A0A060X4L5_ONCMY Loading...

Cytochrome b5 domain-containing protein 1

Radial spoke stalk protein that binds heme under oxidizing conditions. Required for the coordinated beating of multiple cilia maybe by functioning in a redox signaling pathway.

AlphaFold DB , UniProt , Accession A0A060X4L5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110531705, Length 215 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
1M40Very low80Confident243 Ų24394.6 Ų94.6100%1.19747%0.47SS*.  01290-82.5162157.900106.7
2R51.3Low81.3Confident236 Ų23686.9 Ų86.989%0.89143%0.432SS*.PPolyproline II helixtrans-66.6137.2168.6-71-178.5-176.81750.7107
3P62.4Low82.3Confident109 Ų10983.8 Ų83.871%0.70842%0.424SS*.PPolyproline II helixtrans-57.1141.9175.822.7-30.7000109.7K5P3-K5 PolarHBondContact O-N 2.94Å
4T75.6Confident83.2Confident77 Ų7786.6 Ų86.647%0.47244%0.439SS..PPolyproline II helixtrans-68.9117178.9-60.90000108.6L117T4-L117 HydrophobicContact CG2-CB 4.4Å; T4-L117 HydrophobicContact CG2-CD1 3.45Å; T4-L117 VanDerWaalsContact CG2-CD1 3.45Å; T4-L117 HydrophobicContact CG2-CG 3.57Å
5K89.3Confident84Confident119 Ų11983.5 Ų83.552%0.51742%0.422SS..PPolyproline II helixtrans-82.4130.3-179.4-169.6169.9178.2-177.50110.4P3 F7 G116 L117P3-K5 PolarHBondContact O-N 2.94Å; K5-F7 HydrophobicContact CB-CE2 4.16Å; K5-F7 HydrophobicContact CB-CZ 4.44Å; K5-F7 HydrophobicContact CD-CE1 4.09Å; K5-F7 HydrophobicContact CD-CE2 4.19Å; K5-F7 HydrophobicContact CD-CZ 3.64Å; K5-F7 HydrophobicContact CG-CE1 4.43Å; K5-F7 HydrophobicContact CG-CE2 3.98Å; K5-F7 HydrophobicContact CG-CZ 3.92Å; K5-G116 WeakPolarHBondContact O-CA 3.46Å; K5-L117 PolarHBondContact O-N 3.18Å
6Y92.8Very high84.6Confident56 Ų5684.2 Ų84.222%0.2243%0.428CS..EExtended strand (participates in β ladder)trans-94.2147.9171.7-67.3-88.7000110.6L117 E143 E144 R152Y6-L117 CarbonylContact C-O 3.58Å; Y6-L117 WeakPolarHBondContact CA-O 3.22Å; Y6-L117 HydrophobicContact CD1-CB 3.92Å; Y6-L117 HydrophobicContact CE1-CB 3.98Å; Y6-L117 HydrophobicContact CE1-CD1 3.89Å; Y6-E143 HydrophobicContact CD1-CB 3.98Å; Y6-E143 HydrophobicContact CD1-CG 4.36Å; Y6-E143 HydrophobicContact CD2-CB 4.2Å; Y6-E143 HydrophobicContact CE1-CB 3.63Å; Y6-E143 HydrophobicContact CE1-CG 3.89Å; Y6-E143 HydrophobicContact CE2-CB 3.89Å; Y6-E143 HydrophobicContact CG-CB 4.25Å; Y6-E144 HydrophobicContact CD2-CG 4.35Å; Y6-R152 PolarHBondContact O-NH2 2.77Å
7F94Very high85.1Confident12 Ų1283.6 Ų83.65%0.05343%0.429CS..EExtended strand (participates in β ladder)trans-129.8140.8178.9-66.5-84.8000110.5K5 E11 V12 W22 V29 V115 L117 S119K5-F7 HydrophobicContact CB-CE2 4.16Å; K5-F7 HydrophobicContact CB-CZ 4.44Å; K5-F7 HydrophobicContact CD-CE1 4.09Å; K5-F7 HydrophobicContact CD-CE2 4.19Å; K5-F7 HydrophobicContact CD-CZ 3.64Å; K5-F7 HydrophobicContact CG-CE1 4.43Å; K5-F7 HydrophobicContact CG-CE2 3.98Å; K5-F7 HydrophobicContact CG-CZ 3.92Å; F7-E11 WeakPolarHBondContact CA-OE2 3.45Å; F7-V12 HydrophobicContact CB-CG2 4.14Å; F7-W22 AromaticContact CD1-CZ3 3.88Å; F7-W22 HydrophobicContact CD1-CZ3 3.88Å; F7-W22 AromaticContact CE1-CH2 3.8Å; F7-W22 HydrophobicContact CE1-CH2 3.8Å; F7-W22 AromaticContact CE1-CZ3 3.54Å; F7-W22 HydrophobicContact CE1-CZ3 3.54Å; F7-W22 HydrophobicContact CZ-CH2 4.02Å; F7-W22 AromaticContact CZ-CZ3 3.92Å; F7-W22 HydrophobicContact CZ-CZ3 3.92Å; F7-V29 HydrophobicContact CB-CG2 4.05Å; F7-V29 HydrophobicContact CD2-CB 4.25Å; F7-V29 HydrophobicContact CD2-CG2 4.1Å; F7-V29 HydrophobicContact CG-CG2 4.39Å; F7-V115 HydrophobicContact CE2-CG2 4.21Å; F7-V115 HydrophobicContact CZ-CG2 4.48Å; F7-L117 PolarHBondContact N-O 3.03Å; F7-S119 PolarHBondContact O-N 2.93Å
8T94.3Very high85.4Confident2 Ų284.6 Ų84.61%0.01244%0.435CS..  trans-78.8154.3171.377.20000110.3T10 E11 V12 T122 E139T8-T10 PolarHBondContact O-N 3.47Å; T8-T10 PolarHBondContact OG1-N 3.19Å; T8-E11 PolarHBondContact N-OE2 3.12Å; T8-E11 WeakPolarHBondContact O-CB 3.22Å; T8-E11 PolarHBondContact O-N 3.47Å; T8-E11 VanDerWaalsContact O-N 3.12Å; T8-E11 WeakPolarHBondContact OG1-CG 3.14Å; T8-E11 PolarHBondContact OG1-N 3.47Å; T8-E11 VanDerWaalsContact OG1-N 3.1Å; T8-V12 PolarHBondContact O-N 3.3Å; T8-V12 VanDerWaalsContact O-N 3.15Å; T8-T122 HydrophobicContact CG2-CG2 3.85Å; T8-E139 HydrophobicContact CG2-CG 4.02Å; T8-E139 PolarHBondContact OG1-OE2 3.46Å
9P93.8Very high85.7Confident65 Ų6583.2 Ų83.242%0.42244%0.444SS..Hα-helixtrans-56.2-35.4172.3-25.135.1000112.4V12 S13 L118P9-V12 PolarHBondContact O-N 3.06Å; P9-S13 WeakPolarHBondContact O-CB 3.33Å; P9-S13 PolarHBondContact O-N 3.44Å; P9-L118 HydrophobicContact CG-CD1 4.31Å
10T93.5Very high86.1Confident72 Ų7281.9 Ų81.944%0.44244%0.436SS..Hα-helixtrans-62-45.1175.9-48.60000111.3T8 S13 L14 E139T8-T10 PolarHBondContact O-N 3.47Å; T8-T10 PolarHBondContact OG1-N 3.19Å; T10-S13 WeakPolarHBondContact O-CB 3.42Å; T10-S13 PolarHBondContact O-N 3.12Å; T10-S13 VanDerWaalsContact O-N 3.17Å; T10-S13 PolarHBondContact O-OG 2.86Å; T10-L14 PolarHBondContact O-N 2.83Å; T10-E139 WeakPolarHBondContact CB-OE2 3.48Å; T10-E139 PolarHBondContact OG1-OE2 3.17Å
11E93.2Very high86.6Confident50 Ų5078 Ų7823%0.23442%0.416CS..Hα-helixtrans-59.9-48.4176.4-73177.614100111.9F7 T8 S13 L14 H15 R152F7-E11 WeakPolarHBondContact CA-OE2 3.45Å; T8-E11 PolarHBondContact N-OE2 3.12Å; T8-E11 WeakPolarHBondContact O-CB 3.22Å; T8-E11 PolarHBondContact O-N 3.47Å; T8-E11 VanDerWaalsContact O-N 3.12Å; T8-E11 WeakPolarHBondContact OG1-CG 3.14Å; T8-E11 PolarHBondContact OG1-N 3.47Å; T8-E11 VanDerWaalsContact OG1-N 3.1Å; E11-S13 PolarHBondContact O-N 2.86Å; E11-L14 WeakPolarHBondContact O-CB 3.36Å; E11-L14 PolarHBondContact O-N 3.28Å; E11-L14 VanDerWaalsContact O-N 3.12Å; E11-H15 PolarHBondContact O-CD2 3.2Å; E11-R152 IonicContact OE1-CZ 3.74Å; E11-R152 IonicContact OE1-NH1 3.57Å; E11-R152 PolarHBondContact OE1-NH1 3.24Å; E11-R152 IonicContact OE1-NH2 3.63Å; E11-R152 PolarHBondContact OE1-NH2 2.98Å; E11-R152 IonicContact OE2-CZ 3.52Å; E11-R152 IonicContact OE2-NH1 3.66Å; E11-R152 PolarHBondContact OE2-NH1 2.58Å; E11-R152 IonicContact OE2-NH2 2.63Å; E11-R152 PolarHBondContact OE2-NH2 2.93Å
12V95Very high89.3Confident2 Ų267.8 Ų67.81%0.01236%0.364CS..Hα-helixtrans-58.4-37.6177.1-179.60000110.8F7 T8 P9 L14 H15 W22 V29 G53 L118F7-V12 HydrophobicContact CB-CG2 4.14Å; T8-V12 PolarHBondContact O-N 3.3Å; T8-V12 VanDerWaalsContact O-N 3.15Å; P9-V12 PolarHBondContact O-N 3.06Å; V12-L14 PolarHBondContact O-N 2.87Å; V12-H15 PolarHBondContact O-N 2.85Å; V12-H15 VanDerWaalsContact O-N 3.15Å; V12-W22 HydrophobicContact CG1-CB 4.26Å; V12-V29 HydrophobicContact CG1-CG1 4.47Å; V12-V29 HydrophobicContact CG2-CB 4.49Å; V12-V29 HydrophobicContact CG2-CG1 3.81Å; V12-V29 HydrophobicContact CG2-CG2 3.77Å; V12-G53 WeakPolarHBondContact O-CA 3.32Å; V12-L118 HydrophobicContact CG2-CD1 3.95Å
13S95Very high91.4Very high47 Ų4756.6 Ų56.633%0.32932%0.322SS..Hα-helixtrans-66.5-21.4-179.682.40000115P9 T10 E11 H15 N16 G53P9-S13 WeakPolarHBondContact O-CB 3.33Å; P9-S13 PolarHBondContact O-N 3.44Å; T10-S13 WeakPolarHBondContact O-CB 3.42Å; T10-S13 PolarHBondContact O-N 3.12Å; T10-S13 VanDerWaalsContact O-N 3.17Å; T10-S13 PolarHBondContact O-OG 2.86Å; E11-S13 PolarHBondContact O-N 2.86Å; S13-H15 VanDerWaalsContact C-N 3.27Å; S13-N16 PolarHBondContact O-ND2 3.2Å; S13-G53 VanDerWaalsContact CA-O 3.31Å; S13-G53 WeakPolarHBondContact CA-O 3.38Å
14L94.7Very high93Very high123 Ų12351.6 Ų51.664%0.64429%0.289SS*.Hα-helixtrans-70.7-26.7175.5-63173.9000111.8T10 E11 V12 N16T10-L14 PolarHBondContact O-N 2.83Å; E11-L14 WeakPolarHBondContact O-CB 3.36Å; E11-L14 PolarHBondContact O-N 3.28Å; E11-L14 VanDerWaalsContact O-N 3.12Å; V12-L14 PolarHBondContact O-N 2.87Å; L14-N16 VanDerWaalsContact C-N 3.34Å; L14-N16 PolarHBondContact O-N 3.15Å; L14-N16 VanDerWaalsContact O-N 3.16Å
15H94.4Very high93.9Very high39 Ų3948.3 Ų48.318%0.18127%0.268CS..  trans-89.565.9-179.8-61-80.2000111E11 V12 S13 D20 W22E11-H15 PolarHBondContact O-CD2 3.2Å; V12-H15 PolarHBondContact O-N 2.85Å; V12-H15 VanDerWaalsContact O-N 3.15Å; S13-H15 VanDerWaalsContact C-N 3.27Å; H15-D20 CarbonylContact C-O 3.53Å; H15-D20 IonicContact CE1-OD1 3.57Å; H15-D20 IonicContact CE1-OD2 2.81Å; H15-D20 IonicContact CG-OD1 2.97Å; H15-D20 IonicContact CG-OD2 2.68Å; H15-D20 IonicContact ND1-OD1 3.81Å; H15-D20 PolarHBondContact ND1-OD1 2.78Å; H15-D20 IonicContact ND1-OD2 3.43Å; H15-D20 PolarHBondContact ND1-OD2 3.22Å; H15-W22 HydrophobicContact CB-CB 3.62Å; H15-W22 HydrophobicContact CB-CD2 3.8Å; H15-W22 HydrophobicContact CB-CE3 4.37Å; H15-W22 HydrophobicContact CB-CG 3.42Å; H15-W22 VanDerWaalsContact CB-CG 3.42Å; H15-W22 AromaticContact CD2-CD2 3.53Å; H15-W22 AromaticContact CD2-CE2 3.94Å; H15-W22 AromaticContact CD2-CE3 3.37Å; H15-W22 AromaticContact CD2-CZ3 3.66Å; H15-W22 AromaticContact CE1-CE2 3.87Å; H15-W22 AromaticContact CE1-CH2 3.97Å; H15-W22 AromaticContact CE1-CZ2 3.74Å; H15-W22 AromaticContact CG-CD2 3.49Å; H15-W22 VanDerWaalsContact CG-CD2 3.49Å; H15-W22 AromaticContact CG-CE2 3.75Å; H15-W22 AromaticContact CG-CE3 3.86Å; H15-W22 AromaticContact CG-CG 3.71Å; H15-W22 AromaticContact ND1-CD2 3.95Å; H15-W22 AromaticContact ND1-CE2 3.69Å; H15-W22 AromaticContact ND1-NE1 3.84Å; H15-W22 AromaticContact NE2-CE3 3.83Å; H15-W22 AromaticContact NE2-CH2 3.64Å; H15-W22 AromaticContact NE2-CZ2 3.86Å; H15-W22 AromaticContact NE2-CZ3 3.62Å; H15-W22 PolarHBondContact O-N 2.96Å
16N94.9Very high94.1Very high95 Ų9545.4 Ų45.451%0.50826%0.258SS..EExtended strand (participates in β ladder)trans-11716-171.368.616.9000115.1S13 L14 D20 A52S13-N16 PolarHBondContact O-ND2 3.2Å; L14-N16 VanDerWaalsContact C-N 3.34Å; L14-N16 PolarHBondContact O-N 3.15Å; L14-N16 VanDerWaalsContact O-N 3.16Å; N16-D20 PolarHBondContact N-O 3.25Å; N16-A52 HydrophobicContact CB-CB 4.3Å
17T92.7Very high94.1Very high75 Ų7544.3 Ų44.346%0.4626%0.264SS..EExtended strand (participates in β ladder)trans-110.7164.3-174.874.10000112G19 D20 L21T17-G19 PolarHBondContact O-N 2.69Å; T17-D20 PolarHBondContact N-O 2.86Å; T17-D20 CarbonylContact O-C 3.59Å; T17-D20 PolarHBondContact O-N 3.2Å; T17-D20 VanDerWaalsContact O-N 3.16Å; T17-D20 PolarHBondContact OG1-N 2.7Å; T17-L21 WeakPolarHBondContact O-CB 3.49Å; T17-L21 PolarHBondContact O-N 3.18Å
18L89.6Confident94.1Very high101 Ų10146.7 Ų46.753%0.52928%0.275SS..THydrogen-bonded Turntrans-64.5-26.4179.6-65.8177.2000114V36 I49L18-V36 HydrophobicContact CD2-CG1 4.35Å; L18-I49 HydrophobicContact CD2-CB 4.36Å; L18-I49 HydrophobicContact CD2-CD1 3.54Å; L18-I49 HydrophobicContact CD2-CG1 3.67Å; L18-I49 HydrophobicContact CD2-CG2 3.71Å
