G4VGE1_SCHMA Loading...

Putative 50s ribosomal protein L13

AlphaFold DB , UniProt , Accession G4VGE1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 196 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
1M72.9Confident86Confident209 Ų209131.4 Ų131.4100%1.0361%0.61SS**  0-41.40-91.1-173.8-99.300113.8H3M1-H3 PolarHBondContact O-N 3.42Å
2S86.9Confident86.1Confident94 Ų94128.4 Ų128.466%0.65759%0.594SS**Hα-helixtrans-58.3-43.2179.953.80000113.9W4 R5 V6S2-W4 PolarHBondContact O-N 3.1Å; S2-R5 WeakPolarHBondContact O-CB 3.49Å; S2-R5 PolarHBondContact O-N 3.15Å; S2-R5 VanDerWaalsContact O-N 3.15Å; S2-V6 WeakPolarHBondContact O-CG2 3.39Å; S2-V6 PolarHBondContact O-N 3.38Å; S2-V6 VanDerWaalsContact O-N 3.1Å
3H87.8Confident86.4Confident118 Ų118122.7 Ų122.755%0.54658%0.583SS.*Hα-helixtrans-54.6-48.6-179.6177.971.2000113.6M1 R5 V6 L7M1-H3 PolarHBondContact O-N 3.42Å; H3-R5 VanDerWaalsContact C-N 3.3Å; H3-R5 PolarHBondContact O-N 2.95Å; H3-V6 PolarHBondContact O-N 3.43Å; H3-V6 VanDerWaalsContact O-N 3.16Å; H3-L7 VanDerWaalsContact NE2-CD1 3.32Å; H3-L7 WeakPolarHBondContact NE2-CD1 3.32Å; H3-L7 PolarHBondContact O-N 3.37Å
4W88.4Confident86.9Confident192 Ų192123 Ų12373%0.72758%0.575SS**Hα-helixtrans-62-37179-69.2115.2000112.8S2 L7 Q8S2-W4 PolarHBondContact O-N 3.1Å; W4-L7 HydrophobicContact CE3-CD1 3.99Å; W4-L7 HydrophobicContact CZ3-CD1 4.14Å; W4-L7 PolarHBondContact O-N 2.96Å; W4-Q8 WeakPolarHBondContact O-CB 3.05Å; W4-Q8 PolarHBondContact O-N 3.34Å
5R90.8Very high87.4Confident151 Ų151121.4 Ų121.457%0.5757%0.568SS**Hα-helixtrans-64.8-41.1175.4-175.2-176.5-63.3-111.1-0.4111.7S2 H3 Q8 W9S2-R5 WeakPolarHBondContact O-CB 3.49Å; S2-R5 PolarHBondContact O-N 3.15Å; S2-R5 VanDerWaalsContact O-N 3.15Å; H3-R5 VanDerWaalsContact C-N 3.3Å; H3-R5 PolarHBondContact O-N 2.95Å; R5-Q8 WeakPolarHBondContact O-CB 3.45Å; R5-Q8 PolarHBondContact O-N 3Å; R5-W9 HydrophobicContact CG-CD2 4.18Å; R5-W9 HydrophobicContact CG-CH2 4.39Å; R5-W9 HydrophobicContact CG-CZ2 3.81Å; R5-W9 VanDerWaalsContact O-CG 3.31Å; R5-W9 PolarHBondContact O-N 3.43Å
6V89.3Confident88Confident88 Ų88116.9 Ų116.953%0.53354%0.544SS..Hα-helixtrans-66.1-43.1177.5178.50000111S2 H3 Q8 W9 R10S2-V6 WeakPolarHBondContact O-CG2 3.39Å; S2-V6 PolarHBondContact O-N 3.38Å; S2-V6 VanDerWaalsContact O-N 3.1Å; H3-V6 PolarHBondContact O-N 3.43Å; H3-V6 VanDerWaalsContact O-N 3.16Å; V6-Q8 VanDerWaalsContact C-N 3.3Å; V6-Q8 PolarHBondContact O-N 2.89Å; V6-W9 PolarHBondContact O-N 3.29Å; V6-R10 WeakPolarHBondContact O-CB 3.44Å; V6-R10 PolarHBondContact O-N 3.16Å
7L87.2Confident88.5Confident75 Ų75110.7 Ų110.739%0.39352%0.515SS..Hα-helixtrans-59.7-42.4174.5-72.2178.7000111.7H3 W4 R10 A11H3-L7 VanDerWaalsContact NE2-CD1 3.32Å; H3-L7 WeakPolarHBondContact NE2-CD1 3.32Å; H3-L7 PolarHBondContact O-N 3.37Å; W4-L7 HydrophobicContact CE3-CD1 3.99Å; W4-L7 HydrophobicContact CZ3-CD1 4.14Å; W4-L7 PolarHBondContact O-N 2.96Å; L7-R10 PolarHBondContact O-N 3.5Å; L7-A11 WeakPolarHBondContact O-CB 3.4Å; L7-A11 PolarHBondContact O-N 3.07Å
8Q86.4Confident89Confident110 Ų110105.7 Ų105.751%0.51449%0.492SS..Hα-helixtrans-61-48.6176.5-173.9-177-10.200111.5W4 R5 V6 R10 A11 F12W4-Q8 WeakPolarHBondContact O-CB 3.05Å; W4-Q8 PolarHBondContact O-N 3.34Å; R5-Q8 WeakPolarHBondContact O-CB 3.45Å; R5-Q8 PolarHBondContact O-N 3Å; V6-Q8 VanDerWaalsContact C-N 3.3Å; V6-Q8 PolarHBondContact O-N 2.89Å; Q8-R10 VanDerWaalsContact C-N 3.32Å; Q8-R10 PolarHBondContact O-N 2.91Å; Q8-A11 PolarHBondContact O-N 3.36Å; Q8-F12 HydrophobicContact CG-CD2 3.72Å; Q8-F12 HydrophobicContact CG-CE2 3.44Å; Q8-F12 VanDerWaalsContact CG-CE2 3.44Å; Q8-F12 WeakPolarHBondContact O-CD2 3.44Å; Q8-F12 PolarHBondContact O-N 3.31Å; Q8-F12 VanDerWaalsContact O-N 3.07Å
9W87.2Confident89.5Confident163 Ų163100.1 Ų100.162%0.61747%0.467SS*.Hα-helixtrans-63.6-38.6178.2-68.1-9.3000112.7R5 V6 A11 F12 A13R5-W9 HydrophobicContact CG-CD2 4.18Å; R5-W9 HydrophobicContact CG-CH2 4.39Å; R5-W9 HydrophobicContact CG-CZ2 3.81Å; R5-W9 VanDerWaalsContact O-CG 3.31Å; R5-W9 PolarHBondContact O-N 3.43Å; V6-W9 PolarHBondContact O-N 3.29Å; W9-A11 VanDerWaalsContact C-N 3.34Å; W9-F12 CarbonylContact O-C 3.39Å; W9-F12 PolarHBondContact O-N 3.24Å; W9-A13 PolarHBondContact O-N 3.47Å
10R85.4Confident89.9Confident202 Ų20297.4 Ų97.476%0.76246%0.456SS*.Hα-helixtrans-64.9-39.1175.5-177.5176.2160.1164.6-3.8111.6V6 L7 Q8 F12 A13V6-R10 WeakPolarHBondContact O-CB 3.44Å; V6-R10 PolarHBondContact O-N 3.16Å; L7-R10 PolarHBondContact O-N 3.5Å; Q8-R10 VanDerWaalsContact C-N 3.32Å; Q8-R10 PolarHBondContact O-N 2.91Å; R10-F12 VanDerWaalsContact C-N 3.32Å; R10-F12 PolarHBondContact O-N 3.45Å; R10-A13 WeakPolarHBondContact O-CB 3.45Å; R10-A13 PolarHBondContact O-N 3.41Å
11A84.3Confident90.2Very high43 Ų4392.8 Ų92.836%0.35543%0.434SS..Hα-helixtrans-64.1-37.6175.400000111.9L7 Q8 W9 Y44L7-A11 WeakPolarHBondContact O-CB 3.4Å; L7-A11 PolarHBondContact O-N 3.07Å; Q8-A11 PolarHBondContact O-N 3.36Å; W9-A11 VanDerWaalsContact C-N 3.34Å; A11-Y44 PolarHBondContact O-OH 2.74Å
12F87.1Confident91.3Very high96 Ų9686.2 Ų86.242%0.42140%0.4SS..THydrogen-bonded Turntrans-90.11.1178.9-61.9-56.2000114.5Q8 W9 R10 Y44 F51Q8-F12 HydrophobicContact CG-CD2 3.72Å; Q8-F12 HydrophobicContact CG-CE2 3.44Å; Q8-F12 VanDerWaalsContact CG-CE2 3.44Å; Q8-F12 WeakPolarHBondContact O-CD2 3.44Å; Q8-F12 PolarHBondContact O-N 3.31Å; Q8-F12 VanDerWaalsContact O-N 3.07Å; W9-F12 CarbonylContact O-C 3.39Å; W9-F12 PolarHBondContact O-N 3.24Å; R10-F12 VanDerWaalsContact C-N 3.32Å; R10-F12 PolarHBondContact O-N 3.45Å; F12-Y44 HydrophobicContact CD1-CE2 4.21Å; F12-Y44 HydrophobicContact CE1-CD2 4.09Å; F12-Y44 HydrophobicContact CE1-CE2 4.07Å; F12-F51 AromaticContact CD1-CD1 3.69Å; F12-F51 HydrophobicContact CD1-CD1 3.69Å; F12-F51 AromaticContact CD1-CE1 3.21Å; F12-F51 HydrophobicContact CD1-CE1 3.21Å; F12-F51 HydrophobicContact CD1-CZ 4.07Å; F12-F51 HydrophobicContact CE1-CD1 4.12Å; F12-F51 AromaticContact CE1-CE1 3.3Å; F12-F51 HydrophobicContact CE1-CE1 3.3Å; F12-F51 AromaticContact CE1-CZ 3.66Å; F12-F51 HydrophobicContact CE1-CZ 3.66Å; F12-F51 HydrophobicContact CG-CE1 4.33Å; F12-F51 HydrophobicContact CZ-CE1 4.46Å
13A90.3Very high91.6Very high54 Ų5484.4 Ų84.445%0.44638%0.382SS..SBendtrans-67.1138.1175.600000109.4W9 R10W9-A13 PolarHBondContact O-N 3.47Å; R10-A13 WeakPolarHBondContact O-CB 3.45Å; R10-A13 PolarHBondContact O-N 3.41Å
14R92.4Very high91.9Very high127 Ų12778.8 Ų78.848%0.47936%0.356SS..PPolyproline II helixtrans-78.6128177.2-65.3-176.3177.987.7-2.2109.2D50 G52R14-D50 IonicContact CZ-OD2 3.73Å; R14-D50 IonicContact NE-OD2 3.76Å; R14-D50 IonicContact NH2-OD2 2.83Å; R14-D50 PolarHBondContact NH2-OD2 2.96Å; R14-G52 WeakPolarHBondContact CD-O 3.16Å; R14-G52 WeakPolarHBondContact CG-O 3.48Å
15E94.6Very high92.2Very high99 Ų9970 Ų7046%0.46332%0.324SS..PPolyproline II helixtrans-89.2157.7174.8-65.7-177.7172.700110.6L17 N53 H54E15-L17 HydrophobicContact CB-CD2 4.33Å; E15-N53 PolarHBondContact N-OD1 3.12Å; E15-N53 WeakPolarHBondContact O-CB 3.38Å; E15-H54 PolarHBondContact O-N 3.14Å
16W97.2Very high92.4Very high50 Ų5062.9 Ų62.919%0.18930%0.296CS..EExtended strand (participates in β ladder)trans-108.3118.2171.3-71.771.2000108.6H54 V56 H126 I139 N142 S144 G145W16-H54 HydrophobicContact CB-CB 4.4Å; W16-H54 HydrophobicContact CD2-CB 3.47Å; W16-H54 VanDerWaalsContact CD2-CB 3.47Å; W16-H54 AromaticContact CD2-CG 3.82Å; W16-H54 AromaticContact CE2-CD2 3.64Å; W16-H54 AromaticContact CE2-CG 3.6Å; W16-H54 HydrophobicContact CE3-CB 3.63Å; W16-H54 HydrophobicContact CG-CB 3.83Å; W16-H54 HydrophobicContact CH2-CB 4.44Å; W16-H54 AromaticContact CH2-ND1 3.86Å; W16-H54 HydrophobicContact CZ2-CB 4.3Å; W16-H54 AromaticContact CZ2-CD2 3.89Å; W16-H54 AromaticContact CZ2-CE1 3.92Å; W16-H54 AromaticContact CZ2-CG 3.75Å; W16-H54 AromaticContact CZ2-ND1 3.79Å; W16-H54 HydrophobicContact CZ3-CB 4.13Å; W16-H54 AromaticContact NE1-CD2 3.66Å; W16-V56 HydrophobicContact CE3-CG2 3.91Å; W16-V56 HydrophobicContact CZ3-CG2 4.27Å; W16-H126 AromaticContact CH2-CD2 4Å; W16-H126 AromaticContact CH2-NE2 3.39Å; W16-H126 WeakPolarHBondContact CH2-NE2 3.39Å; W16-H126 AromaticContact CZ3-CD2 3.39Å; W16-H126 WeakPolarHBondContact CZ3-CD2 3.39Å; W16-H126 AromaticContact CZ3-NE2 3.3Å; W16-H126 VanDerWaalsContact CZ3-NE2 3.3Å; W16-H126 WeakPolarHBondContact CZ3-NE2 3.36Å; W16-I139 HydrophobicContact CE3-CG2 3.93Å; W16-I139 HydrophobicContact CH2-CG1 4.18Å; W16-I139 HydrophobicContact CZ3-CB 4.27Å; W16-I139 HydrophobicContact CZ3-CD1 4.3Å; W16-I139 HydrophobicContact CZ3-CG1 3.85Å; W16-I139 HydrophobicContact CZ3-CG2 3.72Å; W16-N142 HydrophobicContact CB-CB 4.37Å; W16-N142 WeakPolarHBondContact CB-O 3.3Å; W16-N142 HydrophobicContact CD2-CB 4.12Å; W16-N142 HydrophobicContact CG-CB 3.9Å; W16-S144 PolarHBondContact O-N 2.84Å; W16-S144 PolarHBondContact O-OG 3.42Å; W16-G145 PolarHBondContact O-N 2.93Å
17L97.2Very high92.6Very high11 Ų1161.8 Ų61.86%0.05829%0.286CS..EExtended strand (participates in β ladder)trans-116.8137-174.5-57.2176.9000109.9E15 Y36 N53 H54 V55 V56 G145 I147E15-L17 HydrophobicContact CB-CD2 4.33Å; L17-Y36 HydrophobicContact CD1-CD1 3.37Å; L17-Y36 HydrophobicContact CD1-CE1 3.99Å; L17-Y36 HydrophobicContact CD1-CG 4.09Å; L17-N53 HydrophobicContact CD1-CB 4.12Å; L17-N53 HydrophobicContact CG-CB 4.45Å; L17-H54 PolarHBondContact N-O 2.99Å; L17-V55 CarbonylContact O-C 3.42Å; L17-V55 WeakPolarHBondContact O-CA 3.39Å; L17-V56 PolarHBondContact O-N 2.77Å; L17-G145 CarbonylContact C-O 3.56Å; L17-G145 WeakPolarHBondContact CA-O 3.5Å; L17-I147 HydrophobicContact CB-CD1 3.85Å; L17-I147 HydrophobicContact CB-CG1 3.86Å; L17-I147 HydrophobicContact CD1-CD1 4.3Å; L17-I147 HydrophobicContact CD1-CG1 4.19Å
18I97.3Very high93Very high20 Ų2061.4 Ų61.410%0.10328%0.284CS..EExtended strand (participates in β ladder)trans-100.3139.1175.5-168.7167.7000111.2V56 I58 I132 I135 I143 G145 V146 I147I18-V56 CarbonylContact C-O 3.49Å; I18-V56 VanDerWaalsContact CA-O 3.26Å; I18-V56 WeakPolarHBondContact CA-O 3.49Å; I18-I58 HydrophobicContact CD1-CD1 4.05Å; I18-I58 HydrophobicContact CD1-CG1 4.37Å; I18-I58 HydrophobicContact CD1-CG2 3.86Å; I18-I58 HydrophobicContact CG1-CG1 4.45Å; I18-I58 HydrophobicContact CG1-CG2 4.24Å; I18-I132 HydrophobicContact CD1-CG1 4.39Å; I18-I135 HydrophobicContact CD1-CD1 4.25Å; I18-I143 HydrophobicContact CB-CD1 4.3Å; I18-I143 HydrophobicContact CB-CG2 4.03Å; I18-I143 HydrophobicContact CD1-CD1 4.1Å; I18-I143 HydrophobicContact CG2-CG2 3.89Å; I18-G145 PolarHBondContact N-O 3.31Å; I18-V146 HydrophobicContact CG2-CB 4.19Å; I18-V146 HydrophobicContact CG2-CG1 4.21Å; I18-V146 HydrophobicContact CG2-CG2 3.73Å; I18-V146 CarbonylContact O-C 3.45Å; I18-V146 WeakPolarHBondContact O-CA 3.34Å; I18-I147 PolarHBondContact O-N 2.95Å
19Y97.7Very high93.5Very high0 Ų056.1 Ų56.10%026%0.26CS..EExtended strand (participates in β ladder)trans-125.6124.6174.7178.8-105.7000109.7A21 S29 I33 V56 V57 I58 I147Y19-A21 HydrophobicContact CD1-CB 4.4Å; Y19-A21 HydrophobicContact CE1-CB 4.15Å; Y19-S29 WeakPolarHBondContact OH-CB 3.18Å; Y19-S29 PolarHBondContact OH-OG 2.8Å; Y19-I33 HydrophobicContact CD1-CD1 3.83Å; Y19-I33 HydrophobicContact CD1-CG1 4.06Å; Y19-I33 HydrophobicContact CE1-CD1 4.11Å; Y19-I33 HydrophobicContact CE1-CG1 4.47Å; Y19-I33 HydrophobicContact CG-CG1 4.32Å; Y19-V56 PolarHBondContact N-O 2.92Å; Y19-V57 HydrophobicContact CD1-CG1 4.15Å; Y19-V57 HydrophobicContact CD1-CG2 4.36Å; Y19-V57 WeakPolarHBondContact O-CA 3.35Å; Y19-I58 PolarHBondContact O-N 3.17Å; Y19-I147 HydrophobicContact CD2-CB 3.87Å; Y19-I147 HydrophobicContact CD2-CG2 3.62Å; Y19-I147 HydrophobicContact CE2-CG2 4.27Å; Y19-I147 HydrophobicContact CG-CB 4.49Å
20D97.1Very high94Very high46 Ų4648.4 Ų48.425%0.24623%0.23CC..EExtended strand (participates in β ladder)trans-88.7113.8175.2179.413000110.8F22 I58 N59 Q149D20-F22 VanDerWaalsContact C-N 3.32Å; D20-F22 WeakPolarHBondContact OD1-CB 3.36Å; D20-F22 PolarHBondContact OD1-N 3.02Å; D20-I58 HydrophobicContact CB-CD1 4.28Å; D20-I58 HydrophobicContact CB-CG1 4.16Å; D20-N59 PolarHBondContact OD1-ND2 3.12Å; D20-Q149 VanDerWaalsContact CG-NE2 3.28Å; D20-Q149 WeakPolarHBondContact O-CG 3.42Å; D20-Q149 PolarHBondContact O-NE2 2.76Å; D20-Q149 PolarHBondContact OD2-NE2 3.22Å
21A96.8Very high94.6Very high0 Ų044.4 Ų44.40%022%0.221CC..  trans-88.17.1-179.700000114.1Y19 M23 Q24 V57 I58 I63 I104Y19-A21 HydrophobicContact CD1-CB 4.4Å; Y19-A21 HydrophobicContact CE1-CB 4.15Å; A21-M23 PolarHBondContact O-N 2.94Å; A21-Q24 WeakPolarHBondContact O-CB 3.4Å; A21-Q24 PolarHBondContact O-N 3.38Å; A21-V57 HydrophobicContact CB-CG1 3.79Å; A21-I58 VanDerWaalsContact CB-O 3.27Å; A21-I58 WeakPolarHBondContact CB-O 3.36Å; A21-I58 PolarHBondContact N-O 3.34Å; A21-I63 HydrophobicContact CB-CG2 3.74Å; A21-I104 HydrophobicContact CB-CD1 3.92Å
22F95.7Very high95.2Very high72 Ų7246 Ų4632%0.31622%0.218SC..THydrogen-bonded Turntrans-58.8121.2179.5-174.8-103.5000113D20 Q24 N59 H62 V153D20-F22 VanDerWaalsContact C-N 3.32Å; D20-F22 WeakPolarHBondContact OD1-CB 3.36Å; D20-F22 PolarHBondContact OD1-N 3.02Å; F22-Q24 WeakPolarHBondContact O-CG 3.4Å; F22-Q24 PolarHBondContact O-N 3.17Å; F22-Q24 VanDerWaalsContact O-N 3.09Å; F22-Q24 PolarHBondContact O-NE2 3.28Å; F22-N59 HydrophobicContact CB-CB 4.1Å; F22-H62 HydrophobicContact CD2-CB 3.52Å; F22-H62 AromaticContact CD2-CG 3.94Å; F22-H62 HydrophobicContact CE2-CB 3.98Å; F22-V153 HydrophobicContact CD1-CG1 3.91Å; F22-V153 HydrophobicContact CD1-CG2 4.37Å; F22-V153 HydrophobicContact CE1-CG1 3.82Å
23M93.7Very high95.7Very high56 Ų5641.5 Ų41.528%0.27620%0.197SC..THydrogen-bonded Turntrans51.227.7-174.4-70.5-156.7-99.200114.2A21 H62 A64 M151 V153 P154A21-M23 PolarHBondContact O-N 2.94Å; M23-H62 WeakPolarHBondContact CA-O 3.29Å; M23-H62 PolarHBondContact N-O 2.89Å; M23-A64 HydrophobicContact CB-CB 4.47Å; M23-M151 WeakPolarHBondContact O-CE 3.45Å; M23-V153 HydrophobicContact CB-CG1 4.46Å; M23-V153 HydrophobicContact CE-CG1 3.46Å; M23-V153 VanDerWaalsContact CE-CG1 3.46Å; M23-P154 HydrophobicContact CE-CG 4.11Å; M23-P154 HydrophobicContact SD-CG 3.83Å
