Å; M685-E689 WeakPolarHBondContact O-CA 3.48Å; M685-E689 PolarHBondContact O-N 2.81Å; M685-Q744 HydrophobicContact SD-CG 4.18Å
686G95.1Very high96.8Very high44 Ų4433.4 Ų33.445%0.45417%0.166SC..THydrogen-bonded Turntrans-69.5-9.5172.300000113.9D681 N682 V684D681-G686 PolarHBondContact O-N 3.38Å; D681-G686 VanDerWaalsContact O-N 3.14Å; N682-G686 CarbonylContact O-C 3.59Å; N682-G686 WeakPolarHBondContact O-CA 3.05Å; N682-G686 PolarHBondContact O-N 3.08Å; V684-G686 PolarHBondContact O-N 3.31Å
687F94.3Very high96.8Very high18 Ų1833.4 Ų33.48%0.07917%0.166CC..THydrogen-bonded Turntrans-120.2105.6179.4-171.8-122.5000112.1N683 V684 M685 E689 G690 I692 A695 V711 V721 G769N683-F687 WeakPolarHBondContact O-CB 3.47Å; V684-F687 CarbonylContact O-C 3.58Å; V684-F687 PolarHBondContact O-N 3.15Å; V684-F687 VanDerWaalsContact O-N 3.1Å; M685-F687 PolarHBondContact O-N 2.93Å; F687-E689 PolarHBondContact O-N 3.25Å; F687-E689 VanDerWaalsContact O-N 3.13Å; F687-G690 PolarHBondContact O-N 2.83Å; F687-I692 HydrophobicContact CD1-CG2 3.48Å; F687-I692 VanDerWaalsContact CD1-CG2 3.48Å; F687-I692 HydrophobicContact CE1-CG2 3.43Å; F687-I692 VanDerWaalsContact CE1-CG2 3.43Å; F687-I692 HydrophobicContact CZ-CG2 4.47Å; F687-A695 HydrophobicContact CB-CB 4.38Å; F687-A695 HydrophobicContact CD1-CB 3.84Å; F687-A695 HydrophobicContact CE1-CB 4.18Å; F687-A695 HydrophobicContact CG-CB 4Å; F687-V711 HydrophobicContact CB-CG2 4.47Å; F687-V711 HydrophobicContact CD2-CG2 3.16Å; F687-V711 HydrophobicContact CE2-CG2 3.42Å; F687-V711 VanDerWaalsContact CE2-CG2 3.42Å; F687-V711 HydrophobicContact CG-CG2 3.95Å; F687-V711 HydrophobicContact CZ-CG2 4.35Å; F687-V721 HydrophobicContact CD1-CG2 4.04Å; F687-V721 HydrophobicContact CE1-CG2 3.47Å; F687-V721 VanDerWaalsContact CE1-CG2 3.47Å; F687-V721 HydrophobicContact CZ-CG2 4.48Å; F687-G769 VanDerWaalsContact CZ-CA 3.46Å
688H93.4Very high96.7Very high91 Ų9129.8 Ų29.842%0.42115%0.15SC..G310 helixtrans51.433.7-176.1-64.5-89.7000114.1G690 N691 I692 G769H688-G690 PolarHBondContact O-N 2.81Å; H688-G690 VanDerWaalsContact O-N 3.16Å; H688-N691 VanDerWaalsContact O-CB 3.31Å; H688-N691 WeakPolarHBondContact O-CB 3.26Å; H688-N691 PolarHBondContact O-N 3.14Å; H688-N691 PolarHBondContact O-ND2 2.87Å; H688-I692 HydrophobicContact CB-CG2 4.08Å; H688-G769 PolarHBondContact CE1-O 2.9Å; H688-G769 WeakPolarHBondContact NE2-CA 3.39Å; H688-G769 PolarHBondContact NE2-O 2.99Å
689E94.4Very high96.6Very high142 Ų14226.6 Ų26.666%0.66414%0.14SC*.G310 helixtrans55.833.4178-53.4174.8161.100112.3M685 F687 N691M685-E689 WeakPolarHBondContact O-CA 3.48Å; M685-E689 PolarHBondContact O-N 2.81Å; F687-E689 PolarHBondContact O-N 3.25Å; F687-E689 VanDerWaalsContact O-N 3.13Å; E689-N691 VanDerWaalsContact C-N 3.27Å; E689-N691 PolarHBondContact O-N 3.48Å; E689-N691 PolarHBondContact O-ND2 3.29Å
690G94.5Very high95.9Very high0 Ų027.8 Ų27.80%015%0.15CC..G310 helixtrans72.711.7-178.600000114.9V684 F687 H688 I692 G748V684-G690 VanDerWaalsContact O-CA 3.25Å; V684-G690 WeakPolarHBondContact O-CA 3.2Å; V684-G690 PolarHBondContact O-N 2.99Å; F687-G690 PolarHBondContact O-N 2.83Å; H688-G690 PolarHBondContact O-N 2.81Å; H688-G690 VanDerWaalsContact O-N 3.16Å; G690-I692 VanDerWaalsContact C-N 3.29Å; G690-I692 PolarHBondContact O-N 2.87Å; G690-G748 WeakPolarHBondContact O-CA 3.11Å
691N93Very high95.1Very high32 Ų3226.9 Ų26.917%0.17115%0.147CC..SBendtrans-84.77.8-176.1-69.9-80.3000114.7H688 E689 G748 T752 R756H688-N691 VanDerWaalsContact O-CB 3.31Å; H688-N691 WeakPolarHBondContact O-CB 3.26Å; H688-N691 PolarHBondContact O-N 3.14Å; H688-N691 PolarHBondContact O-ND2 2.87Å; E689-N691 VanDerWaalsContact C-N 3.27Å; E689-N691 PolarHBondContact O-N 3.48Å; E689-N691 PolarHBondContact O-ND2 3.29Å; N691-G748 CarbonylContact C-O 3.52Å; N691-G748 CarbonylContact O-C 3.54Å; N691-T752 PolarHBondContact O-OG1 3.07Å; N691-R756 PolarHBondContact O-NH1 3.2Å
692I94.5Very high94Very high10 Ų1027 Ų275%0.05116%0.157CC..SBendtrans-135.3-5.3-179.9-168.6159000113.8F687 H688 G690 V721 M749 T752 L767 Y768F687-I692 HydrophobicContact CD1-CG2 3.48Å; F687-I692 VanDerWaalsContact CD1-CG2 3.48Å; F687-I692 HydrophobicContact CE1-CG2 3.43Å; F687-I692 VanDerWaalsContact CE1-CG2 3.43Å; F687-I692 HydrophobicContact CZ-CG2 4.47Å; H688-I692 HydrophobicContact CB-CG2 4.08Å; G690-I692 VanDerWaalsContact C-N 3.29Å; G690-I692 PolarHBondContact O-N 2.87Å; I692-V721 HydrophobicContact CG2-CG2 4.34Å; I692-M749 WeakPolarHBondContact O-CE 3.29Å; I692-T752 HydrophobicContact CD1-CG2 4.1Å; I692-T752 HydrophobicContact CG1-CG2 4.03Å; I692-L767 HydrophobicContact CD1-CB 4.37Å; I692-L767 HydrophobicContact CG1-CD1 4.3Å; I692-Y768 WeakPolarHBondContact CD1-O 3.21Å
693G96.5Very high92.8Very high0 Ų028.3 Ų28.30%017%0.168CC..  trans108.6-146.7-171.700000111.4
694A98.2Very high91.8Very high1 Ų132 Ų321%0.00819%0.185CC..  trans-115.7121.1-177.300000111A648 N683 V684 N696 V721 V726 L729A648-A694 HydrophobicContact CB-CB 4.22Å; N683-A694 HydrophobicContact CB-CB 4.28Å; N683-A694 CarbonylContact O-C 3.56Å; N683-A694 WeakPolarHBondContact O-CA 3.35Å; V684-A694 HydrophobicContact CG2-CB 3.68Å; A694-N696 PolarHBondContact O-N 2.97Å; A694-V721 WeakPolarHBondContact O-CG1 3.25Å; A694-V726 HydrophobicContact CB-CG2 4.15Å; A694-L729 HydrophobicContact CB-CD2 3.8Å
695A97.9Very high90.7Very high0 Ų037.5 Ų37.50%022%0.221CC..  trans-61.3135.9167.700000109.6N683 F687 G697 V711N683-A695 WeakPolarHBondContact CB-O 3.49Å; N683-A695 PolarHBondContact ND2-O 3.17Å; N683-A695 PolarHBondContact O-N 3.26Å; F687-A695 HydrophobicContact CB-CB 4.38Å; F687-A695 HydrophobicContact CD1-CB 3.84Å; F687-A695 HydrophobicContact CE1-CB 4.18Å; F687-A695 HydrophobicContact CG-CB 4Å; A695-G697 VanDerWaalsContact C-N 3.31Å; A695-G697 PolarHBondContact O-N 3.48Å; A695-V711 HydrophobicContact CB-CG1 4.29Å; A695-V711 HydrophobicContact CB-CG2 4.07Å
696N98.4Very high89.9Confident1 Ų140.7 Ų40.71%0.00524%0.244CC..SBendtrans-58.9-43.3-176.2-77.5-23.4000111.7Y574 W577 M647 A648 A694 Q717 E720 W722Y574-N696 HydrophobicContact CE1-CB 4.44Å; W577-N696 HydrophobicContact CZ3-CB 3.99Å; M647-N696 CarbonylContact C-O 3.49Å; M647-N696 VanDerWaalsContact CA-O 3.31Å; M647-N696 WeakPolarHBondContact CA-O 3.22Å; A648-N696 PolarHBondContact N-O 2.82Å; A694-N696 PolarHBondContact O-N 2.97Å; N696-Q717 WeakPolarHBondContact CB-O 3.37Å; N696-Q717 PolarHBondContact ND2-O 3.3Å; N696-E720 WeakPolarHBondContact CB-O 3.38Å; N696-E720 VanDerWaalsContact CG-O 3.27Å; N696-E720 PolarHBondContact N-O 2.64Å; N696-E720 PolarHBondContact ND2-O 3.47Å; N696-W722 VanDerWaalsContact ND2-CD1 3.32Å; N696-W722 PolarHBondContact ND2-NE1 2.9Å
697G97.9Very high89.4Confident0 Ų043.9 Ų43.90%025%0.246CC..EExtended strand (participates in β ladder)trans-121.4132.7176.400000112.7A695 D712 A718A695-G697 VanDerWaalsContact C-N 3.31Å; A695-G697 PolarHBondContact O-N 3.48Å; G697-D712 PolarHBondContact O-N 2.81Å; G697-A718 PolarHBondContact N-O 2.79Å
698F97.3Very high88.9Confident6 Ų648.2 Ų48.23%0.02628%0.276CS..EExtended strand (participates in β ladder)trans-134.5128.2173.9-164.6-81.4000110.8I646 N682 N683 V711I646-F698 PolarHBondContact N-O 3.06Å; I646-F698 PolarHBondContact O-N 3.35Å; N682-F698 HydrophobicContact CB-CB 4.37Å; N682-F698 HydrophobicContact CB-CD1 3.52Å; N682-F698 HydrophobicContact CB-CE1 3.84Å; N682-F698 HydrophobicContact CB-CG 3.95Å; N682-F698 VanDerWaalsContact O-CD2 3.29Å; N682-F698 WeakPolarHBondContact O-CD2 3.41Å; N682-F698 VanDerWaalsContact O-CE2 3.29Å; N682-F698 WeakPolarHBondContact O-CE2 3.18Å; N683-F698 HydrophobicContact CB-CB 4.46Å; F698-V711 HydrophobicContact CD2-CG2 4.26Å
699I95.3Very high88.8Confident27 Ų2745.6 Ų45.614%0.13827%0.273CS..EExtended strand (participates in β ladder)trans-89.5109.6177-60.5-175.7000108.5D644 N701 G709 H710 D712D644-I699 HydrophobicContact CB-CG2 4.06Å; I699-N701 WeakPolarHBondContact CG2-OD1 3.4Å; I699-N701 PolarHBondContact O-N 2.93Å; I699-G709 CarbonylContact O-C 3.13Å; I699-G709 WeakPolarHBondContact O-CA 3.33Å; I699-H710 PolarHBondContact N-O 3.04Å; I699-H710 PolarHBondContact O-N 3.02Å; I699-D712 HydrophobicContact CD1-CB 4.23Å; I699-D712 HydrophobicContact CG1-CB 3.87Å
700A84Confident88.8Confident26 Ų2642.4 Ų42.422%0.21526%0.258CS..  trans-74.2-13.9179.300000113.8D644 I646 A702D644-A700 PolarHBondContact O-N 2.83Å; I646-A700 HydrophobicContact CD1-CB 3.68Å; I646-A700 HydrophobicContact CG1-CB 4.35Å; A700-A702 PolarHBondContact O-N 3.17Å
701N83.1Confident88.8Confident15 Ų1543.7 Ų43.78%0.0827%0.266CS..  trans53.136.7-170.9-74.7-46.3000113.2I699 S703 E704 K707 P708I699-N701 WeakPolarHBondContact CG2-OD1 3.4Å; I699-N701 PolarHBondContact O-N 2.93Å; N701-S703 PolarHBondContact O-N 3.27Å; N701-E704 CarbonylContact O-C 3.52Å; N701-E704 PolarHBondContact O-N 3.5Å; N701-K707 HydrophobicContact CB-CB 4.25Å; N701-P708 PolarHBondContact ND2-O 2.94Å
702A74.1Confident88.9Confident63 Ų6342.2 Ų42.252%0.52126%0.258SS..THydrogen-bonded Turntrans-58.9-32.3178.600000112.4A700A700-A702 PolarHBondContact O-N 3.17Å
703S71.4Confident88.8Confident51 Ų5147 Ų4736%0.35728%0.284SS..THydrogen-bonded Turntrans-78.4-16.8174.568.20000115.2R643 D644 N701R643-S703 PolarHBondContact NE-OG 3.17Å; R643-S703 PolarHBondContact NH2-OG 2.84Å; D644-S703 VanDerWaalsContact CG-OG 3.27Å; D644-S703 WeakPolarHBondContact OD1-CB 3.23Å; D644-S703 PolarHBondContact OD1-N 3.06Å; D644-S703 VanDerWaalsContact OD1-N 3.11Å; D644-S703 PolarHBondContact OD1-OG 2.74Å; D644-S703 WeakPolarHBondContact OD2-CB 3.28Å; D644-S703 PolarHBondContact OD2-OG 3.45Å; N701-S703 PolarHBondContact O-N 3.27Å