19G91.8Very high94.2Very high58 Ų5846.6 Ų46.660%0.59827%0.274SS*.THydrogen-bonded Turntrans-92.5-4.4177.900000113.7T17 T33T17-G19 PolarHBondContact O-N 2.69Å; G19-T33 VanDerWaalsContact O-CG2 3.24Å; G19-T33 WeakPolarHBondContact O-CG2 3.29Å
20D94.3Very high94.3Very high56 Ų5644 Ų4430%0.29926%0.256SS..EExtended strand (participates in β ladder)trans-159.285.7-177.7-174.214.5000108.2H15 N16 T17 W22 T33H15-D20 CarbonylContact C-O 3.53Å; H15-D20 IonicContact CE1-OD1 3.57Å; H15-D20 IonicContact CE1-OD2 2.81Å; H15-D20 IonicContact CG-OD1 2.97Å; H15-D20 IonicContact CG-OD2 2.68Å; H15-D20 IonicContact ND1-OD1 3.81Å; H15-D20 PolarHBondContact ND1-OD1 2.78Å; H15-D20 IonicContact ND1-OD2 3.43Å; H15-D20 PolarHBondContact ND1-OD2 3.22Å; N16-D20 PolarHBondContact N-O 3.25Å; T17-D20 PolarHBondContact N-O 2.86Å; T17-D20 CarbonylContact O-C 3.59Å; T17-D20 PolarHBondContact O-N 3.2Å; T17-D20 VanDerWaalsContact O-N 3.16Å; T17-D20 PolarHBondContact OG1-N 2.7Å; D20-W22 PolarHBondContact OD1-NE1 3.21Å; D20-T33 WeakPolarHBondContact CA-OG1 3.39Å
21L95.3Very high94.5Very high0 Ų042.6 Ų42.60%025%0.246CC..EExtended strand (participates in β ladder)trans-120.2107.6-171.6-169.1149.4000110.5T17 V23 L32 T33 V36 I48 I49 A52T17-L21 WeakPolarHBondContact O-CB 3.49Å; T17-L21 PolarHBondContact O-N 3.18Å; L21-V23 HydrophobicContact CD2-CG1 4Å; L21-L32 HydrophobicContact CD2-CB 3.79Å; L21-L32 HydrophobicContact CD2-CD1 4.19Å; L21-L32 HydrophobicContact CD2-CG 4.41Å; L21-L32 PolarHBondContact O-N 3.34Å; L21-T33 PolarHBondContact N-OG1 2.71Å; L21-V36 HydrophobicContact CB-CG2 4.42Å; L21-V36 HydrophobicContact CD1-CG2 4.06Å; L21-I48 HydrophobicContact CD2-CG2 3.94Å; L21-I49 HydrophobicContact CD1-CG1 4.19Å; L21-A52 HydrophobicContact CD1-CB 3.62Å; L21-A52 HydrophobicContact CD2-CB 4.41Å; L21-A52 HydrophobicContact CG-CB 3.64Å
22W96.8Very high94.6Very high30 Ų3040.2 Ų40.211%0.11424%0.235CC..EExtended strand (participates in β ladder)trans-110.4152.9172.7-61.98.9000110.9F7 V12 H15 D20 V29 Y30 D31 G53 V115F7-W22 AromaticContact CD1-CZ3 3.88Å; F7-W22 HydrophobicContact CD1-CZ3 3.88Å; F7-W22 AromaticContact CE1-CH2 3.8Å; F7-W22 HydrophobicContact CE1-CH2 3.8Å; F7-W22 AromaticContact CE1-CZ3 3.54Å; F7-W22 HydrophobicContact CE1-CZ3 3.54Å; F7-W22 HydrophobicContact CZ-CH2 4.02Å; F7-W22 AromaticContact CZ-CZ3 3.92Å; F7-W22 HydrophobicContact CZ-CZ3 3.92Å; V12-W22 HydrophobicContact CG1-CB 4.26Å; H15-W22 HydrophobicContact CB-CB 3.62Å; H15-W22 HydrophobicContact CB-CD2 3.8Å; H15-W22 HydrophobicContact CB-CE3 4.37Å; H15-W22 HydrophobicContact CB-CG 3.42Å; H15-W22 VanDerWaalsContact CB-CG 3.42Å; H15-W22 AromaticContact CD2-CD2 3.53Å; H15-W22 AromaticContact CD2-CE2 3.94Å; H15-W22 AromaticContact CD2-CE3 3.37Å; H15-W22 AromaticContact CD2-CZ3 3.66Å; H15-W22 AromaticContact CE1-CE2 3.87Å; H15-W22 AromaticContact CE1-CH2 3.97Å; H15-W22 AromaticContact CE1-CZ2 3.74Å; H15-W22 AromaticContact CG-CD2 3.49Å; H15-W22 VanDerWaalsContact CG-CD2 3.49Å; H15-W22 AromaticContact CG-CE2 3.75Å; H15-W22 AromaticContact CG-CE3 3.86Å; H15-W22 AromaticContact CG-CG 3.71Å; H15-W22 AromaticContact ND1-CD2 3.95Å; H15-W22 AromaticContact ND1-CE2 3.69Å; H15-W22 AromaticContact ND1-NE1 3.84Å; H15-W22 AromaticContact NE2-CE3 3.83Å; H15-W22 AromaticContact NE2-CH2 3.64Å; H15-W22 AromaticContact NE2-CZ2 3.86Å; H15-W22 AromaticContact NE2-CZ3 3.62Å; H15-W22 PolarHBondContact O-N 2.96Å; D20-W22 PolarHBondContact OD1-NE1 3.21Å; W22-V29 HydrophobicContact CD2-CG1 4.39Å; W22-V29 HydrophobicContact CE3-CG1 3.66Å; W22-V29 HydrophobicContact CZ3-CG1 4.24Å; W22-Y30 CarbonylContact C-O 3.53Å; W22-Y30 VanDerWaalsContact CA-O 3.24Å; W22-Y30 WeakPolarHBondContact CA-O 3.48Å; W22-D31 HydrophobicContact CG-CB 4.47Å; W22-G53 WeakPolarHBondContact O-CA 3.46Å; W22-G53 PolarHBondContact O-N 2.96Å; W22-V115 HydrophobicContact CE3-CG2 4.3Å; W22-V115 HydrophobicContact CH2-CG2 4.34Å; W22-V115 HydrophobicContact CZ3-CG2 4.19Å
23V96.5Very high94.6Very high1 Ų141 Ų411%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-136.2150.8169.9-62.20000108.7L21 Y25 Y30 L32 I56L21-V23 HydrophobicContact CD2-CG1 4Å; V23-Y25 HydrophobicContact CG2-CD1 4.47Å; V23-Y30 PolarHBondContact N-O 2.83Å; V23-Y30 PolarHBondContact O-N 2.87Å; V23-L32 HydrophobicContact CG1-CD1 4.22Å; V23-L32 HydrophobicContact CG2-CD1 3.53Å; V23-L32 HydrophobicContact CG2-CG 4.01Å; V23-I56 HydrophobicContact CB-CD1 4.02Å; V23-I56 HydrophobicContact CB-CG1 4.31Å; V23-I56 HydrophobicContact CG1-CD1 4.4Å; V23-I56 HydrophobicContact CG2-CD1 3.8Å; V23-I56 HydrophobicContact CG2-CG1 4.43Å
24S96.3Very high94.5Very high4 Ų442 Ų423%0.02824%0.244CC..EExtended strand (participates in β ladder)trans-107.7144.616857.40000110.6K28 K54 D55 I56S24-K28 CarbonylContact C-O 3.55Å; S24-K28 WeakPolarHBondContact CA-O 3.39Å; S24-K54 PolarHBondContact N-O 3.28Å; S24-K54 VanDerWaalsContact N-O 3.16Å; S24-D55 CarbonylContact O-C 3.08Å; S24-D55 WeakPolarHBondContact O-CA 3.48Å; S24-D55 VanDerWaalsContact OG-CA 3.31Å; S24-D55 WeakPolarHBondContact OG-CA 3.24Å; S24-D55 WeakPolarHBondContact OG-CB 3.48Å; S24-I56 WeakPolarHBondContact O-CG1 3.25Å; S24-I56 PolarHBondContact O-N 2.82Å
25Y94.8Very high94.5Very high7 Ų736.1 Ų36.13%0.02721%0.214CC..EExtended strand (participates in β ladder)trans-156.7143.3167.465.3-86.6000111.4V23 G27 K28 Y30 I56 S57 F60 W107 W108V23-Y25 HydrophobicContact CG2-CD1 4.47Å; Y25-G27 PolarHBondContact O-N 3.03Å; Y25-G27 VanDerWaalsContact O-N 3.14Å; Y25-K28 PolarHBondContact N-O 3.38Å; Y25-K28 PolarHBondContact O-N 2.7Å; Y25-Y30 AromaticContact CD1-CD2 3.72Å; Y25-Y30 HydrophobicContact CD1-CD2 3.72Å; Y25-Y30 HydrophobicContact CD1-CE2 4.08Å; Y25-Y30 HydrophobicContact CD1-CG 4.35Å; Y25-Y30 AromaticContact CE1-CD1 3.99Å; Y25-Y30 HydrophobicContact CE1-CD1 3.99Å; Y25-Y30 AromaticContact CE1-CD2 3.07Å; Y25-Y30 HydrophobicContact CE1-CD2 3.07Å; Y25-Y30 HydrophobicContact CE1-CE1 4.22Å; Y25-Y30 AromaticContact CE1-CE2 3.29Å; Y25-Y30 HydrophobicContact CE1-CE2 3.29Å; Y25-Y30 AromaticContact CE1-CG 3.47Å; Y25-Y30 HydrophobicContact CE1-CG 3.47Å; Y25-Y30 VanDerWaalsContact CE1-CG 3.47Å; Y25-Y30 AromaticContact CE1-CZ 3.92Å; Y25-Y30 AromaticContact CE2-CE2 3.94Å; Y25-Y30 HydrophobicContact CE2-CE2 3.94Å; Y25-Y30 AromaticContact CZ-CD2 3.56Å; Y25-Y30 AromaticContact CZ-CE1 3.96Å; Y25-Y30 AromaticContact CZ-CE2 3.19Å; Y25-Y30 AromaticContact CZ-CZ 3.47Å; Y25-Y30 VanDerWaalsContact CZ-CZ 3.47Å; Y25-Y30 WeakPolarHBondContact OH-CE1 3.48Å; Y25-Y30 WeakPolarHBondContact OH-CE2 3.49Å; Y25-Y30 PolarHBondContact OH-OH 3.44Å; Y25-I56 HydrophobicContact CD1-CD1 4.33Å; Y25-I56 HydrophobicContact CD1-CG1 4.29Å; Y25-I56 HydrophobicContact CG-CG1 4.44Å; Y25-S57 WeakPolarHBondContact CA-OG 3.4Å; Y25-F60 HydrophobicContact CD1-CE2 4.39Å; Y25-F60 AromaticContact CD2-CD2 3.96Å; Y25-F60 HydrophobicContact CD2-CD2 3.96Å; Y25-F60 HydrophobicContact CD2-CE2 4.02Å; Y25-F60 HydrophobicContact CD2-CG 4.38Å; Y25-F60 HydrophobicContact CD2-CZ 4.49Å; Y25-F60 HydrophobicContact CG-CD2 4.1Å; Y25-F60 AromaticContact CG-CE2 3.92Å; Y25-F60 HydrophobicContact CG-CE2 3.92Å; Y25-W107 HydrophobicContact CE1-CZ3 4.02Å; Y25-W108 VanDerWaalsContact OH-CA 3.3Å; Y25-W108 WeakPolarHBondContact OH-CA 3.46Å; Y25-W108 PolarHBondContact OH-O 3.28Å
26L93.3Very high94.4Very high58 Ų5834.6 Ų34.630%0.30421%0.207SC..THydrogen-bonded Turntrans49.839.7178.3-57.2179.6000113K28 S57 F60 P62 K65L26-K28 VanDerWaalsContact C-N 3.32Å; L26-K28 PolarHBondContact O-N 2.93Å; L26-S57 PolarHBondContact N-OG 3.14Å; L26-F60 HydrophobicContact CD1-CB 3.97Å; L26-F60 HydrophobicContact CG-CB 4.29Å; L26-P62 HydrophobicContact CD2-CB 4.26Å; L26-P62 HydrophobicContact CD2-CG 4.23Å; L26-K65 HydrophobicContact CD1-CB 4.37Å; L26-K65 HydrophobicContact CD1-CG 4.33Å
27G92.3Very high94.4Very high34 Ų3434.6 Ų34.635%0.35121%0.207SC..THydrogen-bonded Turntrans78.210178.500000115.2Y25 L117 L118Y25-G27 PolarHBondContact O-N 3.03Å; Y25-G27 VanDerWaalsContact O-N 3.14Å; G27-L117 WeakPolarHBondContact O-CA 3.33Å; G27-L118 PolarHBondContact O-N 2.71Å
28K94.6Very high94.4Very high62 Ų6237.2 Ų37.227%0.2721%0.214SC..EExtended strand (participates in β ladder)trans-119.1152.2179-67.9-174.4169-146.80111.4S24 Y25 L26 Y30 E114 L117S24-K28 CarbonylContact C-O 3.55Å; S24-K28 WeakPolarHBondContact CA-O 3.39Å; Y25-K28 PolarHBondContact N-O 3.38Å; Y25-K28 PolarHBondContact O-N 2.7Å; L26-K28 VanDerWaalsContact C-N 3.32Å; L26-K28 PolarHBondContact O-N 2.93Å; K28-Y30 HydrophobicContact CB-CD2 4.04Å; K28-Y30 HydrophobicContact CB-CE2 3.45Å; K28-Y30 VanDerWaalsContact CB-CE2 3.45Å; K28-Y30 HydrophobicContact CD-CE2 3.98Å; K28-Y30 HydrophobicContact CG-CE2 4.39Å; K28-E114 WeakPolarHBondContact CE-OE1 2.98Å; K28-E114 IonicContact NZ-OE1 3.55Å; K28-E114 PolarHBondContact NZ-OE1 3.25Å; K28-E114 IonicContact NZ-OE2 3.04Å; K28-E114 PolarHBondContact NZ-OE2 2.89Å; K28-L117 HydrophobicContact CG-CD2 3.88Å
29V96.1Very high94.4Very high0 Ų034.9 Ų34.90%020%0.2CC..EExtended strand (participates in β ladder)trans-111.2132.1176.7-174.70000109.5F7 V12 W22 V115 G116 L118F7-V29 HydrophobicContact CB-CG2 4.05Å; F7-V29 HydrophobicContact CD2-CB 4.25Å; F7-V29 HydrophobicContact CD2-CG2 4.1Å; F7-V29 HydrophobicContact CG-CG2 4.39Å; V12-V29 HydrophobicContact CG1-CG1 4.47Å; V12-V29 HydrophobicContact CG2-CB 4.49Å; V12-V29 HydrophobicContact CG2-CG1 3.81Å; V12-V29 HydrophobicContact CG2-CG2 3.77Å; W22-V29 HydrophobicContact CD2-CG1 4.39Å; W22-V29 HydrophobicContact CE3-CG1 3.66Å; W22-V29 HydrophobicContact CZ3-CG1 4.24Å; V29-V115 HydrophobicContact CB-CG2 3.88Å; V29-V115 HydrophobicContact CG1-CG2 3.58Å; V29-V115 WeakPolarHBondContact O-CG2 3.39Å; V29-V115 PolarHBondContact O-N 2.88Å; V29-G116 PolarHBondContact N-O 2.96Å; V29-L118 HydrophobicContact CG2-CB 4.01Å; V29-L118 HydrophobicContact CG2-CD1 4.23Å