24Q94.8Very high96Very high0 Ų039.2 Ų39.20%018%0.179CC..  trans-96.9149.1177.3-58-59.5-59.700111.8A21 F22 S29 A64 Q149 M151A21-Q24 WeakPolarHBondContact O-CB 3.4Å; A21-Q24 PolarHBondContact O-N 3.38Å; F22-Q24 WeakPolarHBondContact O-CG 3.4Å; F22-Q24 PolarHBondContact O-N 3.17Å; F22-Q24 VanDerWaalsContact O-N 3.09Å; F22-Q24 PolarHBondContact O-NE2 3.28Å; Q24-S29 WeakPolarHBondContact CB-OG 3.47Å; Q24-A64 CarbonylContact C-O 3.36Å; Q24-A64 PolarHBondContact O-N 2.86Å; Q24-Q149 HydrophobicContact CG-CG 4.32Å; Q24-M151 PolarHBondContact NE2-O 3.22Å; Q24-M151 PolarHBondContact OE1-O 2.83Å
25C94.4Very high96.2Very high8 Ų837.8 Ų37.85%0.05418%0.176CC..  trans-78.8121.6177.7175.90000109.4M27 L28 S29 A64 M151C25-M27 PolarHBondContact O-N 3.14Å; C25-M27 VanDerWaalsContact O-N 3.14Å; C25-L28 HydrophobicContact CB-CB 4.23Å; C25-L28 HydrophobicContact CB-CD1 4.11Å; C25-L28 HydrophobicContact CB-CG 4.2Å; C25-L28 PolarHBondContact O-N 3.08Å; C25-L28 VanDerWaalsContact O-N 3.14Å; C25-S29 WeakPolarHBondContact O-CB 3.39Å; C25-S29 PolarHBondContact O-N 3.29Å; C25-S29 PolarHBondContact O-OG 3.21Å; C25-A64 WeakPolarHBondContact CA-O 3.33Å; C25-A64 PolarHBondContact N-O 3.38Å; C25-M151 HydrophobicContact CB-CE 3.69Å; C25-M151 HydrophobicContact CB-SD 4.08Å
26P94.9Very high96.3Very high0 Ų034.7 Ų34.70%016%0.16CC..Hα-helixtrans-59.8-33-171.823.4-34.2000113.3A30 I63 M92 V103 E107P26-A30 WeakPolarHBondContact O-CB 3.45Å; P26-A30 PolarHBondContact O-N 3.46Å; P26-I63 HydrophobicContact CB-CD1 4.12Å; P26-I63 HydrophobicContact CG-CD1 4.34Å; P26-M92 HydrophobicContact CG-CE 4.47Å; P26-M92 HydrophobicContact CG-SD 4.47Å; P26-V103 HydrophobicContact CB-CG1 3.9Å; P26-V103 HydrophobicContact CG-CG1 4.11Å; P26-E107 HydrophobicContact CB-CG 4.14Å
27M93.9Very high96.3Very high65 Ų6532.3 Ų32.332%0.3215%0.151SC..Hα-helixtrans-68.3-48.1178.1-54.9170.880.300111.9C25 A30 E31 Y71C25-M27 PolarHBondContact O-N 3.14Å; C25-M27 VanDerWaalsContact O-N 3.14Å; M27-A30 WeakPolarHBondContact O-CB 3.34Å; M27-A30 PolarHBondContact O-N 3.25Å; M27-E31 PolarHBondContact O-N 3.48Å; M27-E31 VanDerWaalsContact O-N 3.09Å; M27-Y71 WeakPolarHBondContact CE-OH 3.45Å; M27-Y71 HydrophobicContact SD-CE1 3.92Å; M27-Y71 PolarHBondContact SD-OH 3.38Å
28L95.2Very high96.2Very high67 Ų6732.7 Ų32.735%0.35115%0.154SC..Hα-helixtrans-69.1-37.3178.4-63.7-180000111.3C25 R32 V150 M151C25-L28 HydrophobicContact CB-CB 4.23Å; C25-L28 HydrophobicContact CB-CD1 4.11Å; C25-L28 HydrophobicContact CB-CG 4.2Å; C25-L28 PolarHBondContact O-N 3.08Å; C25-L28 VanDerWaalsContact O-N 3.14Å; L28-R32 PolarHBondContact O-N 3.01Å; L28-R32 VanDerWaalsContact O-N 3.13Å; L28-V150 HydrophobicContact CB-CB 4.45Å; L28-V150 HydrophobicContact CB-CG1 3.99Å; L28-V150 HydrophobicContact CD1-CG1 4.3Å; L28-M151 HydrophobicContact CD1-CG 4.4Å; L28-M151 HydrophobicContact CD1-SD 4.2Å
29S96.9Very high96Very high0 Ų031.8 Ų31.80%015%0.149CC..Hα-helixtrans-60.4-45.4171.4-63.70000111Y19 Q24 C25 E31 R32 I33Y19-S29 WeakPolarHBondContact OH-CB 3.18Å; Y19-S29 PolarHBondContact OH-OG 2.8Å; Q24-S29 WeakPolarHBondContact CB-OG 3.47Å; C25-S29 WeakPolarHBondContact O-CB 3.39Å; C25-S29 PolarHBondContact O-N 3.29Å; C25-S29 PolarHBondContact O-OG 3.21Å; S29-E31 PolarHBondContact O-N 3.02Å; S29-R32 WeakPolarHBondContact O-CB 3.47Å; S29-R32 PolarHBondContact O-N 2.48Å; S29-I33 WeakPolarHBondContact O-CB 3.35Å; S29-I33 WeakPolarHBondContact O-CD1 3.45Å; S29-I33 WeakPolarHBondContact O-CG1 3.47Å; S29-I33 PolarHBondContact O-N 3.27Å
30A97.1Very high95.9Very high0 Ų037.5 Ų37.50%017%0.174CC..Hα-helixtrans-61.4-43.3178.500000112.7P26 M27 R32 I33 A34 E107 V111P26-A30 WeakPolarHBondContact O-CB 3.45Å; P26-A30 PolarHBondContact O-N 3.46Å; M27-A30 WeakPolarHBondContact O-CB 3.34Å; M27-A30 PolarHBondContact O-N 3.25Å; A30-R32 VanDerWaalsContact C-N 3.3Å; A30-R32 PolarHBondContact O-N 2.86Å; A30-I33 PolarHBondContact O-N 3.16Å; A30-A34 WeakPolarHBondContact O-CB 3.26Å; A30-A34 PolarHBondContact O-N 3.29Å; A30-E107 VanDerWaalsContact CB-C 3.46Å; A30-E107 HydrophobicContact CB-CB 3.56Å; A30-V111 HydrophobicContact CB-CG2 4.14Å
31E97.2Very high95.7Very high119 Ų11937.8 Ų37.856%0.55617%0.174SC*.Hα-helixtrans-58.8-43.3173.4-72.2-179.6-175.800112.1M27 S29 K35 V111M27-E31 PolarHBondContact O-N 3.48Å; M27-E31 VanDerWaalsContact O-N 3.09Å; S29-E31 PolarHBondContact O-N 3.02Å; E31-K35 PolarHBondContact O-N 2.75Å; E31-V111 HydrophobicContact CG-CG1 4.48Å; E31-V111 HydrophobicContact CG-CG2 4.14Å
32R97.6Very high95.5Very high77 Ų7739.3 Ų39.329%0.29118%0.182SC..Hα-helixtrans-64.4-51.9177-173.465.867.2111.64.3110.9L28 S29 A30 A34 K35 Y36 I147 V150L28-R32 PolarHBondContact O-N 3.01Å; L28-R32 VanDerWaalsContact O-N 3.13Å; S29-R32 WeakPolarHBondContact O-CB 3.47Å; S29-R32 PolarHBondContact O-N 2.48Å; A30-R32 VanDerWaalsContact C-N 3.3Å; A30-R32 PolarHBondContact O-N 2.86Å; R32-A34 PolarHBondContact O-N 2.89Å; R32-K35 VanDerWaalsContact O-CB 3.25Å; R32-K35 WeakPolarHBondContact O-CB 3.08Å; R32-K35 PolarHBondContact O-N 3.42Å; R32-Y36 HydrophobicContact CG-CE2 4.09Å; R32-Y36 WeakPolarHBondContact O-CD2 3.36Å; R32-I147 HydrophobicContact CG-CG2 3.8Å; R32-V150 HydrophobicContact CB-CG2 3.82Å; R32-V150 HydrophobicContact CG-CG2 4.11Å
33I98Very high95.3Very high0 Ų048 Ų480%021%0.213CC..Hα-helixtrans-59.2-46.5-179.8-70.1162.4000110.6Y19 S29 A30 K35 Y36 L37 V55 V57 I104 T108 L125Y19-I33 HydrophobicContact CD1-CD1 3.83Å; Y19-I33 HydrophobicContact CD1-CG1 4.06Å; Y19-I33 HydrophobicContact CE1-CD1 4.11Å; Y19-I33 HydrophobicContact CE1-CG1 4.47Å; Y19-I33 HydrophobicContact CG-CG1 4.32Å; S29-I33 WeakPolarHBondContact O-CB 3.35Å; S29-I33 WeakPolarHBondContact O-CD1 3.45Å; S29-I33 WeakPolarHBondContact O-CG1 3.47Å; S29-I33 PolarHBondContact O-N 3.27Å; A30-I33 PolarHBondContact O-N 3.16Å; I33-K35 PolarHBondContact O-N 3.13Å; I33-Y36 PolarHBondContact O-N 3.43Å; I33-L37 HydrophobicContact CG2-CD1 3.69Å; I33-L37 HydrophobicContact CG2-CG 3.98Å; I33-L37 WeakPolarHBondContact O-CG 3.39Å; I33-L37 PolarHBondContact O-N 3.17Å; I33-V55 HydrophobicContact CG1-CG1 4.33Å; I33-V55 HydrophobicContact CG2-CB 4.4Å; I33-V55 HydrophobicContact CG2-CG1 4.05Å; I33-V57 HydrophobicContact CD1-CG2 3.65Å; I33-V57 HydrophobicContact CG1-CG2 4.3Å; I33-I104 HydrophobicContact CD1-CG2 4.02Å; I33-T108 HydrophobicContact CG2-CG2 3.96Å; I33-L125 HydrophobicContact CG2-CD1 3.66Å
34A97.1Very high95.1Very high6 Ų650.7 Ų50.75%0.0522%0.22CC..Hα-helixtrans-58.7-33.617900000112.6A30 R32 Y36 T38 V111 L112A30-A34 WeakPolarHBondContact O-CB 3.26Å; A30-A34 PolarHBondContact O-N 3.29Å; R32-A34 PolarHBondContact O-N 2.89Å; A34-Y36 VanDerWaalsContact C-N 3.34Å; A34-Y36 PolarHBondContact O-N 3.41Å; A34-T38 WeakPolarHBondContact O-CB 3.44Å; A34-T38 PolarHBondContact O-N 2.94Å; A34-T38 PolarHBondContact O-OG1 3.17Å; A34-V111 HydrophobicContact CB-CB 4.13Å; A34-V111 HydrophobicContact CB-CG1 3.62Å; A34-L112 HydrophobicContact CB-CD2 3.82Å; A34-L112 HydrophobicContact CB-CG 4.38Å
35K96.3Very high95.1Very high97 Ų9754.3 Ų54.342%0.42224%0.235SC..Hα-helixtrans-60.3-41.9173.6-169.1-174.7178.2178.90111.8E31 R32 I33 G39 K40 H41E31-K35 PolarHBondContact O-N 2.75Å; R32-K35 VanDerWaalsContact O-CB 3.25Å; R32-K35 WeakPolarHBondContact O-CB 3.08Å; R32-K35 PolarHBondContact O-N 3.42Å; I33-K35 PolarHBondContact O-N 3.13Å; K35-G39 CarbonylContact O-C 3.57Å; K35-G39 PolarHBondContact O-N 3.34Å; K35-K40 VanDerWaalsContact CE-O 3.31Å; K35-K40 WeakPolarHBondContact CE-O 3.28Å; K35-K40 HydrophobicContact CG-CB 3.73Å; K35-K40 PolarHBondContact O-N 2.83Å; K35-H41 HydrophobicContact CD-CB 4.49Å; K35-H41 HydrophobicContact CG-CB 4.39Å
36Y97Very high94.9Very high34 Ų3457 Ų5713%0.13325%0.249CC..Hα-helixtrans-77.9-40.4178.5-67.3-86.3000112.3L17 R32 I33 A34 T38 G39 H41 N53 I147L17-Y36 HydrophobicContact CD1-CD1 3.37Å; L17-Y36 HydrophobicContact CD1-CE1 3.99Å; L17-Y36 HydrophobicContact CD1-CG 4.09Å; R32-Y36 HydrophobicContact CG-CE2 4.09Å; R32-Y36 WeakPolarHBondContact O-CD2 3.36Å; I33-Y36 PolarHBondContact O-N 3.43Å; A34-Y36 VanDerWaalsContact C-N 3.34Å; A34-Y36 PolarHBondContact O-N 3.41Å; Y36-T38 PolarHBondContact O-N 2.74Å; Y36-G39 PolarHBondContact O-N 3.23Å; Y36-G39 VanDerWaalsContact O-N 3.1Å; Y36-H41 HydrophobicContact CD1-CB 3.83Å; Y36-H41 AromaticContact CD1-CD2 3.6Å; Y36-H41 AromaticContact CD1-CE1 3.99Å; Y36-H41 AromaticContact CD1-CG 3.38Å; Y36-H41 AromaticContact CD1-ND1 3.64Å; Y36-H41 AromaticContact CD1-NE2 3.96Å; Y36-H41 HydrophobicContact CE1-CB 3.72Å; Y36-H41 AromaticContact CE1-CD2 3.63Å; Y36-H41 AromaticContact CE1-CG 3.6Å; Y36-N53 PolarHBondContact O-N 2.87Å; Y36-N53 VanDerWaalsContact O-N 3.13Å; Y36-I147 HydrophobicContact CD1-CD1 4.21Å; Y36-I147 HydrophobicContact CD1-CG1 4.18Å; Y36-I147 HydrophobicContact CD2-CD1 3.59Å; Y36-I147 HydrophobicContact CD2-CG1 3.93Å; Y36-I147 HydrophobicContact CD2-CG2 3.94Å; Y36-I147 HydrophobicContact CE1-CG1 4.12Å; Y36-I147 HydrophobicContact CE2-CB 4.27Å; Y36-I147 HydrophobicContact CE2-CD1 4.09Å; Y36-I147 HydrophobicContact CE2-CG1 3.93Å; Y36-I147 HydrophobicContact CE2-CG2 3.4Å; Y36-I147 VanDerWaalsContact CE2-CG2 3.4Å; Y36-I147 HydrophobicContact CG-CD1 3.67Å; Y36-I147 HydrophobicContact CG-CG1 4.08Å
37L96.6Very high94.7Very high0 Ų061 Ų610%028%0.275CS..Hα-helixtrans-62.3-30.2175.4-70.6178000113.3I33 G52 V55 T108 L112 R124 L125I33-L37 HydrophobicContact CG2-CD1 3.69Å; I33-L37 HydrophobicContact CG2-CG 3.98Å; I33-L37 WeakPolarHBondContact O-CG 3.39Å; I33-L37 PolarHBondContact O-N 3.17Å; L37-G52 WeakPolarHBondContact O-CA 3.35Å; L37-V55 HydrophobicContact CD2-CB 3.93Å; L37-V55 HydrophobicContact CD2-CG2 3.74Å; L37-V55 HydrophobicContact CG-CB 4.41Å; L37-V55 HydrophobicContact CG-CG2 4.01Å; L37-T108 HydrophobicContact CD1-CG2 3.59Å; L37-L112 HydrophobicContact CD1-CD1 4.38Å; L37-R124 HydrophobicContact CD2-CB 4.18Å; L37-R124 PolarHBondContact O-NH2 2.85Å; L37-L125 HydrophobicContact CD1-CB 4.01Å; L37-L125 HydrophobicContact CD1-CD1 4.31Å; L37-L125 HydrophobicContact CD1-CD2 4.3Å; L37-L125 HydrophobicContact CD1-CG 4.43Å; L37-L125 HydrophobicContact CD2-CB 4.17Å
38T94.8Very high94.4Very high20 Ų2063.4 Ų63.412%0.12330%0.297CS..Hα-helixtrans-89-17.3176.2-480000112.4A34 Y36 K40 Y45A34-T38 WeakPolarHBondContact O-CB 3.44Å; A34-T38 PolarHBondContact O-N 2.94Å; A34-T38 PolarHBondContact O-OG1 3.17Å; Y36-T38 PolarHBondContact O-N 2.74Å; T38-K40 HydrophobicContact CG2-CG 4.16Å; T38-Y45 HydrophobicContact CG2-CE2 3.92Å; T38-Y45 WeakPolarHBondContact O-CE2 3.38Å
39G94Very high94.1Very high0 Ų062.1 Ų62.10%030%0.297CS..THydrogen-bonded Turntrans83.512.8-173.300000114.2K35 Y36 H41 I42 Y45 F51K35-G39 CarbonylContact O-C 3.57Å; K35-G39 PolarHBondContact O-N 3.34Å; Y36-G39 PolarHBondContact O-N 3.23Å; Y36-G39 VanDerWaalsContact O-N 3.1Å; G39-H41 PolarHBondContact O-N 2.96Å; G39-I42 WeakPolarHBondContact O-CG1 3.34Å; G39-I42 PolarHBondContact O-N 3.22Å; G39-Y45 WeakPolarHBondContact O-CD2 3.31Å; G39-F51 WeakPolarHBondContact CA-O 3.09Å
40K94.6Very high93.7Very high120 Ų12065.2 Ų65.252%0.52231%0.313SS..THydrogen-bonded Turntrans-69.1-0.1177.9-72.1-179.2178.7-179.60114.5K35 T38 Y45K35-K40 VanDerWaalsContact CE-O 3.31Å; K35-K40 WeakPolarHBondContact CE-O 3.28Å; K35-K40 HydrophobicContact CG-CB 3.73Å; K35-K40 PolarHBondContact O-N 2.83Å; T38-K40 HydrophobicContact CG2-CG 4.16Å; K40-Y45 HydrophobicContact CG-CD1 4.34Å; K40-Y45 HydrophobicContact CG-CD2 4.18Å; K40-Y45 HydrophobicContact CG-CE1 4.05Å; K40-Y45 HydrophobicContact CG-CE2 3.88Å; K40-Y45 HydrophobicContact CG-CG 4.4Å
41H93.3Very high93.5Very high53 Ų5366.9 Ų66.925%0.24532%0.321CS..THydrogen-bonded Turntrans-90-22.8178.372.2-70.5000112.8K35 Y36 G39 N53K35-H41 HydrophobicContact CD-CB 4.49Å; K35-H41 HydrophobicContact CG-CB 4.39Å; Y36-H41 HydrophobicContact CD1-CB 3.83Å; Y36-H41 AromaticContact CD1-CD2 3.6Å; Y36-H41 AromaticContact CD1-CE1 3.99Å; Y36-H41 AromaticContact CD1-CG 3.38Å; Y36-H41 AromaticContact CD1-ND1 3.64Å; Y36-H41 AromaticContact CD1-NE2 3.96Å; Y36-H41 HydrophobicContact CE1-CB 3.72Å; Y36-H41 AromaticContact CE1-CD2 3.63Å; Y36-H41 AromaticContact CE1-CG 3.6Å; G39-H41 PolarHBondContact O-N 2.96Å; H41-N53 PolarHBondContact CE1-ND2 3.1Å; H41-N53 PolarHBondContact NE2-ND2 3.04Å
42I92.4Very high93.3Very high32 Ų3261.2 Ų61.216%0.16429%0.294CS..SBendtrans-79.5151.8173.952.2152.5000110.7G39 Y44 F51G39-I42 WeakPolarHBondContact O-CG1 3.34Å; G39-I42 PolarHBondContact O-N 3.22Å; I42-Y44 HydrophobicContact CB-CE1 4.16Å; I42-Y44 HydrophobicContact CB-CE2 4.44Å; I42-Y44 HydrophobicContact CD1-CD2 3.55Å; I42-Y44 HydrophobicContact CD1-CE1 4.48Å; I42-Y44 HydrophobicContact CD1-CE2 3.29Å; I42-Y44 HydrophobicContact CD1-CG 4.23Å; I42-Y44 HydrophobicContact CG1-CE2 4.43Å; I42-Y44 HydrophobicContact CG2-CE1 4.49Å; I42-F51 HydrophobicContact CD1-CB 3.53Å; I42-F51 HydrophobicContact CD1-CD2 3.84Å; I42-F51 HydrophobicContact CD1-CG 3.77Å; I42-F51 HydrophobicContact CG1-CB 4.48Å
43R91.6Very high93.2Very high254 Ų25458 Ų5896%0.95828%0.282SS*.THydrogen-bonded Turntrans-75-27.7-177.1-65.3-177.7-179.6-177.6-0113.7Y45R43-Y45 VanDerWaalsContact C-N 3.32Å
44Y90.5Very high93.2Very high112 Ų11259.7 Ų59.744%0.43929%0.291SS..THydrogen-bonded Turntrans-98.732.4-179.852.8-89.7000111.7A11 F12 I42 D46A11-Y44 PolarHBondContact O-OH 2.74Å; F12-Y44 HydrophobicContact CD1-CE2 4.21Å; F12-Y44 HydrophobicContact CE1-CD2 4.09Å; F12-Y44 HydrophobicContact CE1-CE2 4.07Å; I42-Y44 HydrophobicContact CB-CE1 4.16Å; I42-Y44 HydrophobicContact CB-CE2 4.44Å; I42-Y44 HydrophobicContact CD1-CD2 3.55Å; I42-Y44 HydrophobicContact CD1-CE1 4.48Å; I42-Y44 HydrophobicContact CD1-CE2 3.29Å; I42-Y44 HydrophobicContact CD1-CG 4.23Å; I42-Y44 HydrophobicContact CG1-CE2 4.43Å; I42-Y44 HydrophobicContact CG2-CE1 4.49Å; Y44-D46 PolarHBondContact O-N 2.87Å
45Y93Very high93.2Very high76 Ų7659.4 Ų59.430%0.29829%0.288SS..  trans-63127175.3170.8-99.4000110.4T38 G39 K40 R43 P47T38-Y45 HydrophobicContact CG2-CE2 3.92Å; T38-Y45 WeakPolarHBondContact O-CE2 3.38Å; G39-Y45 WeakPolarHBondContact O-CD2 3.31Å; K40-Y45 HydrophobicContact CG-CD1 4.34Å; K40-Y45 HydrophobicContact CG-CD2 4.18Å; K40-Y45 HydrophobicContact CG-CE1 4.05Å; K40-Y45 HydrophobicContact CG-CE2 3.88Å; K40-Y45 HydrophobicContact CG-CG 4.4Å; R43-Y45 VanDerWaalsContact C-N 3.32Å; Y45-P47 HydrophobicContact CE1-CB 4.29Å