704E77.5Confident88.5Confident77 Ų7750.5 Ų50.536%0.3631%0.308SS..  trans-137.871.3179.2-69.1-174.4-159.500111.5R643 N701 T706 K707R643-E704 IonicContact NH2-OE1 3.73Å; N701-E704 CarbonylContact O-C 3.52Å; N701-E704 PolarHBondContact O-N 3.5Å; E704-T706 PolarHBondContact O-N 3.32Å; E704-K707 PolarHBondContact O-N 2.75Å; E704-K707 WeakPolarHBondContact OE2-CD 3.13Å; E704-K707 WeakPolarHBondContact OE2-CE 3.28Å; E704-K707 IonicContact OE2-NZ 2.67Å; E704-K707 PolarHBondContact OE2-NZ 3.14Å
705P75.6Confident88.3Confident115 Ų11552 Ų5275%0.74732%0.316SS*.THydrogen-bonded Turntrans-62.2-10.2-168-23.533.8000115.9K707P705-K707 VanDerWaalsContact C-N 3.31Å
706T82.3Confident88.1Confident136 Ų13656.2 Ų56.283%0.83434%0.337SS*.THydrogen-bonded Turntrans-78-14.8175.454.60000113.2E704E704-T706 PolarHBondContact O-N 3.32Å
707K83.6Confident88Confident110 Ų11056.4 Ų56.448%0.47834%0.338SS..SBendtrans-97.5135.3176.4-71.6179.1178.5164.60110N701 E704 P705N701-K707 HydrophobicContact CB-CB 4.25Å; E704-K707 PolarHBondContact O-N 2.75Å; E704-K707 WeakPolarHBondContact OE2-CD 3.13Å; E704-K707 WeakPolarHBondContact OE2-CE 3.28Å; E704-K707 IonicContact OE2-NZ 2.67Å; E704-K707 PolarHBondContact OE2-NZ 3.14Å; P705-K707 VanDerWaalsContact C-N 3.31Å
708P84.9Confident87.9Confident110 Ų11056.4 Ų56.471%0.71434%0.338SS*.PPolyproline II helixtrans-64.1146.917428.9-34.1000110.1N701N701-P708 PolarHBondContact ND2-O 2.94Å
709G91.3Very high87.9Confident35 Ų3559.7 Ų59.736%0.36135%0.354SS..PPolyproline II helixtrans-62.4152.5170.500000111.3I699I699-G709 CarbonylContact O-C 3.13Å; I699-G709 WeakPolarHBondContact O-CA 3.33Å
710H93.9Very high88Confident75 Ų7558.4 Ų58.435%0.34735%0.347SS..EExtended strand (participates in β ladder)trans-153.4164.3179.364.487.2000111.2I699I699-H710 PolarHBondContact N-O 3.04Å; I699-H710 PolarHBondContact O-N 3.02Å
711V94.4Very high88.6Confident27 Ų2757.1 Ų57.116%0.16434%0.337CS..EExtended strand (participates in β ladder)trans-59.7138.9172.4176.60000110.6F687 A695 F698 N713 E719F687-V711 HydrophobicContact CB-CG2 4.47Å; F687-V711 HydrophobicContact CD2-CG2 3.16Å; F687-V711 HydrophobicContact CE2-CG2 3.42Å; F687-V711 VanDerWaalsContact CE2-CG2 3.42Å; F687-V711 HydrophobicContact CG-CG2 3.95Å; F687-V711 HydrophobicContact CZ-CG2 4.35Å; A695-V711 HydrophobicContact CB-CG1 4.29Å; A695-V711 HydrophobicContact CB-CG2 4.07Å; F698-V711 HydrophobicContact CD2-CG2 4.26Å; V711-N713 PolarHBondContact O-N 3.38Å; V711-E719 HydrophobicContact CG1-CB 4.21Å; V711-E719 HydrophobicContact CG1-CG 4.21Å
712D94.6Very high89.4Confident2 Ų256.5 Ų56.51%0.01133%0.333CS..  trans-70.4112.4176.3-170.8-17.8000110T645 G697 I699 S714 A718 E719T645-D712 HydrophobicContact CG2-CB 4.48Å; T645-D712 WeakPolarHBondContact CG2-OD2 3.38Å; T645-D712 PolarHBondContact OG1-OD2 2.84Å; G697-D712 PolarHBondContact O-N 2.81Å; I699-D712 HydrophobicContact CD1-CB 4.23Å; I699-D712 HydrophobicContact CG1-CB 3.87Å; D712-S714 WeakPolarHBondContact OD1-CB 3.33Å; D712-S714 PolarHBondContact OD1-N 2.87Å; D712-S714 PolarHBondContact OD1-OG 3.15Å; D712-A718 HydrophobicContact CB-CB 3.96Å; D712-A718 CarbonylContact O-C 3.13Å; D712-A718 WeakPolarHBondContact O-CB 3.39Å; D712-E719 WeakPolarHBondContact O-CG 3.29Å; D712-E719 PolarHBondContact O-N 3.21Å
713N92.2Very high90.5Very high110 Ų11053.5 Ų53.559%0.58831%0.308SS*.  trans-103.819-179.961.84.9000113V711 N715 E719V711-N713 PolarHBondContact O-N 3.38Å; N713-N715 VanDerWaalsContact C-N 3.26Å; N713-E719 WeakPolarHBondContact CA-OE1 3.33Å; N713-E719 HydrophobicContact CB-CG 4.13Å
714S90.1Very high91.8Very high73 Ų7351 Ų5151%0.5129%0.291SS..SBendtrans-73.8-20173.966.20000112.7D712D712-S714 WeakPolarHBondContact OD1-CB 3.33Å; D712-S714 PolarHBondContact OD1-N 2.87Å; D712-S714 PolarHBondContact OD1-OG 3.15Å
715N93.8Very high92.8Very high34 Ų3447.5 Ų47.518%0.18228%0.275CS..SBendtrans-150.2145.3-179.5-163-88.8000111.6S576 W577 N713 Q717 A718 E719S576-N715 PolarHBondContact O-ND2 2.87Å; S576-N715 PolarHBondContact OG-OD1 2.85Å; W577-N715 HydrophobicContact CG-CB 4.26Å; N713-N715 VanDerWaalsContact C-N 3.26Å; N715-Q717 VanDerWaalsContact C-N 3.25Å; N715-Q717 PolarHBondContact O-N 2.7Å; N715-Q717 PolarHBondContact OD1-N 3.49Å; N715-A718 HydrophobicContact CB-CB 4.12Å; N715-A718 WeakPolarHBondContact O-CB 3.22Å; N715-A718 PolarHBondContact O-N 2.99Å; N715-E719 PolarHBondContact O-N 3.13Å
716I94.2Very high93.9Very high87 Ų8742 Ų4245%0.44624%0.239SC..Hα-helixtrans-57.5-39178.9-166.7170.4000112.2A718 E719 E720 Y768I716-A718 VanDerWaalsContact C-N 3.32Å; I716-A718 PolarHBondContact O-N 3.1Å; I716-E719 PolarHBondContact O-N 2.89Å; I716-E720 VanDerWaalsContact O-CG 3.28Å; I716-E720 WeakPolarHBondContact O-CG 3.42Å; I716-E720 PolarHBondContact O-N 2.83Å; I716-Y768 HydrophobicContact CD1-CE1 4.38Å; I716-Y768 WeakPolarHBondContact CD1-OH 3.31Å; I716-Y768 HydrophobicContact CG1-CE1 3.84Å
717Q96.9Very high94.7Very high5 Ų535.5 Ų35.52%0.02320%0.2CC..Hα-helixtrans-74.8-22.5179.6-72.7176.6-21.700113.1Y574 D575 S576 W577 N696 N715 E719 W722Y574-Q717 PolarHBondContact O-OE1 2.77Å; D575-Q717 PolarHBondContact OD1-NE2 3.14Å; S576-Q717 WeakPolarHBondContact OG-CG 3.26Å; S576-Q717 PolarHBondContact OG-OE1 3.05Å; S576-Q717 VanDerWaalsContact OG-OE1 3.09Å; W577-Q717 HydrophobicContact CB-CB 4.31Å; W577-Q717 VanDerWaalsContact N-OE1 3.11Å; N696-Q717 WeakPolarHBondContact CB-O 3.37Å; N696-Q717 PolarHBondContact ND2-O 3.3Å; N715-Q717 VanDerWaalsContact C-N 3.25Å; N715-Q717 PolarHBondContact O-N 2.7Å; N715-Q717 PolarHBondContact OD1-N 3.49Å; Q717-E719 VanDerWaalsContact C-N 3.34Å; Q717-W722 HydrophobicContact CB-CZ2 4.24Å; Q717-W722 HydrophobicContact CG-CZ2 3.89Å
718A96.8Very high95.4Very high0 Ų030.3 Ų30.30%018%0.177CC..Hα-helixtrans-71.8-33.1173.700000111.2W577 G697 D712 N715 I716 E720W577-A718 HydrophobicContact CD2-CB 4.03Å; W577-A718 HydrophobicContact CE3-CB 4.39Å; W577-A718 HydrophobicContact CH2-CB 3.96Å; W577-A718 HydrophobicContact CZ2-CB 3.51Å; W577-A718 HydrophobicContact CZ3-CB 4.37Å; G697-A718 PolarHBondContact N-O 2.79Å; D712-A718 HydrophobicContact CB-CB 3.96Å; D712-A718 CarbonylContact O-C 3.13Å; D712-A718 WeakPolarHBondContact O-CB 3.39Å; N715-A718 HydrophobicContact CB-CB 4.12Å; N715-A718 WeakPolarHBondContact O-CB 3.22Å; N715-A718 PolarHBondContact O-N 2.99Å; I716-A718 VanDerWaalsContact C-N 3.32Å; I716-A718 PolarHBondContact O-N 3.1Å; A718-E720 VanDerWaalsContact C-N 3.33Å
719E95.6Very high96.1Very high75 Ų7525.4 Ų25.435%0.3515%0.145SC..Hα-helixtrans-75.4-20.8177.3-63.4-179.1-135.800114V711 D712 N713 N715 I716 Q717V711-E719 HydrophobicContact CG1-CB 4.21Å; V711-E719 HydrophobicContact CG1-CG 4.21Å; D712-E719 WeakPolarHBondContact O-CG 3.29Å; D712-E719 PolarHBondContact O-N 3.21Å; N713-E719 WeakPolarHBondContact CA-OE1 3.33Å; N713-E719 HydrophobicContact CB-CG 4.13Å; N715-E719 PolarHBondContact O-N 3.13Å; I716-E719 PolarHBondContact O-N 2.89Å; Q717-E719 VanDerWaalsContact C-N 3.34Å
720E97.6Very high96.5Very high0 Ų023.8 Ų23.80%013%0.128CC..  trans-76.4156.7-174.6-78.4169.5171.700113N696 I716 A718 W722 A766 L767 Y768 R774N696-E720 WeakPolarHBondContact CB-O 3.38Å; N696-E720 VanDerWaalsContact CG-O 3.27Å; N696-E720 PolarHBondContact N-O 2.64Å; N696-E720 PolarHBondContact ND2-O 3.47Å; I716-E720 VanDerWaalsContact O-CG 3.28Å; I716-E720 WeakPolarHBondContact O-CG 3.42Å; I716-E720 PolarHBondContact O-N 2.83Å; A718-E720 VanDerWaalsContact C-N 3.33Å; E720-W722 PolarHBondContact OE2-NE1 3.08Å; E720-A766 HydrophobicContact CB-CB 4Å; E720-A766 HydrophobicContact CG-CB 3.8Å; E720-L767 CarbonylContact C-O 3.56Å; E720-L767 WeakPolarHBondContact CA-O 3.35Å; E720-Y768 HydrophobicContact CG-CD1 3.92Å; E720-Y768 HydrophobicContact CG-CE1 3.35Å; E720-Y768 HydrophobicContact CG-CE2 4.45Å; E720-Y768 VanDerWaalsContact OE1-CZ 3.27Å; E720-Y768 PolarHBondContact OE1-OH 3.49Å; E720-R774 IonicContact OE1-CZ 2.78Å; E720-R774 IonicContact OE1-NE 3.97Å; E720-R774 PolarHBondContact OE1-NE 2.93Å; E720-R774 IonicContact OE1-NH2 3.39Å; E720-R774 PolarHBondContact OE1-NH2 3.17Å; E720-R774 IonicContact OE2-CZ 2.83Å; E720-R774 IonicContact OE2-NE 3.65Å; E720-R774 IonicContact OE2-NH2 2.72Å; E720-R774 PolarHBondContact OE2-NH2 3.48Å
721V97.9Very high96.7Very high0 Ų020.2 Ų20.20%011%0.111CC..BIsolated β-bridgetrans-112.4114.9164.9-178.30000107.9F687 I692 A694 P723 V726 M749 A766 L767F687-V721 HydrophobicContact CD1-CG2 4.04Å; F687-V721 HydrophobicContact CE1-CG2 3.47Å; F687-V721 VanDerWaalsContact CE1-CG2 3.47Å; F687-V721 HydrophobicContact CZ-CG2 4.48Å; I692-V721 HydrophobicContact CG2-CG2 4.34Å; A694-V721 WeakPolarHBondContact O-CG1 3.25Å; V721-P723 WeakPolarHBondContact O-CD 3.23Å; V721-V726 HydrophobicContact CG1-CG2 3.49Å; V721-V726 VanDerWaalsContact CG1-CG2 3.49Å; V721-M749 HydrophobicContact CB-CE 4.28Å; V721-M749 HydrophobicContact CG1-CE 3.23Å; V721-A766 CarbonylContact O-C 3.58Å; V721-A766 WeakPolarHBondContact O-CA 3.22Å; V721-L767 HydrophobicContact CB-CB 4.43Å; V721-L767 PolarHBondContact N-O 2.81Å; V721-L767 PolarHBondContact O-N 3.07Å