30Y95.8Very high94.3Very high11 Ų1140.3 Ų40.34%0.04321%0.207CC..EExtended strand (participates in β ladder)trans-124.3129.2-175.8-77-103.1000110.9W22 V23 Y25 K28 Y113 E114W22-Y30 CarbonylContact C-O 3.53Å; W22-Y30 VanDerWaalsContact CA-O 3.24Å; W22-Y30 WeakPolarHBondContact CA-O 3.48Å; V23-Y30 PolarHBondContact N-O 2.83Å; V23-Y30 PolarHBondContact O-N 2.87Å; Y25-Y30 AromaticContact CD1-CD2 3.72Å; Y25-Y30 HydrophobicContact CD1-CD2 3.72Å; Y25-Y30 HydrophobicContact CD1-CE2 4.08Å; Y25-Y30 HydrophobicContact CD1-CG 4.35Å; Y25-Y30 AromaticContact CE1-CD1 3.99Å; Y25-Y30 HydrophobicContact CE1-CD1 3.99Å; Y25-Y30 AromaticContact CE1-CD2 3.07Å; Y25-Y30 HydrophobicContact CE1-CD2 3.07Å; Y25-Y30 HydrophobicContact CE1-CE1 4.22Å; Y25-Y30 AromaticContact CE1-CE2 3.29Å; Y25-Y30 HydrophobicContact CE1-CE2 3.29Å; Y25-Y30 AromaticContact CE1-CG 3.47Å; Y25-Y30 HydrophobicContact CE1-CG 3.47Å; Y25-Y30 VanDerWaalsContact CE1-CG 3.47Å; Y25-Y30 AromaticContact CE1-CZ 3.92Å; Y25-Y30 AromaticContact CE2-CE2 3.94Å; Y25-Y30 HydrophobicContact CE2-CE2 3.94Å; Y25-Y30 AromaticContact CZ-CD2 3.56Å; Y25-Y30 AromaticContact CZ-CE1 3.96Å; Y25-Y30 AromaticContact CZ-CE2 3.19Å; Y25-Y30 AromaticContact CZ-CZ 3.47Å; Y25-Y30 VanDerWaalsContact CZ-CZ 3.47Å; Y25-Y30 WeakPolarHBondContact OH-CE1 3.48Å; Y25-Y30 WeakPolarHBondContact OH-CE2 3.49Å; Y25-Y30 PolarHBondContact OH-OH 3.44Å; K28-Y30 HydrophobicContact CB-CD2 4.04Å; K28-Y30 HydrophobicContact CB-CE2 3.45Å; K28-Y30 VanDerWaalsContact CB-CE2 3.45Å; K28-Y30 HydrophobicContact CD-CE2 3.98Å; K28-Y30 HydrophobicContact CG-CE2 4.39Å; Y30-Y113 CarbonylContact C-O 3.57Å; Y30-Y113 WeakPolarHBondContact CA-O 3.06Å; Y30-E114 HydrophobicContact CD1-CB 4.45Å; Y30-E114 HydrophobicContact CE1-CB 3.96Å; Y30-E114 PolarHBondContact OH-OE2 3.48Å
31D96.4Very high94Very high42 Ų4241.3 Ų41.323%0.22523%0.231CC..EExtended strand (participates in β ladder)trans-90.4107.6169.11798.2000109.5W22 T33 Y113 V115W22-D31 HydrophobicContact CG-CB 4.47Å; D31-T33 WeakPolarHBondContact OD1-CB 3.49Å; D31-T33 PolarHBondContact OD1-N 2.74Å; D31-T33 PolarHBondContact OD1-OG1 2.86Å; D31-Y113 PolarHBondContact N-O 3.04Å; D31-Y113 WeakPolarHBondContact O-CD1 3.24Å; D31-V115 HydrophobicContact CB-CG1 3.58Å
32L95.7Very high93.8Very high0 Ų044.4 Ų44.40%025%0.247CC..  trans-988.2-179.6-58.9-176000112.4L21 V23 P34 L35 V36 I48 W107 Y113L21-L32 HydrophobicContact CD2-CB 3.79Å; L21-L32 HydrophobicContact CD2-CD1 4.19Å; L21-L32 HydrophobicContact CD2-CG 4.41Å; L21-L32 PolarHBondContact O-N 3.34Å; V23-L32 HydrophobicContact CG1-CD1 4.22Å; V23-L32 HydrophobicContact CG2-CD1 3.53Å; V23-L32 HydrophobicContact CG2-CG 4.01Å; L32-P34 VanDerWaalsContact C-CD 3.42Å; L32-P34 VanDerWaalsContact C-N 3.32Å; L32-L35 HydrophobicContact CB-CB 4.46Å; L32-L35 HydrophobicContact CD2-CD2 4.38Å; L32-L35 WeakPolarHBondContact O-CB 3.27Å; L32-L35 PolarHBondContact O-N 3.36Å; L32-V36 WeakPolarHBondContact O-CG2 3.14Å; L32-V36 PolarHBondContact O-N 3.41Å; L32-I48 HydrophobicContact CD1-CG2 3.67Å; L32-W107 HydrophobicContact CD1-CE3 4.06Å; L32-W107 HydrophobicContact CD1-CH2 4.23Å; L32-W107 HydrophobicContact CD1-CZ3 3.84Å; L32-W107 HydrophobicContact CD2-CD2 4.34Å; L32-W107 HydrophobicContact CD2-CE3 3.6Å; L32-W107 HydrophobicContact CD2-CZ3 4.05Å; L32-Y113 HydrophobicContact CD2-CD1 4.46Å; L32-Y113 HydrophobicContact CD2-CG 4.2Å
33T95.1Very high93.4Very high19 Ų1947.5 Ų47.512%0.11727%0.269CS..Hα-helixtrans-52.8-43.1175.9-52.60000112.7G19 D20 L21 D31 L35 V36 N37G19-T33 VanDerWaalsContact O-CG2 3.24Å; G19-T33 WeakPolarHBondContact O-CG2 3.29Å; D20-T33 WeakPolarHBondContact CA-OG1 3.39Å; L21-T33 PolarHBondContact N-OG1 2.71Å; D31-T33 WeakPolarHBondContact OD1-CB 3.49Å; D31-T33 PolarHBondContact OD1-N 2.74Å; D31-T33 PolarHBondContact OD1-OG1 2.86Å; T33-L35 VanDerWaalsContact C-N 3.33Å; T33-L35 PolarHBondContact O-N 3.36Å; T33-V36 PolarHBondContact O-N 3.14Å; T33-N37 PolarHBondContact O-N 2.87Å; T33-N37 VanDerWaalsContact O-N 3.07Å; T33-N37 PolarHBondContact O-ND2 3.13Å; T33-N37 VanDerWaalsContact O-ND2 3.14Å
34P94.4Very high93.2Very high66 Ų6648.7 Ų48.743%0.42928%0.275SS..Hα-helixtrans-65-36.7177-17.130.4000112.6L32 N37 E38 Y113L32-P34 VanDerWaalsContact C-CD 3.42Å; L32-P34 VanDerWaalsContact C-N 3.32Å; P34-N37 PolarHBondContact O-N 2.91Å; P34-E38 PolarHBondContact O-N 3.23Å; P34-Y113 HydrophobicContact CB-CE1 4.16Å; P34-Y113 HydrophobicContact CG-CE1 4.42Å
35L93.3Very high93.1Very high0 Ų048.7 Ų48.70%028%0.275CS..Hα-helixtrans-65.7-42177-17474.5000111.5L32 T33 N37 E38 F39 I48 V88 W107 Y113L32-L35 HydrophobicContact CB-CB 4.46Å; L32-L35 HydrophobicContact CD2-CD2 4.38Å; L32-L35 WeakPolarHBondContact O-CB 3.27Å; L32-L35 PolarHBondContact O-N 3.36Å; T33-L35 VanDerWaalsContact C-N 3.33Å; T33-L35 PolarHBondContact O-N 3.36Å; L35-N37 VanDerWaalsContact C-N 3.28Å; L35-N37 PolarHBondContact O-N 3.24Å; L35-E38 PolarHBondContact O-N 3.22Å; L35-F39 HydrophobicContact CD1-CD2 3.87Å; L35-F39 HydrophobicContact CD1-CE2 3.81Å; L35-F39 HydrophobicContact CG-CD2 4.34Å; L35-F39 WeakPolarHBondContact O-CD2 3.48Å; L35-F39 PolarHBondContact O-N 3.23Å; L35-I48 HydrophobicContact CD2-CD1 4.23Å; L35-V88 HydrophobicContact CD1-CG1 4.07Å; L35-W107 HydrophobicContact CD1-CB 4.15Å; L35-W107 HydrophobicContact CD2-CB 3.86Å; L35-W107 HydrophobicContact CD2-CD2 4.1Å; L35-W107 HydrophobicContact CD2-CG 3.62Å; L35-Y113 HydrophobicContact CB-CE1 4.11Å
36V93.8Very high93Very high7 Ų754.1 Ų54.14%0.04230%0.299CS..Hα-helixtrans-63.7-37.2176.6174.50000111.1L18 L21 L32 T33 K40 L45L18-V36 HydrophobicContact CD2-CG1 4.35Å; L21-V36 HydrophobicContact CB-CG2 4.42Å; L21-V36 HydrophobicContact CD1-CG2 4.06Å; L32-V36 WeakPolarHBondContact O-CG2 3.14Å; L32-V36 PolarHBondContact O-N 3.41Å; T33-V36 PolarHBondContact O-N 3.14Å; V36-K40 WeakPolarHBondContact O-CA 3.43Å; V36-K40 PolarHBondContact O-N 3.18Å; V36-L45 HydrophobicContact CG1-CD1 4.29Å; V36-L45 HydrophobicContact CG2-CD2 4.3Å
37N93.4Very high93Very high96 Ų9651.7 Ų51.751%0.51329%0.286SS..Hα-helixtrans-69.1-38.1177-75.3-38.1000112.6T33 P34 L35T33-N37 PolarHBondContact O-N 2.87Å; T33-N37 VanDerWaalsContact O-N 3.07Å; T33-N37 PolarHBondContact O-ND2 3.13Å; T33-N37 VanDerWaalsContact O-ND2 3.14Å; P34-N37 PolarHBondContact O-N 2.91Å; L35-N37 VanDerWaalsContact C-N 3.28Å; L35-N37 PolarHBondContact O-N 3.24Å
38E92.1Very high93Very high129 Ų12950.1 Ų50.160%0.60327%0.27SS*.Hα-helixtrans-66.4-46.5177-175.3-179.8176.100112P34 L35 K40P34-E38 PolarHBondContact O-N 3.23Å; L35-E38 PolarHBondContact O-N 3.22Å; E38-K40 VanDerWaalsContact C-N 3.34Å; E38-K40 PolarHBondContact O-N 3.36Å
39F90Very high93Very high52 Ų5250.1 Ų50.123%0.22827%0.272CS..THydrogen-bonded Turntrans-95.925.1-176.9-69.1-90.6000113.2L35 G41 D42 L45 V88 H89L35-F39 HydrophobicContact CD1-CD2 3.87Å; L35-F39 HydrophobicContact CD1-CE2 3.81Å; L35-F39 HydrophobicContact CG-CD2 4.34Å; L35-F39 WeakPolarHBondContact O-CD2 3.48Å; L35-F39 PolarHBondContact O-N 3.23Å; F39-G41 PolarHBondContact O-N 2.78Å; F39-G41 VanDerWaalsContact O-N 3.15Å; F39-D42 HydrophobicContact CB-CB 4.25Å; F39-D42 WeakPolarHBondContact O-CB 3.37Å; F39-D42 PolarHBondContact O-N 3.26Å; F39-L45 HydrophobicContact CB-CD1 3.82Å; F39-L45 HydrophobicContact CB-CD2 4.12Å; F39-L45 HydrophobicContact CB-CG 3.89Å; F39-L45 WeakPolarHBondContact O-CD1 3.42Å; F39-V88 HydrophobicContact CB-CG2 4.39Å; F39-V88 HydrophobicContact CD1-CG1 4.19Å; F39-V88 HydrophobicContact CD2-CG1 3.85Å; F39-V88 HydrophobicContact CE1-CG1 4.08Å; F39-V88 HydrophobicContact CE2-CG1 3.73Å; F39-V88 HydrophobicContact CG-CG1 4.09Å; F39-V88 HydrophobicContact CG-CG2 4.25Å; F39-V88 HydrophobicContact CZ-CG1 3.85Å; F39-H89 AromaticContact CE2-NE2 3.88Å; F39-H89 AromaticContact CZ-NE2 3.65Å
40K90.7Very high92.8Very high173 Ų17355 Ų5575%0.75230%0.295SS*.THydrogen-bonded Turntrans-56.9121-171-171.9176.8-177.5175.40112.1V36 E38V36-K40 WeakPolarHBondContact O-CA 3.43Å; V36-K40 PolarHBondContact O-N 3.18Å; E38-K40 VanDerWaalsContact C-N 3.34Å; E38-K40 PolarHBondContact O-N 3.36Å
41G87Confident92.7Very high77 Ų7754.6 Ų54.679%0.79429%0.294SS*.THydrogen-bonded Turntrans90.1-3.4-179.200000114.6F39F39-G41 PolarHBondContact O-N 2.78Å; F39-G41 VanDerWaalsContact O-N 3.15Å
42D90.8Very high92.6Very high65 Ų6553.1 Ų53.135%0.34829%0.287SS..  trans-71.5136.5172.3-164.8-20.7000110.9F39 L44 L45F39-D42 HydrophobicContact CB-CB 4.25Å; F39-D42 WeakPolarHBondContact O-CB 3.37Å; F39-D42 PolarHBondContact O-N 3.26Å; D42-L44 PolarHBondContact O-N 3.04Å; D42-L44 WeakPolarHBondContact OD1-CG 3.5Å; D42-L44 PolarHBondContact OD1-N 3.1Å; D42-L45 PolarHBondContact O-N 2.88Å
43V90Very high92.6Very high95 Ų9553.5 Ų53.558%0.57629%0.292SS*.G310 helixtrans-62.2-27.1175.1-176.90000111.2L45 K46V43-L45 PolarHBondContact O-N 3.14Å; V43-K46 HydrophobicContact CG1-CD 4.04Å; V43-K46 WeakPolarHBondContact O-CB 3.24Å; V43-K46 WeakPolarHBondContact O-CG 3.39Å; V43-K46 PolarHBondContact O-N 3.02Å; V43-K46 VanDerWaalsContact O-N 3.14Å
44L91.9Very high92.6Very high25 Ų2558.3 Ų58.313%0.13131%0.311CS..G310 helixtrans-67.6-15.9178.6-61179.9000114.1D42 K46 P47 R86 F87 V88D42-L44 PolarHBondContact O-N 3.04Å; D42-L44 WeakPolarHBondContact OD1-CG 3.5Å; D42-L44 PolarHBondContact OD1-N 3.1Å; L44-K46 VanDerWaalsContact C-N 3.32Å; L44-P47 WeakPolarHBondContact O-CD 3.31Å; L44-R86 HydrophobicContact CD2-CB 4.16Å; L44-R86 HydrophobicContact CD2-CG 4.13Å; L44-R86 VanDerWaalsContact CD2-CZ 3.44Å; L44-R86 WeakPolarHBondContact CD2-O 3.37Å; L44-F87 WeakPolarHBondContact O-CA 3.37Å; L44-F87 WeakPolarHBondContact O-CB 3.39Å; L44-V88 HydrophobicContact CB-CG2 3.92Å; L44-V88 PolarHBondContact O-N 2.9Å
45L92.8Very high92.7Very high4 Ų458.9 Ų58.92%0.02131%0.311CS..G310 helixtrans-77.2-19.1173.4-74.4176.4000112.8V36 F39 D42 V43 I48 I49 V88V36-L45 HydrophobicContact CG1-CD1 4.29Å; V36-L45 HydrophobicContact CG2-CD2 4.3Å; F39-L45 HydrophobicContact CB-CD1 3.82Å; F39-L45 HydrophobicContact CB-CD2 4.12Å; F39-L45 HydrophobicContact CB-CG 3.89Å; F39-L45 WeakPolarHBondContact O-CD1 3.42Å; D42-L45 PolarHBondContact O-N 2.88Å; V43-L45 PolarHBondContact O-N 3.14Å; L45-I48 WeakPolarHBondContact O-CB 3.4Å; L45-I48 PolarHBondContact O-N 3.29Å; L45-I49 HydrophobicContact CB-CD1 3.65Å; L45-I49 HydrophobicContact CB-CG1 4.24Å; L45-I49 WeakPolarHBondContact O-CG1 3.46Å; L45-I49 PolarHBondContact O-N 2.95Å; L45-V88 HydrophobicContact CD2-CG2 3.61Å; L45-V88 HydrophobicContact CG-CG2 4.04Å
46K92.6Very high92.8Very high121 Ų12159 Ų5953%0.52631%0.311SS..Hα-helixtrans-53.3-48.5-173.5-70.1-178.8-179.9-178.90113.7V43 L44 I48 I49 E50V43-K46 HydrophobicContact CG1-CD 4.04Å; V43-K46 WeakPolarHBondContact O-CB 3.24Å; V43-K46 WeakPolarHBondContact O-CG 3.39Å; V43-K46 PolarHBondContact O-N 3.02Å; V43-K46 VanDerWaalsContact O-N 3.14Å; L44-K46 VanDerWaalsContact C-N 3.32Å; K46-I48 VanDerWaalsContact C-N 3.26Å; K46-I48 PolarHBondContact O-N 2.58Å; K46-I49 PolarHBondContact O-N 2.91Å; K46-E50 WeakPolarHBondContact O-CB 3.17Å; K46-E50 WeakPolarHBondContact O-CG 3.1Å; K46-E50 PolarHBondContact O-N 3.48Å
47P93.6Very high92.8Very high7 Ų760.1 Ų60.15%0.04532%0.319CS..Hα-helixtrans-63.3-33.7-179.6-22.235.3000113L44 C51 W59 F87L44-P47 WeakPolarHBondContact O-CD 3.31Å; P47-C51 PolarHBondContact O-N 2.85Å; P47-C51 PolarHBondContact O-SG 2.88Å; P47-W59 HydrophobicContact CB-CH2 4.24Å; P47-F87 HydrophobicContact CB-CB 4.19Å; P47-F87 HydrophobicContact CG-CB 4.1Å