46D91.4Very high93.3Very high66 Ų6654.8 Ų54.835%0.35327%0.268SS..  trans-124.9127.3172.3175.369.1000108.9Y44 S48 A49 F51Y44-D46 PolarHBondContact O-N 2.87Å; D46-S48 PolarHBondContact O-N 2.98Å; D46-S48 WeakPolarHBondContact OD2-CA 3.46Å; D46-S48 WeakPolarHBondContact OD2-CB 3.29Å; D46-S48 PolarHBondContact OD2-N 2.92Å; D46-S48 PolarHBondContact OD2-OG 3.13Å; D46-A49 PolarHBondContact O-N 3.35Å; D46-A49 VanDerWaalsContact O-O 3.05Å; D46-A49 PolarHBondContact OD2-N 2.76Å; D46-F51 HydrophobicContact CB-CE2 3.93Å
47P90.2Very high93.3Very high84 Ų8453.2 Ų53.255%0.54526%0.262SS..THydrogen-bonded Turntrans-69.4-11.6-176.627.9-36.3000114.5Y45Y45-P47 HydrophobicContact CE1-CB 4.29Å
48S88.6Confident93.4Very high114 Ų11453.6 Ų53.680%0.79726%0.264SS*.THydrogen-bonded Turntrans-83.1-21.9175.684.50000112.5D46D46-S48 PolarHBondContact O-N 2.98Å; D46-S48 WeakPolarHBondContact OD2-CA 3.46Å; D46-S48 WeakPolarHBondContact OD2-CB 3.29Å; D46-S48 PolarHBondContact OD2-N 2.92Å; D46-S48 PolarHBondContact OD2-OG 3.13Å
49A87.7Confident93.5Very high40 Ų4053.3 Ų53.333%0.33126%0.262SS..SBendtrans-108.7154.8-179.900000112.6D46 F51D46-A49 PolarHBondContact O-N 3.35Å; D46-A49 VanDerWaalsContact O-O 3.05Å; D46-A49 PolarHBondContact OD2-N 2.76Å; A49-F51 HydrophobicContact CB-CD2 4.32Å; A49-F51 HydrophobicContact CB-CE1 3.9Å; A49-F51 HydrophobicContact CB-CE2 3.62Å; A49-F51 HydrophobicContact CB-CZ 3.37Å
50D89.2Confident93.6Very high66 Ų6653.3 Ų53.335%0.35326%0.262SS..  trans-98.8101.5176.8174.640.1000111.4R14 G52 R124R14-D50 IonicContact CZ-OD2 3.73Å; R14-D50 IonicContact NE-OD2 3.76Å; R14-D50 IonicContact NH2-OD2 2.83Å; R14-D50 PolarHBondContact NH2-OD2 2.96Å; D50-G52 PolarHBondContact OD1-N 2.79Å; D50-G52 VanDerWaalsContact OD1-N 3.17Å; D50-R124 VanDerWaalsContact CG-NH1 3.28Å; D50-R124 IonicContact OD1-CZ 3.32Å; D50-R124 VanDerWaalsContact OD1-CZ 3.32Å; D50-R124 IonicContact OD1-NH1 2.94Å; D50-R124 PolarHBondContact OD1-NH1 2.96Å; D50-R124 IonicContact OD1-NH2 2.75Å; D50-R124 PolarHBondContact OD1-NH2 3.14Å; D50-R124 IonicContact OD2-CZ 3.46Å; D50-R124 IonicContact OD2-NH1 2.83Å; D50-R124 PolarHBondContact OD2-NH1 3.42Å; D50-R124 IonicContact OD2-NH2 3.41Å; D50-R124 PolarHBondContact OD2-NH2 3.14Å
51F91.8Very high93.6Very high35 Ų3553.6 Ų53.615%0.15426%0.259CS..  trans-107.222.7174.5-52.8-56.1000112.8F12 G39 I42 D46 A49F12-F51 AromaticContact CD1-CD1 3.69Å; F12-F51 HydrophobicContact CD1-CD1 3.69Å; F12-F51 AromaticContact CD1-CE1 3.21Å; F12-F51 HydrophobicContact CD1-CE1 3.21Å; F12-F51 HydrophobicContact CD1-CZ 4.07Å; F12-F51 HydrophobicContact CE1-CD1 4.12Å; F12-F51 AromaticContact CE1-CE1 3.3Å; F12-F51 HydrophobicContact CE1-CE1 3.3Å; F12-F51 AromaticContact CE1-CZ 3.66Å; F12-F51 HydrophobicContact CE1-CZ 3.66Å; F12-F51 HydrophobicContact CG-CE1 4.33Å; F12-F51 HydrophobicContact CZ-CE1 4.46Å; G39-F51 WeakPolarHBondContact CA-O 3.09Å; I42-F51 HydrophobicContact CD1-CB 3.53Å; I42-F51 HydrophobicContact CD1-CD2 3.84Å; I42-F51 HydrophobicContact CD1-CG 3.77Å; I42-F51 HydrophobicContact CG1-CB 4.48Å; D46-F51 HydrophobicContact CB-CE2 3.93Å; A49-F51 HydrophobicContact CB-CD2 4.32Å; A49-F51 HydrophobicContact CB-CE1 3.9Å; A49-F51 HydrophobicContact CB-CE2 3.62Å; A49-F51 HydrophobicContact CB-CZ 3.37Å
52G93.3Very high93.7Very high0 Ų055 Ų550%027%0.266CS..PPolyproline II helixtrans-67.6136.7-179.800000113.3R14 L37 D50 R124R14-G52 WeakPolarHBondContact CD-O 3.16Å; R14-G52 WeakPolarHBondContact CG-O 3.48Å; L37-G52 WeakPolarHBondContact O-CA 3.35Å; D50-G52 PolarHBondContact OD1-N 2.79Å; D50-G52 VanDerWaalsContact OD1-N 3.17Å; G52-R124 VanDerWaalsContact C-NH1 3.27Å; G52-R124 VanDerWaalsContact CA-NH1 3.26Å; G52-R124 PolarHBondContact O-NH1 2.53Å
53N95.7Very high93.8Very high8 Ų854 Ų544%0.04326%0.261CS..PPolyproline II helixtrans-89.8164.1175.1-74.9-20.3000112E15 L17 Y36 H41E15-N53 PolarHBondContact N-OD1 3.12Å; E15-N53 WeakPolarHBondContact O-CB 3.38Å; L17-N53 HydrophobicContact CD1-CB 4.12Å; L17-N53 HydrophobicContact CG-CB 4.45Å; Y36-N53 PolarHBondContact O-N 2.87Å; Y36-N53 VanDerWaalsContact O-N 3.13Å; H41-N53 PolarHBondContact CE1-ND2 3.1Å; H41-N53 PolarHBondContact NE2-ND2 3.04Å
54H97.5Very high93.8Very high37 Ų3742.7 Ų42.717%0.17122%0.221CC..EExtended strand (participates in β ladder)trans-75.8132.8164.4-72.1-87.7000109.1E15 W16 L17 R124 H126E15-H54 PolarHBondContact O-N 3.14Å; W16-H54 HydrophobicContact CB-CB 4.4Å; W16-H54 HydrophobicContact CD2-CB 3.47Å; W16-H54 VanDerWaalsContact CD2-CB 3.47Å; W16-H54 AromaticContact CD2-CG 3.82Å; W16-H54 AromaticContact CE2-CD2 3.64Å; W16-H54 AromaticContact CE2-CG 3.6Å; W16-H54 HydrophobicContact CE3-CB 3.63Å; W16-H54 HydrophobicContact CG-CB 3.83Å; W16-H54 HydrophobicContact CH2-CB 4.44Å; W16-H54 AromaticContact CH2-ND1 3.86Å; W16-H54 HydrophobicContact CZ2-CB 4.3Å; W16-H54 AromaticContact CZ2-CD2 3.89Å; W16-H54 AromaticContact CZ2-CE1 3.92Å; W16-H54 AromaticContact CZ2-CG 3.75Å; W16-H54 AromaticContact CZ2-ND1 3.79Å; W16-H54 HydrophobicContact CZ3-CB 4.13Å; W16-H54 AromaticContact NE1-CD2 3.66Å; L17-H54 PolarHBondContact N-O 2.99Å; H54-R124 WeakPolarHBondContact CA-O 3.2Å; H54-H126 AromaticContact ND1-NE2 3.38Å; H54-H126 PolarHBondContact ND1-NE2 2.88Å
55V98.1Very high93.6Very high0 Ų037.7 Ų37.70%020%0.203CC..EExtended strand (participates in β ladder)trans-121.1118.6177.2-177.90000108.4L17 I33 L37 V57 R124 L125 H126 I147L17-V55 CarbonylContact O-C 3.42Å; L17-V55 WeakPolarHBondContact O-CA 3.39Å; I33-V55 HydrophobicContact CG1-CG1 4.33Å; I33-V55 HydrophobicContact CG2-CB 4.4Å; I33-V55 HydrophobicContact CG2-CG1 4.05Å; L37-V55 HydrophobicContact CD2-CB 3.93Å; L37-V55 HydrophobicContact CD2-CG2 3.74Å; L37-V55 HydrophobicContact CG-CB 4.41Å; L37-V55 HydrophobicContact CG-CG2 4.01Å; V55-V57 HydrophobicContact CG1-CG2 4.15Å; V55-R124 PolarHBondContact N-O 2.92Å; V55-L125 HydrophobicContact CB-CD1 4.37Å; V55-L125 HydrophobicContact CG1-CD1 4.46Å; V55-H126 PolarHBondContact O-N 3.09Å; V55-I147 HydrophobicContact CG1-CD1 3.74Å; V55-I147 HydrophobicContact CG2-CD1 4.07Å
56V97.7Very high92.7Very high0 Ų043.7 Ų43.70%023%0.231CC..EExtended strand (participates in β ladder)trans-100116.3175.1-178.70000107.8W16 L17 I18 Y19 I58 H126 Y128 I135 I139W16-V56 HydrophobicContact CE3-CG2 3.91Å; W16-V56 HydrophobicContact CZ3-CG2 4.27Å; L17-V56 PolarHBondContact O-N 2.77Å; I18-V56 CarbonylContact C-O 3.49Å; I18-V56 VanDerWaalsContact CA-O 3.26Å; I18-V56 WeakPolarHBondContact CA-O 3.49Å; Y19-V56 PolarHBondContact N-O 2.92Å; V56-I58 HydrophobicContact CG1-CG2 4.49Å; V56-H126 CarbonylContact C-O 3.53Å; V56-H126 WeakPolarHBondContact CA-O 3.44Å; V56-H126 HydrophobicContact CG2-CB 4.28Å; V56-Y128 HydrophobicContact CG1-CD2 3.88Å; V56-Y128 HydrophobicContact CG1-CE2 3.84Å; V56-I135 HydrophobicContact CG1-CD1 4.04Å; V56-I139 HydrophobicContact CG1-CG2 4.5Å; V56-I139 HydrophobicContact CG2-CG2 3.64Å
57V98Very high91.8Very high0 Ų044.2 Ų44.20%023%0.234CC..EExtended strand (participates in β ladder)trans-102127.5177.4-178.70000108.6Y19 A21 I33 V55 I104 L125 H126 I127 Y128Y19-V57 HydrophobicContact CD1-CG1 4.15Å; Y19-V57 HydrophobicContact CD1-CG2 4.36Å; Y19-V57 WeakPolarHBondContact O-CA 3.35Å; A21-V57 HydrophobicContact CB-CG1 3.79Å; I33-V57 HydrophobicContact CD1-CG2 3.65Å; I33-V57 HydrophobicContact CG1-CG2 4.3Å; V55-V57 HydrophobicContact CG1-CG2 4.15Å; V57-I104 HydrophobicContact CG1-CD1 3.74Å; V57-L125 HydrophobicContact CG2-CD1 3.83Å; V57-H126 PolarHBondContact N-O 2.86Å; V57-I127 HydrophobicContact CB-CG1 4.33Å; V57-I127 HydrophobicContact CB-CG2 4.24Å; V57-I127 HydrophobicContact CG1-CG2 4.37Å; V57-Y128 PolarHBondContact O-N 3.09Å
58I97.2Very high90.8Very high9 Ų944.8 Ų44.85%0.04623%0.232CC..EExtended strand (participates in β ladder)trans-112.3166.5174.862.2168.2000111I18 Y19 D20 A21 V56 S60 I132 I135I18-I58 HydrophobicContact CD1-CD1 4.05Å; I18-I58 HydrophobicContact CD1-CG1 4.37Å; I18-I58 HydrophobicContact CD1-CG2 3.86Å; I18-I58 HydrophobicContact CG1-CG1 4.45Å; I18-I58 HydrophobicContact CG1-CG2 4.24Å; Y19-I58 PolarHBondContact O-N 3.17Å; D20-I58 HydrophobicContact CB-CD1 4.28Å; D20-I58 HydrophobicContact CB-CG1 4.16Å; A21-I58 VanDerWaalsContact CB-O 3.27Å; A21-I58 WeakPolarHBondContact CB-O 3.36Å; A21-I58 PolarHBondContact N-O 3.34Å; V56-I58 HydrophobicContact CG1-CG2 4.49Å; I58-S60 PolarHBondContact O-N 3.3Å; I58-I132 HydrophobicContact CD1-CG1 4.11Å; I58-I135 HydrophobicContact CG2-CD1 3.6Å; I58-I135 HydrophobicContact CG2-CG1 4.24Å
59N96.6Very high89.9Confident14 Ų1443 Ų438%0.07522%0.22CC..  trans57.633.6177.5-59.2-37.9000112.8D20 F22 R61 H62 Y128 P129 E130 N131D20-N59 PolarHBondContact OD1-ND2 3.12Å; F22-N59 HydrophobicContact CB-CB 4.1Å; N59-R61 PolarHBondContact O-N 3.15Å; N59-H62 PolarHBondContact O-N 2.75Å; N59-Y128 PolarHBondContact N-O 3.36Å; N59-P129 CarbonylContact C-O 3.6Å; N59-P129 WeakPolarHBondContact CA-O 3.07Å; N59-E130 PolarHBondContact N-O 3.2Å; N59-N131 WeakPolarHBondContact OD1-CA 3.43Å; N59-N131 PolarHBondContact OD1-N 2.92Å
60S96.7Very high89.8Confident0 Ų048.6 Ų48.60%023%0.232CC..G310 helixtrans-62.6-26.3-178.984.40000112.1I58 H62 I63 H96 P100 Y128 P129I58-S60 PolarHBondContact O-N 3.3Å; S60-H62 PolarHBondContact O-N 2.89Å; S60-I63 VanDerWaalsContact O-CG1 3.31Å; S60-I63 WeakPolarHBondContact O-CG1 3.43Å; S60-I63 WeakPolarHBondContact O-CG2 2.9Å; S60-H96 PolarHBondContact O-CE1 3.39Å; S60-H96 VanDerWaalsContact O-CE1 3.27Å; S60-P100 VanDerWaalsContact CB-O 3.32Å; S60-P100 WeakPolarHBondContact CB-O 3.35Å; S60-P100 VanDerWaalsContact OG-C 3.3Å; S60-P100 PolarHBondContact OG-O 3.38Å; S60-Y128 WeakPolarHBondContact CB-O 3.19Å; S60-Y128 PolarHBondContact N-O 3.43Å; S60-Y128 VanDerWaalsContact N-O 3.15Å; S60-Y128 PolarHBondContact OG-O 2.93Å; S60-P129 PolarHBondContact N-O 3.42Å; S60-P129 WeakPolarHBondContact OG-CA 3.43Å
61R96Very high89.7Confident126 Ų12649 Ų4948%0.47523%0.23SC..G310 helixtrans-61.8-30.4174-178.7173.3-71.9171.610.5113.1N59 H96 P100 P129 E130N59-R61 PolarHBondContact O-N 3.15Å; R61-H96 PolarHBondContact O-NE2 3.32Å; R61-H96 VanDerWaalsContact O-NE2 3.11Å; R61-P100 HydrophobicContact CB-CB 4.1Å; R61-P129 VanDerWaalsContact CB-O 3.29Å; R61-P129 WeakPolarHBondContact CB-O 3.29Å; R61-P129 PolarHBondContact N-O 3.42Å; R61-E130 IonicContact CZ-OE1 3.63Å; R61-E130 IonicContact NE-OE1 2.74Å; R61-E130 PolarHBondContact NE-OE1 2.81Å; R61-E130 IonicContact NH1-OE1 3.93Å; R61-E130 PolarHBondContact NH1-OE1 2.97Å; R61-E130 IonicContact NH2-OE1 2.6Å; R61-E130 PolarHBondContact NH2-OE1 3.42Å
62H94.8Very high89.7Confident81 Ų8148.2 Ų48.238%0.37523%0.226SC..G310 helixtrans-98.917.7-172-60.6-69.8000113.9F22 M23 N59 S60F22-H62 HydrophobicContact CD2-CB 3.52Å; F22-H62 AromaticContact CD2-CG 3.94Å; F22-H62 HydrophobicContact CE2-CB 3.98Å; M23-H62 WeakPolarHBondContact CA-O 3.29Å; M23-H62 PolarHBondContact N-O 2.89Å; N59-H62 PolarHBondContact O-N 2.75Å; S60-H62 PolarHBondContact O-N 2.89Å
63I94.5Very high89.6Confident12 Ų1254.1 Ų54.16%0.06225%0.251CS..  trans-63.1148.2173.258.2178000111.5A21 P26 S60 W72 V103 I104A21-I63 HydrophobicContact CB-CG2 3.74Å; P26-I63 HydrophobicContact CB-CD1 4.12Å; P26-I63 HydrophobicContact CG-CD1 4.34Å; S60-I63 VanDerWaalsContact O-CG1 3.31Å; S60-I63 WeakPolarHBondContact O-CG1 3.43Å; S60-I63 WeakPolarHBondContact O-CG2 2.9Å; I63-W72 HydrophobicContact CD1-CH2 3.69Å; I63-W72 HydrophobicContact CD1-CZ2 4.46Å; I63-W72 HydrophobicContact CG1-CH2 3.7Å; I63-W72 HydrophobicContact CG1-CZ2 4.12Å; I63-V103 HydrophobicContact CD1-CB 4.11Å; I63-V103 HydrophobicContact CD1-CG1 3.92Å; I63-I104 HydrophobicContact CD1-CG1 4.26Å; I63-I104 HydrophobicContact CG2-CD1 3.78Å; I63-I104 HydrophobicContact CG2-CG1 4.26Å
64A91.7Very high89.4Confident16 Ų1662.2 Ų62.213%0.13228%0.281CS..  trans-135.6115.6-177.900000110.3M23 Q24 C25 N68M23-A64 HydrophobicContact CB-CB 4.47Å; Q24-A64 CarbonylContact C-O 3.36Å; Q24-A64 PolarHBondContact O-N 2.86Å; C25-A64 WeakPolarHBondContact CA-O 3.33Å; C25-A64 PolarHBondContact N-O 3.38Å; A64-N68 WeakPolarHBondContact CA-OD1 3.4Å
65A85.6Confident89.1Confident7 Ų763 Ų636%0.05828%0.284CS..  trans-79155.7174.500000111.3D67 N68 Y71 W72A65-D67 PolarHBondContact O-N 3.42Å; A65-N68 PolarHBondContact N-OD1 3.23Å; A65-N68 PolarHBondContact O-N 3.14Å; A65-N68 PolarHBondContact O-OD1 3.33Å; A65-N68 VanDerWaalsContact O-OD1 3.05Å; A65-Y71 HydrophobicContact CB-CD1 4.07Å; A65-W72 HydrophobicContact CB-CZ2 4.33Å
66K74Confident88.9Confident202 Ų20267 Ų6788%0.87831%0.305SS*.SBendtrans-55.6-22.1-172.8-168.7179176.8-174.70115
67D72.8Confident88.7Confident77 Ų7768.2 Ų68.241%0.41231%0.31SS..SBendtrans-135.383.2171.2178.4-0.2000109A65 S69 R70 Y71A65-D67 PolarHBondContact O-N 3.42Å; D67-S69 PolarHBondContact O-N 3.38Å; D67-R70 PolarHBondContact O-N 2.66Å; D67-Y71 WeakPolarHBondContact O-CB 3.35Å; D67-Y71 PolarHBondContact O-N 3.23Å
68N68.8Low88.4Confident97 Ų9771.5 Ų71.552%0.51933%0.33SS..THydrogen-bonded Turntrans-57.6-15.4-166-99.3-13.3000115.9A64 A65 W72A64-N68 WeakPolarHBondContact CA-OD1 3.4Å; A65-N68 PolarHBondContact N-OD1 3.23Å; A65-N68 PolarHBondContact O-N 3.14Å; A65-N68 PolarHBondContact O-OD1 3.33Å; A65-N68 VanDerWaalsContact O-OD1 3.05Å; N68-W72 VanDerWaalsContact C-CD1 3.48Å; N68-W72 PolarHBondContact OD1-NE1 2.99Å; N68-W72 VanDerWaalsContact OD1-NE1 3.11Å
69S70.5Confident87.9Confident77 Ų7774.6 Ų74.654%0.53835%0.346SS..THydrogen-bonded Turntrans-104.6-48179.8-174.90000112.8D67D67-S69 PolarHBondContact O-N 3.38Å
70R84.5Confident87.4Confident156 Ų15680.4 Ų80.459%0.58937%0.372SS*.Hα-helixtrans-84.8-32.4-174.2-63.5179.6176.2-119.7-1.7112.5D67 R74D67-R70 PolarHBondContact O-N 2.66Å; R70-R74 WeakPolarHBondContact O-CB 3.36Å; R70-R74 VanDerWaalsContact O-CG 3.27Å; R70-R74 WeakPolarHBondContact O-CG 3.46Å; R70-R74 PolarHBondContact O-N 3.1Å