722W98.5Very high96.9Very high1 Ų119.1 Ų19.10%0.00411%0.105CC..  trans-93.9113.4177.7-66.31.5000110.4T573 Y574 N696 Q717 E720 G724 V725 V726 E765 A766T573-W722 HydrophobicContact CG2-CZ3 4.31Å; Y574-W722 HydrophobicContact CD1-CE3 4.15Å; Y574-W722 AromaticContact CD1-CH2 3.31Å; Y574-W722 HydrophobicContact CD1-CH2 3.31Å; Y574-W722 AromaticContact CD1-CZ2 3.79Å; Y574-W722 HydrophobicContact CD1-CZ2 3.79Å; Y574-W722 AromaticContact CD1-CZ3 3.5Å; Y574-W722 HydrophobicContact CD1-CZ3 3.5Å; Y574-W722 VanDerWaalsContact CD1-CZ3 3.5Å; Y574-W722 HydrophobicContact CD2-CZ3 4.36Å; Y574-W722 HydrophobicContact CE1-CD2 4.15Å; Y574-W722 AromaticContact CE1-CE3 3.63Å; Y574-W722 HydrophobicContact CE1-CE3 3.63Å; Y574-W722 AromaticContact CE1-CH2 3.7Å; Y574-W722 HydrophobicContact CE1-CH2 3.7Å; Y574-W722 HydrophobicContact CE1-CZ2 4.17Å; Y574-W722 AromaticContact CE1-CZ3 3.38Å; Y574-W722 HydrophobicContact CE1-CZ3 3.38Å; Y574-W722 HydrophobicContact CE2-CZ3 4.25Å; Y574-W722 AromaticContact CG-CH2 3.79Å; Y574-W722 HydrophobicContact CG-CH2 3.79Å; Y574-W722 AromaticContact CG-CZ3 4Å; Y574-W722 HydrophobicContact CG-CZ3 4Å; Y574-W722 AromaticContact CZ-CZ3 3.78Å; N696-W722 VanDerWaalsContact ND2-CD1 3.32Å; N696-W722 PolarHBondContact ND2-NE1 2.9Å; Q717-W722 HydrophobicContact CB-CZ2 4.24Å; Q717-W722 HydrophobicContact CG-CZ2 3.89Å; E720-W722 PolarHBondContact OE2-NE1 3.08Å; W722-G724 PolarHBondContact O-N 2.67Å; W722-G724 VanDerWaalsContact O-N 3.13Å; W722-V725 HydrophobicContact CB-CB 3.99Å; W722-V725 HydrophobicContact CB-CG2 3.82Å; W722-V725 HydrophobicContact CD2-CG2 4.37Å; W722-V725 HydrophobicContact CE3-CG2 3.67Å; W722-V725 HydrophobicContact CG-CG2 4.48Å; W722-V725 PolarHBondContact O-N 3.44Å; W722-V726 WeakPolarHBondContact O-CG2 3.27Å; W722-V726 PolarHBondContact O-N 3.31Å; W722-E765 VanDerWaalsContact CA-O 3.25Å; W722-E765 WeakPolarHBondContact CA-O 3.39Å; W722-A766 VanDerWaalsContact CD1-CB 3.5Å
723P98.2Very high97.1Very high0 Ų019 Ų190%010%0.104CC..Hα-helixtrans-55.9-36.4-177-23.534000112.7V721 V725 V726 Y727 M749 T763 P764 E765 P781V721-P723 WeakPolarHBondContact O-CD 3.23Å; P723-V725 PolarHBondContact O-N 3.47Å; P723-V726 PolarHBondContact O-N 2.81Å; P723-Y727 HydrophobicContact CB-CE2 4.29Å; P723-Y727 WeakPolarHBondContact O-CD2 3.46Å; P723-Y727 PolarHBondContact O-N 3.32Å; P723-M749 HydrophobicContact CB-CE 4.02Å; P723-M749 HydrophobicContact CB-CG 4.06Å; P723-M749 HydrophobicContact CB-SD 3.85Å; P723-M749 HydrophobicContact CG-CE 3.83Å; P723-M749 HydrophobicContact CG-SD 3.73Å; P723-T763 HydrophobicContact CB-CG2 4.31Å; P723-T763 HydrophobicContact CG-CG2 4.36Å; P723-P764 WeakPolarHBondContact CG-O 3.42Å; P723-E765 WeakPolarHBondContact CD-O 3.48Å; P723-P781 HydrophobicContact CB-CB 4.38Å; P723-P781 HydrophobicContact CB-CG 4.14Å
724G98.4Very high97.4Very high0 Ų013.8 Ų13.80%08%0.076CC..Hα-helixtrans-62.3-40.617500000114.3W722 A728 R780 S783W722-G724 PolarHBondContact O-N 2.67Å; W722-G724 VanDerWaalsContact O-N 3.13Å; G724-A728 PolarHBondContact O-N 3.35Å; G724-R780 WeakPolarHBondContact CA-O 3.45Å; G724-S783 VanDerWaalsContact CA-OG 3.26Å; G724-S783 WeakPolarHBondContact CA-OG 3.37Å; G724-S783 WeakPolarHBondContact O-CB 3.44Å; G724-S783 PolarHBondContact O-OG 3.47Å
725V98.8Very high97.8Very high2 Ų211 Ų111%0.0126%0.055CC..Hα-helixtrans-72.2-39.5176176.20000110.5Y377 Y574 D649 W722 P723 Y727 A728 L729Y377-V725 HydrophobicContact CE1-CG2 4.23Å; Y574-V725 WeakPolarHBondContact OH-CG2 3.24Å; D649-V725 HydrophobicContact CB-CG1 3.91Å; W722-V725 HydrophobicContact CB-CB 3.99Å; W722-V725 HydrophobicContact CB-CG2 3.82Å; W722-V725 HydrophobicContact CD2-CG2 4.37Å; W722-V725 HydrophobicContact CE3-CG2 3.67Å; W722-V725 HydrophobicContact CG-CG2 4.48Å; W722-V725 PolarHBondContact O-N 3.44Å; P723-V725 PolarHBondContact O-N 3.47Å; V725-Y727 VanDerWaalsContact C-N 3.35Å; V725-Y727 PolarHBondContact O-N 2.95Å; V725-A728 PolarHBondContact O-N 3.02Å; V725-L729 WeakPolarHBondContact O-CB 3.32Å; V725-L729 PolarHBondContact O-N 3.44Å
726V98.8Very high98Very high0 Ų09.9 Ų9.90%05%0.049CC..Hα-helixtrans-58.2-45.8176.8171.30000111.7A694 V721 W722 P723 L729 A730 T745 M749A694-V726 HydrophobicContact CB-CG2 4.15Å; V721-V726 HydrophobicContact CG1-CG2 3.49Å; V721-V726 VanDerWaalsContact CG1-CG2 3.49Å; W722-V726 WeakPolarHBondContact O-CG2 3.27Å; W722-V726 PolarHBondContact O-N 3.31Å; P723-V726 PolarHBondContact O-N 2.81Å; V726-L729 PolarHBondContact O-N 3.37Å; V726-A730 WeakPolarHBondContact O-CB 3.12Å; V726-A730 PolarHBondContact O-N 2.9Å; V726-T745 HydrophobicContact CG1-CG2 3.83Å; V726-M749 HydrophobicContact CB-CE 4.45Å; V726-M749 HydrophobicContact CG1-CB 4.06Å; V726-M749 HydrophobicContact CG2-CE 4.04Å
727Y98.9Very high98.1Very high0 Ų06.9 Ų6.90%04%0.039CC..Hα-helixtrans-69.6-35.4177.9-66.5-44.3000112.8P723 V725 A730 A731 A746 M749 P781 S783 I784 M787P723-Y727 HydrophobicContact CB-CE2 4.29Å; P723-Y727 WeakPolarHBondContact O-CD2 3.46Å; P723-Y727 PolarHBondContact O-N 3.32Å; V725-Y727 VanDerWaalsContact C-N 3.35Å; V725-Y727 PolarHBondContact O-N 2.95Å; Y727-A730 PolarHBondContact O-N 2.94Å; Y727-A731 WeakPolarHBondContact O-CB 3.47Å; Y727-A731 PolarHBondContact O-N 2.81Å; Y727-A746 HydrophobicContact CD1-CB 3.92Å; Y727-A746 HydrophobicContact CE1-CB 4.06Å; Y727-M749 HydrophobicContact CE1-CG 4.33Å; Y727-P781 WeakPolarHBondContact CD2-O 3.4Å; Y727-P781 HydrophobicContact CE2-CB 4.35Å; Y727-S783 WeakPolarHBondContact CB-OG 3.37Å; Y727-I784 HydrophobicContact CD1-CB 4.17Å; Y727-I784 HydrophobicContact CD1-CD1 4.24Å; Y727-I784 HydrophobicContact CD1-CG1 4.07Å; Y727-I784 HydrophobicContact CD2-CB 3.78Å; Y727-I784 HydrophobicContact CE1-CB 4.48Å; Y727-I784 HydrophobicContact CE1-CD1 3.87Å; Y727-I784 HydrophobicContact CE1-CG1 4.22Å; Y727-I784 HydrophobicContact CE2-CB 4.11Å; Y727-I784 HydrophobicContact CE2-CD1 4.43Å; Y727-I784 HydrophobicContact CG-CB 3.83Å; Y727-I784 HydrophobicContact CG-CG1 4.24Å; Y727-M787 HydrophobicContact CD1-SD 3.96Å
728A98.8Very high98.1Very high1 Ų16.8 Ų6.81%0.0084%0.039CC..Hα-helixtrans-66.1-41.5173.100000112Y377 W655 G724 V725 A731 T732Y377-A728 HydrophobicContact CD1-CB 4.04Å; Y377-A728 HydrophobicContact CE1-CB 4.43Å; W655-A728 HydrophobicContact CD2-CB 4.03Å; W655-A728 HydrophobicContact CE3-CB 4.08Å; W655-A728 HydrophobicContact CH2-CB 3.91Å; W655-A728 HydrophobicContact CZ2-CB 3.84Å; W655-A728 HydrophobicContact CZ3-CB 4Å; G724-A728 PolarHBondContact O-N 3.35Å; V725-A728 PolarHBondContact O-N 3.02Å; A728-A731 WeakPolarHBondContact O-CB 2.78Å; A728-A731 PolarHBondContact O-N 3.37Å; A728-T732 PolarHBondContact O-N 3.5Å; A728-T732 PolarHBondContact O-OG1 2.92Å
729L98.9Very high98.2Very high7 Ų79.7 Ų9.74%0.0375%0.052CC..Hα-helixtrans-61.2-45.6172.8175.661.3000111.3A648 L676 I679 A694 V725 V726 A731 T732 M733 T745A648-L729 HydrophobicContact CB-CD2 4.41Å; L676-L729 HydrophobicContact CD2-CD1 3.82Å; I679-L729 HydrophobicContact CD1-CD1 4.43Å; I679-L729 HydrophobicContact CG2-CD1 4.13Å; I679-L729 HydrophobicContact CG2-CD2 3.63Å; A694-L729 HydrophobicContact CB-CD2 3.8Å; V725-L729 WeakPolarHBondContact O-CB 3.32Å; V725-L729 PolarHBondContact O-N 3.44Å; V726-L729 PolarHBondContact O-N 3.37Å; L729-A731 VanDerWaalsContact C-N 3.31Å; L729-A731 PolarHBondContact O-N 2.99Å; L729-T732 WeakPolarHBondContact O-CB 3.34Å; L729-T732 PolarHBondContact O-N 3.04Å; L729-T732 VanDerWaalsContact O-N 3.11Å; L729-M733 HydrophobicContact CD1-CE 4.01Å; L729-M733 HydrophobicContact CD2-CE 4.19Å; L729-M733 HydrophobicContact CG-CE 3.94Å; L729-M733 WeakPolarHBondContact O-CG 3.18Å; L729-M733 PolarHBondContact O-N 2.95Å; L729-T745 HydrophobicContact CD2-CG2 4.41Å
730A98.9Very high98.3Very high0 Ų014.1 Ų14.10%07%0.072CC..Hα-helixtrans-61.3-39.7175.100000111.9V726 Y727 T732 M733 I734 A742 A746 M787V726-A730 WeakPolarHBondContact O-CB 3.12Å; V726-A730 PolarHBondContact O-N 2.9Å; Y727-A730 PolarHBondContact O-N 2.94Å; A730-T732 VanDerWaalsContact C-N 3.31Å; A730-T732 PolarHBondContact O-N 3.31Å; A730-M733 PolarHBondContact O-N 2.81Å; A730-I734 WeakPolarHBondContact O-CG1 3.45Å; A730-I734 PolarHBondContact O-N 2.84Å; A730-A742 HydrophobicContact CB-CB 4.28Å; A730-A742 WeakPolarHBondContact O-CB 3.41Å; A730-A746 HydrophobicContact CB-CB 3.97Å; A730-M787 HydrophobicContact CB-CE 4.04Å; A730-M787 HydrophobicContact CB-CG 4.19Å; A730-M787 HydrophobicContact CB-SD 3.87Å
731A98.8Very high98.3Very high0 Ų015.9 Ų15.90%08%0.081CC..Hα-helixtrans-61.2-40.617300000112Y727 A728 L729 I734 Q735 S786 M787Y727-A731 WeakPolarHBondContact O-CB 3.47Å; Y727-A731 PolarHBondContact O-N 2.81Å; A728-A731 WeakPolarHBondContact O-CB 2.78Å; A728-A731 PolarHBondContact O-N 3.37Å; L729-A731 VanDerWaalsContact C-N 3.31Å; L729-A731 PolarHBondContact O-N 2.99Å; A731-I734 WeakPolarHBondContact O-CB 3.35Å; A731-I734 PolarHBondContact O-N 3.41Å; A731-Q735 WeakPolarHBondContact O-CG 3.46Å; A731-Q735 PolarHBondContact O-N 2.99Å; A731-S786 VanDerWaalsContact CB-C 3.48Å; A731-S786 WeakPolarHBondContact CB-O 3.27Å; A731-M787 HydrophobicContact CB-CG 4.11Å
732T98.7Very high98.4Very high5 Ų515.9 Ų15.93%0.0318%0.081CC..Hα-helixtrans-63.2-43.3176-460000111.7W655 L676 A728 L729 A730 I734 Q735 E736W655-T732 HydrophobicContact CB-CG2 4.13Å; W655-T732 WeakPolarHBondContact CB-OG1 3.3Å; L676-T732 HydrophobicContact CD1-CG2 4.19Å; L676-T732 HydrophobicContact CD2-CG2 4Å; A728-T732 PolarHBondContact O-N 3.5Å; A728-T732 PolarHBondContact O-OG1 2.92Å; L729-T732 WeakPolarHBondContact O-CB 3.34Å; L729-T732 PolarHBondContact O-N 3.04Å; L729-T732 VanDerWaalsContact O-N 3.11Å; A730-T732 VanDerWaalsContact C-N 3.31Å; A730-T732 PolarHBondContact O-N 3.31Å; T732-I734 VanDerWaalsContact C-N 3.33Å; T732-I734 PolarHBondContact O-N 2.9Å; T732-Q735 WeakPolarHBondContact O-CB 3.49Å; T732-Q735 PolarHBondContact O-N 3.39Å; T732-E736 PolarHBondContact O-N 3.09Å; T732-E736 VanDerWaalsContact O-N 3.11Å