48I93.6Very high92.8Very high2 Ų261.2 Ų61.21%0.0132%0.321CS..Hα-helixtrans-71.2-47.1178.4-61.3174000109.7L21 L32 L35 L45 K46 E50 C51 A52 F87 V88 W107L21-I48 HydrophobicContact CD2-CG2 3.94Å; L32-I48 HydrophobicContact CD1-CG2 3.67Å; L35-I48 HydrophobicContact CD2-CD1 4.23Å; L45-I48 WeakPolarHBondContact O-CB 3.4Å; L45-I48 PolarHBondContact O-N 3.29Å; K46-I48 VanDerWaalsContact C-N 3.26Å; K46-I48 PolarHBondContact O-N 2.58Å; I48-E50 VanDerWaalsContact C-N 3.33Å; I48-E50 PolarHBondContact O-N 2.98Å; I48-C51 CarbonylContact O-C 3.58Å; I48-C51 PolarHBondContact O-N 3.3Å; I48-A52 PolarHBondContact O-N 2.92Å; I48-A52 VanDerWaalsContact O-N 3.14Å; I48-F87 HydrophobicContact CD1-CB 4.24Å; I48-F87 HydrophobicContact CD1-CD2 4.42Å; I48-F87 HydrophobicContact CG1-CB 4.12Å; I48-V88 HydrophobicContact CD1-CB 4.26Å; I48-V88 HydrophobicContact CD1-CG2 4.32Å; I48-W107 HydrophobicContact CD1-CZ2 4.16Å
49I93.6Very high92.9Very high62 Ų6255.9 Ų55.932%0.31830%0.295SS..Hα-helixtrans-60.1-41.7178-64.8163.8000111.4L18 L21 L45 K46 C51 A52L18-I49 HydrophobicContact CD2-CB 4.36Å; L18-I49 HydrophobicContact CD2-CD1 3.54Å; L18-I49 HydrophobicContact CD2-CG1 3.67Å; L18-I49 HydrophobicContact CD2-CG2 3.71Å; L21-I49 HydrophobicContact CD1-CG1 4.19Å; L45-I49 HydrophobicContact CB-CD1 3.65Å; L45-I49 HydrophobicContact CB-CG1 4.24Å; L45-I49 WeakPolarHBondContact O-CG1 3.46Å; L45-I49 PolarHBondContact O-N 2.95Å; K46-I49 PolarHBondContact O-N 2.91Å; I49-C51 PolarHBondContact O-N 3.44Å; I49-A52 VanDerWaalsContact O-CB 3.23Å; I49-A52 WeakPolarHBondContact O-CB 3.48Å; I49-A52 PolarHBondContact O-N 3.28Å
50E92.8Very high93.1Very high101 Ų10153.6 Ų53.647%0.47229%0.285SS..THydrogen-bonded Turntrans-65.1-20.3177.4-74176.4-169.700113.9K46 I48 K54 R84K46-E50 WeakPolarHBondContact O-CB 3.17Å; K46-E50 WeakPolarHBondContact O-CG 3.1Å; K46-E50 PolarHBondContact O-N 3.48Å; I48-E50 VanDerWaalsContact C-N 3.33Å; I48-E50 PolarHBondContact O-N 2.98Å; E50-K54 PolarHBondContact O-NZ 3.16Å; E50-R84 IonicContact OE2-CZ 3.38Å; E50-R84 IonicContact OE2-NE 2.87Å; E50-R84 IonicContact OE2-NH2 2.78Å; E50-R84 PolarHBondContact OE2-NH2 3.3Å
51C93.5Very high93.3Very high4 Ų447.8 Ų47.83%0.02726%0.262CS..THydrogen-bonded Turntrans-106.611.8178.7-570000112.9P47 I48 I49 G53 K54 I56 W59 R84P47-C51 PolarHBondContact O-N 2.85Å; P47-C51 PolarHBondContact O-SG 2.88Å; I48-C51 CarbonylContact O-C 3.58Å; I48-C51 PolarHBondContact O-N 3.3Å; I49-C51 PolarHBondContact O-N 3.44Å; C51-G53 PolarHBondContact O-N 3.07Å; C51-K54 WeakPolarHBondContact O-CB 3.3Å; C51-K54 PolarHBondContact O-N 2.94Å; C51-K54 VanDerWaalsContact O-N 3.09Å; C51-I56 HydrophobicContact CB-CG2 3.58Å; C51-W59 HydrophobicContact CB-CH2 4.44Å; C51-W59 HydrophobicContact CB-CZ2 4.36Å; C51-W59 VanDerWaalsContact SG-CZ2 3.57Å; C51-R84 PolarHBondContact SG-NH1 2.9Å; C51-R84 VanDerWaalsContact SG-NH1 3.42Å
52A94.9Very high93.5Very high10 Ų1048.7 Ų48.78%0.08325%0.254CS..THydrogen-bonded Turntrans-54.6132.9174.200000111N16 L21 I48 I49 K54N16-A52 HydrophobicContact CB-CB 4.3Å; L21-A52 HydrophobicContact CD1-CB 3.62Å; L21-A52 HydrophobicContact CD2-CB 4.41Å; L21-A52 HydrophobicContact CG-CB 3.64Å; I48-A52 PolarHBondContact O-N 2.92Å; I48-A52 VanDerWaalsContact O-N 3.14Å; I49-A52 VanDerWaalsContact O-CB 3.23Å; I49-A52 WeakPolarHBondContact O-CB 3.48Å; I49-A52 PolarHBondContact O-N 3.28Å; A52-K54 VanDerWaalsContact C-N 3.29Å; A52-K54 PolarHBondContact O-N 3.44Å
53G94.8Very high93.6Very high9 Ų954.6 Ų54.69%0.09328%0.277CS..THydrogen-bonded Turntrans70.516.9-177.700000115.1V12 S13 W22 C51V12-G53 WeakPolarHBondContact O-CA 3.32Å; S13-G53 VanDerWaalsContact CA-O 3.31Å; S13-G53 WeakPolarHBondContact CA-O 3.38Å; W22-G53 WeakPolarHBondContact O-CA 3.46Å; W22-G53 PolarHBondContact O-N 2.96Å; C51-G53 PolarHBondContact O-N 3.07Å
54K95.3Very high93.6Very high119 Ų11954 Ų5452%0.51727%0.273SS..SBendtrans-122.1163-178-57.6-179.5-173.7165.10112.4S24 E50 C51 A52S24-K54 PolarHBondContact N-O 3.28Å; S24-K54 VanDerWaalsContact N-O 3.16Å; E50-K54 PolarHBondContact O-NZ 3.16Å; C51-K54 WeakPolarHBondContact O-CB 3.3Å; C51-K54 PolarHBondContact O-N 2.94Å; C51-K54 VanDerWaalsContact O-N 3.09Å; A52-K54 VanDerWaalsContact C-N 3.29Å; A52-K54 PolarHBondContact O-N 3.44Å
55D95.4Very high93.6Very high79 Ų7959.2 Ų59.242%0.42230%0.295SS..BIsolated β-bridgetrans-80.2119.2169.1-178.826.8000111.2S24 S57S24-D55 CarbonylContact O-C 3.08Å; S24-D55 WeakPolarHBondContact O-CA 3.48Å; S24-D55 VanDerWaalsContact OG-CA 3.31Å; S24-D55 WeakPolarHBondContact OG-CA 3.24Å; S24-D55 WeakPolarHBondContact OG-CB 3.48Å; D55-S57 VanDerWaalsContact OD1-CB 3.25Å; D55-S57 WeakPolarHBondContact OD1-CB 3.46Å; D55-S57 PolarHBondContact OD1-N 3.27Å; D55-S57 PolarHBondContact OD1-OG 3.04Å; D55-S57 PolarHBondContact OD2-OG 3.43Å
56I95.3Very high93.6Very high3 Ų360 Ų602%0.01530%0.299CS..  trans-106.617.5177.764.5173.9000112V23 S24 Y25 C51 H58 W59 F60 W107V23-I56 HydrophobicContact CB-CD1 4.02Å; V23-I56 HydrophobicContact CB-CG1 4.31Å; V23-I56 HydrophobicContact CG1-CD1 4.4Å; V23-I56 HydrophobicContact CG2-CD1 3.8Å; V23-I56 HydrophobicContact CG2-CG1 4.43Å; S24-I56 WeakPolarHBondContact O-CG1 3.25Å; S24-I56 PolarHBondContact O-N 2.82Å; Y25-I56 HydrophobicContact CD1-CD1 4.33Å; Y25-I56 HydrophobicContact CD1-CG1 4.29Å; Y25-I56 HydrophobicContact CG-CG1 4.44Å; C51-I56 HydrophobicContact CB-CG2 3.58Å; I56-H58 PolarHBondContact O-N 2.96Å; I56-W59 HydrophobicContact CB-CD2 4.05Å; I56-W59 HydrophobicContact CB-CE3 4.26Å; I56-W59 HydrophobicContact CB-CG 4.35Å; I56-W59 HydrophobicContact CD1-CE3 4Å; I56-W59 HydrophobicContact CD1-CZ3 4.1Å; I56-W59 HydrophobicContact CG2-CH2 4.43Å; I56-W59 HydrophobicContact CG2-CZ2 4.27Å; I56-W59 WeakPolarHBondContact O-CB 3.39Å; I56-W59 PolarHBondContact O-N 3.23Å; I56-F60 HydrophobicContact CD1-CE2 3.99Å; I56-F60 HydrophobicContact CG1-CE2 4.03Å; I56-F60 WeakPolarHBondContact O-CD2 3.2Å; I56-W107 HydrophobicContact CD1-CH2 3.75Å; I56-W107 HydrophobicContact CD1-CZ3 4.46Å
57S94.4Very high93.7Very high29 Ų2954.3 Ų54.320%0.20328%0.275CS..G310 helixtrans-48.6-34.3176-680000113.5Y25 L26 D55 W59 F60Y25-S57 WeakPolarHBondContact CA-OG 3.4Å; L26-S57 PolarHBondContact N-OG 3.14Å; D55-S57 VanDerWaalsContact OD1-CB 3.25Å; D55-S57 WeakPolarHBondContact OD1-CB 3.46Å; D55-S57 PolarHBondContact OD1-N 3.27Å; D55-S57 PolarHBondContact OD1-OG 3.04Å; D55-S57 PolarHBondContact OD2-OG 3.43Å; S57-W59 PolarHBondContact O-N 2.96Å; S57-W59 VanDerWaalsContact O-N 3.1Å; S57-F60 PolarHBondContact O-N 3.28Å
58H92.9Very high93.7Very high119 Ų11956.9 Ų56.955%0.55129%0.287SS*.G310 helixtrans-63.4-11.517870.2-78.8000114.9I56 L68I56-H58 PolarHBondContact O-N 2.96Å; H58-L68 VanDerWaalsContact O-CD1 3.24Å; H58-L68 WeakPolarHBondContact O-CD1 3.36Å
59W94.4Very high93.8Very high17 Ų1760.9 Ų60.96%0.06431%0.312CS..G310 helixtrans-81.7-20.8174-65.63.7000112.5P47 C51 I56 S57 I67 L68 F87P47-W59 HydrophobicContact CB-CH2 4.24Å; C51-W59 HydrophobicContact CB-CH2 4.44Å; C51-W59 HydrophobicContact CB-CZ2 4.36Å; C51-W59 VanDerWaalsContact SG-CZ2 3.57Å; I56-W59 HydrophobicContact CB-CD2 4.05Å; I56-W59 HydrophobicContact CB-CE3 4.26Å; I56-W59 HydrophobicContact CB-CG 4.35Å; I56-W59 HydrophobicContact CD1-CE3 4Å; I56-W59 HydrophobicContact CD1-CZ3 4.1Å; I56-W59 HydrophobicContact CG2-CH2 4.43Å; I56-W59 HydrophobicContact CG2-CZ2 4.27Å; I56-W59 WeakPolarHBondContact O-CB 3.39Å; I56-W59 PolarHBondContact O-N 3.23Å; S57-W59 PolarHBondContact O-N 2.96Å; S57-W59 VanDerWaalsContact O-N 3.1Å; W59-I67 CarbonylContact O-C 3.07Å; W59-I67 WeakPolarHBondContact O-CA 3.49Å; W59-I67 WeakPolarHBondContact O-CG2 3.42Å; W59-L68 PolarHBondContact O-N 3.15Å; W59-F87 HydrophobicContact CD2-CE1 4.42Å; W59-F87 HydrophobicContact CE3-CD1 4.4Å; W59-F87 AromaticContact CE3-CE1 3.77Å; W59-F87 HydrophobicContact CE3-CE1 3.77Å; W59-F87 HydrophobicContact CE3-CE2 4.47Å; W59-F87 AromaticContact CE3-CZ 3.8Å; W59-F87 HydrophobicContact CE3-CZ 3.8Å; W59-F87 HydrophobicContact CZ3-CD1 4.07Å; W59-F87 AromaticContact CZ3-CE1 3.91Å; W59-F87 HydrophobicContact CZ3-CE1 3.91Å; W59-F87 HydrophobicContact CZ3-CE2 4.48Å; W59-F87 HydrophobicContact CZ3-CG 4.42Å; W59-F87 HydrophobicContact CZ3-CZ 4.11Å
60F95.3Very high93.8Very high5 Ų561.2 Ų61.22%0.02231%0.312CS..BIsolated β-bridgetrans-113.5147.5-167.1-59.6-83.3000111.6Y25 L26 I56 S57 P62 D66 I67 W107 W108Y25-F60 HydrophobicContact CD1-CE2 4.39Å; Y25-F60 AromaticContact CD2-CD2 3.96Å; Y25-F60 HydrophobicContact CD2-CD2 3.96Å; Y25-F60 HydrophobicContact CD2-CE2 4.02Å; Y25-F60 HydrophobicContact CD2-CG 4.38Å; Y25-F60 HydrophobicContact CD2-CZ 4.49Å; Y25-F60 HydrophobicContact CG-CD2 4.1Å; Y25-F60 AromaticContact CG-CE2 3.92Å; Y25-F60 HydrophobicContact CG-CE2 3.92Å; L26-F60 HydrophobicContact CD1-CB 3.97Å; L26-F60 HydrophobicContact CG-CB 4.29Å; I56-F60 HydrophobicContact CD1-CE2 3.99Å; I56-F60 HydrophobicContact CG1-CE2 4.03Å; I56-F60 WeakPolarHBondContact O-CD2 3.2Å; S57-F60 PolarHBondContact O-N 3.28Å; F60-P62 WeakPolarHBondContact O-CD 3.2Å; F60-D66 CarbonylContact C-O 3.42Å; F60-D66 VanDerWaalsContact CA-O 3.31Å; F60-D66 WeakPolarHBondContact CA-O 3.21Å; F60-I67 HydrophobicContact CD1-CG1 4.09Å; F60-I67 HydrophobicContact CE1-CG1 3.71Å; F60-W107 HydrophobicContact CZ-CH2 4.04Å; F60-W108 HydrophobicContact CE1-CB 3.49Å; F60-W108 VanDerWaalsContact CE1-CB 3.49Å; F60-W108 AromaticContact CE1-CD1 3.73Å; F60-W108 HydrophobicContact CE1-CD2 4.23Å; F60-W108 AromaticContact CE1-CG 3.56Å; F60-W108 HydrophobicContact CE1-CG 3.56Å; F60-W108 HydrophobicContact CZ-CB 3.71Å; F60-W108 HydrophobicContact CZ-CG 4.19Å
61D94.3Very high93.8Very high50 Ų5062.1 Ų62.127%0.26732%0.319SS..  trans-80.6121.8166.7-177.2-20.6000109K63 T64 K65 D66 L68D61-K63 PolarHBondContact O-N 3.06Å; D61-K63 VanDerWaalsContact O-N 3.12Å; D61-K63 WeakPolarHBondContact OD1-CB 3.44Å; D61-K63 PolarHBondContact OD1-N 3.33Å; D61-T64 WeakPolarHBondContact CB-OG1 3.41Å; D61-T64 PolarHBondContact O-N 2.92Å; D61-K65 WeakPolarHBondContact O-CA 3.38Å; D61-K65 PolarHBondContact O-N 3.44Å; D61-D66 PolarHBondContact N-O 3.35Å; D61-L68 HydrophobicContact CB-CD2 3.95Å
62P91.9Very high93.6Very high96 Ų9663 Ų6362%0.62332%0.324SS*.THydrogen-bonded Turntrans-57.2-27178.7-25.134.4000114.5L26 F60L26-P62 HydrophobicContact CD2-CB 4.26Å; L26-P62 HydrophobicContact CD2-CG 4.23Å; F60-P62 WeakPolarHBondContact O-CD 3.2Å