71Y87.8Confident86.7Confident75 Ų7582.9 Ų82.929%0.29439%0.388SS..Hα-helixtrans-68.8-46.8-175.1-157.7-98000111.4M27 A65 D67 K73 R74 F75 M92M27-Y71 WeakPolarHBondContact CE-OH 3.45Å; M27-Y71 HydrophobicContact SD-CE1 3.92Å; M27-Y71 PolarHBondContact SD-OH 3.38Å; A65-Y71 HydrophobicContact CB-CD1 4.07Å; D67-Y71 WeakPolarHBondContact O-CB 3.35Å; D67-Y71 PolarHBondContact O-N 3.23Å; Y71-K73 VanDerWaalsContact C-N 3.26Å; Y71-K73 PolarHBondContact O-N 2.9Å; Y71-R74 PolarHBondContact O-N 3.19Å; Y71-R74 VanDerWaalsContact O-N 3.14Å; Y71-F75 HydrophobicContact CD1-CB 4.29Å; Y71-F75 HydrophobicContact CE1-CB 4.13Å; Y71-F75 AromaticContact CE1-CD2 3.61Å; Y71-F75 HydrophobicContact CE1-CD2 3.61Å; Y71-F75 HydrophobicContact CE1-CE2 4.29Å; Y71-F75 HydrophobicContact CE1-CG 4.05Å; Y71-F75 HydrophobicContact CE2-CD2 4.47Å; Y71-F75 AromaticContact CZ-CD2 3.56Å; Y71-F75 WeakPolarHBondContact O-CB 3.17Å; Y71-F75 PolarHBondContact O-N 2.82Å; Y71-F75 VanDerWaalsContact OH-CD2 3.3Å; Y71-F75 WeakPolarHBondContact OH-CD2 3.31Å; Y71-F75 WeakPolarHBondContact OH-CE2 3.27Å; Y71-M92 HydrophobicContact CE1-CE 4.23Å
72W91.3Very high86.2Confident19 Ų1988.3 Ų88.37%0.07241%0.408CS..Hα-helixtrans-57.7-35.5-179.5-7490.6000114.2I63 A65 N68 M92 E93 H96 V103I63-W72 HydrophobicContact CD1-CH2 3.69Å; I63-W72 HydrophobicContact CD1-CZ2 4.46Å; I63-W72 HydrophobicContact CG1-CH2 3.7Å; I63-W72 HydrophobicContact CG1-CZ2 4.12Å; A65-W72 HydrophobicContact CB-CZ2 4.33Å; N68-W72 VanDerWaalsContact C-CD1 3.48Å; N68-W72 PolarHBondContact OD1-NE1 2.99Å; N68-W72 VanDerWaalsContact OD1-NE1 3.11Å; W72-M92 HydrophobicContact CD2-CG 4.35Å; W72-M92 HydrophobicContact CD2-SD 4Å; W72-M92 HydrophobicContact CE3-CB 4.06Å; W72-M92 HydrophobicContact CE3-CG 3.47Å; W72-M92 VanDerWaalsContact CE3-CG 3.47Å; W72-M92 HydrophobicContact CE3-SD 3.67Å; W72-M92 HydrophobicContact CH2-CG 4.45Å; W72-M92 HydrophobicContact CH2-SD 4.25Å; W72-M92 HydrophobicContact CZ3-CG 3.52Å; W72-M92 HydrophobicContact CZ3-SD 3.79Å; W72-M92 PolarHBondContact O-N 2.96Å; W72-E93 HydrophobicContact CB-CB 4.17Å; W72-E93 PolarHBondContact O-N 3.01Å; W72-H96 HydrophobicContact CE3-CB 4.42Å; W72-H96 HydrophobicContact CH2-CB 4.44Å; W72-H96 AromaticContact CH2-CG 3.99Å; W72-H96 HydrophobicContact CZ3-CB 3.65Å; W72-H96 AromaticContact CZ3-CD2 3.95Å; W72-H96 AromaticContact CZ3-CG 3.68Å; W72-V103 HydrophobicContact CZ3-CG2 4.48Å
73K91.8Very high85.9Confident123 Ų12391 Ų9154%0.53542%0.419SS..Hα-helixtrans-84.7-21.3-179.7-69.1178.2-179.1-178.70114.1Y71 T91 E93Y71-K73 VanDerWaalsContact C-N 3.26Å; Y71-K73 PolarHBondContact O-N 2.9Å; K73-T91 WeakPolarHBondContact O-CG2 3.14Å; K73-E93 WeakPolarHBondContact CE-OE2 3.46Å; K73-E93 WeakPolarHBondContact CG-OE2 3.31Å
74R90.8Very high85.1Confident179 Ų17996.5 Ų96.568%0.67546%0.455SS*.Hα-helixtrans-103.2-27.5-174.7-72.1179.4173-165.6-5.2113.2R70 Y71 L76R70-R74 WeakPolarHBondContact O-CB 3.36Å; R70-R74 VanDerWaalsContact O-CG 3.27Å; R70-R74 WeakPolarHBondContact O-CG 3.46Å; R70-R74 PolarHBondContact O-N 3.1Å; Y71-R74 PolarHBondContact O-N 3.19Å; Y71-R74 VanDerWaalsContact O-N 3.14Å; R74-L76 PolarHBondContact O-N 3.3Å
75F92.1Very high84.6Confident52 Ų52102 Ų10223%0.22849%0.487CS..  trans-73.2115.8178.6-163.2-85.4000109.1Y71 Y77 T91 M92Y71-F75 HydrophobicContact CD1-CB 4.29Å; Y71-F75 HydrophobicContact CE1-CB 4.13Å; Y71-F75 AromaticContact CE1-CD2 3.61Å; Y71-F75 HydrophobicContact CE1-CD2 3.61Å; Y71-F75 HydrophobicContact CE1-CE2 4.29Å; Y71-F75 HydrophobicContact CE1-CG 4.05Å; Y71-F75 HydrophobicContact CE2-CD2 4.47Å; Y71-F75 AromaticContact CZ-CD2 3.56Å; Y71-F75 WeakPolarHBondContact O-CB 3.17Å; Y71-F75 PolarHBondContact O-N 2.82Å; Y71-F75 VanDerWaalsContact OH-CD2 3.3Å; Y71-F75 WeakPolarHBondContact OH-CD2 3.31Å; Y71-F75 WeakPolarHBondContact OH-CE2 3.27Å; F75-Y77 HydrophobicContact CD1-CD2 4.27Å; F75-Y77 HydrophobicContact CD1-CE1 4.31Å; F75-Y77 AromaticContact CD1-CE2 3.83Å; F75-Y77 HydrophobicContact CD1-CE2 3.83Å; F75-Y77 AromaticContact CD1-CZ 3.83Å; F75-Y77 HydrophobicContact CE1-CD1 4.21Å; F75-Y77 HydrophobicContact CE1-CD2 4.5Å; F75-Y77 AromaticContact CE1-CE1 3.66Å; F75-Y77 HydrophobicContact CE1-CE1 3.66Å; F75-Y77 HydrophobicContact CE1-CE2 4.03Å; F75-Y77 AromaticContact CE1-CZ 3.57Å; F75-T91 CarbonylContact O-C 3.58Å; F75-T91 WeakPolarHBondContact O-CA 3.27Å; F75-M92 HydrophobicContact CB-CB 4.24Å; F75-M92 HydrophobicContact CB-CE 4.26Å; F75-M92 HydrophobicContact CD1-CB 4.42Å; F75-M92 HydrophobicContact CD1-CE 3.64Å; F75-M92 HydrophobicContact CE1-CE 4.07Å; F75-M92 HydrophobicContact CG-CE 3.9Å; F75-M92 PolarHBondContact O-N 2.78Å
76L93.4Very high84.5Confident86 Ų86106 Ų10645%0.4551%0.508SS..EExtended strand (participates in β ladder)trans-107130.5-176-66.7169.5000110.2R74 E89 E90 T91R74-L76 PolarHBondContact O-N 3.3Å; L76-E89 HydrophobicContact CD2-CB 4.48Å; L76-E90 WeakPolarHBondContact CA-O 3.29Å; L76-T91 HydrophobicContact CD2-CG2 3.68Å
77Y94.4Very high85.2Confident24 Ų24103.8 Ų103.89%0.09449%0.494CS..EExtended strand (participates in β ladder)trans-96.8126.5165.9-64.5-84000109.1F75 E89 E90 M92 I95 L106 E107F75-Y77 HydrophobicContact CD1-CD2 4.27Å; F75-Y77 HydrophobicContact CD1-CE1 4.31Å; F75-Y77 AromaticContact CD1-CE2 3.83Å; F75-Y77 HydrophobicContact CD1-CE2 3.83Å; F75-Y77 AromaticContact CD1-CZ 3.83Å; F75-Y77 HydrophobicContact CE1-CD1 4.21Å; F75-Y77 HydrophobicContact CE1-CD2 4.5Å; F75-Y77 AromaticContact CE1-CE1 3.66Å; F75-Y77 HydrophobicContact CE1-CE1 3.66Å; F75-Y77 HydrophobicContact CE1-CE2 4.03Å; F75-Y77 AromaticContact CE1-CZ 3.57Å; Y77-E89 WeakPolarHBondContact O-CA 3.47Å; Y77-E90 PolarHBondContact N-O 3.45Å; Y77-E90 PolarHBondContact O-N 3.15Å; Y77-M92 HydrophobicContact CD2-CB 4.45Å; Y77-M92 HydrophobicContact CE2-CB 3.73Å; Y77-M92 HydrophobicContact CE2-CE 4.28Å; Y77-M92 HydrophobicContact CE2-CG 3.89Å; Y77-M92 WeakPolarHBondContact OH-CE 3.38Å; Y77-I95 HydrophobicContact CD2-CD1 3.45Å; Y77-I95 VanDerWaalsContact CD2-CD1 3.45Å; Y77-I95 HydrophobicContact CD2-CG1 4.46Å; Y77-I95 HydrophobicContact CE2-CD1 4.24Å; Y77-I95 HydrophobicContact CG-CD1 3.76Å; Y77-L106 HydrophobicContact CD1-CB 4.16Å; Y77-L106 HydrophobicContact CD1-CD1 3.76Å; Y77-L106 HydrophobicContact CD1-CG 4.49Å; Y77-L106 HydrophobicContact CD2-CD1 4.4Å; Y77-L106 HydrophobicContact CE1-CB 3.75Å; Y77-L106 HydrophobicContact CE1-CD1 3.98Å; Y77-L106 HydrophobicContact CE1-CG 4.49Å; Y77-L106 HydrophobicContact CG-CD1 3.97Å; Y77-E107 VanDerWaalsContact CE1-OE1 3.26Å; Y77-E107 WeakPolarHBondContact CE1-OE1 3.21Å; Y77-E107 VanDerWaalsContact CZ-OE1 3.27Å; Y77-E107 PolarHBondContact OH-OE1 2.96Å
78T91.2Very high86Confident70 Ų70103.3 Ų103.343%0.42949%0.494SS..EExtended strand (participates in β ladder)trans-94.9121.2176.6-51.10000110.4R87 E89T78-R87 HydrophobicContact CG2-CB 3.95Å; T78-R87 HydrophobicContact CG2-CG 4.33Å; T78-E89 HydrophobicContact CG2-CG 4.46Å
79I86.7Confident87.1Confident74 Ų74102.7 Ų102.738%0.37949%0.488SS..EExtended strand (participates in β ladder)trans-107117.7175.8-57.2167.4000108.1R87 V88 E90I79-R87 WeakPolarHBondContact O-CA 3.22Å; I79-V88 HydrophobicContact CB-CB 4.47Å; I79-V88 PolarHBondContact N-O 3.02Å; I79-V88 PolarHBondContact O-N 3.48Å; I79-E90 HydrophobicContact CD1-CG 4.36Å; I79-E90 VanDerWaalsContact CD1-OE2 3.23Å; I79-E90 WeakPolarHBondContact CD1-OE2 3.32Å
80H85.7Confident88.2Confident135 Ų135100.7 Ų100.763%0.62547%0.47SS*.EExtended strand (participates in β ladder)trans-88.9124176.7-66.8-72.2000111R82H80-R82 PolarHBondContact O-N 3.33Å; H80-R82 VanDerWaalsContact O-N 3.16Å
81T83.2Confident88.7Confident53 Ų5394.3 Ų94.333%0.32545%0.448SS..  trans-87.534.3-179.563.90000113.4F83 N86 V88T81-F83 WeakPolarHBondContact O-CD2 3.42Å; T81-F83 PolarHBondContact O-N 3.01Å; T81-N86 PolarHBondContact N-O 2.84Å; T81-N86 VanDerWaalsContact N-O 3.17Å; T81-N86 WeakPolarHBondContact OG1-CB 3.29Å; T81-N86 PolarHBondContact OG1-O 3.48Å; T81-V88 HydrophobicContact CG2-CG2 4.14Å
82R84.9Confident89Confident240 Ų24090.7 Ų90.791%0.90643%0.434SS*.SBendtrans59.7-18.5-172.7-62-179.7-72.9-158.8-3.1116H80H80-R82 PolarHBondContact O-N 3.33Å; H80-R82 VanDerWaalsContact O-N 3.16Å
83F87.5Confident89.1Confident138 Ų13892.5 Ų92.561%0.60544%0.443SS*.SBendtrans-94.2131.6172.8-60.1-76000110T81 V85 N86T81-F83 WeakPolarHBondContact O-CD2 3.42Å; T81-F83 PolarHBondContact O-N 3.01Å; F83-V85 VanDerWaalsContact C-N 3.28Å; F83-V85 PolarHBondContact O-N 2.62Å; F83-N86 HydrophobicContact CB-CB 4.3Å; F83-N86 PolarHBondContact O-N 3.43Å; F83-N86 VanDerWaalsContact O-N 3.15Å
84P78.9Confident89.3Confident126 Ų12691.1 Ų91.182%0.81844%0.439SS*.THydrogen-bonded Turntrans-62-32-168.820.1-30.9000114.1
85V81.2Confident89.5Confident131 Ų13182.7 Ų82.779%0.79441%0.407SS*.THydrogen-bonded Turntrans-82.5-20.3-176.9-152.60000112.1F83 R87F83-V85 VanDerWaalsContact C-N 3.28Å; F83-V85 PolarHBondContact O-N 2.62Å; V85-R87 PolarHBondContact O-N 3.44Å
86N84.2Confident89.6Confident93 Ų9381.8 Ų81.850%0.49740%0.403SS..  trans-105.783.1-169.7-64.2-4.8000109.5T81 F83T81-N86 PolarHBondContact N-O 2.84Å; T81-N86 VanDerWaalsContact N-O 3.17Å; T81-N86 WeakPolarHBondContact OG1-CB 3.29Å; T81-N86 PolarHBondContact OG1-O 3.48Å; F83-N86 HydrophobicContact CB-CB 4.3Å; F83-N86 PolarHBondContact O-N 3.43Å; F83-N86 VanDerWaalsContact O-N 3.15Å
87R88.3Confident89.7Confident154 Ų15486.1 Ų86.158%0.58141%0.414SS*.EExtended strand (participates in β ladder)trans-103.4133.9166.173.2-174-164.6-1525.1109.2T78 I79 V85 E89T78-R87 HydrophobicContact CG2-CB 3.95Å; T78-R87 HydrophobicContact CG2-CG 4.33Å; I79-R87 WeakPolarHBondContact O-CA 3.22Å; V85-R87 PolarHBondContact O-N 3.44Å; R87-E89 IonicContact CZ-OE1 2.83Å; R87-E89 IonicContact NE-OE1 2.84Å; R87-E89 PolarHBondContact NE-OE1 3.17Å; R87-E89 IonicContact NH2-OE1 2.74Å; R87-E89 PolarHBondContact NH2-OE1 3.38Å
88V89Confident89.8Confident68 Ų6892.1 Ų92.141%0.41244%0.436SS..EExtended strand (participates in β ladder)trans-100.7123.4172.1-176.80000106.4I79 T81 E90I79-V88 HydrophobicContact CB-CB 4.47Å; I79-V88 PolarHBondContact N-O 3.02Å; I79-V88 PolarHBondContact O-N 3.48Å; T81-V88 HydrophobicContact CG2-CG2 4.14Å; V88-E90 HydrophobicContact CG1-CG 3.96Å
89E92.2Very high90Very high84 Ų8491.4 Ų91.439%0.39343%0.43SS..EExtended strand (participates in β ladder)trans-102.2121.6173.4-67.5174.4-165.400107.1L76 Y77 T78 R87L76-E89 HydrophobicContact CD2-CB 4.48Å; Y77-E89 WeakPolarHBondContact O-CA 3.47Å; T78-E89 HydrophobicContact CG2-CG 4.46Å; R87-E89 IonicContact CZ-OE1 2.83Å; R87-E89 IonicContact NE-OE1 2.84Å; R87-E89 PolarHBondContact NE-OE1 3.17Å; R87-E89 IonicContact NH2-OE1 2.74Å; R87-E89 PolarHBondContact NH2-OE1 3.38Å
90E94.2Very high90.5Very high35 Ų3588.8 Ų88.816%0.16442%0.418CS..EExtended strand (participates in β ladder)trans-119.4139.7176.3-62.8-172.2129.500109L76 Y77 I79 V88 I95 R98L76-E90 WeakPolarHBondContact CA-O 3.29Å; Y77-E90 PolarHBondContact N-O 3.45Å; Y77-E90 PolarHBondContact O-N 3.15Å; I79-E90 HydrophobicContact CD1-CG 4.36Å; I79-E90 VanDerWaalsContact CD1-OE2 3.23Å; I79-E90 WeakPolarHBondContact CD1-OE2 3.32Å; V88-E90 HydrophobicContact CG1-CG 3.96Å; E90-I95 HydrophobicContact CB-CD1 4.05Å; E90-I95 HydrophobicContact CB-CG1 3.82Å; E90-R98 VanDerWaalsContact CD-NH1 3.35Å; E90-R98 IonicContact OE1-CZ 2.62Å; E90-R98 IonicContact OE1-NH1 3.96Å; E90-R98 PolarHBondContact OE1-NH1 2.9Å; E90-R98 IonicContact OE1-NH2 3.17Å; E90-R98 IonicContact OE2-CZ 3.44Å; E90-R98 IonicContact OE2-NH1 2.95Å; E90-R98 PolarHBondContact OE2-NH1 3.42Å; E90-R98 IonicContact OE2-NH2 3.62Å; E90-R98 PolarHBondContact OE2-NH2 3.27Å
91T94.4Very high91Very high21 Ų2183.5 Ų83.513%0.12940%0.395CS..EExtended strand (participates in β ladder)trans-73.6154.8175.361.60000111.1K73 F75 L76 E93 E94 I95K73-T91 WeakPolarHBondContact O-CG2 3.14Å; F75-T91 CarbonylContact O-C 3.58Å; F75-T91 WeakPolarHBondContact O-CA 3.27Å; L76-T91 HydrophobicContact CD2-CG2 3.68Å; T91-E93 PolarHBondContact O-N 2.82Å; T91-E94 PolarHBondContact N-OE2 2.66Å; T91-E94 PolarHBondContact O-N 2.99Å; T91-E94 VanDerWaalsContact O-N 3.16Å; T91-E94 WeakPolarHBondContact OG1-CB 3.4Å; T91-E94 WeakPolarHBondContact OG1-CG 3.32Å; T91-E94 PolarHBondContact OG1-N 3.34Å; T91-E94 PolarHBondContact OG1-OE2 3.13Å; T91-I95 WeakPolarHBondContact O-CG1 3.35Å; T91-I95 PolarHBondContact O-N 3.47Å
92M93.9Very high91.6Very high0 Ų083.5 Ų83.50%039%0.391CS..Hα-helixtrans-56.6-37.6173.4-173.2-172.5-83.500111.8P26 Y71 W72 F75 Y77 H96 V103P26-M92 HydrophobicContact CG-CE 4.47Å; P26-M92 HydrophobicContact CG-SD 4.47Å; Y71-M92 HydrophobicContact CE1-CE 4.23Å; W72-M92 HydrophobicContact CD2-CG 4.35Å; W72-M92 HydrophobicContact CD2-SD 4Å; W72-M92 HydrophobicContact CE3-CB 4.06Å; W72-M92 HydrophobicContact CE3-CG 3.47Å; W72-M92 VanDerWaalsContact CE3-CG 3.47Å; W72-M92 HydrophobicContact CE3-SD 3.67Å; W72-M92 HydrophobicContact CH2-CG 4.45Å; W72-M92 HydrophobicContact CH2-SD 4.25Å; W72-M92 HydrophobicContact CZ3-CG 3.52Å; W72-M92 HydrophobicContact CZ3-SD 3.79Å; W72-M92 PolarHBondContact O-N 2.96Å; F75-M92 HydrophobicContact CB-CB 4.24Å; F75-M92 HydrophobicContact CB-CE 4.26Å; F75-M92 HydrophobicContact CD1-CB 4.42Å; F75-M92 HydrophobicContact CD1-CE 3.64Å; F75-M92 HydrophobicContact CE1-CE 4.07Å; F75-M92 HydrophobicContact CG-CE 3.9Å; F75-M92 PolarHBondContact O-N 2.78Å; Y77-M92 HydrophobicContact CD2-CB 4.45Å; Y77-M92 HydrophobicContact CE2-CB 3.73Å; Y77-M92 HydrophobicContact CE2-CE 4.28Å; Y77-M92 HydrophobicContact CE2-CG 3.89Å; Y77-M92 WeakPolarHBondContact OH-CE 3.38Å; M92-H96 VanDerWaalsContact O-CB 3.24Å; M92-H96 WeakPolarHBondContact O-CB 3.43Å; M92-H96 PolarHBondContact O-N 2.81Å; M92-V103 HydrophobicContact CE-CG1 4.29Å; M92-V103 HydrophobicContact CG-CG1 3.91Å; M92-V103 HydrophobicContact CG-CG2 3.98Å; M92-V103 HydrophobicContact SD-CG1 4.21Å
93E93.8Very high92.2Very high57 Ų5772.1 Ų72.127%0.26635%0.348SS..Hα-helixtrans-61.6-46175.4-167.4-178.4164.200112.5W72 K73 T91 H96 R97W72-E93 HydrophobicContact CB-CB 4.17Å; W72-E93 PolarHBondContact O-N 3.01Å; K73-E93 WeakPolarHBondContact CE-OE2 3.46Å; K73-E93 WeakPolarHBondContact CG-OE2 3.31Å; T91-E93 PolarHBondContact O-N 2.82Å; E93-H96 PolarHBondContact O-N 3.27Å; E93-R97 VanDerWaalsContact O-CB 3.27Å; E93-R97 WeakPolarHBondContact O-CB 3.17Å; E93-R97 PolarHBondContact O-N 3.16Å; E93-R97 IonicContact OE1-CZ 3.25Å; E93-R97 IonicContact OE1-NH2 3.82Å; E93-R97 PolarHBondContact OE1-NH2 3.46Å