733M98.8Very high98.4Very high0 Ų017.6 Ų17.60%09%0.088CC..Hα-helixtrans-60.2-41.6173.5-71.7177.5-179.400111.5L676 Y680 L729 A730 E736 G737 M738 E741 A742L676-M733 HydrophobicContact CD2-CG 4.38Å; Y680-M733 HydrophobicContact CD2-CE 4.25Å; Y680-M733 HydrophobicContact CG-CE 4.5Å; L729-M733 HydrophobicContact CD1-CE 4.01Å; L729-M733 HydrophobicContact CD2-CE 4.19Å; L729-M733 HydrophobicContact CG-CE 3.94Å; L729-M733 WeakPolarHBondContact O-CG 3.18Å; L729-M733 PolarHBondContact O-N 2.95Å; A730-M733 PolarHBondContact O-N 2.81Å; M733-E736 CarbonylContact O-C 3.48Å; M733-E736 PolarHBondContact O-N 2.83Å; M733-G737 PolarHBondContact O-N 2.95Å; M733-M738 HydrophobicContact CB-CB 3.96Å; M733-M738 HydrophobicContact CG-CB 4.46Å; M733-M738 WeakPolarHBondContact O-CB 3.32Å; M733-M738 PolarHBondContact O-N 2.94Å; M733-E741 HydrophobicContact SD-CB 3.75Å; M733-A742 HydrophobicContact CB-CB 3.72Å
734I98.6Very high98.4Very high0 Ų021 Ų210%010%0.104CC..Hα-helixtrans-61.8-45.2174.1-68.8162.3000111.2A730 A731 T732 E736 G737 F739 A742 M787 A790 L791 R794A730-I734 WeakPolarHBondContact O-CG1 3.45Å; A730-I734 PolarHBondContact O-N 2.84Å; A731-I734 WeakPolarHBondContact O-CB 3.35Å; A731-I734 PolarHBondContact O-N 3.41Å; T732-I734 VanDerWaalsContact C-N 3.33Å; T732-I734 PolarHBondContact O-N 2.9Å; I734-E736 PolarHBondContact O-N 3.18Å; I734-G737 PolarHBondContact O-N 3.08Å; I734-F739 HydrophobicContact CG1-CD1 4.41Å; I734-F739 HydrophobicContact CG2-CD1 4.41Å; I734-F739 HydrophobicContact CG2-CE1 3.94Å; I734-A742 HydrophobicContact CD1-CB 4.16Å; I734-A742 HydrophobicContact CG1-CB 3.6Å; I734-M787 HydrophobicContact CD1-CB 3.86Å; I734-M787 HydrophobicContact CD1-CE 3.9Å; I734-M787 HydrophobicContact CD1-CG 4.15Å; I734-A790 HydrophobicContact CB-CB 4Å; I734-A790 HydrophobicContact CG2-CB 3.62Å; I734-L791 HydrophobicContact CD1-CD1 4.46Å; I734-L791 HydrophobicContact CD1-CD2 4.37Å; I734-L791 HydrophobicContact CD1-CG 4.14Å; I734-L791 HydrophobicContact CG2-CD2 3.94Å; I734-L791 HydrophobicContact CG2-CG 4.02Å; I734-R794 WeakPolarHBondContact O-CD 3.38Å
735Q97.9Very high98.4Very high15 Ų1521 Ų217%0.0710%0.104CC..Hα-helixtrans-55.9-36.9176.9-70.3166.1-13.900111.3W655 K658 S659 A731 T732 A790 R794W655-Q735 PolarHBondContact O-NE2 3.22Å; W655-Q735 PolarHBondContact O-OE1 2.94Å; K658-Q735 HydrophobicContact CB-CB 4.42Å; K658-Q735 HydrophobicContact CB-CG 4.03Å; K658-Q735 VanDerWaalsContact CB-NE2 3.3Å; K658-Q735 VanDerWaalsContact CB-OE1 3.26Å; K658-Q735 HydrophobicContact CD-CB 4.4Å; K658-Q735 HydrophobicContact CG-CB 4.29Å; K658-Q735 HydrophobicContact CG-CG 4.44Å; S659-Q735 PolarHBondContact OG-NE2 2.91Å; A731-Q735 WeakPolarHBondContact O-CG 3.46Å; A731-Q735 PolarHBondContact O-N 2.99Å; T732-Q735 WeakPolarHBondContact O-CB 3.49Å; T732-Q735 PolarHBondContact O-N 3.39Å; Q735-A790 HydrophobicContact CG-CB 3.81Å; Q735-R794 PolarHBondContact O-NH1 2.93Å
736E97.5Very high98.4Very high9 Ų921 Ų214%0.04210%0.104CC..THydrogen-bonded Turntrans-88.53.2177.3-63.1-55.1130.400114.7H654 K658 Y664 V672 R673 L676 T732 M733 I734H654-E736 IonicContact CD2-OE1 3.72Å; H654-E736 IonicContact CE1-OE1 3.06Å; H654-E736 IonicContact NE2-OE1 3.22Å; H654-E736 PolarHBondContact NE2-OE1 3.28Å; K658-E736 WeakPolarHBondContact CE-OE1 3.36Å; K658-E736 IonicContact NZ-OE1 2.71Å; K658-E736 PolarHBondContact NZ-OE1 3.13Å; K658-E736 VanDerWaalsContact NZ-OE1 3.07Å; Y664-E736 PolarHBondContact OH-OE1 2.94Å; Y664-E736 PolarHBondContact OH-OE2 2.94Å; V672-E736 HydrophobicContact CG1-CG 3.87Å; R673-E736 PolarHBondContact NH1-O 3.02Å; L676-E736 HydrophobicContact CD1-CB 3.95Å; L676-E736 HydrophobicContact CD1-CG 3.58Å; T732-E736 PolarHBondContact O-N 3.09Å; T732-E736 VanDerWaalsContact O-N 3.11Å; M733-E736 CarbonylContact O-C 3.48Å; M733-E736 PolarHBondContact O-N 2.83Å; I734-E736 PolarHBondContact O-N 3.18Å
737G96.6Very high98.3Very high24 Ų2421.6 Ų21.625%0.24711%0.11CC..THydrogen-bonded Turntrans74.422.5177.900000114.9M733 I734 F739M733-G737 PolarHBondContact O-N 2.95Å; I734-G737 PolarHBondContact O-N 3.08Å; G737-F739 PolarHBondContact O-N 3.27Å
738M98.1Very high98.2Very high3 Ų321.7 Ų21.72%0.01511%0.112CC..  trans-92.962.9174.7-65.3175.964.100110R673 L676 K677 M733 E741 A742R673-M738 HydrophobicContact CG-SD 4.36Å; L676-M738 HydrophobicContact CB-CE 4.17Å; L676-M738 HydrophobicContact CB-SD 3.79Å; L676-M738 HydrophobicContact CD1-SD 4.16Å; K677-M738 HydrophobicContact CB-CE 4.34Å; K677-M738 HydrophobicContact CD-CE 4.31Å; M733-M738 HydrophobicContact CB-CB 3.96Å; M733-M738 HydrophobicContact CG-CB 4.46Å; M733-M738 WeakPolarHBondContact O-CB 3.32Å; M733-M738 PolarHBondContact O-N 2.94Å; M738-E741 VanDerWaalsContact C-OE2 3.26Å; M738-E741 WeakPolarHBondContact CA-OE2 3.47Å; M738-E741 HydrophobicContact CB-CB 4.26Å; M738-E741 WeakPolarHBondContact CB-OE2 3.35Å; M738-E741 HydrophobicContact CE-CB 4.2Å; M738-E741 HydrophobicContact CE-CG 3.89Å; M738-A742 WeakPolarHBondContact O-CB 3.35Å; M738-A742 PolarHBondContact O-N 2.83Å
739F97.4Very high98Very high61 Ų6121.7 Ų21.727%0.26811%0.111SC..Hα-helixtrans-67-42.4-170.5-64.1-83.8000112.9I734 G737 E741 A742 F743 L791I734-F739 HydrophobicContact CG1-CD1 4.41Å; I734-F739 HydrophobicContact CG2-CD1 4.41Å; I734-F739 HydrophobicContact CG2-CE1 3.94Å; G737-F739 PolarHBondContact O-N 3.27Å; F739-E741 VanDerWaalsContact C-N 3.35Å; F739-E741 PolarHBondContact O-N 3.42Å; F739-A742 PolarHBondContact O-N 2.8Å; F739-F743 WeakPolarHBondContact O-CD2 3.4Å; F739-F743 PolarHBondContact O-N 2.76Å; F739-L791 HydrophobicContact CD1-CD2 4.29Å; F739-L791 HydrophobicContact CE1-CD2 4.01Å
740E98Very high97.8Very high168 Ų16823 Ų2379%0.78512%0.116SC*.Hα-helixtrans-62.8-45179.7-67.2-179.5-176.600110.6A742 Q744E740-A742 PolarHBondContact O-N 2.7Å; E740-Q744 VanDerWaalsContact O-CB 3.29Å; E740-Q744 WeakPolarHBondContact O-CB 3.42Å; E740-Q744 PolarHBondContact O-N 2.97Å
741E98.7Very high97.5Very high37 Ų3726.9 Ų26.917%0.17313%0.133CC..Hα-helixtrans-62.8-43.4176.8-61.194.3147.500111.7Y680 M733 M738 F739 T745Y680-E741 HydrophobicContact CD1-CB 4.33Å; Y680-E741 HydrophobicContact CD1-CG 3.7Å; Y680-E741 HydrophobicContact CD2-CB 3.58Å; Y680-E741 HydrophobicContact CD2-CG 3.91Å; Y680-E741 HydrophobicContact CE1-CB 4.42Å; Y680-E741 HydrophobicContact CE1-CG 3.75Å; Y680-E741 HydrophobicContact CE2-CB 3.71Å; Y680-E741 HydrophobicContact CE2-CG 3.97Å; Y680-E741 HydrophobicContact CG-CB 3.89Å; Y680-E741 HydrophobicContact CG-CG 3.76Å; M733-E741 HydrophobicContact SD-CB 3.75Å; M738-E741 VanDerWaalsContact C-OE2 3.26Å; M738-E741 WeakPolarHBondContact CA-OE2 3.47Å; M738-E741 HydrophobicContact CB-CB 4.26Å; M738-E741 WeakPolarHBondContact CB-OE2 3.35Å; M738-E741 HydrophobicContact CE-CB 4.2Å; M738-E741 HydrophobicContact CE-CG 3.89Å; F739-E741 VanDerWaalsContact C-N 3.35Å; F739-E741 PolarHBondContact O-N 3.42Å; E741-T745 VanDerWaalsContact O-CB 3.27Å; E741-T745 WeakPolarHBondContact O-CB 3.34Å; E741-T745 PolarHBondContact O-N 2.52Å; E741-T745 PolarHBondContact O-OG1 2.75Å
742A98.6Very high97.2Very high0 Ų027.1 Ų27.10%013%0.134CC..Hα-helixtrans-61.1-51.2178.600000112.4A730 M733 I734 M738 F739 E740 T745 A746A730-A742 HydrophobicContact CB-CB 4.28Å; A730-A742 WeakPolarHBondContact O-CB 3.41Å; M733-A742 HydrophobicContact CB-CB 3.72Å; I734-A742 HydrophobicContact CD1-CB 4.16Å; I734-A742 HydrophobicContact CG1-CB 3.6Å; M738-A742 WeakPolarHBondContact O-CB 3.35Å; M738-A742 PolarHBondContact O-N 2.83Å; F739-A742 PolarHBondContact O-N 2.8Å; E740-A742 PolarHBondContact O-N 2.7Å; A742-T745 PolarHBondContact O-N 3.22Å; A742-A746 PolarHBondContact O-N 2.74Å
743F98.4Very high96.9Very high37 Ų3726.9 Ų26.916%0.16213%0.133CC..Hα-helixtrans-72.9-29.1-177.7-81.6-84.4000112.4L313 P314 W316 Y317 F739 G747 L791L313-F743 HydrophobicContact CD2-CE1 4.38Å; L313-F743 HydrophobicContact CD2-CZ 3.79Å; P314-F743 HydrophobicContact CG-CD1 3.72Å; P314-F743 HydrophobicContact CG-CE1 3.86Å; W316-F743 HydrophobicContact CH2-CD1 4.14Å; W316-F743 HydrophobicContact CZ2-CB 4.4Å; W316-F743 AromaticContact CZ2-CD1 3.64Å; W316-F743 HydrophobicContact CZ2-CD1 3.64Å; W316-F743 HydrophobicContact CZ2-CE1 4.47Å; W316-F743 HydrophobicContact CZ2-CG 4.5Å; W316-F743 WeakPolarHBondContact CZ2-O 3.33Å; Y317-F743 HydrophobicContact CD1-CE1 4.38Å; Y317-F743 HydrophobicContact CD2-CE1 4.24Å; Y317-F743 HydrophobicContact CG-CE1 4.01Å; F739-F743 WeakPolarHBondContact O-CD2 3.4Å; F739-F743 PolarHBondContact O-N 2.76Å; F743-G747 VanDerWaalsContact O-CA 3.3Å; F743-G747 WeakPolarHBondContact O-CA 3.22Å; F743-G747 PolarHBondContact O-N 3.42Å; F743-L791 HydrophobicContact CE2-CD2 4.39Å; F743-L791 HydrophobicContact CZ-CD1 4.18Å
744Q98.3Very high96.4Very high73 Ų7328 Ų2834%0.34114%0.14SC..Hα-helixtrans-65.3-46.2169.1179.662.315.800111Y680 M685 E740 G747 G748Y680-Q744 HydrophobicContact CE2-CB 4.18Å; Y680-Q744 HydrophobicContact CE2-CG 4.21Å; M685-Q744 HydrophobicContact SD-CG 4.18Å; E740-Q744 VanDerWaalsContact O-CB 3.29Å; E740-Q744 WeakPolarHBondContact O-CB 3.42Å; E740-Q744 PolarHBondContact O-N 2.97Å; Q744-G747 PolarHBondContact O-N 2.94Å; Q744-G748 PolarHBondContact O-N 2.86Å
745T98.6Very high95.9Very high0 Ų034.4 Ų34.40%017%0.17CC..Hα-helixtrans-61.1-52.1-179.1-59.50000111.7V684 V726 L729 E741 A742V684-T745 HydrophobicContact CG2-CG2 3.82Å; V726-T745 HydrophobicContact CG1-CG2 3.83Å; L729-T745 HydrophobicContact CD2-CG2 4.41Å; E741-T745 VanDerWaalsContact O-CB 3.27Å; E741-T745 WeakPolarHBondContact O-CB 3.34Å; E741-T745 PolarHBondContact O-N 2.52Å; E741-T745 PolarHBondContact O-OG1 2.75Å; A742-T745 PolarHBondContact O-N 3.22Å