63K91.4Very high93.4Very high190 Ų19068.3 Ų68.383%0.82636%0.357SS*.THydrogen-bonded Turntrans-81.9-48.3-177.6-65.2-179-179.5177.90112.3D61D61-K63 PolarHBondContact O-N 3.06Å; D61-K63 VanDerWaalsContact O-N 3.12Å; D61-K63 WeakPolarHBondContact OD1-CB 3.44Å; D61-K63 PolarHBondContact OD1-N 3.33Å
64T91.6Very high93.1Very high82 Ų8275.6 Ų75.650%0.50339%0.393SS..THydrogen-bonded Turntrans-85.7-19.3-17668.20000112.2D61 D66D61-T64 WeakPolarHBondContact CB-OG1 3.41Å; D61-T64 PolarHBondContact O-N 2.92Å; T64-D66 PolarHBondContact O-N 3.32Å; T64-D66 PolarHBondContact OG1-N 3.02Å
65K90.6Very high92.8Very high135 Ų13572.6 Ų72.659%0.58739%0.387SS*.  trans56.426.6-170.4-53179.8-179.8-179.10112.2L26 D61L26-K65 HydrophobicContact CD1-CB 4.37Å; L26-K65 HydrophobicContact CD1-CG 4.33Å; D61-K65 WeakPolarHBondContact O-CA 3.38Å; D61-K65 PolarHBondContact O-N 3.44Å
66D93.4Very high92.5Very high20 Ų2071.4 Ų71.411%0.10739%0.393CS..SBendtrans-116.9166176.3-151.32.1000110.2F60 D61 T64 L68 W108 R109F60-D66 CarbonylContact C-O 3.42Å; F60-D66 VanDerWaalsContact CA-O 3.31Å; F60-D66 WeakPolarHBondContact CA-O 3.21Å; D61-D66 PolarHBondContact N-O 3.35Å; T64-D66 PolarHBondContact O-N 3.32Å; T64-D66 PolarHBondContact OG1-N 3.02Å; D66-L68 PolarHBondContact O-N 3.43Å; D66-W108 PolarHBondContact OD1-NE1 2.92Å; D66-R109 IonicContact OD1-NE 3.66Å; D66-R109 IonicContact OD1-NH2 3.85Å; D66-R109 IonicContact OD2-CZ 3.39Å; D66-R109 IonicContact OD2-NE 2.91Å; D66-R109 IonicContact OD2-NH2 3.32Å; D66-R109 PolarHBondContact OD2-NH2 3.19Å
67I94.2Very high92.3Very high2 Ų274.6 Ų74.61%0.0142%0.415CS..BIsolated β-bridgetrans-60.4140.4178-58.1163.3000108.9W59 F60 Y80 F87 V90 W108W59-I67 CarbonylContact O-C 3.07Å; W59-I67 WeakPolarHBondContact O-CA 3.49Å; W59-I67 WeakPolarHBondContact O-CG2 3.42Å; F60-I67 HydrophobicContact CD1-CG1 4.09Å; F60-I67 HydrophobicContact CE1-CG1 3.71Å; I67-Y80 HydrophobicContact CB-CD1 3.65Å; I67-Y80 HydrophobicContact CB-CE1 4.14Å; I67-Y80 HydrophobicContact CB-CG 4.28Å; I67-Y80 HydrophobicContact CD1-CD1 4.5Å; I67-Y80 HydrophobicContact CG2-CD1 4.07Å; I67-Y80 HydrophobicContact CG2-CG 4.37Å; I67-F87 HydrophobicContact CD1-CE1 4.48Å; I67-F87 HydrophobicContact CD1-CE2 3.65Å; I67-F87 HydrophobicContact CD1-CZ 3.39Å; I67-F87 HydrophobicContact CG1-CZ 4.02Å; I67-V90 HydrophobicContact CD1-CG2 3.7Å; I67-W108 HydrophobicContact CD1-CD2 4.08Å; I67-W108 HydrophobicContact CD1-CE3 4.07Å; I67-W108 HydrophobicContact CD1-CH2 3.45Å; I67-W108 VanDerWaalsContact CD1-CH2 3.45Å; I67-W108 HydrophobicContact CD1-CZ2 3.41Å; I67-W108 VanDerWaalsContact CD1-CZ2 3.41Å; I67-W108 HydrophobicContact CD1-CZ3 3.77Å; I67-W108 HydrophobicContact CG1-CD2 4.3Å; I67-W108 HydrophobicContact CG1-CZ2 4.13Å
68L94.9Very high92.2Very high60 Ų6078.1 Ų78.131%0.31444%0.435SS..  trans-51.5145.8173.9-71170.6000110.6H58 W59 D61 D66 Y80 Y81H58-L68 VanDerWaalsContact O-CD1 3.24Å; H58-L68 WeakPolarHBondContact O-CD1 3.36Å; W59-L68 PolarHBondContact O-N 3.15Å; D61-L68 HydrophobicContact CB-CD2 3.95Å; D66-L68 PolarHBondContact O-N 3.43Å; L68-Y80 CarbonylContact O-C 3.52Å; L68-Y80 WeakPolarHBondContact O-CA 3.3Å; L68-Y81 WeakPolarHBondContact O-CB 3.29Å; L68-Y81 PolarHBondContact O-N 3.48Å
69T94.8Very high92.1Very high86 Ų8674.4 Ų74.453%0.52842%0.418SS..EExtended strand (participates in β ladder)trans-120.4154.3179.558.40000111.2V78 K79 Y80T69-V78 HydrophobicContact CG2-CG1 4.11Å; T69-K79 CarbonylContact C-O 3.57Å; T69-K79 VanDerWaalsContact CA-O 3.24Å; T69-K79 WeakPolarHBondContact CA-O 3.39Å; T69-K79 WeakPolarHBondContact CB-O 3.33Å; T69-Y80 HydrophobicContact CG2-CD1 3.87Å; T69-Y80 HydrophobicContact CG2-CE1 4.24Å
70H93Very high92.1Very high70 Ų7076.9 Ų76.932%0.32443%0.427SS..EExtended strand (participates in β ladder)trans-138.7160.2173.473.6-63.2000109.7V78 K79 Y80 Y81H70-V78 WeakPolarHBondContact O-CA 3.24Å; H70-K79 PolarHBondContact N-O 3.04Å; H70-K79 PolarHBondContact ND1-O 2.69Å; H70-K79 PolarHBondContact O-N 3.27Å; H70-Y80 PolarHBondContact CE1-O 2.84Å; H70-Y81 HydrophobicContact CB-CD2 4.3Å
71I93.8Very high92Very high120 Ų12082.2 Ų82.262%0.61545%0.448SS*.EExtended strand (participates in β ladder)trans-84.8119.2170.7-59.3171.2000107.1P73I71-P73 WeakPolarHBondContact O-CD 3.35Å
72D90.2Very high91.9Very high23 Ų2381.6 Ų81.612%0.12345%0.446CS..  trans-68.6121.1175.9170.525.5000109.6L74 S75 G76 C77 K79D72-L74 PolarHBondContact O-N 2.98Å; D72-L74 VanDerWaalsContact O-N 3.15Å; D72-L74 PolarHBondContact OD1-N 2.82Å; D72-S75 WeakPolarHBondContact CB-OG 3.43Å; D72-S75 PolarHBondContact O-N 3.42Å; D72-S75 WeakPolarHBondContact OD2-CB 3.21Å; D72-S75 PolarHBondContact OD2-N 2.66Å; D72-S75 PolarHBondContact OD2-OG 3.14Å; D72-G76 WeakPolarHBondContact O-CA 3.36Å; D72-G76 PolarHBondContact O-N 2.83Å; D72-C77 PolarHBondContact N-O 3.16Å; D72-K79 HydrophobicContact CB-CD 3.82Å; D72-K79 HydrophobicContact CB-CG 4.27Å; D72-K79 WeakPolarHBondContact OD2-CE 3.16Å; D72-K79 IonicContact OD2-NZ 3.98Å; D72-K79 PolarHBondContact OD2-NZ 3.09Å
73P90.4Very high91.8Very high120 Ų12081.2 Ų81.278%0.77944%0.444SS*.THydrogen-bonded Turntrans-62.7-23.5-176.725.5-35.9000113.4I71I71-P73 WeakPolarHBondContact O-CD 3.35Å
74L88.1Confident91.5Very high162 Ų16278 Ų7885%0.84843%0.426SS*.THydrogen-bonded Turntrans-83.4-47.7-179-68.3176.3000112.6D72D72-L74 PolarHBondContact O-N 2.98Å; D72-L74 VanDerWaalsContact O-N 3.15Å; D72-L74 PolarHBondContact OD1-N 2.82Å
75S88.3Confident91.5Very high57 Ų5775.6 Ų75.640%0.39942%0.418SS..THydrogen-bonded Turntrans-95-16-17661.70000114.3D72 C77 K79D72-S75 WeakPolarHBondContact CB-OG 3.43Å; D72-S75 PolarHBondContact O-N 3.42Å; D72-S75 WeakPolarHBondContact OD2-CB 3.21Å; D72-S75 PolarHBondContact OD2-N 2.66Å; D72-S75 PolarHBondContact OD2-OG 3.14Å; S75-C77 PolarHBondContact O-N 3.49Å; S75-C77 PolarHBondContact OG-N 2.87Å; S75-K79 WeakPolarHBondContact OG-CE 3.35Å; S75-K79 PolarHBondContact OG-NZ 3.05Å; S75-K79 VanDerWaalsContact OG-NZ 3.12Å
76G90.3Very high91.6Very high53 Ų5372.4 Ų72.455%0.54640%0.403SS..  trans68.52.8-171.500000114.2D72D72-G76 WeakPolarHBondContact O-CA 3.36Å; D72-G76 PolarHBondContact O-N 2.83Å
77C90.1Very high91.6Very high71 Ų7171.7 Ų71.748%0.4840%0.398SS..  trans-86.1149.6-178.7-64.40000111.7D72 S75 K79D72-C77 PolarHBondContact N-O 3.16Å; S75-C77 PolarHBondContact O-N 3.49Å; S75-C77 PolarHBondContact OG-N 2.87Å; C77-K79 PolarHBondContact O-N 2.86Å
78V92.4Very high91.5Very high103 Ų10371.6 Ų71.662%0.62440%0.398SS*.EExtended strand (participates in β ladder)trans-73123.3169.5-179.10000109.2T69 H70T69-V78 HydrophobicContact CG2-CG1 4.11Å; H70-V78 WeakPolarHBondContact O-CA 3.24Å
79K91.9Very high91.5Very high41 Ų4169.5 Ų69.518%0.17839%0.387CS..EExtended strand (participates in β ladder)trans-131.5155.3179.6-62.3-173.2-172.8173.80110.9T69 H70 D72 S75 C77 P93T69-K79 CarbonylContact C-O 3.57Å; T69-K79 VanDerWaalsContact CA-O 3.24Å; T69-K79 WeakPolarHBondContact CA-O 3.39Å; T69-K79 WeakPolarHBondContact CB-O 3.33Å; H70-K79 PolarHBondContact N-O 3.04Å; H70-K79 PolarHBondContact ND1-O 2.69Å; H70-K79 PolarHBondContact O-N 3.27Å; D72-K79 HydrophobicContact CB-CD 3.82Å; D72-K79 HydrophobicContact CB-CG 4.27Å; D72-K79 WeakPolarHBondContact OD2-CE 3.16Å; D72-K79 IonicContact OD2-NZ 3.98Å; D72-K79 PolarHBondContact OD2-NZ 3.09Å; S75-K79 WeakPolarHBondContact OG-CE 3.35Å; S75-K79 PolarHBondContact OG-NZ 3.05Å; S75-K79 VanDerWaalsContact OG-NZ 3.12Å; C77-K79 PolarHBondContact O-N 2.86Å; K79-P93 HydrophobicContact CD-CB 4.29Å; K79-P93 WeakPolarHBondContact CE-O 3.37Å; K79-P93 PolarHBondContact NZ-O 3.4Å
80Y93.9Very high91.4Very high68 Ų6865.6 Ų65.627%0.26736%0.362SS..EExtended strand (participates in β ladder)trans-61.1139.9171.9-64.3-59.3000111.2I67 L68 T69 H70 T82 V90 P91I67-Y80 HydrophobicContact CB-CD1 3.65Å; I67-Y80 HydrophobicContact CB-CE1 4.14Å; I67-Y80 HydrophobicContact CB-CG 4.28Å; I67-Y80 HydrophobicContact CD1-CD1 4.5Å; I67-Y80 HydrophobicContact CG2-CD1 4.07Å; I67-Y80 HydrophobicContact CG2-CG 4.37Å; L68-Y80 CarbonylContact O-C 3.52Å; L68-Y80 WeakPolarHBondContact O-CA 3.3Å; T69-Y80 HydrophobicContact CG2-CD1 3.87Å; T69-Y80 HydrophobicContact CG2-CE1 4.24Å; H70-Y80 PolarHBondContact CE1-O 2.84Å; Y80-T82 PolarHBondContact O-N 3.26Å; Y80-V90 HydrophobicContact CD2-CG1 3.9Å; Y80-V90 HydrophobicContact CG-CG1 4.43Å; Y80-P91 HydrophobicContact CD2-CG 3.92Å; Y80-P91 HydrophobicContact CE2-CG 3.78Å
81Y93.2Very high91.3Very high117 Ų11764.5 Ų64.546%0.45936%0.362SS..  trans-89.396.5179.7-178.1-107.8000109.4L68 H70 P83L68-Y81 WeakPolarHBondContact O-CB 3.29Å; L68-Y81 PolarHBondContact O-N 3.48Å; H70-Y81 HydrophobicContact CB-CD2 4.3Å; Y81-P83 HydrophobicContact CD1-CG 4.3Å; Y81-P83 HydrophobicContact CE1-CB 4.35Å; Y81-P83 HydrophobicContact CE1-CG 3.7Å; Y81-P83 WeakPolarHBondContact O-CD 3.46Å
82T92.1Very high91.2Very high38 Ų3859.8 Ų59.823%0.23334%0.339CS..  trans-121.775-178.361.10000110.8Y80 R84 G85 F87 V90Y80-T82 PolarHBondContact O-N 3.26Å; T82-R84 VanDerWaalsContact C-N 3.27Å; T82-R84 PolarHBondContact O-N 2.94Å; T82-G85 WeakPolarHBondContact CB-O 3.31Å; T82-G85 PolarHBondContact O-N 3.45Å; T82-F87 HydrophobicContact CG2-CD1 4.2Å; T82-F87 HydrophobicContact CG2-CE1 3.72Å; T82-F87 HydrophobicContact CG2-CZ 4.48Å; T82-V90 HydrophobicContact CG2-CG1 4.17Å
83P89.2Confident91Very high87 Ų8763 Ų6357%0.56536%0.361SS*.THydrogen-bonded Turntrans-65.7-28.7-173.126.2-35.3000113.2Y81 G85Y81-P83 HydrophobicContact CD1-CG 4.3Å; Y81-P83 HydrophobicContact CE1-CB 4.35Å; Y81-P83 HydrophobicContact CE1-CG 3.7Å; Y81-P83 WeakPolarHBondContact O-CD 3.46Å; P83-G85 PolarHBondContact O-N 2.96Å
84R86.3Confident90.7Very high122 Ų12261 Ų6146%0.4635%0.349SS..THydrogen-bonded Turntrans-85.87.7176.6-60.9-171.369.7170.10.9113.6E50 C51 T82E50-R84 IonicContact OE2-CZ 3.38Å; E50-R84 IonicContact OE2-NE 2.87Å; E50-R84 IonicContact OE2-NH2 2.78Å; E50-R84 PolarHBondContact OE2-NH2 3.3Å; C51-R84 PolarHBondContact SG-NH1 2.9Å; C51-R84 VanDerWaalsContact SG-NH1 3.42Å; T82-R84 VanDerWaalsContact C-N 3.27Å; T82-R84 PolarHBondContact O-N 2.94Å
85G90.3Very high90.6Very high33 Ų3359.9 Ų59.934%0.3435%0.352SS..  trans101162.2-176.700000113.4T82 P83T82-G85 WeakPolarHBondContact CB-O 3.31Å; T82-G85 PolarHBondContact O-N 3.45Å; P83-G85 PolarHBondContact O-N 2.96Å
86R92.6Very high90.5Very high68 Ų6864 Ų6426%0.25736%0.358SS..  trans-66.8136.9179.6-169.8176.773.6101.3-5.7110.3L44 V90L44-R86 HydrophobicContact CD2-CB 4.16Å; L44-R86 HydrophobicContact CD2-CG 4.13Å; L44-R86 VanDerWaalsContact CD2-CZ 3.44Å; L44-R86 WeakPolarHBondContact CD2-O 3.37Å; R86-V90 WeakPolarHBondContact CD-O 3.37Å; R86-V90 HydrophobicContact CG-CB 3.82Å; R86-V90 HydrophobicContact CG-CG1 3.93Å; R86-V90 PolarHBondContact NH1-O 3.05Å