94E94.9Very high92.6Very high94 Ų9465.5 Ų65.544%0.43932%0.319SS..Hα-helixtrans-64.8-43.9179.9-74160.1162.200111.8T91 R97 R98T91-E94 PolarHBondContact N-OE2 2.66Å; T91-E94 PolarHBondContact O-N 2.99Å; T91-E94 VanDerWaalsContact O-N 3.16Å; T91-E94 WeakPolarHBondContact OG1-CB 3.4Å; T91-E94 WeakPolarHBondContact OG1-CG 3.32Å; T91-E94 PolarHBondContact OG1-N 3.34Å; T91-E94 PolarHBondContact OG1-OE2 3.13Å; E94-R97 PolarHBondContact O-N 2.95Å; E94-R98 PolarHBondContact O-N 3.05Å
95I95.2Very high93.5Very high2 Ų264.8 Ų64.81%0.0130%0.3CS..Hα-helixtrans-62-47.4176.5-65.9-173000110.3Y77 E90 T91 R97 R98 D99 E102 V103 L106Y77-I95 HydrophobicContact CD2-CD1 3.45Å; Y77-I95 VanDerWaalsContact CD2-CD1 3.45Å; Y77-I95 HydrophobicContact CD2-CG1 4.46Å; Y77-I95 HydrophobicContact CE2-CD1 4.24Å; Y77-I95 HydrophobicContact CG-CD1 3.76Å; E90-I95 HydrophobicContact CB-CD1 4.05Å; E90-I95 HydrophobicContact CB-CG1 3.82Å; T91-I95 WeakPolarHBondContact O-CG1 3.35Å; T91-I95 PolarHBondContact O-N 3.47Å; I95-R97 VanDerWaalsContact C-N 3.32Å; I95-R97 PolarHBondContact O-N 2.89Å; I95-R98 PolarHBondContact O-N 2.84Å; I95-D99 CarbonylContact O-C 3.59Å; I95-D99 PolarHBondContact O-N 3.13Å; I95-D99 VanDerWaalsContact O-O 3.12Å; I95-E102 HydrophobicContact CG2-CB 3.66Å; I95-V103 HydrophobicContact CB-CG2 4.43Å; I95-V103 HydrophobicContact CG2-CG2 4.05Å; I95-L106 HydrophobicContact CD1-CD1 3.81Å; I95-L106 HydrophobicContact CG2-CD1 4.32Å
96H95Very high94.2Very high33 Ų3360.6 Ų60.615%0.15327%0.273CS..Hα-helixtrans-64.3-37.2-178.9-16659.3000113.1S60 R61 W72 M92 E93 R98 D99 V103S60-H96 PolarHBondContact O-CE1 3.39Å; S60-H96 VanDerWaalsContact O-CE1 3.27Å; R61-H96 PolarHBondContact O-NE2 3.32Å; R61-H96 VanDerWaalsContact O-NE2 3.11Å; W72-H96 HydrophobicContact CE3-CB 4.42Å; W72-H96 HydrophobicContact CH2-CB 4.44Å; W72-H96 AromaticContact CH2-CG 3.99Å; W72-H96 HydrophobicContact CZ3-CB 3.65Å; W72-H96 AromaticContact CZ3-CD2 3.95Å; W72-H96 AromaticContact CZ3-CG 3.68Å; M92-H96 VanDerWaalsContact O-CB 3.24Å; M92-H96 WeakPolarHBondContact O-CB 3.43Å; M92-H96 PolarHBondContact O-N 2.81Å; E93-H96 PolarHBondContact O-N 3.27Å; H96-R98 VanDerWaalsContact C-N 3.34Å; H96-D99 CarbonylContact O-C 3.58Å; H96-V103 HydrophobicContact CB-CG2 3.81Å
97R95.3Very high94.8Very high177 Ų17756.8 Ų56.867%0.66825%0.252SS*.Hα-helixtrans-66.2-37.7176.2-171.1-174.5-61.5156.41111.7E93 E94 I95E93-R97 VanDerWaalsContact O-CB 3.27Å; E93-R97 WeakPolarHBondContact O-CB 3.17Å; E93-R97 PolarHBondContact O-N 3.16Å; E93-R97 IonicContact OE1-CZ 3.25Å; E93-R97 IonicContact OE1-NH2 3.82Å; E93-R97 PolarHBondContact OE1-NH2 3.46Å; E94-R97 PolarHBondContact O-N 2.95Å; I95-R97 VanDerWaalsContact C-N 3.32Å; I95-R97 PolarHBondContact O-N 2.89Å
98R95.9Very high95.2Very high150 Ų15049.5 Ų49.557%0.56623%0.225SC*.Hα-helixtrans-73.2-50.6177178.4177.763.8-148-5.1111.6E90 E94 I95 H96E90-R98 VanDerWaalsContact CD-NH1 3.35Å; E90-R98 IonicContact OE1-CZ 2.62Å; E90-R98 IonicContact OE1-NH1 3.96Å; E90-R98 PolarHBondContact OE1-NH1 2.9Å; E90-R98 IonicContact OE1-NH2 3.17Å; E90-R98 IonicContact OE2-CZ 3.44Å; E90-R98 IonicContact OE2-NH1 2.95Å; E90-R98 PolarHBondContact OE2-NH1 3.42Å; E90-R98 IonicContact OE2-NH2 3.62Å; E90-R98 PolarHBondContact OE2-NH2 3.27Å; E94-R98 PolarHBondContact O-N 3.05Å; I95-R98 PolarHBondContact O-N 2.84Å; H96-R98 VanDerWaalsContact C-N 3.34Å
99D96.1Very high95.6Very high54 Ų5450.6 Ų50.629%0.28922%0.224SC..  trans-143.1109.4179.2-172-22.6000110.1I95 H96 T101 E102I95-D99 CarbonylContact O-C 3.59Å; I95-D99 PolarHBondContact O-N 3.13Å; I95-D99 VanDerWaalsContact O-O 3.12Å; H96-D99 CarbonylContact O-C 3.58Å; D99-T101 VanDerWaalsContact CG-OG1 3.3Å; D99-T101 PolarHBondContact O-N 3.28Å; D99-T101 VanDerWaalsContact O-N 3.09Å; D99-T101 WeakPolarHBondContact OD1-CB 3.25Å; D99-T101 PolarHBondContact OD1-N 2.83Å; D99-T101 PolarHBondContact OD1-OG1 3.09Å; D99-T101 PolarHBondContact OD2-OG1 3.32Å; D99-E102 HydrophobicContact CB-CB 4.24Å; D99-E102 HydrophobicContact CB-CG 3.81Å; D99-E102 PolarHBondContact O-N 2.7Å
100P96.1Very high95.8Very high20 Ų2050.4 Ų50.413%0.1324%0.236CC..THydrogen-bonded Turntrans-68.1-6.5-179.229.9-38.8000114.1S60 R61 P129S60-P100 VanDerWaalsContact CB-O 3.32Å; S60-P100 WeakPolarHBondContact CB-O 3.35Å; S60-P100 VanDerWaalsContact OG-C 3.3Å; S60-P100 PolarHBondContact OG-O 3.38Å; R61-P100 HydrophobicContact CB-CB 4.1Å; P100-P129 HydrophobicContact CB-CB 4.48Å; P100-P129 HydrophobicContact CG-CB 3.67Å
101T97.1Very high95.9Very high23 Ų2351.9 Ų51.914%0.14125%0.248CC..THydrogen-bonded Turntrans-92.4-25.9178.171.60000112.7D99 V103 I104 R105 I127D99-T101 VanDerWaalsContact CG-OG1 3.3Å; D99-T101 PolarHBondContact O-N 3.28Å; D99-T101 VanDerWaalsContact O-N 3.09Å; D99-T101 WeakPolarHBondContact OD1-CB 3.25Å; D99-T101 PolarHBondContact OD1-N 2.83Å; D99-T101 PolarHBondContact OD1-OG1 3.09Å; D99-T101 PolarHBondContact OD2-OG1 3.32Å; T101-V103 PolarHBondContact O-N 3.46Å; T101-I104 PolarHBondContact O-N 3.44Å; T101-R105 PolarHBondContact O-N 2.74Å; T101-I127 HydrophobicContact CG2-CB 4.29Å; T101-I127 HydrophobicContact CG2-CG2 3.91Å
102E96.2Very high95.9Very high54 Ų5451.3 Ų51.325%0.25224%0.244SC..Hα-helixtrans-70-34.2-170.1-80.6-63.7122.800113.1I95 D99 I104 R105 L106I95-E102 HydrophobicContact CG2-CB 3.66Å; D99-E102 HydrophobicContact CB-CB 4.24Å; D99-E102 HydrophobicContact CB-CG 3.81Å; D99-E102 PolarHBondContact O-N 2.7Å; E102-I104 PolarHBondContact O-N 3.19Å; E102-R105 WeakPolarHBondContact O-CB 3.4Å; E102-R105 PolarHBondContact O-N 3.34Å; E102-R105 VanDerWaalsContact O-N 3.16Å; E102-R105 WeakPolarHBondContact OE1-CD 3.16Å; E102-R105 IonicContact OE1-NE 3.87Å; E102-L106 WeakPolarHBondContact O-CB 3.45Å; E102-L106 VanDerWaalsContact O-CG 3.29Å; E102-L106 WeakPolarHBondContact O-CG 3.48Å; E102-L106 PolarHBondContact O-N 2.81Å
103V96.1Very high95.9Very high0 Ų059.2 Ų59.20%027%0.274CS..Hα-helixtrans-58.8-51.1177.7174.80000110.8P26 I63 W72 M92 I95 H96 T101 R105 L106 E107P26-V103 HydrophobicContact CB-CG1 3.9Å; P26-V103 HydrophobicContact CG-CG1 4.11Å; I63-V103 HydrophobicContact CD1-CB 4.11Å; I63-V103 HydrophobicContact CD1-CG1 3.92Å; W72-V103 HydrophobicContact CZ3-CG2 4.48Å; M92-V103 HydrophobicContact CE-CG1 4.29Å; M92-V103 HydrophobicContact CG-CG1 3.91Å; M92-V103 HydrophobicContact CG-CG2 3.98Å; M92-V103 HydrophobicContact SD-CG1 4.21Å; I95-V103 HydrophobicContact CB-CG2 4.43Å; I95-V103 HydrophobicContact CG2-CG2 4.05Å; H96-V103 HydrophobicContact CB-CG2 3.81Å; T101-V103 PolarHBondContact O-N 3.46Å; V103-R105 VanDerWaalsContact C-N 3.26Å; V103-R105 PolarHBondContact O-N 2.9Å; V103-L106 PolarHBondContact O-N 3.47Å; V103-E107 HydrophobicContact CG1-CG 4.46Å; V103-E107 WeakPolarHBondContact O-CB 3.44Å; V103-E107 WeakPolarHBondContact O-CG 3.45Å; V103-E107 PolarHBondContact O-N 3.42Å
104I97.1Very high95.7Very high0 Ų062.8 Ų62.80%030%0.295CS..Hα-helixtrans-62.6-37.8177.8-61.4-177000110.7A21 I33 V57 I63 T101 E102 T108 I127A21-I104 HydrophobicContact CB-CD1 3.92Å; I33-I104 HydrophobicContact CD1-CG2 4.02Å; V57-I104 HydrophobicContact CG1-CD1 3.74Å; I63-I104 HydrophobicContact CD1-CG1 4.26Å; I63-I104 HydrophobicContact CG2-CD1 3.78Å; I63-I104 HydrophobicContact CG2-CG1 4.26Å; T101-I104 PolarHBondContact O-N 3.44Å; E102-I104 PolarHBondContact O-N 3.19Å; I104-T108 VanDerWaalsContact O-CB 3.27Å; I104-T108 WeakPolarHBondContact O-CB 3.23Å; I104-T108 PolarHBondContact O-N 3.11Å; I104-T108 PolarHBondContact O-OG1 3.32Å; I104-I127 HydrophobicContact CB-CD1 4.11Å; I104-I127 HydrophobicContact CD1-CG2 4.47Å; I104-I127 HydrophobicContact CG2-CD1 3.98Å
105R97.7Very high95.5Very high110 Ų11060.8 Ų60.842%0.41529%0.287SS..Hα-helixtrans-62.5-46.4177.6-168.4-171.3-178.897.3-0.6111.6T101 E102 V103 K109 I127T101-R105 PolarHBondContact O-N 2.74Å; E102-R105 WeakPolarHBondContact O-CB 3.4Å; E102-R105 PolarHBondContact O-N 3.34Å; E102-R105 VanDerWaalsContact O-N 3.16Å; E102-R105 WeakPolarHBondContact OE1-CD 3.16Å; E102-R105 IonicContact OE1-NE 3.87Å; V103-R105 VanDerWaalsContact C-N 3.26Å; V103-R105 PolarHBondContact O-N 2.9Å; R105-K109 VanDerWaalsContact O-CB 3.22Å; R105-K109 WeakPolarHBondContact O-CB 3.5Å; R105-K109 PolarHBondContact O-N 3.27Å; R105-I127 HydrophobicContact CB-CD1 3.86Å
106L96.1Very high95.3Very high43 Ų4368.7 Ų68.723%0.22532%0.324CS..Hα-helixtrans-67.1-45.1179.6-71.1173.3000111.5Y77 I95 E102 V103 K109 A110Y77-L106 HydrophobicContact CD1-CB 4.16Å; Y77-L106 HydrophobicContact CD1-CD1 3.76Å; Y77-L106 HydrophobicContact CD1-CG 4.49Å; Y77-L106 HydrophobicContact CD2-CD1 4.4Å; Y77-L106 HydrophobicContact CE1-CB 3.75Å; Y77-L106 HydrophobicContact CE1-CD1 3.98Å; Y77-L106 HydrophobicContact CE1-CG 4.49Å; Y77-L106 HydrophobicContact CG-CD1 3.97Å; I95-L106 HydrophobicContact CD1-CD1 3.81Å; I95-L106 HydrophobicContact CG2-CD1 4.32Å; E102-L106 WeakPolarHBondContact O-CB 3.45Å; E102-L106 VanDerWaalsContact O-CG 3.29Å; E102-L106 WeakPolarHBondContact O-CG 3.48Å; E102-L106 PolarHBondContact O-N 2.81Å; V103-L106 PolarHBondContact O-N 3.47Å; L106-K109 WeakPolarHBondContact O-CB 3.26Å; L106-K109 PolarHBondContact O-N 2.84Å; L106-A110 WeakPolarHBondContact O-CB 3.32Å; L106-A110 PolarHBondContact O-N 3.39Å
107E96.4Very high95.1Very high14 Ų1469.1 Ų69.17%0.06533%0.331CS..Hα-helixtrans-62-45.5176.2-69.6-52126.500111.1P26 A30 Y77 V103 K109 A110 V111P26-E107 HydrophobicContact CB-CG 4.14Å; A30-E107 VanDerWaalsContact CB-C 3.46Å; A30-E107 HydrophobicContact CB-CB 3.56Å; Y77-E107 VanDerWaalsContact CE1-OE1 3.26Å; Y77-E107 WeakPolarHBondContact CE1-OE1 3.21Å; Y77-E107 VanDerWaalsContact CZ-OE1 3.27Å; Y77-E107 PolarHBondContact OH-OE1 2.96Å; V103-E107 HydrophobicContact CG1-CG 4.46Å; V103-E107 WeakPolarHBondContact O-CB 3.44Å; V103-E107 WeakPolarHBondContact O-CG 3.45Å; V103-E107 PolarHBondContact O-N 3.42Å; E107-K109 VanDerWaalsContact C-N 3.33Å; E107-K109 PolarHBondContact O-N 3.28Å; E107-A110 WeakPolarHBondContact O-CB 3.17Å; E107-A110 PolarHBondContact O-N 3.26Å; E107-A110 VanDerWaalsContact O-N 3.16Å; E107-V111 WeakPolarHBondContact O-CG2 3.02Å; E107-V111 PolarHBondContact O-N 3.19Å
108T97.4Very high95.1Very high0 Ų063.4 Ų63.40%031%0.309CS..Hα-helixtrans-63.9-41.1177.2-53.60000111.2I33 L37 I104 A110 V111 L112 L122 L125I33-T108 HydrophobicContact CG2-CG2 3.96Å; L37-T108 HydrophobicContact CD1-CG2 3.59Å; I104-T108 VanDerWaalsContact O-CB 3.27Å; I104-T108 WeakPolarHBondContact O-CB 3.23Å; I104-T108 PolarHBondContact O-N 3.11Å; I104-T108 PolarHBondContact O-OG1 3.32Å; T108-A110 VanDerWaalsContact C-N 3.29Å; T108-A110 PolarHBondContact O-N 3.19Å; T108-V111 PolarHBondContact O-N 3.27Å; T108-L112 HydrophobicContact CG2-CD1 4.21Å; T108-L112 HydrophobicContact CG2-CG 4.45Å; T108-L112 VanDerWaalsContact O-CG 3.29Å; T108-L112 WeakPolarHBondContact O-CG 3.46Å; T108-L112 PolarHBondContact O-N 2.99Å; T108-L112 VanDerWaalsContact O-N 3.13Å; T108-L122 HydrophobicContact CG2-CD2 4.48Å; T108-L125 HydrophobicContact CG2-CD2 3.81Å
109K96.8Very high95.1Very high92 Ų9264 Ų6440%0.432%0.316SS..Hα-helixtrans-61.1-35.6175176.7-175.4174.6-170.30112.6R105 L106 E107 L122R105-K109 VanDerWaalsContact O-CB 3.22Å; R105-K109 WeakPolarHBondContact O-CB 3.5Å; R105-K109 PolarHBondContact O-N 3.27Å; L106-K109 WeakPolarHBondContact O-CB 3.26Å; L106-K109 PolarHBondContact O-N 2.84Å; E107-K109 VanDerWaalsContact C-N 3.33Å; E107-K109 PolarHBondContact O-N 3.28Å; K109-L122 HydrophobicContact CB-CD1 4.04Å; K109-L122 HydrophobicContact CB-CD2 4.31Å; K109-L122 HydrophobicContact CD-CD1 4.47Å; K109-L122 HydrophobicContact CG-CD1 4.04Å
110A95.7Very high95Very high79 Ų7968.2 Ų68.265%0.65333%0.329SS*.Hα-helixtrans-69.5-36.8179.200000112.2L106 E107 T108L106-A110 WeakPolarHBondContact O-CB 3.32Å; L106-A110 PolarHBondContact O-N 3.39Å; E107-A110 WeakPolarHBondContact O-CB 3.17Å; E107-A110 PolarHBondContact O-N 3.26Å; E107-A110 VanDerWaalsContact O-N 3.16Å; T108-A110 VanDerWaalsContact C-N 3.29Å; T108-A110 PolarHBondContact O-N 3.19Å
111V96.4Very high95Very high67 Ų6767.9 Ų67.941%0.40633%0.325SS..Hα-helixtrans-73.8-33.9177.6179.20000112.2A30 E31 A34 E107 T108A30-V111 HydrophobicContact CB-CG2 4.14Å; E31-V111 HydrophobicContact CG-CG1 4.48Å; E31-V111 HydrophobicContact CG-CG2 4.14Å; A34-V111 HydrophobicContact CB-CB 4.13Å; A34-V111 HydrophobicContact CB-CG1 3.62Å; E107-V111 WeakPolarHBondContact O-CG2 3.02Å; E107-V111 PolarHBondContact O-N 3.19Å; T108-V111 PolarHBondContact O-N 3.27Å
112L95.5Very high95Very high8 Ų867.9 Ų67.94%0.04232%0.324CS..SBendtrans-71.8140179.4-66.1174.9000111.8A34 L37 T108 N114 R118 Q121 L122A34-L112 HydrophobicContact CB-CD2 3.82Å; A34-L112 HydrophobicContact CB-CG 4.38Å; L37-L112 HydrophobicContact CD1-CD1 4.38Å; T108-L112 HydrophobicContact CG2-CD1 4.21Å; T108-L112 HydrophobicContact CG2-CG 4.45Å; T108-L112 VanDerWaalsContact O-CG 3.29Å; T108-L112 WeakPolarHBondContact O-CG 3.46Å; T108-L112 PolarHBondContact O-N 2.99Å; T108-L112 VanDerWaalsContact O-N 3.13Å; L112-N114 PolarHBondContact O-N 2.73Å; L112-R118 HydrophobicContact CB-CG 3.84Å; L112-R118 HydrophobicContact CD1-CG 4.17Å; L112-Q121 HydrophobicContact CD1-CB 3.85Å; L112-L122 HydrophobicContact CD1-CD2 3.96Å; L112-L122 HydrophobicContact CD1-CG 4.08Å
113R92.3Very high95Very high167 Ų16769 Ų6963%0.6334%0.338SS*.  trans-56.6137.9179.1-174.4168.565.8-162.61.2110.9N115 R118R113-N115 VanDerWaalsContact C-N 3.3Å; R113-N115 PolarHBondContact NE-ND2 3.01Å; R113-N115 PolarHBondContact NH2-ND2 3.06Å; R113-N115 PolarHBondContact O-N 3.17Å; R113-N115 PolarHBondContact O-OD1 3.24Å; R113-R118 WeakPolarHBondContact O-CB 3.27Å
114N89.8Confident95Very high131 Ų13169.6 Ų69.670%0.70134%0.341SS*.SBendtrans-76.375.2-179.4-172.823.2000112.2L112 R118L112-N114 PolarHBondContact O-N 2.73Å; N114-R118 PolarHBondContact OD1-NH1 2.78Å; N114-R118 VanDerWaalsContact OD1-NH1 3.13Å; N114-R118 PolarHBondContact OD1-NH2 2.69Å
115N91.6Very high95.1Very high53 Ų5370.1 Ų70.128%0.28334%0.343SS..SBendtrans-142.6-178.9177.767.2-7.6000111.2R113 S117 R118R113-N115 VanDerWaalsContact C-N 3.3Å; R113-N115 PolarHBondContact NE-ND2 3.01Å; R113-N115 PolarHBondContact NH2-ND2 3.06Å; R113-N115 PolarHBondContact O-N 3.17Å; R113-N115 PolarHBondContact O-OD1 3.24Å; N115-S117 VanDerWaalsContact C-N 3.28Å; N115-S117 PolarHBondContact ND2-OG 3.23Å; N115-S117 PolarHBondContact O-N 3.13Å; N115-S117 PolarHBondContact OD1-N 3.24Å; N115-S117 PolarHBondContact OD1-OG 2.82Å; N115-R118 VanDerWaalsContact O-CB 3.28Å; N115-R118 WeakPolarHBondContact O-CB 3.47Å; N115-R118 PolarHBondContact O-N 3.48Å; N115-R118 PolarHBondContact OD1-N 2.64Å