746A98.4Very high95.4Very high0 Ų038.8 Ų38.80%019%0.186CC..Hα-helixtrans-73.4-33.2178.500000113.1W316 Y727 A730 A742 M749 Y750 M787W316-A746 HydrophobicContact CH2-CB 3.72Å; W316-A746 HydrophobicContact CZ3-CB 4.35Å; Y727-A746 HydrophobicContact CD1-CB 3.92Å; Y727-A746 HydrophobicContact CE1-CB 4.06Å; A730-A746 HydrophobicContact CB-CB 3.97Å; A742-A746 PolarHBondContact O-N 2.74Å; A746-M749 WeakPolarHBondContact O-CB 3.32Å; A746-M749 PolarHBondContact O-N 2.69Å; A746-Y750 PolarHBondContact O-N 2.82Å; A746-M787 HydrophobicContact CB-CE 3.73Å; A746-M787 HydrophobicContact CB-SD 3.76Å
747G97.5Very high95.1Very high13 Ų1340.2 Ų40.213%0.13419%0.194CC..Hα-helixtrans-67.8-36.2178.900000113W316 F743 Q744 M749 Y750 K751W316-G747 VanDerWaalsContact CH2-N 3.35Å; F743-G747 VanDerWaalsContact O-CA 3.3Å; F743-G747 WeakPolarHBondContact O-CA 3.22Å; F743-G747 PolarHBondContact O-N 3.42Å; Q744-G747 PolarHBondContact O-N 2.94Å; G747-M749 VanDerWaalsContact C-N 3.31Å; G747-M749 PolarHBondContact O-N 3.36Å; G747-Y750 PolarHBondContact O-N 3.32Å; G747-K751 WeakPolarHBondContact O-CB 3.32Å; G747-K751 PolarHBondContact O-N 2.94Å
748G95.9Very high94.7Very high3 Ų341.6 Ų41.63%0.03121%0.208CC..Hα-helixtrans-59.5-41.5170.700000112.5G690 N691 Q744 T752G690-G748 WeakPolarHBondContact O-CA 3.11Å; N691-G748 CarbonylContact C-O 3.52Å; N691-G748 CarbonylContact O-C 3.54Å; Q744-G748 PolarHBondContact O-N 2.86Å; G748-T752 PolarHBondContact O-N 2.96Å; G748-T752 PolarHBondContact O-OG1 3.33Å
749M95.6Very high94.3Very high0 Ų042.3 Ų42.30%021%0.212CC..Hα-helixtrans-62.2-52175.118051.170.800111.6I692 V721 P723 V726 Y727 A746 G747 K751 T752 L753 L767I692-M749 WeakPolarHBondContact O-CE 3.29Å; V721-M749 HydrophobicContact CB-CE 4.28Å; V721-M749 HydrophobicContact CG1-CE 3.23Å; P723-M749 HydrophobicContact CB-CE 4.02Å; P723-M749 HydrophobicContact CB-CG 4.06Å; P723-M749 HydrophobicContact CB-SD 3.85Å; P723-M749 HydrophobicContact CG-CE 3.83Å; P723-M749 HydrophobicContact CG-SD 3.73Å; V726-M749 HydrophobicContact CB-CE 4.45Å; V726-M749 HydrophobicContact CG1-CB 4.06Å; V726-M749 HydrophobicContact CG2-CE 4.04Å; Y727-M749 HydrophobicContact CE1-CG 4.33Å; A746-M749 WeakPolarHBondContact O-CB 3.32Å; A746-M749 PolarHBondContact O-N 2.69Å; G747-M749 VanDerWaalsContact C-N 3.31Å; G747-M749 PolarHBondContact O-N 3.36Å; M749-K751 PolarHBondContact O-N 2.86Å; M749-T752 PolarHBondContact O-N 3.4Å; M749-T752 VanDerWaalsContact O-N 3.16Å; M749-L753 HydrophobicContact CG-CD1 3.83Å; M749-L753 HydrophobicContact CG-CG 4.42Å; M749-L753 WeakPolarHBondContact O-CG 3.04Å; M749-L753 PolarHBondContact O-N 3.08Å; M749-L753 HydrophobicContact SD-CD1 3.71Å; M749-L753 HydrophobicContact SD-CD2 4.33Å; M749-L753 HydrophobicContact SD-CG 3.79Å; M749-L767 HydrophobicContact CE-CD1 3.99Å; M749-L767 HydrophobicContact SD-CD1 3.63Å
750Y94.8Very high93.9Very high36 Ų3642.7 Ų42.714%0.14122%0.217CC..Hα-helixtrans-56.1-48.1176.7172.5-92.2000112.3W316 C319 A320 A746 G747 T752 L753 S754W316-Y750 HydrophobicContact CB-CD1 3.51Å; W316-Y750 HydrophobicContact CB-CE1 3.44Å; W316-Y750 VanDerWaalsContact CB-CE1 3.44Å; W316-Y750 HydrophobicContact CB-CG 4.12Å; W316-Y750 HydrophobicContact CD2-CD1 4.39Å; W316-Y750 HydrophobicContact CD2-CG 4.38Å; W316-Y750 HydrophobicContact CE3-CD1 4.23Å; W316-Y750 HydrophobicContact CE3-CD2 4.3Å; W316-Y750 AromaticContact CE3-CG 3.77Å; W316-Y750 HydrophobicContact CE3-CG 3.77Å; W316-Y750 HydrophobicContact CG-CD1 4.15Å; C319-Y750 HydrophobicContact CB-CE2 4.34Å; A320-Y750 HydrophobicContact CB-CD2 3.7Å; A320-Y750 HydrophobicContact CB-CE2 4.19Å; A746-Y750 PolarHBondContact O-N 2.82Å; G747-Y750 PolarHBondContact O-N 3.32Å; Y750-T752 PolarHBondContact O-N 2.97Å; Y750-L753 PolarHBondContact O-N 3.06Å; Y750-S754 WeakPolarHBondContact CD2-OG 3.5Å; Y750-S754 WeakPolarHBondContact CE2-OG 3.42Å; Y750-S754 WeakPolarHBondContact O-CB 3.35Å; Y750-S754 PolarHBondContact O-N 3.45Å; Y750-S754 PolarHBondContact O-OG 2.76Å
751K92.2Very high93.6Very high80 Ų8037.3 Ų37.335%0.34819%0.191SC..Iπ-helixtrans-57.5-41.2179.4-178.4174.8-177.4-176.60111.3G747 M749 Q755 R756G747-K751 WeakPolarHBondContact O-CB 3.32Å; G747-K751 PolarHBondContact O-N 2.94Å; M749-K751 PolarHBondContact O-N 2.86Å; K751-Q755 WeakPolarHBondContact O-CA 3.29Å; K751-Q755 VanDerWaalsContact O-CB 3.25Å; K751-Q755 WeakPolarHBondContact O-CB 3.25Å; K751-Q755 PolarHBondContact O-N 2.83Å; K751-R756 PolarHBondContact O-N 3.13Å
752T92.9Very high93.4Very high5 Ų539.9 Ų39.93%0.03120%0.203CC..Iπ-helixtrans-66.3-55.7177.1-66.80000111.1N691 I692 G748 M749 Y750 S754 R756 I757 L767N691-T752 PolarHBondContact O-OG1 3.07Å; I692-T752 HydrophobicContact CD1-CG2 4.1Å; I692-T752 HydrophobicContact CG1-CG2 4.03Å; G748-T752 PolarHBondContact O-N 2.96Å; G748-T752 PolarHBondContact O-OG1 3.33Å; M749-T752 PolarHBondContact O-N 3.4Å; M749-T752 VanDerWaalsContact O-N 3.16Å; Y750-T752 PolarHBondContact O-N 2.97Å; T752-S754 PolarHBondContact O-N 2.85Å; T752-R756 WeakPolarHBondContact O-CB 3.21Å; T752-R756 PolarHBondContact O-N 2.76Å; T752-R756 VanDerWaalsContact O-N 3.11Å; T752-R756 PolarHBondContact OG1-NH1 3.39Å; T752-I757 HydrophobicContact CG2-CD1 4.47Å; T752-I757 WeakPolarHBondContact O-CG1 3.29Å; T752-I757 PolarHBondContact O-N 3.12Å; T752-I757 VanDerWaalsContact O-N 3.07Å; T752-L767 HydrophobicContact CG2-CD1 3.87Å
753L92.2Very high93.3Very high1 Ų139.9 Ų39.91%0.00520%0.203CC..Iπ-helixtrans-55.7-52.8-178.6-68.3170.6000112.2M749 Y750 I757 G758 M759 T763 P764 L767M749-L753 HydrophobicContact CG-CD1 3.83Å; M749-L753 HydrophobicContact CG-CG 4.42Å; M749-L753 WeakPolarHBondContact O-CG 3.04Å; M749-L753 PolarHBondContact O-N 3.08Å; M749-L753 HydrophobicContact SD-CD1 3.71Å; M749-L753 HydrophobicContact SD-CD2 4.33Å; M749-L753 HydrophobicContact SD-CG 3.79Å; Y750-L753 PolarHBondContact O-N 3.06Å; L753-I757 HydrophobicContact CD2-CD1 4.42Å; L753-G758 CarbonylContact O-C 3.47Å; L753-G758 WeakPolarHBondContact O-CA 3.33Å; L753-G758 PolarHBondContact O-N 2.94Å; L753-M759 HydrophobicContact CD2-CB 4.19Å; L753-M759 PolarHBondContact O-N 3.19Å; L753-T763 HydrophobicContact CD1-CG2 3.75Å; L753-T763 HydrophobicContact CD2-CG2 4.08Å; L753-P764 HydrophobicContact CD2-CG 4.39Å; L753-L767 HydrophobicContact CD2-CD1 4.07Å; L753-L767 HydrophobicContact CD2-CD2 4.47Å
754S88.6Confident93.3Very high22 Ų2238.1 Ų38.115%0.15420%0.195CC..Iπ-helixtrans-85.9-36.3-170.1-560000113.8Y750 T752 N760Y750-S754 WeakPolarHBondContact CD2-OG 3.5Å; Y750-S754 WeakPolarHBondContact CE2-OG 3.42Å; Y750-S754 WeakPolarHBondContact O-CB 3.35Å; Y750-S754 PolarHBondContact O-N 3.45Å; Y750-S754 PolarHBondContact O-OG 2.76Å; T752-S754 PolarHBondContact O-N 2.85Å; S754-N760 VanDerWaalsContact CB-OD1 3.32Å; S754-N760 WeakPolarHBondContact CB-OD1 3.46Å; S754-N760 PolarHBondContact OG-OD1 2.8Å
755Q87.6Confident93.2Very high135 Ų13534.8 Ų34.863%0.63118%0.179SC*.Iπ-helixtrans-108.8-21-169.4-52.7179.2-7.600114K751K751-Q755 WeakPolarHBondContact O-CA 3.29Å; K751-Q755 VanDerWaalsContact O-CB 3.25Å; K751-Q755 WeakPolarHBondContact O-CB 3.25Å; K751-Q755 PolarHBondContact O-N 2.83Å
756R88.2Confident93.2Very high107 Ų10734.8 Ų34.840%0.40418%0.179SC..Iπ-helixtrans-105.5-40.6-176.8-63.7-178.9170.6171.3-7.9114N691 K751 T752N691-R756 PolarHBondContact O-NH1 3.2Å; K751-R756 PolarHBondContact O-N 3.13Å; T752-R756 WeakPolarHBondContact O-CB 3.21Å; T752-R756 PolarHBondContact O-N 2.76Å; T752-R756 VanDerWaalsContact O-N 3.11Å; T752-R756 PolarHBondContact OG1-NH1 3.39Å
757I90Very high93Very high39 Ų3934.9 Ų34.920%0.218%0.18CC..Iπ-helixtrans-118.1-12.8-174.567.6170000114.4T752 L753 M759 L767 K771T752-I757 HydrophobicContact CG2-CD1 4.47Å; T752-I757 WeakPolarHBondContact O-CG1 3.29Å; T752-I757 PolarHBondContact O-N 3.12Å; T752-I757 VanDerWaalsContact O-N 3.07Å; L753-I757 HydrophobicContact CD2-CD1 4.42Å; I757-M759 HydrophobicContact CB-CG 4.43Å; I757-M759 HydrophobicContact CD1-CB 4.24Å; I757-M759 HydrophobicContact CD1-CG 3.54Å; I757-M759 HydrophobicContact CG1-CB 4.23Å; I757-M759 HydrophobicContact CG1-CG 3.66Å; I757-L767 HydrophobicContact CD1-CD2 3.61Å; I757-K771 HydrophobicContact CG2-CB 4.32Å; I757-K771 HydrophobicContact CG2-CG 4.29Å
758G88.4Confident92.7Very high53 Ų5336.1 Ų36.155%0.54618%0.181SC..  trans73.436.9171.800000115L753L753-G758 CarbonylContact O-C 3.47Å; L753-G758 WeakPolarHBondContact O-CA 3.33Å; L753-G758 PolarHBondContact O-N 2.94Å
759M90.8Very high92Very high18 Ų1837.3 Ų37.39%0.08919%0.193CC..  trans-99.129.5-175.2-67-70.5170.400113.5L753 I757 F761 E762 T763 Y773L753-M759 HydrophobicContact CD2-CB 4.19Å; L753-M759 PolarHBondContact O-N 3.19Å; I757-M759 HydrophobicContact CB-CG 4.43Å; I757-M759 HydrophobicContact CD1-CB 4.24Å; I757-M759 HydrophobicContact CD1-CG 3.54Å; I757-M759 HydrophobicContact CG1-CB 4.23Å; I757-M759 HydrophobicContact CG1-CG 3.66Å; M759-F761 PolarHBondContact O-N 2.96Å; M759-E762 CarbonylContact O-C 3.32Å; M759-E762 PolarHBondContact O-N 3.45Å; M759-E762 HydrophobicContact SD-CB 4.38Å; M759-T763 PolarHBondContact O-N 3.43Å; M759-Y773 HydrophobicContact CE-CD1 3.59Å; M759-Y773 HydrophobicContact CE-CE1 3.16Å; M759-Y773 HydrophobicContact CE-CE2 4.16Å; M759-Y773 HydrophobicContact CE-CG 4.25Å; M759-Y773 VanDerWaalsContact CE-CZ 3.46Å
760N88.8Confident90.9Very high70 Ų7043.1 Ų43.137%0.37422%0.22SC..THydrogen-bonded Turntrans-65.5133.5173-64.6-48.5000109S754 E762S754-N760 VanDerWaalsContact CB-OD1 3.32Å; S754-N760 WeakPolarHBondContact CB-OD1 3.46Å; S754-N760 PolarHBondContact OG-OD1 2.8Å; N760-E762 PolarHBondContact O-N 3.03Å