87F93.8Very high90.3Very high4 Ų468.9 Ų68.92%0.01838%0.378CS..  trans-119.7177.2174.955.2-95.8000112.3L44 P47 I48 W59 I67 T82 V90 W107 W108L44-F87 WeakPolarHBondContact O-CA 3.37Å; L44-F87 WeakPolarHBondContact O-CB 3.39Å; P47-F87 HydrophobicContact CB-CB 4.19Å; P47-F87 HydrophobicContact CG-CB 4.1Å; I48-F87 HydrophobicContact CD1-CB 4.24Å; I48-F87 HydrophobicContact CD1-CD2 4.42Å; I48-F87 HydrophobicContact CG1-CB 4.12Å; W59-F87 HydrophobicContact CD2-CE1 4.42Å; W59-F87 HydrophobicContact CE3-CD1 4.4Å; W59-F87 AromaticContact CE3-CE1 3.77Å; W59-F87 HydrophobicContact CE3-CE1 3.77Å; W59-F87 HydrophobicContact CE3-CE2 4.47Å; W59-F87 AromaticContact CE3-CZ 3.8Å; W59-F87 HydrophobicContact CE3-CZ 3.8Å; W59-F87 HydrophobicContact CZ3-CD1 4.07Å; W59-F87 AromaticContact CZ3-CE1 3.91Å; W59-F87 HydrophobicContact CZ3-CE1 3.91Å; W59-F87 HydrophobicContact CZ3-CE2 4.48Å; W59-F87 HydrophobicContact CZ3-CG 4.42Å; W59-F87 HydrophobicContact CZ3-CZ 4.11Å; I67-F87 HydrophobicContact CD1-CE1 4.48Å; I67-F87 HydrophobicContact CD1-CE2 3.65Å; I67-F87 HydrophobicContact CD1-CZ 3.39Å; I67-F87 HydrophobicContact CG1-CZ 4.02Å; T82-F87 HydrophobicContact CG2-CD1 4.2Å; T82-F87 HydrophobicContact CG2-CE1 3.72Å; T82-F87 HydrophobicContact CG2-CZ 4.48Å; F87-V90 HydrophobicContact CD1-CG2 4.21Å; F87-V90 HydrophobicContact CD2-CG2 3.54Å; F87-V90 HydrophobicContact CE1-CG2 4.09Å; F87-V90 HydrophobicContact CE2-CG2 3.4Å; F87-V90 HydrophobicContact CG-CG2 3.96Å; F87-V90 HydrophobicContact CZ-CG2 3.7Å; F87-V90 WeakPolarHBondContact O-CB 3.44Å; F87-V90 PolarHBondContact O-N 3.3Å; F87-V90 VanDerWaalsContact O-N 3.13Å; F87-W107 HydrophobicContact CD2-CZ2 4.14Å; F87-W107 AromaticContact CD2-NE1 3.89Å; F87-W107 AromaticContact CE2-CZ2 3.88Å; F87-W107 HydrophobicContact CE2-CZ2 3.88Å; F87-W108 HydrophobicContact CD2-CZ3 4.44Å; F87-W108 HydrophobicContact CE2-CE3 4.11Å; F87-W108 AromaticContact CE2-CZ3 3.84Å; F87-W108 HydrophobicContact CE2-CZ3 3.84Å
88V92.9Very high90.2Very high0 Ų070.1 Ų70.10%038%0.38CS..THydrogen-bonded Turntrans-52.3140.4-175.4-178.60000111.4L35 F39 L44 L45 I48 V90 W107 W108L35-V88 HydrophobicContact CD1-CG1 4.07Å; F39-V88 HydrophobicContact CB-CG2 4.39Å; F39-V88 HydrophobicContact CD1-CG1 4.19Å; F39-V88 HydrophobicContact CD2-CG1 3.85Å; F39-V88 HydrophobicContact CE1-CG1 4.08Å; F39-V88 HydrophobicContact CE2-CG1 3.73Å; F39-V88 HydrophobicContact CG-CG1 4.09Å; F39-V88 HydrophobicContact CG-CG2 4.25Å; F39-V88 HydrophobicContact CZ-CG1 3.85Å; L44-V88 HydrophobicContact CB-CG2 3.92Å; L44-V88 PolarHBondContact O-N 2.9Å; L45-V88 HydrophobicContact CD2-CG2 3.61Å; L45-V88 HydrophobicContact CG-CG2 4.04Å; I48-V88 HydrophobicContact CD1-CB 4.26Å; I48-V88 HydrophobicContact CD1-CG2 4.32Å; V88-V90 PolarHBondContact O-N 3.4Å; V88-V90 VanDerWaalsContact O-N 3.14Å; V88-W107 PolarHBondContact O-NE1 3.5Å; V88-W108 WeakPolarHBondContact O-CZ3 3.09Å
89H93.4Very high89.9Confident17 Ų1768.8 Ų68.88%0.07936%0.363CS..THydrogen-bonded Turntrans64.8-1.8-175.9-56.9152.6000116.7F39 F103 P106 W107 W108F39-H89 AromaticContact CE2-NE2 3.88Å; F39-H89 AromaticContact CZ-NE2 3.65Å; H89-F103 HydrophobicContact CB-CD2 4.33Å; H89-F103 HydrophobicContact CB-CE2 3.87Å; H89-F103 HydrophobicContact CB-CZ 4.09Å; H89-F103 AromaticContact CD2-CD1 3.81Å; H89-F103 AromaticContact CD2-CD2 3.56Å; H89-F103 AromaticContact CD2-CE2 3.91Å; H89-F103 AromaticContact CD2-CG 3.52Å; H89-F103 AromaticContact CG-CD2 3.83Å; H89-F103 AromaticContact CG-CE2 3.89Å; H89-F103 AromaticContact NE2-CD2 3.92Å; H89-F103 AromaticContact NE2-CG 3.74Å; H89-P106 HydrophobicContact CB-CB 3.91Å; H89-W107 AromaticContact ND1-CD1 3.61Å; H89-W107 PolarHBondContact ND1-N 3.13Å; H89-W108 HydrophobicContact CB-CH2 4.01Å; H89-W108 HydrophobicContact CB-CZ3 3.79Å
90V92.6Very high89.5Confident3 Ų371.1 Ų71.12%0.01838%0.381CS..PPolyproline II helixtrans-81.1125.6170.9-177.50000109.9I67 Y80 T82 R86 F87 V88 W108I67-V90 HydrophobicContact CD1-CG2 3.7Å; Y80-V90 HydrophobicContact CD2-CG1 3.9Å; Y80-V90 HydrophobicContact CG-CG1 4.43Å; T82-V90 HydrophobicContact CG2-CG1 4.17Å; R86-V90 WeakPolarHBondContact CD-O 3.37Å; R86-V90 HydrophobicContact CG-CB 3.82Å; R86-V90 HydrophobicContact CG-CG1 3.93Å; R86-V90 PolarHBondContact NH1-O 3.05Å; F87-V90 HydrophobicContact CD1-CG2 4.21Å; F87-V90 HydrophobicContact CD2-CG2 3.54Å; F87-V90 HydrophobicContact CE1-CG2 4.09Å; F87-V90 HydrophobicContact CE2-CG2 3.4Å; F87-V90 HydrophobicContact CG-CG2 3.96Å; F87-V90 HydrophobicContact CZ-CG2 3.7Å; F87-V90 WeakPolarHBondContact O-CB 3.44Å; F87-V90 PolarHBondContact O-N 3.3Å; F87-V90 VanDerWaalsContact O-N 3.13Å; V88-V90 PolarHBondContact O-N 3.4Å; V88-V90 VanDerWaalsContact O-N 3.14Å; V90-W108 HydrophobicContact CG2-CH2 4.01Å; V90-W108 HydrophobicContact CG2-CZ3 4.17Å
91P91.7Very high89Confident48 Ų4873.8 Ų73.831%0.31240%0.4SS..PPolyproline II helixtrans-63.7149.4178.426.2-35000112.1Y80 W99Y80-P91 HydrophobicContact CD2-CG 3.92Å; Y80-P91 HydrophobicContact CE2-CG 3.78Å; P91-W99 HydrophobicContact CB-CH2 3.77Å; P91-W99 HydrophobicContact CB-CZ2 3.82Å; P91-W99 HydrophobicContact CB-CZ3 4.17Å
92P91Very high88.7Confident21 Ų2174.3 Ų74.314%0.13641%0.411CS..PPolyproline II helixtrans-64.7153.5174.128-34.4000111.6C94 R96 W99P92-C94 WeakPolarHBondContact CG-O 3.38Å; P92-C94 PolarHBondContact O-N 2.95Å; P92-R96 HydrophobicContact CB-CG 4.11Å; P92-R96 HydrophobicContact CG-CB 4.3Å; P92-R96 HydrophobicContact CG-CG 4.15Å; P92-W99 HydrophobicContact CG-CB 4.05Å; P92-W99 HydrophobicContact CG-CD2 4.43Å; P92-W99 HydrophobicContact CG-CG 4.13Å
93P86Confident88.4Confident89 Ų8975.4 Ų75.458%0.57841%0.412SS*.SBendtrans-69.4-17.1-176.728-35.9000114K79K79-P93 HydrophobicContact CD-CB 4.29Å; K79-P93 WeakPolarHBondContact CE-O 3.37Å; K79-P93 PolarHBondContact NZ-O 3.4Å
94C84.7Confident88.3Confident80 Ų8074.2 Ų74.254%0.54142%0.416SS..SBendtrans-131.4156.5176.3-62.60000108.8P92 R96P92-C94 WeakPolarHBondContact CG-O 3.38Å; P92-C94 PolarHBondContact O-N 2.95Å; C94-R96 WeakPolarHBondContact O-CG 3.39Å; C94-R96 PolarHBondContact O-N 2.62Å
95P85.6Confident88.5Confident138 Ų13876.7 Ų76.790%0.89643%0.426SS*.  trans-55.9129175.2-2333.3000111.1
96R86.6Confident88.7Confident143 Ų14376.2 Ų76.254%0.5442%0.417SS..  trans-135.8151.6174.1-55.4-17072.8-144.2-9.1110.4P92 C94 D98P92-R96 HydrophobicContact CB-CG 4.11Å; P92-R96 HydrophobicContact CG-CB 4.3Å; P92-R96 HydrophobicContact CG-CG 4.15Å; C94-R96 WeakPolarHBondContact O-CG 3.39Å; C94-R96 PolarHBondContact O-N 2.62Å; R96-D98 WeakPolarHBondContact CB-OD1 3.42Å; R96-D98 IonicContact CZ-OD1 2.7Å; R96-D98 IonicContact CZ-OD2 2.69Å; R96-D98 IonicContact NE-OD1 2.94Å; R96-D98 PolarHBondContact NE-OD1 2.93Å; R96-D98 IonicContact NE-OD2 3.88Å; R96-D98 IonicContact NH1-OD1 3.28Å; R96-D98 PolarHBondContact NH1-OD1 3.41Å; R96-D98 IonicContact NH1-OD2 3.93Å; R96-D98 PolarHBondContact NH1-OD2 3.02Å; R96-D98 VanDerWaalsContact NH2-CG 3.33Å; R96-D98 IonicContact NH2-OD1 3.64Å; R96-D98 PolarHBondContact NH2-OD1 3.14Å; R96-D98 IonicContact NH2-OD2 3.8Å; R96-D98 PolarHBondContact NH2-OD2 3.07Å
97T87.1Confident88.7Confident155 Ų15573 Ų7395%0.95140%0.404SS*.SBendtrans-87.4-11.6178.752.10000113.4
98D86.1Confident88.7Confident97 Ų9773.2 Ų73.252%0.51941%0.405SS..SBendtrans-97.910.5-177.369-27.1000113.3R96R96-D98 WeakPolarHBondContact CB-OD1 3.42Å; R96-D98 IonicContact CZ-OD1 2.7Å; R96-D98 IonicContact CZ-OD2 2.69Å; R96-D98 IonicContact NE-OD1 2.94Å; R96-D98 PolarHBondContact NE-OD1 2.93Å; R96-D98 IonicContact NE-OD2 3.88Å; R96-D98 IonicContact NH1-OD1 3.28Å; R96-D98 PolarHBondContact NH1-OD1 3.41Å; R96-D98 IonicContact NH1-OD2 3.93Å; R96-D98 PolarHBondContact NH1-OD2 3.02Å; R96-D98 VanDerWaalsContact NH2-CG 3.33Å; R96-D98 IonicContact NH2-OD1 3.64Å; R96-D98 PolarHBondContact NH2-OD1 3.14Å; R96-D98 IonicContact NH2-OD2 3.8Å; R96-D98 PolarHBondContact NH2-OD2 3.07Å
99W86.5Confident88.7Confident76 Ų7679.1 Ų79.129%0.28843%0.427SS..  trans-115.6114.7176.3-175.573.3000110.2P91 P92 N101 F103P91-W99 HydrophobicContact CB-CH2 3.77Å; P91-W99 HydrophobicContact CB-CZ2 3.82Å; P91-W99 HydrophobicContact CB-CZ3 4.17Å; P92-W99 HydrophobicContact CG-CB 4.05Å; P92-W99 HydrophobicContact CG-CD2 4.43Å; P92-W99 HydrophobicContact CG-CG 4.13Å; W99-N101 HydrophobicContact CE3-CB 4.4Å; W99-N101 HydrophobicContact CH2-CB 3.9Å; W99-N101 HydrophobicContact CZ3-CB 3.7Å; W99-F103 HydrophobicContact CH2-CE1 4.21Å; W99-F103 HydrophobicContact CH2-CZ 4.27Å; W99-F103 AromaticContact CZ2-CE1 3.63Å; W99-F103 HydrophobicContact CZ2-CE1 3.63Å; W99-F103 AromaticContact CZ2-CZ 3.8Å; W99-F103 HydrophobicContact CZ2-CZ 3.8Å
100T84.1Confident88.6Confident90 Ų9079.9 Ų79.955%0.55243%0.432SS*.  trans-89.4145.3176.268.80000110.3D102 F103T100-D102 WeakPolarHBondContact CB-OD1 3.24Å; T100-D102 PolarHBondContact OG1-OD1 2.63Å; T100-F103 WeakPolarHBondContact O-CD1 3.34Å; T100-F103 VanDerWaalsContact O-CE1 3.27Å; T100-F103 WeakPolarHBondContact O-CE1 3.5Å
101N84.3Confident88.5Confident123 Ų12384.7 Ų84.766%0.65846%0.462SS*.  trans-115.320.317966.8-13.1000112.5W99W99-N101 HydrophobicContact CE3-CB 4.4Å; W99-N101 HydrophobicContact CH2-CB 3.9Å; W99-N101 HydrophobicContact CZ3-CB 3.7Å
102D86.8Confident88.5Confident128 Ų12888.7 Ų88.768%0.68448%0.476SS*.  trans-89.4-1.9-176.160.4-20000113.8T100 G104T100-D102 WeakPolarHBondContact CB-OD1 3.24Å; T100-D102 PolarHBondContact OG1-OD1 2.63Å; D102-G104 PolarHBondContact O-N 2.93Å
103F84.1Confident88.6Confident61 Ų6188.3 Ų88.327%0.26847%0.472SS..SBendtrans-66.8-2.2175.657.4-99.1000114.3H89 W99 T100 R105H89-F103 HydrophobicContact CB-CD2 4.33Å; H89-F103 HydrophobicContact CB-CE2 3.87Å; H89-F103 HydrophobicContact CB-CZ 4.09Å; H89-F103 AromaticContact CD2-CD1 3.81Å; H89-F103 AromaticContact CD2-CD2 3.56Å; H89-F103 AromaticContact CD2-CE2 3.91Å; H89-F103 AromaticContact CD2-CG 3.52Å; H89-F103 AromaticContact CG-CD2 3.83Å; H89-F103 AromaticContact CG-CE2 3.89Å; H89-F103 AromaticContact NE2-CD2 3.92Å; H89-F103 AromaticContact NE2-CG 3.74Å; W99-F103 HydrophobicContact CH2-CE1 4.21Å; W99-F103 HydrophobicContact CH2-CZ 4.27Å; W99-F103 AromaticContact CZ2-CE1 3.63Å; W99-F103 HydrophobicContact CZ2-CE1 3.63Å; W99-F103 AromaticContact CZ2-CZ 3.8Å; W99-F103 HydrophobicContact CZ2-CZ 3.8Å; T100-F103 WeakPolarHBondContact O-CD1 3.34Å; T100-F103 VanDerWaalsContact O-CE1 3.27Å; T100-F103 WeakPolarHBondContact O-CE1 3.5Å; F103-R105 PolarHBondContact O-N 3.41Å