116E90.6Very high95.1Very high168 Ų16867 Ų6779%0.78533%0.333SS*.THydrogen-bonded Turntrans-61-34.7179.6-62.8-172.5160.700113.1R118 K119E116-R118 PolarHBondContact O-N 3.06Å; E116-R118 VanDerWaalsContact O-N 3.15Å; E116-K119 PolarHBondContact O-N 3.2Å; E116-K119 VanDerWaalsContact O-N 3.12Å
117S91.4Very high95.1Very high42 Ų4266 Ų6629%0.29433%0.328SS..Hα-helixtrans-61.4-25.7178.864.70000112.9N115 K119 Y120 Q121N115-S117 VanDerWaalsContact C-N 3.28Å; N115-S117 PolarHBondContact ND2-OG 3.23Å; N115-S117 PolarHBondContact O-N 3.13Å; N115-S117 PolarHBondContact OD1-N 3.24Å; N115-S117 PolarHBondContact OD1-OG 2.82Å; S117-K119 PolarHBondContact O-N 2.74Å; S117-Y120 PolarHBondContact O-N 3.21Å; S117-Y120 VanDerWaalsContact O-N 3.16Å; S117-Q121 VanDerWaalsContact O-CG 3.29Å; S117-Q121 WeakPolarHBondContact O-CG 3.48Å; S117-Q121 PolarHBondContact O-N 2.95Å
118R95Very high95.2Very high56 Ų5667.1 Ų67.121%0.21133%0.332CS..Hα-helixtrans-58.8-36.6176.7-171.2173.564-167.8-6.3112.4L112 R113 N114 N115 E116 Q121 L122L112-R118 HydrophobicContact CB-CG 3.84Å; L112-R118 HydrophobicContact CD1-CG 4.17Å; R113-R118 WeakPolarHBondContact O-CB 3.27Å; N114-R118 PolarHBondContact OD1-NH1 2.78Å; N114-R118 VanDerWaalsContact OD1-NH1 3.13Å; N114-R118 PolarHBondContact OD1-NH2 2.69Å; N115-R118 VanDerWaalsContact O-CB 3.28Å; N115-R118 WeakPolarHBondContact O-CB 3.47Å; N115-R118 PolarHBondContact O-N 3.48Å; N115-R118 PolarHBondContact OD1-N 2.64Å; E116-R118 PolarHBondContact O-N 3.06Å; E116-R118 VanDerWaalsContact O-N 3.15Å; R118-Q121 PolarHBondContact O-N 3.16Å; R118-L122 HydrophobicContact CG-CD1 3.92Å; R118-L122 HydrophobicContact CG-CG 4.27Å; R118-L122 WeakPolarHBondContact O-CB 3.24Å; R118-L122 VanDerWaalsContact O-CG 3.31Å; R118-L122 WeakPolarHBondContact O-CG 3.34Å; R118-L122 PolarHBondContact O-N 3.17Å
119K95.3Very high95.1Very high162 Ų16268.5 Ų68.570%0.70434%0.341SS*.Hα-helixtrans-61.9-46177.4-177.3-177.5174.6-174.70110.7E116 S117 L122 S123E116-K119 PolarHBondContact O-N 3.2Å; E116-K119 VanDerWaalsContact O-N 3.12Å; S117-K119 PolarHBondContact O-N 2.74Å; K119-L122 PolarHBondContact O-N 3.07Å; K119-S123 PolarHBondContact O-N 3.43Å
120Y94.3Very high95Very high144 Ų14466.9 Ų66.957%0.56534%0.335SS*.Hα-helixtrans-71.8-31.5178.7-59.4-69.7000113S117 S123 R124S117-Y120 PolarHBondContact O-N 3.21Å; S117-Y120 VanDerWaalsContact O-N 3.16Å; Y120-S123 WeakPolarHBondContact CA-OG 3.49Å; Y120-S123 PolarHBondContact O-OG 3.17Å; Y120-R124 WeakPolarHBondContact O-CG 3.49Å; Y120-R124 PolarHBondContact O-NE 2.91Å
121Q95.9Very high94.8Very high13 Ų1367 Ų676%0.06132%0.324CS..Hα-helixtrans-67.7-46.3172.5-71.5165.6-1600111L112 S117 R118 S123 R124L112-Q121 HydrophobicContact CD1-CB 3.85Å; S117-Q121 VanDerWaalsContact O-CG 3.29Å; S117-Q121 WeakPolarHBondContact O-CG 3.48Å; S117-Q121 PolarHBondContact O-N 2.95Å; R118-Q121 PolarHBondContact O-N 3.16Å; Q121-S123 VanDerWaalsContact C-N 3.32Å; Q121-S123 PolarHBondContact O-N 3.04Å; Q121-R124 PolarHBondContact O-N 3.16Å; Q121-R124 VanDerWaalsContact O-N 3.13Å
122L97.1Very high94.4Very high23 Ų2367.7 Ų67.712%0.1233%0.325CS..Hα-helixtrans-68.2-28.5178-70.7173.2000113T108 K109 L112 R118 K119 R124 L125T108-L122 HydrophobicContact CG2-CD2 4.48Å; K109-L122 HydrophobicContact CB-CD1 4.04Å; K109-L122 HydrophobicContact CB-CD2 4.31Å; K109-L122 HydrophobicContact CD-CD1 4.47Å; K109-L122 HydrophobicContact CG-CD1 4.04Å; L112-L122 HydrophobicContact CD1-CD2 3.96Å; L112-L122 HydrophobicContact CD1-CG 4.08Å; R118-L122 HydrophobicContact CG-CD1 3.92Å; R118-L122 HydrophobicContact CG-CG 4.27Å; R118-L122 WeakPolarHBondContact O-CB 3.24Å; R118-L122 VanDerWaalsContact O-CG 3.31Å; R118-L122 WeakPolarHBondContact O-CG 3.34Å; R118-L122 PolarHBondContact O-N 3.17Å; K119-L122 PolarHBondContact O-N 3.07Å; L122-R124 PolarHBondContact O-N 2.94Å; L122-L125 HydrophobicContact CD2-CD2 4.14Å; L122-L125 WeakPolarHBondContact O-CB 3.18Å; L122-L125 PolarHBondContact O-N 3.42Å; L122-L125 VanDerWaalsContact O-N 3.17Å
123S96.8Very high94Very high78 Ų7876.4 Ų76.455%0.54537%0.365SS..THydrogen-bonded Turntrans-69.4-13.9173.666.30000113.6K119 Y120 Q121K119-S123 PolarHBondContact O-N 3.43Å; Y120-S123 WeakPolarHBondContact CA-OG 3.49Å; Y120-S123 PolarHBondContact O-OG 3.17Å; Q121-S123 VanDerWaalsContact C-N 3.32Å; Q121-S123 PolarHBondContact O-N 3.04Å
124R96.7Very high93.8Very high12 Ų1271.7 Ų71.75%0.04536%0.355CS..THydrogen-bonded Turntrans-96.6-4174.8-65.8-177.1-71.4-160.7-10.8112.9L37 D50 G52 H54 V55 Y120 Q121 L122L37-R124 HydrophobicContact CD2-CB 4.18Å; L37-R124 PolarHBondContact O-NH2 2.85Å; D50-R124 VanDerWaalsContact CG-NH1 3.28Å; D50-R124 IonicContact OD1-CZ 3.32Å; D50-R124 VanDerWaalsContact OD1-CZ 3.32Å; D50-R124 IonicContact OD1-NH1 2.94Å; D50-R124 PolarHBondContact OD1-NH1 2.96Å; D50-R124 IonicContact OD1-NH2 2.75Å; D50-R124 PolarHBondContact OD1-NH2 3.14Å; D50-R124 IonicContact OD2-CZ 3.46Å; D50-R124 IonicContact OD2-NH1 2.83Å; D50-R124 PolarHBondContact OD2-NH1 3.42Å; D50-R124 IonicContact OD2-NH2 3.41Å; D50-R124 PolarHBondContact OD2-NH2 3.14Å; G52-R124 VanDerWaalsContact C-NH1 3.27Å; G52-R124 VanDerWaalsContact CA-NH1 3.26Å; G52-R124 PolarHBondContact O-NH1 2.53Å; H54-R124 WeakPolarHBondContact CA-O 3.2Å; V55-R124 PolarHBondContact N-O 2.92Å; Y120-R124 WeakPolarHBondContact O-CG 3.49Å; Y120-R124 PolarHBondContact O-NE 2.91Å; Q121-R124 PolarHBondContact O-N 3.16Å; Q121-R124 VanDerWaalsContact O-N 3.13Å; L122-R124 PolarHBondContact O-N 2.94Å
125L98.1Very high93.9Very high11 Ų1165.8 Ų65.86%0.05832%0.324CS..EExtended strand (participates in β ladder)trans-91.6109.8174.9179.660.1000108.9I33 L37 V55 V57 T108 L122 I127I33-L125 HydrophobicContact CG2-CD1 3.66Å; L37-L125 HydrophobicContact CD1-CB 4.01Å; L37-L125 HydrophobicContact CD1-CD1 4.31Å; L37-L125 HydrophobicContact CD1-CD2 4.3Å; L37-L125 HydrophobicContact CD1-CG 4.43Å; L37-L125 HydrophobicContact CD2-CB 4.17Å; V55-L125 HydrophobicContact CB-CD1 4.37Å; V55-L125 HydrophobicContact CG1-CD1 4.46Å; V57-L125 HydrophobicContact CG2-CD1 3.83Å; T108-L125 HydrophobicContact CG2-CD2 3.81Å; L122-L125 HydrophobicContact CD2-CD2 4.14Å; L122-L125 WeakPolarHBondContact O-CB 3.18Å; L122-L125 PolarHBondContact O-N 3.42Å; L122-L125 VanDerWaalsContact O-N 3.17Å; L125-I127 HydrophobicContact CD1-CG1 4.08Å; L125-I127 HydrophobicContact CD2-CD1 3.87Å; L125-I127 HydrophobicContact CD2-CG1 4.3Å; L125-I127 HydrophobicContact CG-CD1 3.95Å; L125-I127 HydrophobicContact CG-CG1 3.81Å
126H97.2Very high94Very high44 Ų4466.1 Ų66.120%0.20433%0.329CS..EExtended strand (participates in β ladder)trans-106.5122.6177.6-53.6-67.1000107.8W16 H54 V55 V56 V57 Y128W16-H126 AromaticContact CH2-CD2 4Å; W16-H126 AromaticContact CH2-NE2 3.39Å; W16-H126 WeakPolarHBondContact CH2-NE2 3.39Å; W16-H126 AromaticContact CZ3-CD2 3.39Å; W16-H126 WeakPolarHBondContact CZ3-CD2 3.39Å; W16-H126 AromaticContact CZ3-NE2 3.3Å; W16-H126 VanDerWaalsContact CZ3-NE2 3.3Å; W16-H126 WeakPolarHBondContact CZ3-NE2 3.36Å; H54-H126 AromaticContact ND1-NE2 3.38Å; H54-H126 PolarHBondContact ND1-NE2 2.88Å; V55-H126 PolarHBondContact O-N 3.09Å; V56-H126 CarbonylContact C-O 3.53Å; V56-H126 WeakPolarHBondContact CA-O 3.44Å; V56-H126 HydrophobicContact CG2-CB 4.28Å; V57-H126 PolarHBondContact N-O 2.86Å; H126-Y128 HydrophobicContact CB-CE2 3.99Å
127I97.8Very high94.1Very high23 Ų2366.6 Ų66.612%0.11833%0.328CS..EExtended strand (participates in β ladder)trans-123.1129.6-174.6-50.9170000108.1V57 T101 I104 R105 L125V57-I127 HydrophobicContact CB-CG1 4.33Å; V57-I127 HydrophobicContact CB-CG2 4.24Å; V57-I127 HydrophobicContact CG1-CG2 4.37Å; T101-I127 HydrophobicContact CG2-CB 4.29Å; T101-I127 HydrophobicContact CG2-CG2 3.91Å; I104-I127 HydrophobicContact CB-CD1 4.11Å; I104-I127 HydrophobicContact CD1-CG2 4.47Å; I104-I127 HydrophobicContact CG2-CD1 3.98Å; R105-I127 HydrophobicContact CB-CD1 3.86Å; L125-I127 HydrophobicContact CD1-CG1 4.08Å; L125-I127 HydrophobicContact CD2-CD1 3.87Å; L125-I127 HydrophobicContact CD2-CG1 4.3Å; L125-I127 HydrophobicContact CG-CD1 3.95Å; L125-I127 HydrophobicContact CG-CG1 3.81Å
128Y97.4Very high94.2Very high36 Ų3670.6 Ų70.614%0.14135%0.346CS..  trans-122136.2178.8-62.2-77.8000110.4V56 V57 N59 S60 H126 E130 T134 I135 P136 I139V56-Y128 HydrophobicContact CG1-CD2 3.88Å; V56-Y128 HydrophobicContact CG1-CE2 3.84Å; V57-Y128 PolarHBondContact O-N 3.09Å; N59-Y128 PolarHBondContact N-O 3.36Å; S60-Y128 WeakPolarHBondContact CB-O 3.19Å; S60-Y128 PolarHBondContact N-O 3.43Å; S60-Y128 VanDerWaalsContact N-O 3.15Å; S60-Y128 PolarHBondContact OG-O 2.93Å; H126-Y128 HydrophobicContact CB-CE2 3.99Å; Y128-E130 VanDerWaalsContact C-N 3.33Å; Y128-E130 PolarHBondContact O-N 2.6Å; Y128-T134 HydrophobicContact CD1-CG2 4.2Å; Y128-I135 HydrophobicContact CD2-CG1 3.88Å; Y128-I135 HydrophobicContact CE2-CG1 4.19Å; Y128-I135 HydrophobicContact CE2-CG2 4.06Å; Y128-I135 HydrophobicContact CG-CG1 4.22Å; Y128-P136 WeakPolarHBondContact OH-CD 3.36Å; Y128-I139 WeakPolarHBondContact OH-CD1 3.38Å
129P96.1Very high94.1Very high30 Ų3069 Ų6920%0.19534%0.342CS..SBendtrans-63.3-40.9-178.422.9-32.3000112.9N59 S60 R61 P100N59-P129 CarbonylContact C-O 3.6Å; N59-P129 WeakPolarHBondContact CA-O 3.07Å; S60-P129 PolarHBondContact N-O 3.42Å; S60-P129 WeakPolarHBondContact OG-CA 3.43Å; R61-P129 VanDerWaalsContact CB-O 3.29Å; R61-P129 WeakPolarHBondContact CB-O 3.29Å; R61-P129 PolarHBondContact N-O 3.42Å; P100-P129 HydrophobicContact CB-CB 4.48Å; P100-P129 HydrophobicContact CG-CB 3.67Å
130E94.4Very high94Very high58 Ų5864.4 Ų64.427%0.27132%0.324SS..SBendtrans-107.5-168.4-171.3-60.4-61.6165.300111N59 R61 Y128 T134N59-E130 PolarHBondContact N-O 3.2Å; R61-E130 IonicContact CZ-OE1 3.63Å; R61-E130 IonicContact NE-OE1 2.74Å; R61-E130 PolarHBondContact NE-OE1 2.81Å; R61-E130 IonicContact NH1-OE1 3.93Å; R61-E130 PolarHBondContact NH1-OE1 2.97Å; R61-E130 IonicContact NH2-OE1 2.6Å; R61-E130 PolarHBondContact NH2-OE1 3.42Å; Y128-E130 VanDerWaalsContact C-N 3.33Å; Y128-E130 PolarHBondContact O-N 2.6Å; E130-T134 WeakPolarHBondContact CB-OG1 3.33Å
131N90.5Very high94.1Very high80 Ų8061.6 Ų61.643%0.42833%0.331SS..SBendtrans-75-173.4-179.1-150.6-20.4000112.3N59 E133 T134N59-N131 WeakPolarHBondContact OD1-CA 3.43Å; N59-N131 PolarHBondContact OD1-N 2.92Å; N131-E133 PolarHBondContact O-N 2.87Å; N131-T134 PolarHBondContact O-N 3.27Å; N131-T134 VanDerWaalsContact O-N 3.14Å
132I88.2Confident94Very high82 Ų8265.3 Ų65.342%0.42135%0.351SS..G310 helixtrans-52.8-28.6-173.2-64.3159.8000113.4I18 I58 T134 I135 I140I18-I132 HydrophobicContact CD1-CG1 4.39Å; I58-I132 HydrophobicContact CD1-CG1 4.11Å; I132-T134 PolarHBondContact O-N 3.42Å; I132-I135 HydrophobicContact CB-CD1 4.43Å; I132-I135 HydrophobicContact CG1-CD1 4.5Å; I132-I135 HydrophobicContact CG2-CD1 4.39Å; I132-I135 WeakPolarHBondContact O-CB 3.44Å; I132-I135 WeakPolarHBondContact O-CG1 3.46Å; I132-I135 PolarHBondContact O-N 3.21Å; I132-I135 VanDerWaalsContact O-N 3.08Å; I132-I140 HydrophobicContact CG2-CD1 4.05Å
133E87.4Confident93.9Very high191 Ų19166.3 Ų66.389%0.89336%0.356SS*.G310 helixtrans-60.6-28.6-179-61180-178.400114N131 I135N131-E133 PolarHBondContact O-N 2.87Å; E133-I135 VanDerWaalsContact C-N 3.3Å
134T88.4Confident93.7Very high69 Ų6966.3 Ų66.342%0.42336%0.356SS..G310 helixtrans-80.7-14.4-179.6-57.80000112.3Y128 E130 N131 I132Y128-T134 HydrophobicContact CD1-CG2 4.2Å; E130-T134 WeakPolarHBondContact CB-OG1 3.33Å; N131-T134 PolarHBondContact O-N 3.27Å; N131-T134 VanDerWaalsContact O-N 3.14Å; I132-T134 PolarHBondContact O-N 3.42Å
135I91.6Very high93.6Very high7 Ų766.9 Ų66.94%0.03637%0.365CS..SBendtrans-76.3132.7-176.8-50.4173.1000109.3I18 V56 I58 Y128 I132 E133 K137 I139 I140I18-I135 HydrophobicContact CD1-CD1 4.25Å; V56-I135 HydrophobicContact CG1-CD1 4.04Å; I58-I135 HydrophobicContact CG2-CD1 3.6Å; I58-I135 HydrophobicContact CG2-CG1 4.24Å; Y128-I135 HydrophobicContact CD2-CG1 3.88Å; Y128-I135 HydrophobicContact CE2-CG1 4.19Å; Y128-I135 HydrophobicContact CE2-CG2 4.06Å; Y128-I135 HydrophobicContact CG-CG1 4.22Å; I132-I135 HydrophobicContact CB-CD1 4.43Å; I132-I135 HydrophobicContact CG1-CD1 4.5Å; I132-I135 HydrophobicContact CG2-CD1 4.39Å; I132-I135 WeakPolarHBondContact O-CB 3.44Å; I132-I135 WeakPolarHBondContact O-CG1 3.46Å; I132-I135 PolarHBondContact O-N 3.21Å; I132-I135 VanDerWaalsContact O-N 3.08Å; E133-I135 VanDerWaalsContact C-N 3.3Å; I135-K137 PolarHBondContact O-N 2.98Å; I135-I139 HydrophobicContact CG2-CB 3.75Å; I135-I139 HydrophobicContact CG2-CG2 3.6Å; I135-I140 HydrophobicContact CB-CD1 3.95Å; I135-I140 HydrophobicContact CB-CG1 3.67Å; I135-I140 HydrophobicContact CD1-CG1 4.44Å; I135-I140 HydrophobicContact CG2-CD1 4.39Å; I135-I140 HydrophobicContact CG2-CG1 3.6Å; I135-I140 WeakPolarHBondContact O-CD1 3.44Å
136P94Very high93.5Very high59 Ų5971.7 Ų71.738%0.38340%0.395SS..  trans-54.6138.9170.7-25.434.2000112.1Y128 D138 I139 I140Y128-P136 WeakPolarHBondContact OH-CD 3.36Å; P136-D138 PolarHBondContact O-N 3.24Å; P136-D138 VanDerWaalsContact O-N 3.12Å; P136-I139 HydrophobicContact CB-CD1 4.5Å; P136-I139 HydrophobicContact CG-CD1 4.22Å; P136-I139 PolarHBondContact O-N 3.36Å; P136-I140 PolarHBondContact O-N 3.15Å; P136-I140 VanDerWaalsContact O-N 3.14Å
137K92.5Very high93.5Very high178 Ų17869.7 Ų69.777%0.77439%0.386SS*.Hα-helixtrans-53.8-36.6-177.7-67.1-179.3179.8179.40112.8I135 I139 I140 A141I135-K137 PolarHBondContact O-N 2.98Å; K137-I139 VanDerWaalsContact C-N 3.3Å; K137-I139 PolarHBondContact O-N 3.14Å; K137-I140 PolarHBondContact O-N 3.47Å; K137-A141 WeakPolarHBondContact O-CB 3.14Å; K137-A141 PolarHBondContact O-N 2.95Å
138D93.6Very high93.5Very high127 Ų12772 Ų7268%0.67940%0.402SS*.Hα-helixtrans-63.9-36.8179.8-50.7-25.3000112P136 N142P136-D138 PolarHBondContact O-N 3.24Å; P136-D138 VanDerWaalsContact O-N 3.12Å; D138-N142 PolarHBondContact O-ND2 2.81Å