761F92.1Very high89.8Confident55 Ų5549.2 Ų49.224%0.24125%0.247CC..THydrogen-bonded Turntrans64.813.8-174.7-50.2-72.7000115.1N323 Y326 M759N323-F761 HydrophobicContact CB-CE1 3.95Å; N323-F761 HydrophobicContact CB-CZ 4.08Å; N323-F761 WeakPolarHBondContact OD1-CZ 3.03Å; Y326-F761 HydrophobicContact CD1-CD1 4.16Å; Y326-F761 HydrophobicContact CD2-CB 4.12Å; Y326-F761 HydrophobicContact CD2-CD1 4.23Å; Y326-F761 VanDerWaalsContact CE2-C 3.42Å; Y326-F761 HydrophobicContact CE2-CB 4.31Å; Y326-F761 WeakPolarHBondContact CE2-O 3.25Å; Y326-F761 HydrophobicContact CG-CB 4.33Å; Y326-F761 AromaticContact CG-CD1 3.71Å; Y326-F761 HydrophobicContact CG-CD1 3.71Å; Y326-F761 VanDerWaalsContact OH-C 3.27Å; Y326-F761 PolarHBondContact OH-O 3.32Å; M759-F761 PolarHBondContact O-N 2.96Å
762E94.1Very high89.5Confident90 Ų9052.9 Ų52.942%0.42126%0.259SS..  trans-141.726.9172.8-65.1-172.415000111.1Y326 M759 N760 G777Y326-E762 VanDerWaalsContact OH-CA 3.31Å; Y326-E762 WeakPolarHBondContact OH-CA 3.26Å; Y326-E762 PolarHBondContact OH-N 3.15Å; M759-E762 CarbonylContact O-C 3.32Å; M759-E762 PolarHBondContact O-N 3.45Å; M759-E762 HydrophobicContact SD-CB 4.38Å; N760-E762 PolarHBondContact O-N 3.03Å; E762-G777 PolarHBondContact O-N 3.47Å
763T96.6Very high89.5Confident0 Ų058 Ų580%028%0.279CS..  trans-50.5123.5-172.9-49.60000111.1Q324 Y326 P723 L753 M759 G777 Y778 P781Q324-T763 VanDerWaalsContact CD-OG1 3.26Å; Q324-T763 PolarHBondContact NE2-OG1 3.33Å; Q324-T763 PolarHBondContact OE1-OG1 3.36Å; Y326-T763 PolarHBondContact OH-N 2.91Å; P723-T763 HydrophobicContact CB-CG2 4.31Å; P723-T763 HydrophobicContact CG-CG2 4.36Å; L753-T763 HydrophobicContact CD1-CG2 3.75Å; L753-T763 HydrophobicContact CD2-CG2 4.08Å; M759-T763 PolarHBondContact O-N 3.43Å; T763-G777 PolarHBondContact O-N 3.34Å; T763-Y778 PolarHBondContact O-N 3.21Å; T763-P781 HydrophobicContact CG2-CB 3.72Å; T763-P781 HydrophobicContact CG2-CG 3.54Å
764P97.2Very high89.7Confident0 Ų060.3 Ų60.30%029%0.287CS..  trans-84.2169.1-174.733.1-35.8000113.5P723 L753 L767 R774 S775P723-P764 WeakPolarHBondContact CG-O 3.42Å; L753-P764 HydrophobicContact CD2-CG 4.39Å; P764-L767 HydrophobicContact CG-CD2 3.56Å; P764-L767 HydrophobicContact CG-CG 4.36Å; P764-R774 WeakPolarHBondContact CB-O 3.21Å; P764-S775 CarbonylContact C-O 3.57Å; P764-S775 WeakPolarHBondContact CA-O 3.32Å; P764-S775 WeakPolarHBondContact CB-O 3.36Å
765E97.6Very high89.9Confident3 Ų359.2 Ų59.21%0.01428%0.28CS..SBendtrans-65.4-42.4169.2171.458.3161.500111.7W722 P723 R774 S775 Y778 R780W722-E765 VanDerWaalsContact CA-O 3.25Å; W722-E765 WeakPolarHBondContact CA-O 3.39Å; P723-E765 WeakPolarHBondContact CD-O 3.48Å; E765-R774 PolarHBondContact N-O 3.38Å; E765-S775 PolarHBondContact N-O 3.19Å; E765-Y778 HydrophobicContact CB-CD1 3.56Å; E765-Y778 HydrophobicContact CB-CD2 3.79Å; E765-Y778 HydrophobicContact CB-CE1 3.62Å; E765-Y778 HydrophobicContact CB-CE2 3.88Å; E765-Y778 HydrophobicContact CB-CG 3.62Å; E765-Y778 HydrophobicContact CG-CD1 4.1Å; E765-Y778 HydrophobicContact CG-CE1 3.69Å; E765-Y778 HydrophobicContact CG-CE2 4.4Å; E765-Y778 WeakPolarHBondContact OE2-CD1 3.46Å; E765-Y778 WeakPolarHBondContact OE2-CE1 3.45Å; E765-R780 VanDerWaalsContact CD-NE 3.33Å; E765-R780 IonicContact OE1-CZ 3.04Å; E765-R780 IonicContact OE1-NE 2.64Å; E765-R780 PolarHBondContact OE1-NE 2.81Å; E765-R780 IonicContact OE1-NH2 3.7Å; E765-R780 PolarHBondContact OE1-NH2 3.1Å; E765-R780 WeakPolarHBondContact OE2-CB 3.38Å; E765-R780 IonicContact OE2-NE 3.07Å; E765-R780 PolarHBondContact OE2-NE 2.89Å
766A97.3Very high90.2Very high0 Ų054.6 Ų54.60%026%0.259CS..EExtended strand (participates in β ladder)trans-141.3146.2-173.500000112.9E720 V721 W722 Y773 R774E720-A766 HydrophobicContact CB-CB 4Å; E720-A766 HydrophobicContact CG-CB 3.8Å; V721-A766 CarbonylContact O-C 3.58Å; V721-A766 WeakPolarHBondContact O-CA 3.22Å; W722-A766 VanDerWaalsContact CD1-CB 3.5Å; A766-Y773 CarbonylContact O-C 3.59Å; A766-Y773 WeakPolarHBondContact O-CA 3.26Å; A766-Y773 WeakPolarHBondContact O-CB 3.48Å; A766-R774 HydrophobicContact CB-CB 4.29Å; A766-R774 PolarHBondContact N-O 3.27Å; A766-R774 PolarHBondContact O-N 2.56Å
767L95Very high90.6Very high2 Ų249.5 Ų49.51%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-117.3156.7166.8-57.5179.6000109.5I692 E720 V721 M749 T752 L753 I757 P764I692-L767 HydrophobicContact CD1-CB 4.37Å; I692-L767 HydrophobicContact CG1-CD1 4.3Å; E720-L767 CarbonylContact C-O 3.56Å; E720-L767 WeakPolarHBondContact CA-O 3.35Å; V721-L767 HydrophobicContact CB-CB 4.43Å; V721-L767 PolarHBondContact N-O 2.81Å; V721-L767 PolarHBondContact O-N 3.07Å; M749-L767 HydrophobicContact CE-CD1 3.99Å; M749-L767 HydrophobicContact SD-CD1 3.63Å; T752-L767 HydrophobicContact CG2-CD1 3.87Å; L753-L767 HydrophobicContact CD2-CD1 4.07Å; L753-L767 HydrophobicContact CD2-CD2 4.47Å; I757-L767 HydrophobicContact CD1-CD2 3.61Å; P764-L767 HydrophobicContact CG-CD2 3.56Å; P764-L767 HydrophobicContact CG-CG 4.36Å
768Y91.3Very high91Very high39 Ų3948 Ų4815%0.15323%0.231CC..  trans-111.5173.7170.8-58.7-92000110I692 I716 E720 E770 R772 R774I692-Y768 WeakPolarHBondContact CD1-O 3.21Å; I716-Y768 HydrophobicContact CD1-CE1 4.38Å; I716-Y768 WeakPolarHBondContact CD1-OH 3.31Å; I716-Y768 HydrophobicContact CG1-CE1 3.84Å; E720-Y768 HydrophobicContact CG-CD1 3.92Å; E720-Y768 HydrophobicContact CG-CE1 3.35Å; E720-Y768 HydrophobicContact CG-CE2 4.45Å; E720-Y768 VanDerWaalsContact OE1-CZ 3.27Å; E720-Y768 PolarHBondContact OE1-OH 3.49Å; Y768-E770 CarbonylContact C-O 3.44Å; Y768-E770 PolarHBondContact O-N 2.8Å; Y768-R772 HydrophobicContact CD2-CB 3.77Å; Y768-R772 HydrophobicContact CG-CB 4.45Å; Y768-R772 PolarHBondContact N-O 3.23Å; Y768-R774 HydrophobicContact CE2-CB 4.45Å
769G80.3Confident91.4Very high28 Ų2845.4 Ų45.429%0.28921%0.205SC..SBendtrans-63.2-22.2174.100000113.9F687 H688F687-G769 VanDerWaalsContact CZ-CA 3.46Å; H688-G769 PolarHBondContact CE1-O 2.9Å; H688-G769 WeakPolarHBondContact NE2-CA 3.39Å; H688-G769 PolarHBondContact NE2-O 2.99Å
770E72.4Confident91.8Very high122 Ų12244.7 Ų44.757%0.5720%0.202SC*.SBendtrans-92.4166.7170.2-60.9-177.5175.700110.6Y768 R772Y768-E770 CarbonylContact C-O 3.44Å; Y768-E770 PolarHBondContact O-N 2.8Å; E770-R772 HydrophobicContact CB-CG 4.46Å; E770-R772 PolarHBondContact O-N 3.05Å; E770-R772 IonicContact OE2-CZ 3.44Å; E770-R772 IonicContact OE2-NE 2.94Å; E770-R772 PolarHBondContact OE2-NE 2.99Å; E770-R772 IonicContact OE2-NH1 3.06Å; E770-R772 IonicContact OE2-NH2 2.79Å; E770-R772 PolarHBondContact OE2-NH2 3.05Å
771K71.8Confident92.3Very high165 Ų16541.4 Ų41.472%0.71718%0.184SC*.SBendtrans-68.453.5177.3-62.4-174-179.7-177.60113.1I757I757-K771 HydrophobicContact CG2-CB 4.32Å; I757-K771 HydrophobicContact CG2-CG 4.29Å
772R87Confident92.6Very high157 Ų15738.9 Ų38.959%0.59217%0.173SC*.  trans-123.7152.6179.3-62-176.8-174.4158.612.5109.1Y768 E770Y768-R772 HydrophobicContact CD2-CB 3.77Å; Y768-R772 HydrophobicContact CG-CB 4.45Å; Y768-R772 PolarHBondContact N-O 3.23Å; E770-R772 HydrophobicContact CB-CG 4.46Å; E770-R772 PolarHBondContact O-N 3.05Å; E770-R772 IonicContact OE2-CZ 3.44Å; E770-R772 IonicContact OE2-NE 2.94Å; E770-R772 PolarHBondContact OE2-NE 2.99Å; E770-R772 IonicContact OE2-NH1 3.06Å; E770-R772 IonicContact OE2-NH2 2.79Å; E770-R772 PolarHBondContact OE2-NH2 3.05Å
773Y92.6Very high92.8Very high113 Ų11334.6 Ų34.644%0.44315%0.153SC..EExtended strand (participates in β ladder)trans-144.5166.8-17956.8-90.9000110.2M759 A766 I776M759-Y773 HydrophobicContact CE-CD1 3.59Å; M759-Y773 HydrophobicContact CE-CE1 3.16Å; M759-Y773 HydrophobicContact CE-CE2 4.16Å; M759-Y773 HydrophobicContact CE-CG 4.25Å; M759-Y773 VanDerWaalsContact CE-CZ 3.46Å; A766-Y773 CarbonylContact O-C 3.59Å; A766-Y773 WeakPolarHBondContact O-CA 3.26Å; A766-Y773 WeakPolarHBondContact O-CB 3.48Å; Y773-I776 HydrophobicContact CD2-CG2 3.57Å; Y773-I776 HydrophobicContact CE2-CG2 3.31Å
774R95.2Very high92.9Very high48 Ų4834.6 Ų34.618%0.18115%0.153CC..EExtended strand (participates in β ladder)trans-137.6135.3175.3179.6175.361.872.30.4110Y366 E720 P764 E765 A766 Y768Y366-R774 WeakPolarHBondContact OH-CG 3.45Å; Y366-R774 PolarHBondContact OH-NH1 3.28Å; E720-R774 IonicContact OE1-CZ 2.78Å; E720-R774 IonicContact OE1-NE 3.97Å; E720-R774 PolarHBondContact OE1-NE 2.93Å; E720-R774 IonicContact OE1-NH2 3.39Å; E720-R774 PolarHBondContact OE1-NH2 3.17Å; E720-R774 IonicContact OE2-CZ 2.83Å; E720-R774 IonicContact OE2-NE 3.65Å; E720-R774 IonicContact OE2-NH2 2.72Å; E720-R774 PolarHBondContact OE2-NH2 3.48Å; P764-R774 WeakPolarHBondContact CB-O 3.21Å; E765-R774 PolarHBondContact N-O 3.38Å; A766-R774 HydrophobicContact CB-CB 4.29Å; A766-R774 PolarHBondContact N-O 3.27Å; A766-R774 PolarHBondContact O-N 2.56Å; Y768-R774 HydrophobicContact CE2-CB 4.45Å
775S94.1Very high93Very high0 Ų035.1 Ų35.10%016%0.155CC..SBendtrans58.986177.3-153.60000113.9E365 Y366 P764 E765 Y778E365-S775 WeakPolarHBondContact OE2-CA 3.46Å; E365-S775 PolarHBondContact OE2-N 3.04Å; E365-S775 VanDerWaalsContact OE2-N 3.13Å; Y366-S775 VanDerWaalsContact CD2-OG 3.26Å; Y366-S775 WeakPolarHBondContact CD2-OG 3.08Å; Y366-S775 VanDerWaalsContact CE2-CB 3.49Å; Y366-S775 WeakPolarHBondContact CE2-OG 3.36Å; P764-S775 CarbonylContact C-O 3.57Å; P764-S775 WeakPolarHBondContact CA-O 3.32Å; P764-S775 WeakPolarHBondContact CB-O 3.36Å; E765-S775 PolarHBondContact N-O 3.19Å; S775-Y778 VanDerWaalsContact OG-CD2 3.32Å; S775-Y778 WeakPolarHBondContact OG-CD2 2.92Å; S775-Y778 WeakPolarHBondContact OG-CE2 3.26Å
776I94.3Very high93Very high38 Ų3835.1 Ų35.120%0.19516%0.155CC..SBendtrans-72.4158.7175.963.4171000111.9H364 Y773H364-I776 HydrophobicContact CB-CG1 4.47Å; H364-I776 PolarHBondContact N-O 3.36Å; Y773-I776 HydrophobicContact CD2-CG2 3.57Å; Y773-I776 HydrophobicContact CE2-CG2 3.31Å