104G88.7Confident89Confident63 Ų6387 Ų8765%0.64946%0.458SS*.  trans73.7-96.2176.400000112.6D102D102-G104 PolarHBondContact O-N 2.93Å
105R90.8Very high89.5Confident174 Ų17485.9 Ų85.966%0.65745%0.449SS*.SBendtrans-102.6138-179-67.4-175.4-179.4-159.11.7110F103F103-R105 PolarHBondContact O-N 3.41Å
106P93.4Very high89.8Confident23 Ų2379.7 Ų79.715%0.14941%0.41CS..  trans-64.315617230.1-35.4000110.1H89 W108 R109 D110H89-P106 HydrophobicContact CB-CB 3.91Å; P106-W108 HydrophobicContact CB-CD2 3.69Å; P106-W108 VanDerWaalsContact CB-CE2 3.45Å; P106-W108 HydrophobicContact CB-CE3 3.8Å; P106-W108 HydrophobicContact CB-CH2 3.44Å; P106-W108 VanDerWaalsContact CB-CH2 3.44Å; P106-W108 HydrophobicContact CB-CZ2 3.33Å; P106-W108 HydrophobicContact CB-CZ3 3.69Å; P106-W108 HydrophobicContact CG-CD2 4.15Å; P106-W108 HydrophobicContact CG-CH2 4.31Å; P106-W108 HydrophobicContact CG-CZ2 3.7Å; P106-W108 PolarHBondContact O-N 3.31Å; P106-R109 HydrophobicContact CG-CB 4.1Å; P106-R109 HydrophobicContact CG-CG 3.98Å; P106-R109 PolarHBondContact O-N 3.27Å; P106-D110 PolarHBondContact O-N 2.99Å
107W93.3Very high90.2Very high0 Ų075.1 Ų75.10%040%0.396CS..G310 helixtrans-65-32-168.762.5-99.1000111.8Y25 L32 L35 I48 I56 F60 F87 V88 H89 R109 D110 Y113Y25-W107 HydrophobicContact CE1-CZ3 4.02Å; L32-W107 HydrophobicContact CD1-CE3 4.06Å; L32-W107 HydrophobicContact CD1-CH2 4.23Å; L32-W107 HydrophobicContact CD1-CZ3 3.84Å; L32-W107 HydrophobicContact CD2-CD2 4.34Å; L32-W107 HydrophobicContact CD2-CE3 3.6Å; L32-W107 HydrophobicContact CD2-CZ3 4.05Å; L35-W107 HydrophobicContact CD1-CB 4.15Å; L35-W107 HydrophobicContact CD2-CB 3.86Å; L35-W107 HydrophobicContact CD2-CD2 4.1Å; L35-W107 HydrophobicContact CD2-CG 3.62Å; I48-W107 HydrophobicContact CD1-CZ2 4.16Å; I56-W107 HydrophobicContact CD1-CH2 3.75Å; I56-W107 HydrophobicContact CD1-CZ3 4.46Å; F60-W107 HydrophobicContact CZ-CH2 4.04Å; F87-W107 HydrophobicContact CD2-CZ2 4.14Å; F87-W107 AromaticContact CD2-NE1 3.89Å; F87-W107 AromaticContact CE2-CZ2 3.88Å; F87-W107 HydrophobicContact CE2-CZ2 3.88Å; V88-W107 PolarHBondContact O-NE1 3.5Å; H89-W107 AromaticContact ND1-CD1 3.61Å; H89-W107 PolarHBondContact ND1-N 3.13Å; W107-R109 PolarHBondContact O-N 2.75Å; W107-D110 PolarHBondContact O-N 3Å; W107-Y113 HydrophobicContact CB-CD2 4.18Å; W107-Y113 HydrophobicContact CB-CE2 3.78Å
108W93.2Very high90.6Very high8 Ų869 Ų693%0.0336%0.357CS..G310 helixtrans-73.2-5.5177.161.991.2000114.3Y25 F60 D66 I67 F87 V88 H89 V90 P106Y25-W108 VanDerWaalsContact OH-CA 3.3Å; Y25-W108 WeakPolarHBondContact OH-CA 3.46Å; Y25-W108 PolarHBondContact OH-O 3.28Å; F60-W108 HydrophobicContact CE1-CB 3.49Å; F60-W108 VanDerWaalsContact CE1-CB 3.49Å; F60-W108 AromaticContact CE1-CD1 3.73Å; F60-W108 HydrophobicContact CE1-CD2 4.23Å; F60-W108 AromaticContact CE1-CG 3.56Å; F60-W108 HydrophobicContact CE1-CG 3.56Å; F60-W108 HydrophobicContact CZ-CB 3.71Å; F60-W108 HydrophobicContact CZ-CG 4.19Å; D66-W108 PolarHBondContact OD1-NE1 2.92Å; I67-W108 HydrophobicContact CD1-CD2 4.08Å; I67-W108 HydrophobicContact CD1-CE3 4.07Å; I67-W108 HydrophobicContact CD1-CH2 3.45Å; I67-W108 VanDerWaalsContact CD1-CH2 3.45Å; I67-W108 HydrophobicContact CD1-CZ2 3.41Å; I67-W108 VanDerWaalsContact CD1-CZ2 3.41Å; I67-W108 HydrophobicContact CD1-CZ3 3.77Å; I67-W108 HydrophobicContact CG1-CD2 4.3Å; I67-W108 HydrophobicContact CG1-CZ2 4.13Å; F87-W108 HydrophobicContact CD2-CZ3 4.44Å; F87-W108 HydrophobicContact CE2-CE3 4.11Å; F87-W108 AromaticContact CE2-CZ3 3.84Å; F87-W108 HydrophobicContact CE2-CZ3 3.84Å; V88-W108 WeakPolarHBondContact O-CZ3 3.09Å; H89-W108 HydrophobicContact CB-CH2 4.01Å; H89-W108 HydrophobicContact CB-CZ3 3.79Å; V90-W108 HydrophobicContact CG2-CH2 4.01Å; V90-W108 HydrophobicContact CG2-CZ3 4.17Å; P106-W108 HydrophobicContact CB-CD2 3.69Å; P106-W108 VanDerWaalsContact CB-CE2 3.45Å; P106-W108 HydrophobicContact CB-CE3 3.8Å; P106-W108 HydrophobicContact CB-CH2 3.44Å; P106-W108 VanDerWaalsContact CB-CH2 3.44Å; P106-W108 HydrophobicContact CB-CZ2 3.33Å; P106-W108 HydrophobicContact CB-CZ3 3.69Å; P106-W108 HydrophobicContact CG-CD2 4.15Å; P106-W108 HydrophobicContact CG-CH2 4.31Å; P106-W108 HydrophobicContact CG-CZ2 3.7Å; P106-W108 PolarHBondContact O-N 3.31Å
109R92Very high90.9Very high125 Ų12564.8 Ų64.847%0.47234%0.336SS..G310 helixtrans-113.51172.6-65.7-173.4177.9-159.12.5112.5D66 P106 W107D66-R109 IonicContact OD1-NE 3.66Å; D66-R109 IonicContact OD1-NH2 3.85Å; D66-R109 IonicContact OD2-CZ 3.39Å; D66-R109 IonicContact OD2-NE 2.91Å; D66-R109 IonicContact OD2-NH2 3.32Å; D66-R109 PolarHBondContact OD2-NH2 3.19Å; P106-R109 HydrophobicContact CG-CB 4.1Å; P106-R109 HydrophobicContact CG-CG 3.98Å; P106-R109 PolarHBondContact O-N 3.27Å; W107-R109 PolarHBondContact O-N 2.75Å
110D92.2Very high91.1Very high33 Ų3367.8 Ų67.818%0.17636%0.362CS..  trans-96.4121.2-177.3-159.3-30.8000110.6P106 W107 Q112 Y113P106-D110 PolarHBondContact O-N 2.99Å; W107-D110 PolarHBondContact O-N 3Å; D110-Q112 HydrophobicContact CB-CG 4.3Å; D110-Q112 VanDerWaalsContact CG-CG 3.49Å; D110-Q112 VanDerWaalsContact CG-NE2 3.32Å; D110-Q112 PolarHBondContact O-N 3.28Å; D110-Q112 WeakPolarHBondContact OD1-CB 3.48Å; D110-Q112 VanDerWaalsContact OD1-CG 3.29Å; D110-Q112 WeakPolarHBondContact OD1-CG 3.37Å; D110-Q112 PolarHBondContact OD1-N 2.82Å; D110-Q112 PolarHBondContact OD2-NE2 2.86Å; D110-Y113 HydrophobicContact CB-CD2 3.9Å; D110-Y113 HydrophobicContact CB-CE2 3.98Å
111T90.6Very high91.3Very high104 Ų10466.7 Ų66.764%0.63835%0.349SS*.G310 helixtrans-73.6-12.3179.753.10000112.5Y113 E114T111-Y113 PolarHBondContact O-N 3.49Å; T111-E114 WeakPolarHBondContact O-CB 3.38Å; T111-E114 PolarHBondContact O-N 2.99Å; T111-E114 VanDerWaalsContact O-N 3.16Å
112Q91.9Very high91.7Very high132 Ų13262.5 Ų62.562%0.61733%0.328SS*.G310 helixtrans-62.2-27.8179.376.2177.9-61.400113D110D110-Q112 HydrophobicContact CB-CG 4.3Å; D110-Q112 VanDerWaalsContact CG-CG 3.49Å; D110-Q112 VanDerWaalsContact CG-NE2 3.32Å; D110-Q112 PolarHBondContact O-N 3.28Å; D110-Q112 WeakPolarHBondContact OD1-CB 3.48Å; D110-Q112 VanDerWaalsContact OD1-CG 3.29Å; D110-Q112 WeakPolarHBondContact OD1-CG 3.37Å; D110-Q112 PolarHBondContact OD1-N 2.82Å; D110-Q112 PolarHBondContact OD2-NE2 2.86Å
113Y93.2Very high91.8Very high13 Ų1356.8 Ų56.85%0.05130%0.297CS..G310 helixtrans-89.9-8.4-179.5-59.1-64.4000112.5Y30 D31 L32 P34 L35 W107 D110 T111 V115Y30-Y113 CarbonylContact C-O 3.57Å; Y30-Y113 WeakPolarHBondContact CA-O 3.06Å; D31-Y113 PolarHBondContact N-O 3.04Å; D31-Y113 WeakPolarHBondContact O-CD1 3.24Å; L32-Y113 HydrophobicContact CD2-CD1 4.46Å; L32-Y113 HydrophobicContact CD2-CG 4.2Å; P34-Y113 HydrophobicContact CB-CE1 4.16Å; P34-Y113 HydrophobicContact CG-CE1 4.42Å; L35-Y113 HydrophobicContact CB-CE1 4.11Å; W107-Y113 HydrophobicContact CB-CD2 4.18Å; W107-Y113 HydrophobicContact CB-CE2 3.78Å; D110-Y113 HydrophobicContact CB-CD2 3.9Å; D110-Y113 HydrophobicContact CB-CE2 3.98Å; T111-Y113 PolarHBondContact O-N 3.49Å; Y113-V115 PolarHBondContact O-N 2.68Å
114E94.4Very high92.1Very high62 Ų6261 Ų6129%0.2931%0.311SS..EExtended strand (participates in β ladder)trans-76.8120-176.5-173.8172.9157.900110.7K28 Y30 T111K28-E114 WeakPolarHBondContact CE-OE1 2.98Å; K28-E114 IonicContact NZ-OE1 3.55Å; K28-E114 PolarHBondContact NZ-OE1 3.25Å; K28-E114 IonicContact NZ-OE2 3.04Å; K28-E114 PolarHBondContact NZ-OE2 2.89Å; Y30-E114 HydrophobicContact CD1-CB 4.45Å; Y30-E114 HydrophobicContact CE1-CB 3.96Å; Y30-E114 PolarHBondContact OH-OE2 3.48Å; T111-E114 WeakPolarHBondContact O-CB 3.38Å; T111-E114 PolarHBondContact O-N 2.99Å; T111-E114 VanDerWaalsContact O-N 3.16Å
115V93.8Very high92.2Very high56 Ų5658.1 Ų58.134%0.33928%0.281SS..EExtended strand (participates in β ladder)trans-104.4-22.1-179.7-65.40000113.4F7 W22 V29 D31 Y113F7-V115 HydrophobicContact CE2-CG2 4.21Å; F7-V115 HydrophobicContact CZ-CG2 4.48Å; W22-V115 HydrophobicContact CE3-CG2 4.3Å; W22-V115 HydrophobicContact CH2-CG2 4.34Å; W22-V115 HydrophobicContact CZ3-CG2 4.19Å; V29-V115 HydrophobicContact CB-CG2 3.88Å; V29-V115 HydrophobicContact CG1-CG2 3.58Å; V29-V115 WeakPolarHBondContact O-CG2 3.39Å; V29-V115 PolarHBondContact O-N 2.88Å; D31-V115 HydrophobicContact CB-CG1 3.58Å; Y113-V115 PolarHBondContact O-N 2.68Å
116G93.5Very high92.3Very high8 Ų852.5 Ų52.58%0.08226%0.26CS..EExtended strand (participates in β ladder)trans168.3-159.4176.800000113.1K5 V29K5-G116 WeakPolarHBondContact O-CA 3.46Å; V29-G116 PolarHBondContact N-O 2.96Å
117L94.6Very high92.3Very high46 Ų4651.4 Ų51.424%0.24125%0.253CS..EExtended strand (participates in β ladder)trans-106.8144.5-178.1-61.3-177.8000111.1T4 K5 Y6 F7 G27 K28T4-L117 HydrophobicContact CG2-CB 4.4Å; T4-L117 HydrophobicContact CG2-CD1 3.45Å; T4-L117 VanDerWaalsContact CG2-CD1 3.45Å; T4-L117 HydrophobicContact CG2-CG 3.57Å; K5-L117 PolarHBondContact O-N 3.18Å; Y6-L117 CarbonylContact C-O 3.58Å; Y6-L117 WeakPolarHBondContact CA-O 3.22Å; Y6-L117 HydrophobicContact CD1-CB 3.92Å; Y6-L117 HydrophobicContact CE1-CB 3.98Å; Y6-L117 HydrophobicContact CE1-CD1 3.89Å; F7-L117 PolarHBondContact N-O 3.03Å; G27-L117 WeakPolarHBondContact O-CA 3.33Å; K28-L117 HydrophobicContact CG-CD2 3.88Å
118L94.5Very high92.3Very high27 Ų2753.3 Ų53.314%0.14126%0.262CS..EExtended strand (participates in β ladder)trans-82.1131.6168.2-172.175.6000107.5P9 V12 G27 V29P9-L118 HydrophobicContact CG-CD1 4.31Å; V12-L118 HydrophobicContact CG2-CD1 3.95Å; G27-L118 PolarHBondContact O-N 2.71Å; V29-L118 HydrophobicContact CG2-CB 4.01Å; V29-L118 HydrophobicContact CG2-CD1 4.23Å
119S93.3Very high92.3Very high9 Ų953 Ų536%0.06326%0.262CS..  trans-60.3140.6176-179.60000111.4F7 K121 C141 E143F7-S119 PolarHBondContact O-N 2.93Å; S119-K121 VanDerWaalsContact C-N 3.34Å; S119-K121 PolarHBondContact OG-N 3.06Å; S119-K121 PolarHBondContact OG-O 3.4Å; S119-C141 VanDerWaalsContact CB-SG 3.54Å; S119-C141 WeakPolarHBondContact OG-CB 3.31Å; S119-E143 PolarHBondContact OG-OE2 3.15Å
120V89.7Confident92.2Very high138 Ų13849.8 Ų49.884%0.83626%0.256SS*.SBendtrans-70.8-37173.8179.60000110.2E143V120-E143 VanDerWaalsContact CB-OE1 3.24Å; V120-E143 WeakPolarHBondContact CB-OE1 3.49Å; V120-E143 WeakPolarHBondContact CG2-OE1 3.37Å; V120-E143 PolarHBondContact N-OE1 3.42Å
121K90.1Very high92.1Very high68 Ų6853.4 Ų53.430%0.29628%0.275SS..  trans-148.3123.7-179.2-169.2175.4-177.1-169.80111S119 S142 D185S119-K121 VanDerWaalsContact C-N 3.34Å; S119-K121 PolarHBondContact OG-N 3.06Å; S119-K121 PolarHBondContact OG-O 3.4Å; K121-S142 WeakPolarHBondContact O-CB 3.33Å; K121-S142 PolarHBondContact O-N 3.18Å; K121-S142 PolarHBondContact O-OG 3.05Å; K121-D185 VanDerWaalsContact CD-OD2 3.22Å; K121-D185 WeakPolarHBondContact CD-OD2 3.42Å; K121-D185 WeakPolarHBondContact CE-OD2 3.4Å; K121-D185 IonicContact NZ-OD1 2.71Å; K121-D185 IonicContact NZ-OD2 3.84Å; K121-D185 PolarHBondContact NZ-OD2 3.34Å