139I93.8Very high93.4Very high22 Ų2273.4 Ų73.411%0.11341%0.41CS..Hα-helixtrans-73.6-45.8177.2-68.6174.1000109.4W16 V56 Y128 I135 P136 K137 A141 N142 I143W16-I139 HydrophobicContact CE3-CG2 3.93Å; W16-I139 HydrophobicContact CH2-CG1 4.18Å; W16-I139 HydrophobicContact CZ3-CB 4.27Å; W16-I139 HydrophobicContact CZ3-CD1 4.3Å; W16-I139 HydrophobicContact CZ3-CG1 3.85Å; W16-I139 HydrophobicContact CZ3-CG2 3.72Å; V56-I139 HydrophobicContact CG1-CG2 4.5Å; V56-I139 HydrophobicContact CG2-CG2 3.64Å; Y128-I139 WeakPolarHBondContact OH-CD1 3.38Å; I135-I139 HydrophobicContact CG2-CB 3.75Å; I135-I139 HydrophobicContact CG2-CG2 3.6Å; P136-I139 HydrophobicContact CB-CD1 4.5Å; P136-I139 HydrophobicContact CG-CD1 4.22Å; P136-I139 PolarHBondContact O-N 3.36Å; K137-I139 VanDerWaalsContact C-N 3.3Å; K137-I139 PolarHBondContact O-N 3.14Å; I139-A141 VanDerWaalsContact C-N 3.25Å; I139-A141 PolarHBondContact O-N 2.88Å; I139-N142 PolarHBondContact O-N 2.8Å; I139-I143 WeakPolarHBondContact O-CG1 3.41Å; I139-I143 PolarHBondContact O-N 3.21Å
140I93.3Very high93.3Very high66 Ų6674.2 Ų74.234%0.33842%0.415SS..Hα-helixtrans-54.8-43.9178.1-62.2174.2000110.8I132 I135 P136 K137 N142 I143I132-I140 HydrophobicContact CG2-CD1 4.05Å; I135-I140 HydrophobicContact CB-CD1 3.95Å; I135-I140 HydrophobicContact CB-CG1 3.67Å; I135-I140 HydrophobicContact CD1-CG1 4.44Å; I135-I140 HydrophobicContact CG2-CD1 4.39Å; I135-I140 HydrophobicContact CG2-CG1 3.6Å; I135-I140 WeakPolarHBondContact O-CD1 3.44Å; P136-I140 PolarHBondContact O-N 3.15Å; P136-I140 VanDerWaalsContact O-N 3.14Å; K137-I140 PolarHBondContact O-N 3.47Å; I140-N142 PolarHBondContact O-N 2.9Å; I140-I143 PolarHBondContact O-N 3.46Å
141A94.3Very high93.2Very high85 Ų8574.6 Ų74.670%0.70242%0.417SS*.Hα-helixtrans-63.2-23.8-179.600000113.9K137 I139K137-A141 WeakPolarHBondContact O-CB 3.14Å; K137-A141 PolarHBondContact O-N 2.95Å; I139-A141 VanDerWaalsContact C-N 3.25Å; I139-A141 PolarHBondContact O-N 2.88Å
142N93.9Very high93.3Very high90 Ų9080.3 Ų80.348%0.48144%0.438SS..Hα-helixtrans-91.8-15.1-178.2-74.4-51.4000113.6W16 D138 I139 I140 S144W16-N142 HydrophobicContact CB-CB 4.37Å; W16-N142 WeakPolarHBondContact CB-O 3.3Å; W16-N142 HydrophobicContact CD2-CB 4.12Å; W16-N142 HydrophobicContact CG-CB 3.9Å; D138-N142 PolarHBondContact O-ND2 2.81Å; I139-N142 PolarHBondContact O-N 2.8Å; I140-N142 PolarHBondContact O-N 2.9Å; N142-S144 PolarHBondContact O-N 3.01Å; N142-S144 VanDerWaalsContact O-N 3.17Å
143I95.2Very high93.4Very high45 Ų4578.4 Ų78.423%0.23143%0.43CS..EExtended strand (participates in β ladder)trans-62.4118.4-176.6-62.4170.2000109.8I18 I139 I140I18-I143 HydrophobicContact CB-CD1 4.3Å; I18-I143 HydrophobicContact CB-CG2 4.03Å; I18-I143 HydrophobicContact CD1-CD1 4.1Å; I18-I143 HydrophobicContact CG2-CG2 3.89Å; I139-I143 WeakPolarHBondContact O-CG1 3.41Å; I139-I143 PolarHBondContact O-N 3.21Å; I140-I143 PolarHBondContact O-N 3.46Å
144S93.7Very high93.6Very high78 Ų7873.2 Ų73.255%0.54541%0.413SS..EExtended strand (participates in β ladder)trans-105.9-15.7-177.460.60000113.5W16 N142W16-S144 PolarHBondContact O-N 2.84Å; W16-S144 PolarHBondContact O-OG 3.42Å; N142-S144 PolarHBondContact O-N 3.01Å; N142-S144 VanDerWaalsContact O-N 3.17Å
145G94.8Very high93.7Very high23 Ų2375 Ų7524%0.23742%0.415CS..EExtended strand (participates in β ladder)trans-162.4167.9-176.100000114.6W16 L17 I18W16-G145 PolarHBondContact O-N 2.93Å; L17-G145 CarbonylContact C-O 3.56Å; L17-G145 WeakPolarHBondContact CA-O 3.5Å; I18-G145 PolarHBondContact N-O 3.31Å
146V96.4Very high93.7Very high112 Ų11281.8 Ų81.868%0.67944%0.44SS*.EExtended strand (participates in β ladder)trans-116.9131.8-178.7-175.30000109.5I18I18-V146 HydrophobicContact CG2-CB 4.19Å; I18-V146 HydrophobicContact CG2-CG1 4.21Å; I18-V146 HydrophobicContact CG2-CG2 3.73Å; I18-V146 CarbonylContact O-C 3.45Å; I18-V146 WeakPolarHBondContact O-CA 3.34Å
147I97.2Very high93.5Very high2 Ų285.4 Ų85.41%0.0146%0.456CS..EExtended strand (participates in β ladder)trans-82.8126.5171.9-63.2169.6000108.1L17 I18 Y19 R32 Y36 V55L17-I147 HydrophobicContact CB-CD1 3.85Å; L17-I147 HydrophobicContact CB-CG1 3.86Å; L17-I147 HydrophobicContact CD1-CD1 4.3Å; L17-I147 HydrophobicContact CD1-CG1 4.19Å; I18-I147 PolarHBondContact O-N 2.95Å; Y19-I147 HydrophobicContact CD2-CB 3.87Å; Y19-I147 HydrophobicContact CD2-CG2 3.62Å; Y19-I147 HydrophobicContact CE2-CG2 4.27Å; Y19-I147 HydrophobicContact CG-CB 4.49Å; R32-I147 HydrophobicContact CG-CG2 3.8Å; Y36-I147 HydrophobicContact CD1-CD1 4.21Å; Y36-I147 HydrophobicContact CD1-CG1 4.18Å; Y36-I147 HydrophobicContact CD2-CD1 3.59Å; Y36-I147 HydrophobicContact CD2-CG1 3.93Å; Y36-I147 HydrophobicContact CD2-CG2 3.94Å; Y36-I147 HydrophobicContact CE1-CG1 4.12Å; Y36-I147 HydrophobicContact CE2-CB 4.27Å; Y36-I147 HydrophobicContact CE2-CD1 4.09Å; Y36-I147 HydrophobicContact CE2-CG1 3.93Å; Y36-I147 HydrophobicContact CE2-CG2 3.4Å; Y36-I147 VanDerWaalsContact CE2-CG2 3.4Å; Y36-I147 HydrophobicContact CG-CD1 3.67Å; Y36-I147 HydrophobicContact CG-CG1 4.08Å; V55-I147 HydrophobicContact CG1-CD1 3.74Å; V55-I147 HydrophobicContact CG2-CD1 4.07Å
148P96.2Very high93.5Very high72 Ų7283.2 Ų83.247%0.46845%0.448SS..PPolyproline II helixtrans-64.6138.9178.424.6-32.6000111.5
149Q95.4Very high93.4Very high65 Ų6581.4 Ų81.430%0.30444%0.438SS..PPolyproline II helixtrans-59152.9172.8-74.5179.6-33.700111.5D20 Q24D20-Q149 VanDerWaalsContact CG-NE2 3.28Å; D20-Q149 WeakPolarHBondContact O-CG 3.42Å; D20-Q149 PolarHBondContact O-NE2 2.76Å; D20-Q149 PolarHBondContact OD2-NE2 3.22Å; Q24-Q149 HydrophobicContact CG-CG 4.32Å
150V94.1Very high93.4Very high48 Ų4883.9 Ų83.929%0.29145%0.447SS..SBendtrans-87.4-41.8-176.8-175.60000110.5L28 R32L28-V150 HydrophobicContact CB-CB 4.45Å; L28-V150 HydrophobicContact CB-CG1 3.99Å; L28-V150 HydrophobicContact CD1-CG1 4.3Å; R32-V150 HydrophobicContact CB-CG2 3.82Å; R32-V150 HydrophobicContact CG-CG2 4.11Å
151M92.6Very high93.5Very high65 Ų6582.9 Ų82.932%0.3245%0.446SS..SBendtrans-109.8141.5178.3-58.4-173.2-52.300109.7M23 Q24 C25 L28 V153M23-M151 WeakPolarHBondContact O-CE 3.45Å; Q24-M151 PolarHBondContact NE2-O 3.22Å; Q24-M151 PolarHBondContact OE1-O 2.83Å; C25-M151 HydrophobicContact CB-CE 3.69Å; C25-M151 HydrophobicContact CB-SD 4.08Å; L28-M151 HydrophobicContact CD1-CG 4.4Å; L28-M151 HydrophobicContact CD1-SD 4.2Å; M151-V153 PolarHBondContact O-N 3.29Å
152K91.9Very high93.4Very high201 Ų20183.3 Ų83.387%0.87444%0.44SS*.PPolyproline II helixtrans-68.7126.8171.4-174178.1-179.2-178.70108.7
153V91.9Very high93.4Very high41 Ų4185.5 Ų85.525%0.24845%0.447CS..PPolyproline II helixtrans-66.6125.9178.2-177.90000109.3F22 M23 M151F22-V153 HydrophobicContact CD1-CG1 3.91Å; F22-V153 HydrophobicContact CD1-CG2 4.37Å; F22-V153 HydrophobicContact CE1-CG1 3.82Å; M23-V153 HydrophobicContact CB-CG1 4.46Å; M23-V153 HydrophobicContact CE-CG1 3.46Å; M23-V153 VanDerWaalsContact CE-CG1 3.46Å; M151-V153 PolarHBondContact O-N 3.29Å
154P90.4Very high93.3Very high82 Ų8286.4 Ų86.453%0.53245%0.45SS..PPolyproline II helixtrans-70.7135.5176.429.2-33.2000110.3M23M23-P154 HydrophobicContact CE-CG 4.11Å; M23-P154 HydrophobicContact SD-CG 3.83Å
155K90.6Very high93.1Very high106 Ų10686.1 Ų86.146%0.46144%0.442SS..PPolyproline II helixtrans-77.2140.3169.6-70.2-172.9176.5-169.20109.4D159 Y160 E164K155-D159 HydrophobicContact CB-CB 4.26Å; K155-Y160 HydrophobicContact CB-CD2 4.42Å; K155-Y160 HydrophobicContact CB-CE2 3.68Å; K155-Y160 HydrophobicContact CD-CD1 4.49Å; K155-Y160 HydrophobicContact CD-CE1 4.11Å; K155-E164 IonicContact NZ-OE1 2.92Å; K155-E164 PolarHBondContact NZ-OE1 3.16Å; K155-E164 IonicContact NZ-OE2 3.43Å
156R92Very high92.8Very high150 Ų15090.3 Ų90.357%0.56646%0.459SS*.PPolyproline II helixtrans-79160.1169.7-56.9-17872.6-160.9-1.3109.1E158 D159 Y160R156-E158 HydrophobicContact CB-CG 3.78Å; R156-E158 IonicContact CZ-OE1 2.69Å; R156-E158 VanDerWaalsContact CZ-OE1 3.25Å; R156-E158 IonicContact CZ-OE2 3.41Å; R156-E158 IonicContact NE-OE1 3.62Å; R156-E158 VanDerWaalsContact NH1-CD 3.32Å; R156-E158 IonicContact NH1-OE1 2.74Å; R156-E158 PolarHBondContact NH1-OE1 2.81Å; R156-E158 IonicContact NH1-OE2 3.73Å; R156-E158 PolarHBondContact NH1-OE2 2.74Å; R156-E158 IonicContact NH2-OE2 3.2Å; R156-E158 PolarHBondContact O-N 3.04Å; R156-D159 WeakPolarHBondContact CB-OD2 3.35Å; R156-D159 PolarHBondContact N-OD2 3.05Å; R156-D159 WeakPolarHBondContact O-CB 3Å; R156-D159 PolarHBondContact O-N 3.22Å; R156-Y160 WeakPolarHBondContact O-CD2 3.39Å; R156-Y160 VanDerWaalsContact O-CE2 3.29Å; R156-Y160 WeakPolarHBondContact O-CE2 3.45Å
157L89.9Confident92.7Very high136 Ų13692.9 Ų92.971%0.71246%0.464SS*.G310 helixtrans-56.2-35.5178.7-177.860.3000112.5D159 Y160 L165L157-D159 VanDerWaalsContact C-N 3.28Å; L157-D159 PolarHBondContact O-N 3.11Å; L157-Y160 PolarHBondContact O-N 2.96Å; L157-L165 HydrophobicContact CD1-CD2 4.12Å
158E92.2Very high92.3Very high132 Ų13298 Ų9862%0.61749%0.486SS*.G310 helixtrans-68.3-21.3176.962-171.3-154.400114.3R156 Y160R156-E158 HydrophobicContact CB-CG 3.78Å; R156-E158 IonicContact CZ-OE1 2.69Å; R156-E158 VanDerWaalsContact CZ-OE1 3.25Å; R156-E158 IonicContact CZ-OE2 3.41Å; R156-E158 IonicContact NE-OE1 3.62Å; R156-E158 VanDerWaalsContact NH1-CD 3.32Å; R156-E158 IonicContact NH1-OE1 2.74Å; R156-E158 PolarHBondContact NH1-OE1 2.81Å; R156-E158 IonicContact NH1-OE2 3.73Å; R156-E158 PolarHBondContact NH1-OE2 2.74Å; R156-E158 IonicContact NH2-OE2 3.2Å; R156-E158 PolarHBondContact O-N 3.04Å; E158-Y160 VanDerWaalsContact C-N 3.28Å
159D92.3Very high92Very high88 Ų88100.1 Ų100.147%0.47150%0.5SS..G310 helixtrans-83.3-8.3-179.2-57.6-40.3000112.3K155 R156 L157K155-D159 HydrophobicContact CB-CB 4.26Å; R156-D159 WeakPolarHBondContact CB-OD2 3.35Å; R156-D159 PolarHBondContact N-OD2 3.05Å; R156-D159 WeakPolarHBondContact O-CB 3Å; R156-D159 PolarHBondContact O-N 3.22Å; L157-D159 VanDerWaalsContact C-N 3.28Å; L157-D159 PolarHBondContact O-N 3.11Å
160Y93.4Very high91.6Very high74 Ų74103.9 Ų103.929%0.2952%0.515SS..SBendtrans-85.1133178.8-69-90.1000110.5K155 R156 L157 E158 E164 L165 F168K155-Y160 HydrophobicContact CB-CD2 4.42Å; K155-Y160 HydrophobicContact CB-CE2 3.68Å; K155-Y160 HydrophobicContact CD-CD1 4.49Å; K155-Y160 HydrophobicContact CD-CE1 4.11Å; R156-Y160 WeakPolarHBondContact O-CD2 3.39Å; R156-Y160 VanDerWaalsContact O-CE2 3.29Å; R156-Y160 WeakPolarHBondContact O-CE2 3.45Å; L157-Y160 PolarHBondContact O-N 2.96Å; E158-Y160 VanDerWaalsContact C-N 3.28Å; Y160-E164 HydrophobicContact CD1-CB 4.43Å; Y160-L165 HydrophobicContact CG-CD2 4.26Å; Y160-F168 AromaticContact CD1-CE2 3.95Å; Y160-F168 HydrophobicContact CD1-CE2 3.95Å; Y160-F168 HydrophobicContact CD1-CZ 4.42Å; Y160-F168 AromaticContact CE1-CE2 3.93Å; Y160-F168 HydrophobicContact CE1-CE2 3.93Å; Y160-F168 AromaticContact CE1-CZ 3.93Å; Y160-F168 HydrophobicContact CE1-CZ 3.93Å
161S94.3Very high91.1Very high46 Ų46109.6 Ų109.632%0.32254%0.543SS..  trans-69.6154.2170.2600000111.4E163 E164 L165S161-E163 WeakPolarHBondContact CB-OE2 3.33Å; S161-E163 PolarHBondContact O-N 3.28Å; S161-E164 PolarHBondContact N-OE2 3.39Å; S161-E164 PolarHBondContact O-N 2.97Å; S161-E164 WeakPolarHBondContact OG-CB 3.01Å; S161-E164 WeakPolarHBondContact OG-CG 3.27Å; S161-E164 PolarHBondContact OG-N 3.44Å; S161-E164 PolarHBondContact OG-OE2 2.89Å; S161-L165 WeakPolarHBondContact O-CG 3.05Å; S161-L165 PolarHBondContact O-N 3.17Å
162T92.4Very high90.8Very high93 Ų93112 Ų11257%0.57155%0.552SS**Hα-helixtrans-60.2-33.4177.6-50.80000111.2L165 N166T162-L165 PolarHBondContact O-N 3.33Å; T162-N166 WeakPolarHBondContact O-CB 3.35Å; T162-N166 VanDerWaalsContact O-CG 3.22Å; T162-N166 PolarHBondContact O-N 2.83Å; T162-N166 PolarHBondContact O-ND2 2.74Å
163E94Very high90.4Very high136 Ų136108.6 Ų108.664%0.63654%0.543SS*.Hα-helixtrans-66.2-50.4176-60.975.9-165.500111.3S161 L165 N166 E167S161-E163 WeakPolarHBondContact CB-OE2 3.33Å; S161-E163 PolarHBondContact O-N 3.28Å; E163-L165 VanDerWaalsContact C-N 3.26Å; E163-L165 PolarHBondContact O-N 3.49Å; E163-N166 PolarHBondContact O-N 3.27Å; E163-N166 VanDerWaalsContact O-N 3.14Å; E163-E167 WeakPolarHBondContact O-CB 3.3Å; E163-E167 PolarHBondContact O-N 3.14Å
164E93.1Very high89.9Confident64 Ų64113.4 Ų113.430%0.29956%0.557SS.*Hα-helixtrans-56.8-43.4174.4-77.8169.5130.600110.5K155 Y160 S161 N166 E167 F168K155-E164 IonicContact NZ-OE1 2.92Å; K155-E164 PolarHBondContact NZ-OE1 3.16Å; K155-E164 IonicContact NZ-OE2 3.43Å; Y160-E164 HydrophobicContact CD1-CB 4.43Å; S161-E164 PolarHBondContact N-OE2 3.39Å; S161-E164 PolarHBondContact O-N 2.97Å; S161-E164 WeakPolarHBondContact OG-CB 3.01Å; S161-E164 WeakPolarHBondContact OG-CG 3.27Å; S161-E164 PolarHBondContact OG-N 3.44Å; S161-E164 PolarHBondContact OG-OE2 2.89Å; E164-N166 VanDerWaalsContact C-N 3.33Å; E164-N166 PolarHBondContact O-N 2.94Å; E164-E167 PolarHBondContact O-N 3.23Å; E164-F168 WeakPolarHBondContact O-CD2 3.12Å; E164-F168 PolarHBondContact O-N 3.05Å
165L89.4Confident89.8Confident72 Ų72113.6 Ų113.638%0.37756%0.558SS.*Hα-helixtrans-61.3-38.3177.8-71175.3000113L157 Y160 S161 T162 E163L157-L165 HydrophobicContact CD1-CD2 4.12Å; Y160-L165 HydrophobicContact CG-CD2 4.26Å; S161-L165 WeakPolarHBondContact O-CG 3.05Å; S161-L165 PolarHBondContact O-N 3.17Å; T162-L165 PolarHBondContact O-N 3.33Å; E163-L165 VanDerWaalsContact C-N 3.26Å; E163-L165 PolarHBondContact O-N 3.49Å
166N89.6Confident89.3Confident112 Ų112116.7 Ų116.760%0.59958%0.575SS**Hα-helixtrans-77.9-30.7178.1-73.2-27.4000112.9T162 E163 E164 F168T162-N166 WeakPolarHBondContact O-CB 3.35Å; T162-N166 VanDerWaalsContact O-CG 3.22Å; T162-N166 PolarHBondContact O-N 2.83Å; T162-N166 PolarHBondContact O-ND2 2.74Å; E163-N166 PolarHBondContact O-N 3.27Å; E163-N166 VanDerWaalsContact O-N 3.14Å; E164-N166 VanDerWaalsContact C-N 3.33Å; E164-N166 PolarHBondContact O-N 2.94Å; N166-F168 VanDerWaalsContact C-N 3.29Å
167E92.9Very high88.7Confident165 Ų165115.2 Ų115.277%0.77158%0.578SS**Hα-helixtrans-72.5-23177-171.2171.7-16100112.2E163 E164E163-E167 WeakPolarHBondContact O-CB 3.3Å; E163-E167 PolarHBondContact O-N 3.14Å; E164-E167 PolarHBondContact O-N 3.23Å