777G95.4Very high93.1Very high0 Ų035.1 Ų35.10%016%0.155CC..SBendtrans56.273.2178.200000110Y326 F327 G363 H364 E762 T763Y326-G777 WeakPolarHBondContact OH-CA 3.36Å; F327-G777 WeakPolarHBondContact CE2-O 3.18Å; F327-G777 VanDerWaalsContact CZ-O 3.28Å; F327-G777 WeakPolarHBondContact CZ-O 3.41Å; G363-G777 CarbonylContact C-O 3.52Å; G363-G777 WeakPolarHBondContact CA-O 3.3Å; H364-G777 PolarHBondContact N-O 2.97Å; E762-G777 PolarHBondContact O-N 3.47Å; T763-G777 PolarHBondContact O-N 3.34Å
778Y98.2Very high93.2Very high6 Ų635.1 Ų35.12%0.02416%0.155CC..BIsolated β-bridgetrans-118.7151-167.9-150-103.7000113.1E362 Y366 V374 T763 E765 S775 R780 P781E362-Y778 VanDerWaalsContact CD-OH 3.3Å; E362-Y778 HydrophobicContact CG-CE1 4.34Å; E362-Y778 HydrophobicContact CG-CE2 3.8Å; E362-Y778 WeakPolarHBondContact CG-OH 3.26Å; E362-Y778 VanDerWaalsContact O-CD2 3.29Å; E362-Y778 WeakPolarHBondContact O-CD2 3.15Å; E362-Y778 WeakPolarHBondContact O-CE2 3.13Å; E362-Y778 PolarHBondContact OE1-OH 3.06Å; Y366-Y778 AromaticContact CD2-CE2 3.55Å; Y366-Y778 HydrophobicContact CD2-CE2 3.55Å; Y366-Y778 HydrophobicContact CE2-CE2 4.17Å; Y366-Y778 HydrophobicContact CG-CE2 4.39Å; V374-Y778 HydrophobicContact CG1-CD1 4.44Å; V374-Y778 HydrophobicContact CG1-CE1 3.68Å; T763-Y778 PolarHBondContact O-N 3.21Å; E765-Y778 HydrophobicContact CB-CD1 3.56Å; E765-Y778 HydrophobicContact CB-CD2 3.79Å; E765-Y778 HydrophobicContact CB-CE1 3.62Å; E765-Y778 HydrophobicContact CB-CE2 3.88Å; E765-Y778 HydrophobicContact CB-CG 3.62Å; E765-Y778 HydrophobicContact CG-CD1 4.1Å; E765-Y778 HydrophobicContact CG-CE1 3.69Å; E765-Y778 HydrophobicContact CG-CE2 4.4Å; E765-Y778 WeakPolarHBondContact OE2-CD1 3.46Å; E765-Y778 WeakPolarHBondContact OE2-CE1 3.45Å; S775-Y778 VanDerWaalsContact OG-CD2 3.32Å; S775-Y778 WeakPolarHBondContact OG-CD2 2.92Å; S775-Y778 WeakPolarHBondContact OG-CE2 3.26Å; Y778-R780 HydrophobicContact CD1-CB 3.81Å; Y778-R780 HydrophobicContact CE1-CB 3.98Å; Y778-P781 WeakPolarHBondContact O-CD 3.24Å
779M97.9Very high93.5Very high0 Ų033.7 Ų33.70%015%0.151CC..SBendtrans-78.6-37-174.384.2-176.4-43.400113.7F327 Y360 E362 V374 H375 A378 L782F327-M779 VanDerWaalsContact CD1-CA 3.5Å; F327-M779 HydrophobicContact CD1-CB 3.86Å; F327-M779 HydrophobicContact CE1-CB 3.42Å; F327-M779 VanDerWaalsContact CE1-CB 3.42Å; F327-M779 HydrophobicContact CZ-CB 4.37Å; Y360-M779 HydrophobicContact CD2-CB 4.32Å; Y360-M779 HydrophobicContact CD2-CE 3.74Å; Y360-M779 HydrophobicContact CE1-CE 4.06Å; Y360-M779 HydrophobicContact CE2-CB 3.91Å; Y360-M779 HydrophobicContact CE2-CE 3.13Å; Y360-M779 HydrophobicContact CG-CE 4.45Å; Y360-M779 WeakPolarHBondContact OH-CE 3.49Å; E362-M779 HydrophobicContact CB-SD 4.34Å; E362-M779 HydrophobicContact CG-SD 4.34Å; E362-M779 WeakPolarHBondContact O-CB 3.45Å; E362-M779 PolarHBondContact O-N 3.38Å; V374-M779 HydrophobicContact CB-CG 4.02Å; V374-M779 HydrophobicContact CB-SD 3.67Å; V374-M779 HydrophobicContact CG1-CG 3.27Å; V374-M779 HydrophobicContact CG1-SD 3.65Å; H375-M779 HydrophobicContact CB-CE 4.02Å; A378-M779 HydrophobicContact CB-CG 4.47Å; A378-M779 WeakPolarHBondContact CB-O 3.23Å; M779-L782 VanDerWaalsContact O-CB 3.3Å; M779-L782 WeakPolarHBondContact O-CB 3.48Å; M779-L782 WeakPolarHBondContact O-CG 3.16Å; M779-L782 PolarHBondContact O-N 2.86Å; M779-L782 VanDerWaalsContact O-N 3.1Å
780R98.6Very high94.3Very high3 Ų332.6 Ų32.61%0.01114%0.138CC..G310 helixtrans-54.3-39.6-172.9-147.2-170.6-68-92.56.4114.4V374 Y377 T573 G724 E765 Y778 L782 S783V374-R780 HydrophobicContact CG1-CB 3.63Å; V374-R780 HydrophobicContact CG1-CG 3.83Å; Y377-R780 HydrophobicContact CD2-CG 3.9Å; Y377-R780 HydrophobicContact CG-CG 3.78Å; T573-R780 PolarHBondContact OG1-NH1 2.83Å; T573-R780 PolarHBondContact OG1-NH2 3.23Å; G724-R780 WeakPolarHBondContact CA-O 3.45Å; E765-R780 VanDerWaalsContact CD-NE 3.33Å; E765-R780 IonicContact OE1-CZ 3.04Å; E765-R780 IonicContact OE1-NE 2.64Å; E765-R780 PolarHBondContact OE1-NE 2.81Å; E765-R780 IonicContact OE1-NH2 3.7Å; E765-R780 PolarHBondContact OE1-NH2 3.1Å; E765-R780 WeakPolarHBondContact OE2-CB 3.38Å; E765-R780 IonicContact OE2-NE 3.07Å; E765-R780 PolarHBondContact OE2-NE 2.89Å; Y778-R780 HydrophobicContact CD1-CB 3.81Å; Y778-R780 HydrophobicContact CE1-CB 3.98Å; R780-L782 PolarHBondContact O-N 2.95Å; R780-S783 WeakPolarHBondContact O-CB 3.44Å; R780-S783 PolarHBondContact O-N 3.33Å; R780-S783 PolarHBondContact O-OG 2.87Å
781P98.5Very high95.5Very high1 Ų127.2 Ų27.21%0.00611%0.114CC..G310 helixtrans-57.8-15.9177.3-25.533.7000116P723 Y727 T763 Y778 S783 I784P723-P781 HydrophobicContact CB-CB 4.38Å; P723-P781 HydrophobicContact CB-CG 4.14Å; Y727-P781 WeakPolarHBondContact CD2-O 3.4Å; Y727-P781 HydrophobicContact CE2-CB 4.35Å; T763-P781 HydrophobicContact CG2-CB 3.72Å; T763-P781 HydrophobicContact CG2-CG 3.54Å; Y778-P781 WeakPolarHBondContact O-CD 3.24Å; P781-S783 PolarHBondContact O-N 3.16Å; P781-I784 PolarHBondContact O-N 2.88Å
782L98.6Very high96.6Very high1 Ų123.6 Ų23.61%0.00510%0.099CC..G310 helixtrans-57.9-16.9170.2-71.1169.7000112.7Q324 L325 F327 I328 Y360 A378 A381 M779 R780 I784 W785Q324-L782 VanDerWaalsContact O-CD2 3.27Å; Q324-L782 WeakPolarHBondContact O-CD2 3.27Å; L325-L782 HydrophobicContact CD2-CD2 4.02Å; F327-L782 HydrophobicContact CB-CD2 4.5Å; F327-L782 HydrophobicContact CD1-CD1 4.25Å; I328-L782 HydrophobicContact CD1-CD1 3.73Å; I328-L782 HydrophobicContact CD1-CD2 4.33Å; I328-L782 HydrophobicContact CG1-CD1 4.4Å; I328-L782 HydrophobicContact CG1-CD2 4.21Å; Y360-L782 HydrophobicContact CE2-CD1 4.01Å; A378-L782 HydrophobicContact CB-CB 3.8Å; A378-L782 HydrophobicContact CB-CD1 4.02Å; A381-L782 HydrophobicContact CB-CB 4.24Å; M779-L782 VanDerWaalsContact O-CB 3.3Å; M779-L782 WeakPolarHBondContact O-CB 3.48Å; M779-L782 WeakPolarHBondContact O-CG 3.16Å; M779-L782 PolarHBondContact O-N 2.86Å; M779-L782 VanDerWaalsContact O-N 3.1Å; R780-L782 PolarHBondContact O-N 2.95Å; L782-I784 PolarHBondContact O-N 2.99Å; L782-W785 PolarHBondContact O-N 2.79Å; L782-W785 VanDerWaalsContact O-N 3.13Å
783S98.6Very high96.8Very high0 Ų017.7 Ų17.70%08%0.077CC..G310 helixtrans-59.7-11.5174.1710000114.9Y377 G724 Y727 R780 P781 W785 S786Y377-S783 WeakPolarHBondContact O-CA 3.3Å; Y377-S783 WeakPolarHBondContact O-CB 3.36Å; G724-S783 VanDerWaalsContact CA-OG 3.26Å; G724-S783 WeakPolarHBondContact CA-OG 3.37Å; G724-S783 WeakPolarHBondContact O-CB 3.44Å; G724-S783 PolarHBondContact O-OG 3.47Å; Y727-S783 WeakPolarHBondContact CB-OG 3.37Å; R780-S783 WeakPolarHBondContact O-CB 3.44Å; R780-S783 PolarHBondContact O-N 3.33Å; R780-S783 PolarHBondContact O-OG 2.87Å; P781-S783 PolarHBondContact O-N 3.16Å; S783-W785 PolarHBondContact O-N 2.66Å; S783-W785 VanDerWaalsContact O-N 3.11Å; S783-S786 WeakPolarHBondContact O-CA 3.46Å; S783-S786 WeakPolarHBondContact O-CB 3.42Å; S783-S786 PolarHBondContact O-N 2.8Å; S783-S786 PolarHBondContact O-OG 3.18Å
784I98.8Very high96.6Very high0 Ų015.5 Ų15.50%07%0.068CC..Hα-helixtrans-51.5-29.9167.6-167.4165.5000112.3Y317 A320 I321 Q324 Y727 P781 L782 S786 M787Y317-I784 HydrophobicContact CD2-CD1 4.42Å; Y317-I784 HydrophobicContact CE2-CD1 4.4Å; Y317-I784 HydrophobicContact CE2-CG1 4.12Å; A320-I784 HydrophobicContact CB-CD1 3.58Å; I321-I784 HydrophobicContact CB-CD1 4.35Å; I321-I784 HydrophobicContact CB-CG1 4.48Å; I321-I784 HydrophobicContact CG1-CG2 4.47Å; Q324-I784 HydrophobicContact CB-CG2 3.94Å; Q324-I784 HydrophobicContact CG-CG2 4.11Å; Y727-I784 HydrophobicContact CD1-CB 4.17Å; Y727-I784 HydrophobicContact CD1-CD1 4.24Å; Y727-I784 HydrophobicContact CD1-CG1 4.07Å; Y727-I784 HydrophobicContact CD2-CB 3.78Å; Y727-I784 HydrophobicContact CE1-CB 4.48Å; Y727-I784 HydrophobicContact CE1-CD1 3.87Å; Y727-I784 HydrophobicContact CE1-CG1 4.22Å; Y727-I784 HydrophobicContact CE2-CB 4.11Å; Y727-I784 HydrophobicContact CE2-CD1 4.43Å; Y727-I784 HydrophobicContact CG-CB 3.83Å; Y727-I784 HydrophobicContact CG-CG1 4.24Å; P781-I784 PolarHBondContact O-N 2.88Å; L782-I784 PolarHBondContact O-N 2.99Å; I784-S786 PolarHBondContact O-N 3Å; I784-M787 HydrophobicContact CG1-SD 4.22Å; I784-M787 VanDerWaalsContact O-CB 3.3Å; I784-M787 WeakPolarHBondContact O-CB 3.16Å; I784-M787 PolarHBondContact O-N 3.22Å
785W98.7Very high96.3Very high12 Ų1217.2 Ų17.25%0.0457%0.074CC..Hα-helixtrans-63.5-23.2174-81.786.6000113.9W303 I307 I321 F322 L325 A381 L385 L782 S783 M787 Q788 V789W303-W785 AromaticContact CZ3-CH2 3.79Å; W303-W785 HydrophobicContact CZ3-CH2 3.79Å; W303-W785 AromaticContact CZ3-CZ2 3.96Å; W303-W785 HydrophobicContact CZ3-CZ2 3.96Å; I307-W785 HydrophobicContact CD1-CH2 4.17Å; I307-W785 HydrophobicContact CD1-CZ3 4.45Å; I321-W785 HydrophobicContact CD1-CD2 4.14Å; I321-W785 HydrophobicContact CD1-CE3 4.23Å; I321-W785 HydrophobicContact CD1-CH2 4.18Å; I321-W785 HydrophobicContact CD1-CZ2 4.09Å; I321-W785 HydrophobicContact CD1-CZ3 4.25Å; I321-W785 HydrophobicContact CG1-CD2 4.09Å; I321-W785 HydrophobicContact CG1-CG 4.49Å; I321-W785 HydrophobicContact CG1-CH2 4.29Å; I321-W785 HydrophobicContact CG1-CZ2 3.72Å; I321-W785 PolarHBondContact O-NE1 2.56Å; I321-W785 VanDerWaalsContact O-NE1 3.13Å; F322-W785 HydrophobicContact CD1-CZ2 4.29Å; F322-W785 HydrophobicContact CE1-CH2 4.36Å; F322-W785 HydrophobicContact CE1-CZ2 4.41Å; L325-W785 HydrophobicContact CD1-CZ2 3.53Å; L325-W785 VanDerWaalsContact CD2-NE1 3.29Å; L325-W785 HydrophobicContact CG-CZ2 4.19Å; L325-W785 VanDerWaalsContact CG-NE1 3.3Å; A381-W785 HydrophobicContact CB-CB 3.96Å; A381-W785 HydrophobicContact CB-CG 3.83Å; L385-W785 HydrophobicContact CD1-CD2 3.98Å; L385-W785 HydrophobicContact CD1-CE3 4.17Å; L385-W785 HydrophobicContact CD1-CH2 4Å; L385-W785 HydrophobicContact CD1-CZ2 3.79Å; L385-W785 HydrophobicContact CD1-CZ3 4.18Å; L385-W785 HydrophobicContact CD2-CE3 4.28Å; L385-W785 HydrophobicContact CD2-CH2 3.86Å; L385-W785 HydrophobicContact CD2-CZ2 4.49Å; L385-W785 HydrophobicContact CD2-CZ3 3.74Å; L385-W785 HydrophobicContact CG-CE3 4.34Å; L385-W785 HydrophobicContact CG-CH2 4.45Å; L385-W785 HydrophobicContact CG-CZ3 4.27Å; L782-W785 PolarHBondContact O-N 2.79Å; L782-W785 VanDerWaalsContact O-N 3.13Å; S783-W785 PolarHBondContact O-N 2.66Å; S783-W785 VanDerWaalsContact O-N 3.11Å; W785-M787 PolarHBondContact O-N 3.09Å; W785-Q788 HydrophobicContact CE3-CB 4.28Å; W785-Q788 HydrophobicContact CE3-CG 4.45Å; W785-Q788 HydrophobicContact CZ3-CG 4.22Å; W785-Q788 PolarHBondContact O-N 2.64Å; W785-V789 WeakPolarHBondContact O-CG2 3.48Å; W785-V789 PolarHBondContact O-N 3.1Å