168F89.7Confident88.3Confident111 Ų111114 Ų11449%0.48756%0.564SS.*SBendtrans-55.7124.5173.3-85.4-74.8000110.5Y160 E164 N166 K170Y160-F168 AromaticContact CD1-CE2 3.95Å; Y160-F168 HydrophobicContact CD1-CE2 3.95Å; Y160-F168 HydrophobicContact CD1-CZ 4.42Å; Y160-F168 AromaticContact CE1-CE2 3.93Å; Y160-F168 HydrophobicContact CE1-CE2 3.93Å; Y160-F168 AromaticContact CE1-CZ 3.93Å; Y160-F168 HydrophobicContact CE1-CZ 3.93Å; E164-F168 WeakPolarHBondContact O-CD2 3.12Å; E164-F168 PolarHBondContact O-N 3.05Å; N166-F168 VanDerWaalsContact C-N 3.29Å; F168-K170 PolarHBondContact O-N 3.01Å
169P90.9Very high87.6Confident116 Ų116111.5 Ų111.575%0.75355%0.553SS**  trans-64114-177.625.6-33.6000109.3L171P169-L171 PolarHBondContact O-N 3.48Å
170K85Confident87Confident144 Ų144114 Ų11463%0.62657%0.571SS**  trans-70129.8170.8-63.2-177.7-174.6173.70108F168 F172F168-K170 PolarHBondContact O-N 3.01Å; K170-F172 PolarHBondContact O-N 3.39Å
171L83.7Confident86.4Confident168 Ų168113.5 Ų113.588%0.8858%0.582SS**SBendtrans-65.6-31179.4-69.7174.2000111.9P169P169-L171 PolarHBondContact O-N 3.48Å
172F86.6Confident85.7Confident116 Ų116117.4 Ų117.451%0.50961%0.607SS.*  trans-166.6148.1178.556.2-81.8000109K170 W174K170-F172 PolarHBondContact O-N 3.39Å; F172-W174 HydrophobicContact CD2-CD2 4.15Å; F172-W174 HydrophobicContact CD2-CE3 4.23Å; F172-W174 HydrophobicContact CD2-CZ3 4.46Å; F172-W174 AromaticContact CE2-CD2 3.5Å; F172-W174 HydrophobicContact CE2-CD2 3.5Å; F172-W174 VanDerWaalsContact CE2-CD2 3.5Å; F172-W174 AromaticContact CE2-CE2 3.29Å; F172-W174 AromaticContact CE2-CE3 3.62Å; F172-W174 HydrophobicContact CE2-CE3 3.62Å; F172-W174 HydrophobicContact CE2-CG 4.24Å; F172-W174 AromaticContact CE2-CH2 3.48Å; F172-W174 HydrophobicContact CE2-CH2 3.48Å; F172-W174 VanDerWaalsContact CE2-CH2 3.48Å; F172-W174 AromaticContact CE2-CZ2 3.33Å; F172-W174 HydrophobicContact CE2-CZ2 3.33Å; F172-W174 AromaticContact CE2-CZ3 3.58Å; F172-W174 HydrophobicContact CE2-CZ3 3.58Å; F172-W174 AromaticContact CE2-NE1 3.82Å; F172-W174 HydrophobicContact CZ-CD2 4.49Å; F172-W174 AromaticContact CZ-CE2 3.88Å; F172-W174 AromaticContact CZ-CH2 3.77Å; F172-W174 HydrophobicContact CZ-CH2 3.77Å; F172-W174 AromaticContact CZ-CZ2 3.53Å; F172-W174 HydrophobicContact CZ-CZ2 3.53Å; F172-W174 HydrophobicContact CZ-CZ3 4.31Å
173D83.6Confident84.9Confident128 Ų128115.4 Ų115.468%0.68459%0.592SS**PPolyproline II helixtrans-90129.9166.6-64.9-54.2000108.2
174W82.7Confident84.2Confident142 Ų142112.4 Ų112.454%0.53859%0.586SS.*PPolyproline II helixtrans-65.4132.6174.3-67.9105000109.1F172 Y178F172-W174 HydrophobicContact CD2-CD2 4.15Å; F172-W174 HydrophobicContact CD2-CE3 4.23Å; F172-W174 HydrophobicContact CD2-CZ3 4.46Å; F172-W174 AromaticContact CE2-CD2 3.5Å; F172-W174 HydrophobicContact CE2-CD2 3.5Å; F172-W174 VanDerWaalsContact CE2-CD2 3.5Å; F172-W174 AromaticContact CE2-CE2 3.29Å; F172-W174 AromaticContact CE2-CE3 3.62Å; F172-W174 HydrophobicContact CE2-CE3 3.62Å; F172-W174 HydrophobicContact CE2-CG 4.24Å; F172-W174 AromaticContact CE2-CH2 3.48Å; F172-W174 HydrophobicContact CE2-CH2 3.48Å; F172-W174 VanDerWaalsContact CE2-CH2 3.48Å; F172-W174 AromaticContact CE2-CZ2 3.33Å; F172-W174 HydrophobicContact CE2-CZ2 3.33Å; F172-W174 AromaticContact CE2-CZ3 3.58Å; F172-W174 HydrophobicContact CE2-CZ3 3.58Å; F172-W174 AromaticContact CE2-NE1 3.82Å; F172-W174 HydrophobicContact CZ-CD2 4.49Å; F172-W174 AromaticContact CZ-CE2 3.88Å; F172-W174 AromaticContact CZ-CH2 3.77Å; F172-W174 HydrophobicContact CZ-CH2 3.77Å; F172-W174 AromaticContact CZ-CZ2 3.53Å; F172-W174 HydrophobicContact CZ-CZ2 3.53Å; F172-W174 HydrophobicContact CZ-CZ3 4.31Å; W174-Y178 HydrophobicContact CB-CD1 4.49Å; W174-Y178 AromaticContact CD2-CD1 3.46Å; W174-Y178 HydrophobicContact CD2-CD1 3.46Å; W174-Y178 VanDerWaalsContact CD2-CD1 3.46Å; W174-Y178 AromaticContact CD2-CE1 3.75Å; W174-Y178 HydrophobicContact CD2-CE1 3.75Å; W174-Y178 AromaticContact CD2-CG 3.98Å; W174-Y178 HydrophobicContact CD2-CG 3.98Å; W174-Y178 AromaticContact CE2-CE1 3.97Å; W174-Y178 AromaticContact CE3-CD1 3.08Å; W174-Y178 HydrophobicContact CE3-CD1 3.08Å; W174-Y178 AromaticContact CE3-CD2 3.58Å; W174-Y178 HydrophobicContact CE3-CD2 3.58Å; W174-Y178 AromaticContact CE3-CE1 3.31Å; W174-Y178 HydrophobicContact CE3-CE1 3.31Å; W174-Y178 AromaticContact CE3-CE2 3.8Å; W174-Y178 HydrophobicContact CE3-CE2 3.8Å; W174-Y178 AromaticContact CE3-CG 3.21Å; W174-Y178 HydrophobicContact CE3-CG 3.21Å; W174-Y178 AromaticContact CE3-CZ 3.66Å; W174-Y178 HydrophobicContact CG-CD1 4.13Å; W174-Y178 HydrophobicContact CH2-CD1 4.07Å; W174-Y178 AromaticContact CH2-CE1 3.35Å; W174-Y178 HydrophobicContact CH2-CE1 3.35Å; W174-Y178 HydrophobicContact CH2-CE2 4.01Å; W174-Y178 AromaticContact CH2-CZ 3.3Å; W174-Y178 WeakPolarHBondContact CH2-OH 3.34Å; W174-Y178 HydrophobicContact CZ2-CD1 4.37Å; W174-Y178 AromaticContact CZ2-CE1 3.78Å; W174-Y178 HydrophobicContact CZ2-CE1 3.78Å; W174-Y178 AromaticContact CZ3-CD1 3.46Å; W174-Y178 HydrophobicContact CZ3-CD1 3.46Å; W174-Y178 VanDerWaalsContact CZ3-CD1 3.46Å; W174-Y178 AromaticContact CZ3-CD2 3.56Å; W174-Y178 HydrophobicContact CZ3-CD2 3.56Å; W174-Y178 AromaticContact CZ3-CE1 3.13Å; W174-Y178 HydrophobicContact CZ3-CE1 3.13Å; W174-Y178 AromaticContact CZ3-CE2 3.26Å; W174-Y178 HydrophobicContact CZ3-CE2 3.26Å; W174-Y178 AromaticContact CZ3-CG 3.65Å; W174-Y178 HydrophobicContact CZ3-CG 3.65Å; W174-Y178 AromaticContact CZ3-CZ 3.01Å
175P86.7Confident83.7Confident86 Ų86114.2 Ų114.256%0.55860%0.603SS**PPolyproline II helixtrans-60.7149.1170.223.5-28.3000109D177 Y178P175-D177 PolarHBondContact O-N 3.37Å; P175-Y178 WeakPolarHBondContact O-CB 3.41Å; P175-Y178 PolarHBondContact O-N 3.18Å
176E80.3Confident83.3Confident172 Ų172117.2 Ų117.280%0.80462%0.617SS**THydrogen-bonded Turntrans-59.7-13.1-174.5-62.7-175.9177.900114.1K191E176-K191 PolarHBondContact O-NZ 3.11Å
177D81Confident83Confident118 Ų118113.7 Ų113.763%0.63160%0.604SS**THydrogen-bonded Turntrans-101.3-0.8179.7-51.5-36.7000113.3P175 H179 K191P175-D177 PolarHBondContact O-N 3.37Å; D177-H179 PolarHBondContact O-CD2 2.88Å; D177-H179 PolarHBondContact O-N 3.41Å; D177-K191 IonicContact OD1-NZ 3.42Å; D177-K191 PolarHBondContact OD1-NZ 2.87Å
178Y81Confident82.3Confident110 Ų110111 Ų11143%0.43159%0.592SS.*  trans-75.2116.3177.2-176-95000110.7W174 P175 V180W174-Y178 HydrophobicContact CB-CD1 4.49Å; W174-Y178 AromaticContact CD2-CD1 3.46Å; W174-Y178 HydrophobicContact CD2-CD1 3.46Å; W174-Y178 VanDerWaalsContact CD2-CD1 3.46Å; W174-Y178 AromaticContact CD2-CE1 3.75Å; W174-Y178 HydrophobicContact CD2-CE1 3.75Å; W174-Y178 AromaticContact CD2-CG 3.98Å; W174-Y178 HydrophobicContact CD2-CG 3.98Å; W174-Y178 AromaticContact CE2-CE1 3.97Å; W174-Y178 AromaticContact CE3-CD1 3.08Å; W174-Y178 HydrophobicContact CE3-CD1 3.08Å; W174-Y178 AromaticContact CE3-CD2 3.58Å; W174-Y178 HydrophobicContact CE3-CD2 3.58Å; W174-Y178 AromaticContact CE3-CE1 3.31Å; W174-Y178 HydrophobicContact CE3-CE1 3.31Å; W174-Y178 AromaticContact CE3-CE2 3.8Å; W174-Y178 HydrophobicContact CE3-CE2 3.8Å; W174-Y178 AromaticContact CE3-CG 3.21Å; W174-Y178 HydrophobicContact CE3-CG 3.21Å; W174-Y178 AromaticContact CE3-CZ 3.66Å; W174-Y178 HydrophobicContact CG-CD1 4.13Å; W174-Y178 HydrophobicContact CH2-CD1 4.07Å; W174-Y178 AromaticContact CH2-CE1 3.35Å; W174-Y178 HydrophobicContact CH2-CE1 3.35Å; W174-Y178 HydrophobicContact CH2-CE2 4.01Å; W174-Y178 AromaticContact CH2-CZ 3.3Å; W174-Y178 WeakPolarHBondContact CH2-OH 3.34Å; W174-Y178 HydrophobicContact CZ2-CD1 4.37Å; W174-Y178 AromaticContact CZ2-CE1 3.78Å; W174-Y178 HydrophobicContact CZ2-CE1 3.78Å; W174-Y178 AromaticContact CZ3-CD1 3.46Å; W174-Y178 HydrophobicContact CZ3-CD1 3.46Å; W174-Y178 VanDerWaalsContact CZ3-CD1 3.46Å; W174-Y178 AromaticContact CZ3-CD2 3.56Å; W174-Y178 HydrophobicContact CZ3-CD2 3.56Å; W174-Y178 AromaticContact CZ3-CE1 3.13Å; W174-Y178 HydrophobicContact CZ3-CE1 3.13Å; W174-Y178 AromaticContact CZ3-CE2 3.26Å; W174-Y178 HydrophobicContact CZ3-CE2 3.26Å; W174-Y178 AromaticContact CZ3-CG 3.65Å; W174-Y178 HydrophobicContact CZ3-CG 3.65Å; W174-Y178 AromaticContact CZ3-CZ 3.01Å; P175-Y178 WeakPolarHBondContact O-CB 3.41Å; P175-Y178 PolarHBondContact O-N 3.18Å; Y178-V180 HydrophobicContact CE1-CG2 4.04Å
179H77.5Confident81.9Confident80 Ų80111.8 Ų111.837%0.3760%0.595SS.*  trans-123.6127.9174.4-56.1-69.4000109.5D177 A181 L183D177-H179 PolarHBondContact O-CD2 2.88Å; D177-H179 PolarHBondContact O-N 3.41Å; H179-A181 WeakPolarHBondContact CB-O 3.48Å; H179-A181 PolarHBondContact O-N 2.89Å; H179-L183 VanDerWaalsContact NE2-CD1 3.3Å; H179-L183 WeakPolarHBondContact NE2-CD1 3.43Å
180V80.3Confident81.2Confident141 Ų141111.3 Ų111.386%0.85559%0.586SS**SBendtrans-60.4-28.5177.6-177.50000111.2Y178Y178-V180 HydrophobicContact CE1-CG2 4.04Å
181A78.9Confident80.7Confident64 Ų64109.7 Ų109.753%0.52958%0.579SS.*SBendtrans-130.7148173.400000109.6H179 L183H179-A181 WeakPolarHBondContact CB-O 3.48Å; H179-A181 PolarHBondContact O-N 2.89Å; A181-L183 PolarHBondContact O-N 2.89Å
182P79.8Confident80.5Confident128 Ų128106 Ų10683%0.83156%0.564SS**PPolyproline II helixtrans-56.5131.8176.724-33.1000109.8S184P182-S184 PolarHBondContact O-N 3.46Å
183L77Confident79.8Confident50 Ų50103.4 Ų103.426%0.26257%0.57SS.*PPolyproline II helixtrans-58.5135.3177.3-72.8175.9000109.7H179 A181 A187 M188H179-L183 VanDerWaalsContact NE2-CD1 3.3Å; H179-L183 WeakPolarHBondContact NE2-CD1 3.43Å; A181-L183 PolarHBondContact O-N 2.89Å; L183-A187 HydrophobicContact CB-CB 4.42Å; L183-A187 HydrophobicContact CD2-CB 4.11Å; L183-M188 HydrophobicContact CB-CB 4.39Å; L183-M188 HydrophobicContact CB-CE 4.32Å; L183-M188 HydrophobicContact CD1-CB 4.47Å
184S79.1Confident79Confident73 Ų73103.5 Ų103.551%0.5157%0.566SS.*PPolyproline II helixtrans-53.7140.5164.6171.50000108.8P182 M186 A187 M188P182-S184 PolarHBondContact O-N 3.46Å; S184-M186 PolarHBondContact O-N 3.35Å; S184-A187 WeakPolarHBondContact O-CB 3.44Å; S184-A187 PolarHBondContact O-N 3.22Å; S184-M188 PolarHBondContact O-N 2.84Å; S184-M188 VanDerWaalsContact O-N 3.1Å
185P81.5Confident77.7Confident102 Ų102101.1 Ų101.166%0.66257%0.571SS**Hα-helixtrans-50.5-32179.5-28.334.3000113.5K189P185-K189 WeakPolarHBondContact O-CG 3.3Å; P185-K189 PolarHBondContact O-N 3.18Å; P185-K189 VanDerWaalsContact O-N 3.13Å
186M81.8Confident76.2Confident136 Ų136109.7 Ų109.767%0.6760%0.599SS**Hα-helixtrans-68.3-41.8176.3-163.5175.495.100112.8S184 M188 K189 L190S184-M186 PolarHBondContact O-N 3.35Å; M186-M188 VanDerWaalsContact C-N 3.34Å; M186-K189 PolarHBondContact O-N 3.39Å; M186-L190 WeakPolarHBondContact O-CG 3.15Å; M186-L190 PolarHBondContact O-N 3.19Å; M186-L190 VanDerWaalsContact O-N 3.11Å
187A82.8Confident76Confident38 Ų38106.6 Ų106.631%0.31459%0.589SS.*Hα-helixtrans-67.5-36.7177.500000111.6L183 S184 L190 K191L183-A187 HydrophobicContact CB-CB 4.42Å; L183-A187 HydrophobicContact CD2-CB 4.11Å; S184-A187 WeakPolarHBondContact O-CB 3.44Å; S184-A187 PolarHBondContact O-N 3.22Å; A187-L190 PolarHBondContact O-N 3.25Å; A187-K191 PolarHBondContact O-N 3.29Å
188M79.3Confident75.7Confident109 Ų109106 Ų10654%0.53759%0.587SS.*Hα-helixtrans-63-44.2174.5-164.2175.5-80.200111.3L183 S184 M186 L190 K191 T192L183-M188 HydrophobicContact CB-CB 4.39Å; L183-M188 HydrophobicContact CB-CE 4.32Å; L183-M188 HydrophobicContact CD1-CB 4.47Å; S184-M188 PolarHBondContact O-N 2.84Å; S184-M188 VanDerWaalsContact O-N 3.1Å; M186-M188 VanDerWaalsContact C-N 3.34Å; M188-L190 PolarHBondContact O-N 3.21Å; M188-K191 PolarHBondContact O-N 3.29Å; M188-T192 PolarHBondContact O-N 2.98Å; M188-T192 PolarHBondContact O-OG1 3.13Å
189K79.7Confident75.4Confident126 Ų126105.8 Ų105.855%0.54860%0.596SS.*Hα-helixtrans-60.9-40.6175.3-76.6-178.4178.5-172.70113.8P185 M186 K191 T192 G193 E194P185-K189 WeakPolarHBondContact O-CG 3.3Å; P185-K189 PolarHBondContact O-N 3.18Å; P185-K189 VanDerWaalsContact O-N 3.13Å; M186-K189 PolarHBondContact O-N 3.39Å; K189-K191 VanDerWaalsContact C-N 3.33Å; K189-T192 PolarHBondContact O-N 2.92Å; K189-G193 PolarHBondContact O-N 3.12Å; K189-E194 PolarHBondContact O-N 3.4Å
190L77.7Confident75.3Confident106 Ų106107.3 Ų107.356%0.55561%0.609SS**Hα-helixtrans-63.4-38.6176.9-72.2169.5000111.7M186 A187 M188 G193M186-L190 WeakPolarHBondContact O-CG 3.15Å; M186-L190 PolarHBondContact O-N 3.19Å; M186-L190 VanDerWaalsContact O-N 3.11Å; A187-L190 PolarHBondContact O-N 3.25Å; M188-L190 PolarHBondContact O-N 3.21Å; L190-G193 PolarHBondContact O-N 3.38Å
191K72.9Confident75Confident111 Ų111105.2 Ų105.248%0.48359%0.593SS.*Hα-helixtrans-65.8-40.6176.7-168.2-178177.1-174.10111.9E176 D177 A187 M188 K189 G193E176-K191 PolarHBondContact O-NZ 3.11Å; D177-K191 IonicContact OD1-NZ 3.42Å; D177-K191 PolarHBondContact OD1-NZ 2.87Å; A187-K191 PolarHBondContact O-N 3.29Å; M188-K191 PolarHBondContact O-N 3.29Å; K189-K191 VanDerWaalsContact C-N 3.33Å; K191-G193 PolarHBondContact O-N 3.31Å
192T79.7Confident74.7Confident91 Ų91107.9 Ų107.956%0.55860%0.598SS**THydrogen-bonded Turntrans-70.5-9.9178.5-38.50000112.9M188 K189 E194M188-T192 PolarHBondContact O-N 2.98Å; M188-T192 PolarHBondContact O-OG1 3.13Å; K189-T192 PolarHBondContact O-N 2.92Å; T192-E194 HydrophobicContact CG2-CG 3.92Å; T192-E194 PolarHBondContact O-N 3.1Å
193G71.9Confident74.4Confident61 Ų61106.5 Ų106.563%0.62958%0.581SS**THydrogen-bonded Turntrans72.113.9-173.500000113.3K189 L190 K191 S195K189-G193 PolarHBondContact O-N 3.12Å; L190-G193 PolarHBondContact O-N 3.38Å; K191-G193 PolarHBondContact O-N 3.31Å; G193-S195 PolarHBondContact O-N 3.1Å; G193-S195 VanDerWaalsContact O-N 3.12Å
194E68.3Low74.2Confident130 Ų130110.8 Ų110.861%0.60761%0.606SS**  trans-83.527.9179.2-68.4-172159.800112.8K189 T192 K196K189-E194 PolarHBondContact O-N 3.4Å; T192-E194 HydrophobicContact CG2-CG 3.92Å; T192-E194 PolarHBondContact O-N 3.1Å; E194-K196 VanDerWaalsContact C-N 3.28Å; E194-K196 PolarHBondContact O-N 3.02Å
195S54.9Low73.8Confident92 Ų92114 Ų11464%0.64361%0.614SS**  trans-74.481.7172.9176.70000109.9G193G193-S195 PolarHBondContact O-N 3.1Å; G193-S195 VanDerWaalsContact O-N 3.12Å
196K54.9Low73.1Confident266 Ų266115.1 Ų115.1100%1.15761%0.609SS**  trans-820149.9-72.6-173.5180-179.80109.3E194E194-K196 VanDerWaalsContact C-N 3.28Å; E194-K196 PolarHBondContact O-N 3.02Å

Retrieved 196 of 196 residues in 65.6 ms (Link to these results)

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