786S98.6Very high95.8Very high2 Ų220.5 Ų20.51%0.01410%0.102CC..Hα-helixtrans-62.7-32.9171.7-44.80000112.1P380 A731 S783 I784 A790P380-S786 WeakPolarHBondContact CG-OG 3.38Å; A731-S786 VanDerWaalsContact CB-C 3.48Å; A731-S786 WeakPolarHBondContact CB-O 3.27Å; S783-S786 WeakPolarHBondContact O-CA 3.46Å; S783-S786 WeakPolarHBondContact O-CB 3.42Å; S783-S786 PolarHBondContact O-N 2.8Å; S783-S786 PolarHBondContact O-OG 3.18Å; I784-S786 PolarHBondContact O-N 3Å; S786-A790 WeakPolarHBondContact O-CB 3.24Å; S786-A790 PolarHBondContact O-N 3.41Å
787M98.8Very high95.1Very high0 Ų025.4 Ų25.40%012%0.124CC..Hα-helixtrans-64.8-43.4175.6-63.1177.162.400110.4Y317 Y727 A730 A731 I734 A746 I784 W785 A790 L791Y317-M787 HydrophobicContact CD2-CE 4.14Å; Y317-M787 HydrophobicContact CE2-CB 4.06Å; Y317-M787 HydrophobicContact CE2-CE 3.85Å; Y317-M787 HydrophobicContact CE2-SD 4.06Å; Y727-M787 HydrophobicContact CD1-SD 3.96Å; A730-M787 HydrophobicContact CB-CE 4.04Å; A730-M787 HydrophobicContact CB-CG 4.19Å; A730-M787 HydrophobicContact CB-SD 3.87Å; A731-M787 HydrophobicContact CB-CG 4.11Å; I734-M787 HydrophobicContact CD1-CB 3.86Å; I734-M787 HydrophobicContact CD1-CE 3.9Å; I734-M787 HydrophobicContact CD1-CG 4.15Å; A746-M787 HydrophobicContact CB-CE 3.73Å; A746-M787 HydrophobicContact CB-SD 3.76Å; I784-M787 HydrophobicContact CG1-SD 4.22Å; I784-M787 VanDerWaalsContact O-CB 3.3Å; I784-M787 WeakPolarHBondContact O-CB 3.16Å; I784-M787 PolarHBondContact O-N 3.22Å; W785-M787 PolarHBondContact O-N 3.09Å; M787-A790 PolarHBondContact O-N 2.65Å; M787-L791 VanDerWaalsContact O-CG 3.28Å; M787-L791 WeakPolarHBondContact O-CG 3.37Å; M787-L791 PolarHBondContact O-N 2.98Å
788Q98.2Very high93.9Very high3 Ų333.5 Ų33.51%0.01415%0.154CC..Hα-helixtrans-63.8-45.9178.6-170.458.427.800111.8I307 Y317 I321 W785 A790 L791 E792I307-Q788 HydrophobicContact CD1-CG 3.93Å; Y317-Q788 WeakPolarHBondContact OH-CA 3.31Å; Y317-Q788 WeakPolarHBondContact OH-CB 3.22Å; Y317-Q788 PolarHBondContact OH-N 3.22Å; Y317-Q788 PolarHBondContact OH-OE1 2.98Å; I321-Q788 HydrophobicContact CD1-CB 3.53Å; I321-Q788 HydrophobicContact CD1-CG 3.91Å; W785-Q788 HydrophobicContact CE3-CB 4.28Å; W785-Q788 HydrophobicContact CE3-CG 4.45Å; W785-Q788 HydrophobicContact CZ3-CG 4.22Å; W785-Q788 PolarHBondContact O-N 2.64Å; Q788-A790 VanDerWaalsContact C-N 3.29Å; Q788-A790 PolarHBondContact O-N 3.5Å; Q788-L791 PolarHBondContact O-N 3.39Å; Q788-E792 PolarHBondContact NE2-OE1 2.72Å; Q788-E792 WeakPolarHBondContact O-CG 3.39Å; Q788-E792 PolarHBondContact O-N 3.48Å
789V96.9Very high91.5Very high9 Ų942.2 Ų42.26%0.05520%0.201CC..Hα-helixtrans-58.4-43.8175.5174.10000110.8H384 W785 R793H384-V789 VanDerWaalsContact CD2-CG2 3.42Å; H384-V789 WeakPolarHBondContact CD2-CG2 3.2Å; H384-V789 WeakPolarHBondContact NE2-CG2 3.25Å; W785-V789 WeakPolarHBondContact O-CG2 3.48Å; W785-V789 PolarHBondContact O-N 3.1Å; V789-R793 WeakPolarHBondContact O-CB 3.49Å; V789-R793 WeakPolarHBondContact O-CG 3.49Å; V789-R793 PolarHBondContact O-N 3.09Å
790A97.9Very high91.2Very high4 Ų444.4 Ų44.43%0.03321%0.212CC..Hα-helixtrans-63-43.5176.800000112.3I734 Q735 S786 M787 Q788 R794I734-A790 HydrophobicContact CB-CB 4Å; I734-A790 HydrophobicContact CG2-CB 3.62Å; Q735-A790 HydrophobicContact CG-CB 3.81Å; S786-A790 WeakPolarHBondContact O-CB 3.24Å; S786-A790 PolarHBondContact O-N 3.41Å; M787-A790 PolarHBondContact O-N 2.65Å; Q788-A790 VanDerWaalsContact C-N 3.29Å; Q788-A790 PolarHBondContact O-N 3.5Å; A790-R794 WeakPolarHBondContact O-CB 3.45Å; A790-R794 WeakPolarHBondContact O-CG 3.48Å; A790-R794 PolarHBondContact O-N 3.43Å
791L97.1Very high90.8Very high9 Ų946.5 Ų46.55%0.04722%0.222CC..Hα-helixtrans-61.7-48.7177.6-73.8163000111.9L313 Y317 I734 F739 F743 M787 Q788 R794 R795L313-L791 HydrophobicContact CD2-CD1 3.84Å; Y317-L791 HydrophobicContact CE1-CD1 4.29Å; I734-L791 HydrophobicContact CD1-CD1 4.46Å; I734-L791 HydrophobicContact CD1-CD2 4.37Å; I734-L791 HydrophobicContact CD1-CG 4.14Å; I734-L791 HydrophobicContact CG2-CD2 3.94Å; I734-L791 HydrophobicContact CG2-CG 4.02Å; F739-L791 HydrophobicContact CD1-CD2 4.29Å; F739-L791 HydrophobicContact CE1-CD2 4.01Å; F743-L791 HydrophobicContact CE2-CD2 4.39Å; F743-L791 HydrophobicContact CZ-CD1 4.18Å; M787-L791 VanDerWaalsContact O-CG 3.28Å; M787-L791 WeakPolarHBondContact O-CG 3.37Å; M787-L791 PolarHBondContact O-N 2.98Å; Q788-L791 PolarHBondContact O-N 3.39Å; L791-R794 PolarHBondContact O-N 2.89Å; L791-R795 WeakPolarHBondContact O-CG 3.43Å; L791-R795 PolarHBondContact O-N 3.42Å
792E93.7Very high90.4Very high89 Ų8949.1 Ų49.142%0.41623%0.234SC..Hα-helixtrans-63.8-46.2-178.4-73.5173.9-179.800111.6Q788 R794 R795 A796Q788-E792 PolarHBondContact NE2-OE1 2.72Å; Q788-E792 WeakPolarHBondContact O-CG 3.39Å; Q788-E792 PolarHBondContact O-N 3.48Å; E792-R794 VanDerWaalsContact C-N 3.34Å; E792-R794 PolarHBondContact O-N 3.22Å; E792-R795 WeakPolarHBondContact O-CB 3.4Å; E792-R795 PolarHBondContact O-N 2.95Å; E792-R795 VanDerWaalsContact O-N 3.16Å; E792-A796 PolarHBondContact O-N 3.17Å
793R91.6Very high89.9Confident34 Ų3451.9 Ų51.913%0.12825%0.247CC..Hα-helixtrans-63.6-39.1176.3-74.3-171.2178.7149.911.9112.7Y468 E472 K658 S659 V789 R795 A796 Q797Y468-R793 VanDerWaalsContact CE1-NH2 3.28Å; E472-R793 IonicContact OE1-CZ 2.81Å; E472-R793 IonicContact OE1-NE 2.74Å; E472-R793 PolarHBondContact OE1-NE 3.36Å; E472-R793 IonicContact OE1-NH2 2.73Å; E472-R793 IonicContact OE2-CZ 3.69Å; E472-R793 IonicContact OE2-NE 2.83Å; E472-R793 PolarHBondContact OE2-NE 3.42Å; E472-R793 IonicContact OE2-NH2 3.18Å; E472-R793 PolarHBondContact OE2-NH2 3.31Å; K658-R793 PolarHBondContact O-NH1 2.76Å; S659-R793 VanDerWaalsContact CA-NH1 3.25Å; S659-R793 PolarHBondContact O-NH1 2.8Å; S659-R793 PolarHBondContact O-NH2 2.83Å; V789-R793 WeakPolarHBondContact O-CB 3.49Å; V789-R793 WeakPolarHBondContact O-CG 3.49Å; V789-R793 PolarHBondContact O-N 3.09Å; R793-R795 VanDerWaalsContact C-N 3.27Å; R793-R795 PolarHBondContact O-N 3.44Å; R793-A796 PolarHBondContact O-N 2.88Å; R793-Q797 WeakPolarHBondContact O-CG 3.37Å; R793-Q797 PolarHBondContact O-N 2.91Å
794R89.8Confident89.4Confident67 Ų6755.1 Ų55.125%0.25326%0.263SS..Hα-helixtrans-63.8-34.1175.7-75.3-121.663.6142.50.4112.3I734 Q735 A790 L791 E792 R798I734-R794 WeakPolarHBondContact O-CD 3.38Å; Q735-R794 PolarHBondContact O-NH1 2.93Å; A790-R794 WeakPolarHBondContact O-CB 3.45Å; A790-R794 WeakPolarHBondContact O-CG 3.48Å; A790-R794 PolarHBondContact O-N 3.43Å; L791-R794 PolarHBondContact O-N 2.89Å; E792-R794 VanDerWaalsContact C-N 3.34Å; E792-R794 PolarHBondContact O-N 3.22Å; R794-R798 WeakPolarHBondContact O-CG 3.45Å; R794-R798 PolarHBondContact O-N 3.3Å
795R87.6Confident88.8Confident83 Ų8358.8 Ų58.831%0.31328%0.28SS..Hα-helixtrans-68.2-48.4173.8-71.9169.7-176.5179.1-1.6110.9D310 T312 L791 E792 R793 Q797 R798 D799D310-R795 IonicContact OD1-NH2 3.31Å; D310-R795 IonicContact OD2-CZ 3.51Å; D310-R795 IonicContact OD2-NH1 3.04Å; D310-R795 PolarHBondContact OD2-NH1 3.31Å; D310-R795 IonicContact OD2-NH2 3.37Å; D310-R795 PolarHBondContact OD2-NH2 2.85Å; T312-R795 PolarHBondContact OG1-NH2 3.37Å; T312-R795 VanDerWaalsContact OG1-NH2 3.11Å; L791-R795 WeakPolarHBondContact O-CG 3.43Å; L791-R795 PolarHBondContact O-N 3.42Å; E792-R795 WeakPolarHBondContact O-CB 3.4Å; E792-R795 PolarHBondContact O-N 2.95Å; E792-R795 VanDerWaalsContact O-N 3.16Å; R793-R795 VanDerWaalsContact C-N 3.27Å; R793-R795 PolarHBondContact O-N 3.44Å; R795-Q797 PolarHBondContact O-N 3.35Å; R795-Q797 VanDerWaalsContact O-N 3.15Å; R795-R798 WeakPolarHBondContact O-CB 3.29Å; R795-R798 PolarHBondContact O-N 3.3Å; R795-D799 PolarHBondContact O-N 3.35Å; R795-D799 VanDerWaalsContact O-N 3.07Å
796A84.2Confident88Confident70 Ų7062.1 Ų62.158%0.57930%0.297SS*.Hα-helixtrans-61.1-23.9177.400000114.2E792 R793E792-A796 PolarHBondContact O-N 3.17Å; R793-A796 PolarHBondContact O-N 2.88Å
797Q78.6Confident87.2Confident140 Ų14066.8 Ų66.865%0.65432%0.319SS*.THydrogen-bonded Turntrans-83.6-17173.2-72.3174-4.400114.1R793 R795R793-Q797 WeakPolarHBondContact O-CG 3.37Å; R793-Q797 PolarHBondContact O-N 2.91Å; R795-Q797 PolarHBondContact O-N 3.35Å; R795-Q797 VanDerWaalsContact O-N 3.15Å
798R70.4Confident86.3Confident171 Ų17172.3 Ų72.365%0.64535%0.346SS*.THydrogen-bonded Turntrans-90.3-37.4178.4-76.1176.8177.4-175.22111.8R794 R795R794-R798 WeakPolarHBondContact O-CG 3.45Å; R794-R798 PolarHBondContact O-N 3.3Å; R795-R798 WeakPolarHBondContact O-CB 3.29Å; R795-R798 PolarHBondContact O-N 3.3Å
799D49.5Very low85.2Confident189 Ų18978.6 Ų78.6100%1.01138%0.376SS*.  trans-77.10174.2-61.7-23.6000111R795R795-D799 PolarHBondContact O-N 3.35Å; R795-D799 VanDerWaalsContact O-N 3.07Å

Retrieved 799 of 799 residues in 1659.5 ms (Link to these results)

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