122T91.4Very high92.1Very high35 Ų3551.7 Ų51.722%0.21526%0.264CS..EExtended strand (participates in β ladder)trans-96.6150172.663.10000110.8T8 E139 V140T8-T122 HydrophobicContact CG2-CG2 3.85Å; T122-E139 WeakPolarHBondContact CB-OE1 3.42Å; T122-E139 PolarHBondContact OG1-OE1 2.96Å; T122-V140 VanDerWaalsContact CA-O 3.29Å; T122-V140 WeakPolarHBondContact CA-O 3.48Å
123R89.6Confident92Very high7 Ų750.3 Ų50.33%0.02627%0.269CS..EExtended strand (participates in β ladder)trans-138.7153.8175.562.4-175.9-77.4-174.92.2109.9V140 I183 P184R123-V140 HydrophobicContact CG-CG2 3.75Å; R123-V140 PolarHBondContact N-O 2.97Å; R123-V140 WeakPolarHBondContact O-CG2 3.45Å; R123-V140 PolarHBondContact O-N 3.14Å; R123-I183 PolarHBondContact NH1-O 3.5Å; R123-P184 PolarHBondContact NH1-O 2.84Å; R123-P184 PolarHBondContact NH2-O 3.35Å
124W89.1Confident91.9Very high150 Ų15055.5 Ų55.557%0.56829%0.294SS*.EExtended strand (participates in β ladder)trans-94.1133.3173.8-76.781.7000110.3L138 E139W124-L138 WeakPolarHBondContact CA-O 3.33Å; W124-E139 HydrophobicContact CD2-CB 4.23Å; W124-E139 HydrophobicContact CH2-CB 4.3Å; W124-E139 HydrophobicContact CZ2-CB 3.96Å
125I91.7Very high91.8Very high2 Ų257.9 Ų57.91%0.0131%0.305CS..EExtended strand (participates in β ladder)trans-124.1153.5172.162.3167.4000109.9I127 G137 L138 V140 I149 L178 I204I125-I127 HydrophobicContact CD1-CD1 4.4Å; I125-I127 HydrophobicContact CD1-CG1 4.32Å; I125-G137 CarbonylContact O-C 3.54Å; I125-G137 WeakPolarHBondContact O-CA 3.29Å; I125-L138 HydrophobicContact CG1-CB 4.17Å; I125-L138 PolarHBondContact N-O 2.78Å; I125-L138 PolarHBondContact O-N 2.81Å; I125-V140 HydrophobicContact CD1-CG1 3.76Å; I125-V140 HydrophobicContact CD1-CG2 4.13Å; I125-V140 HydrophobicContact CG1-CG1 3.91Å; I125-V140 HydrophobicContact CG1-CG2 4.03Å; I125-V140 HydrophobicContact CG2-CG2 3.96Å; I125-I149 HydrophobicContact CD1-CD1 4.42Å; I125-I149 HydrophobicContact CD1-CG2 3.73Å; I125-L178 HydrophobicContact CG2-CD1 3.92Å; I125-I204 HydrophobicContact CD1-CD1 4.09Å
126R92.3Very high91.8Very high56 Ų5658 Ų5821%0.21130%0.302CS..EExtended strand (participates in β ladder)trans-105.6129.2173.3-64.3-177-74.5-177.2-6.8109.9E135 L199 S201 Q202 S203 I204R126-E135 HydrophobicContact CB-CG 4.45Å; R126-E135 WeakPolarHBondContact CD-OE1 3.38Å; R126-E135 IonicContact NH1-OE1 3.36Å; R126-L199 PolarHBondContact NH2-O 3.23Å; R126-S201 VanDerWaalsContact CD-OG 3.22Å; R126-S201 WeakPolarHBondContact CD-OG 3.01Å; R126-S201 WeakPolarHBondContact CG-OG 3.39Å; R126-S201 VanDerWaalsContact CZ-O 3.28Å; R126-S201 PolarHBondContact NE-O 3Å; R126-S201 PolarHBondContact NE-OG 3.39Å; R126-S201 PolarHBondContact NH2-O 2.98Å; R126-Q202 PolarHBondContact N-O 3.12Å; R126-S203 CarbonylContact O-C 3.59Å; R126-S203 WeakPolarHBondContact O-CA 3.44Å; R126-I204 PolarHBondContact O-N 2.83Å
127I93.8Very high91.7Very high0 Ų059 Ų590%031%0.311CS..EExtended strand (participates in β ladder)trans-107.9118.3172.6-59.3-173.8000108.2I125 E135 Q136 L138 I149 Y153 W165 I204 L206I125-I127 HydrophobicContact CD1-CD1 4.4Å; I125-I127 HydrophobicContact CD1-CG1 4.32Å; I127-E135 WeakPolarHBondContact O-CA 3.49Å; I127-Q136 PolarHBondContact N-O 2.77Å; I127-Q136 PolarHBondContact O-N 2.91Å; I127-L138 HydrophobicContact CD1-CD1 3.44Å; I127-L138 VanDerWaalsContact CD1-CD1 3.44Å; I127-L138 HydrophobicContact CD1-CG 4.26Å; I127-L138 HydrophobicContact CG1-CD1 4.32Å; I127-I149 HydrophobicContact CD1-CG2 4.3Å; I127-Y153 HydrophobicContact CB-CD2 4.08Å; I127-Y153 HydrophobicContact CB-CE2 3.89Å; I127-Y153 HydrophobicContact CD1-CD2 3.69Å; I127-Y153 HydrophobicContact CD1-CE2 4.38Å; I127-Y153 HydrophobicContact CD1-CG 3.88Å; I127-Y153 HydrophobicContact CG1-CD2 4.45Å; I127-Y153 HydrophobicContact CG2-CD1 4.46Å; I127-Y153 HydrophobicContact CG2-CD2 3.92Å; I127-Y153 HydrophobicContact CG2-CE1 4.17Å; I127-Y153 HydrophobicContact CG2-CE2 3.57Å; I127-Y153 HydrophobicContact CG2-CG 4.34Å; I127-W165 HydrophobicContact CD1-CH2 3.57Å; I127-W165 HydrophobicContact CD1-CZ3 3.61Å; I127-W165 HydrophobicContact CG1-CZ3 4.44Å; I127-I204 WeakPolarHBondContact CA-O 3.48Å; I127-L206 HydrophobicContact CG2-CD1 3.44Å; I127-L206 VanDerWaalsContact CG2-CD1 3.44Å; I127-L206 HydrophobicContact CG2-CD2 4.12Å; I127-L206 HydrophobicContact CG2-CG 3.6Å
128I93.8Very high91.6Very high40 Ų4057.4 Ų57.421%0.20530%0.303CS..EExtended strand (participates in β ladder)trans-111115.5-176.4-56.5173.7000108.6T130 Q134 E135 I204 C205 L206I128-T130 PolarHBondContact O-N 3.34Å; I128-Q134 WeakPolarHBondContact CA-O 3.45Å; I128-E135 HydrophobicContact CG1-CB 4.42Å; I128-E135 HydrophobicContact CG1-CG 4.12Å; I128-I204 PolarHBondContact N-O 3.02Å; I128-C205 CarbonylContact O-C 3.58Å; I128-C205 WeakPolarHBondContact O-CA 3.37Å; I128-L206 PolarHBondContact O-N 2.81Å
129N92.5Very high91.5Very high3 Ų357.6 Ų57.62%0.01630%0.304CS..EExtended strand (participates in β ladder)trans-78.7111.8169.6-175.3-27.8000109L131 T132 S133 Q134N129-L131 PolarHBondContact O-N 3.32Å; N129-L131 WeakPolarHBondContact OD1-CB 3.34Å; N129-L131 PolarHBondContact OD1-N 3.15Å; N129-T132 WeakPolarHBondContact CB-OG1 3.49Å; N129-T132 VanDerWaalsContact CG-OG1 3.3Å; N129-T132 PolarHBondContact O-N 2.95Å; N129-T132 PolarHBondContact OD1-N 3.41Å; N129-S133 VanDerWaalsContact O-CA 3.23Å; N129-S133 WeakPolarHBondContact O-CA 3.36Å; N129-S133 PolarHBondContact O-N 3.25Å; N129-Q134 PolarHBondContact N-O 3.39Å
130T91.2Very high91.4Very high56 Ų5657.2 Ų57.234%0.34430%0.301SS..THydrogen-bonded Turntrans-72.9-18.7-175.265.80000113.2I128 C205 L206 Y207I128-T130 PolarHBondContact O-N 3.34Å; T130-C205 HydrophobicContact CG2-CB 3.87Å; T130-L206 PolarHBondContact N-O 2.86Å; T130-L206 PolarHBondContact OG1-O 3.12Å; T130-Y207 HydrophobicContact CG2-CD1 4.46Å; T130-Y207 HydrophobicContact CG2-CE1 4.11Å; T130-Y207 HydrophobicContact CG2-CE2 4.19Å
131L89.8Confident91.6Very high110 Ų11050.6 Ų50.658%0.57626%0.261SS*.THydrogen-bonded Turntrans-78.6-42.1177.7179.664000111.4N129 F208N129-L131 PolarHBondContact O-N 3.32Å; N129-L131 WeakPolarHBondContact OD1-CB 3.34Å; N129-L131 PolarHBondContact OD1-N 3.15Å; L131-F208 HydrophobicContact CB-CB 4.38Å; L131-F208 HydrophobicContact CD2-CB 3.93Å; L131-F208 HydrophobicContact CD2-CD1 4.19Å; L131-F208 HydrophobicContact CD2-CG 3.96Å
132T90.4Very high91.6Very high67 Ų6749 Ų4941%0.41126%0.258SS..THydrogen-bonded Turntrans-100.8-7.8-176.463.20000113.7N129 Q134N129-T132 WeakPolarHBondContact CB-OG1 3.49Å; N129-T132 VanDerWaalsContact CG-OG1 3.3Å; N129-T132 PolarHBondContact O-N 2.95Å; N129-T132 PolarHBondContact OD1-N 3.41Å; T132-Q134 PolarHBondContact O-N 2.98Å; T132-Q134 WeakPolarHBondContact OG1-CB 3.48Å; T132-Q134 WeakPolarHBondContact OG1-CG 3.48Å; T132-Q134 PolarHBondContact OG1-N 3.17Å; T132-Q134 PolarHBondContact OG1-OE1 3.26Å; T132-Q134 VanDerWaalsContact OG1-OE1 3.13Å
133S90.4Very high91.6Very high104 Ų10449.7 Ų49.773%0.72726%0.259SS*.THydrogen-bonded Turntrans56.622.5-171.3-56.60000113.9N129N129-S133 VanDerWaalsContact O-CA 3.23Å; N129-S133 WeakPolarHBondContact O-CA 3.36Å; N129-S133 PolarHBondContact O-N 3.25Å
134Q91.1Very high91.7Very high121 Ų12149.6 Ų49.657%0.56526%0.258SS*.EExtended strand (participates in β ladder)trans-82.8134.1176.5-70.5172.9-30.800110.4I128 N129 T132I128-Q134 WeakPolarHBondContact CA-O 3.45Å; N129-Q134 PolarHBondContact N-O 3.39Å; T132-Q134 PolarHBondContact O-N 2.98Å; T132-Q134 WeakPolarHBondContact OG1-CB 3.48Å; T132-Q134 WeakPolarHBondContact OG1-CG 3.48Å; T132-Q134 PolarHBondContact OG1-N 3.17Å; T132-Q134 PolarHBondContact OG1-OE1 3.26Å; T132-Q134 VanDerWaalsContact OG1-OE1 3.13Å
135E92.4Very high91.9Very high112 Ų11244.1 Ų44.152%0.52324%0.242SC..EExtended strand (participates in β ladder)trans-113.3133.4177.1-178.8179.1148.900109.7R126 I127 I128R126-E135 HydrophobicContact CB-CG 4.45Å; R126-E135 WeakPolarHBondContact CD-OE1 3.38Å; R126-E135 IonicContact NH1-OE1 3.36Å; I127-E135 WeakPolarHBondContact O-CA 3.49Å; I128-E135 HydrophobicContact CG1-CB 4.42Å; I128-E135 HydrophobicContact CG1-CG 4.12Å
136Q92.6Very high92Very high59 Ų5944 Ų4428%0.27624%0.241SC..EExtended strand (participates in β ladder)trans-131.2120.6176.2-175.356.856.600110.2I127 L138 Y153 Y156I127-Q136 PolarHBondContact N-O 2.77Å; I127-Q136 PolarHBondContact O-N 2.91Å; Q136-L138 HydrophobicContact CG-CD2 4.08Å; Q136-Y153 HydrophobicContact CB-CE2 4.02Å; Q136-Y153 HydrophobicContact CG-CE2 4.41Å; Q136-Y156 VanDerWaalsContact CD-CZ 3.47Å; Q136-Y156 HydrophobicContact CG-CD1 3.99Å; Q136-Y156 HydrophobicContact CG-CD2 3.87Å; Q136-Y156 HydrophobicContact CG-CE1 3.88Å; Q136-Y156 HydrophobicContact CG-CE2 3.78Å; Q136-Y156 HydrophobicContact CG-CG 3.98Å; Q136-Y156 PolarHBondContact NE2-OH 3.43Å
137G91.8Very high92Very high28 Ų2844.9 Ų44.929%0.28925%0.25SS..EExtended strand (participates in β ladder)trans-76132.716800000110.7I125I125-G137 CarbonylContact O-C 3.54Å; I125-G137 WeakPolarHBondContact O-CA 3.29Å
138L91.9Very high91.9Very high14 Ų1446.9 Ų46.97%0.07326%0.259CS..EExtended strand (participates in β ladder)trans-125.5135.1172.3-64-174.1000110.2W124 I125 I127 Q136 V140 R152 Y153 Y156W124-L138 WeakPolarHBondContact CA-O 3.33Å; I125-L138 HydrophobicContact CG1-CB 4.17Å; I125-L138 PolarHBondContact N-O 2.78Å; I125-L138 PolarHBondContact O-N 2.81Å; I127-L138 HydrophobicContact CD1-CD1 3.44Å; I127-L138 VanDerWaalsContact CD1-CD1 3.44Å; I127-L138 HydrophobicContact CD1-CG 4.26Å; I127-L138 HydrophobicContact CG1-CD1 4.32Å; Q136-L138 HydrophobicContact CG-CD2 4.08Å; L138-V140 HydrophobicContact CB-CG1 4.13Å; L138-R152 HydrophobicContact CD1-CB 4.41Å; L138-Y153 HydrophobicContact CD1-CD2 4.15Å; L138-Y156 HydrophobicContact CD2-CD2 4.34Å; L138-Y156 HydrophobicContact CD2-CE2 3.62Å
139E92.4Very high91.9Very high31 Ų3145 Ų4515%0.14525%0.25CC..EExtended strand (participates in β ladder)trans-82.1123.7162.4-169.7-175-161.100108.6T8 T10 T122 W124T8-E139 HydrophobicContact CG2-CG 4.02Å; T8-E139 PolarHBondContact OG1-OE2 3.46Å; T10-E139 WeakPolarHBondContact CB-OE2 3.48Å; T10-E139 PolarHBondContact OG1-OE2 3.17Å; T122-E139 WeakPolarHBondContact CB-OE1 3.42Å; T122-E139 PolarHBondContact OG1-OE1 2.96Å; W124-E139 HydrophobicContact CD2-CB 4.23Å; W124-E139 HydrophobicContact CH2-CB 4.3Å; W124-E139 HydrophobicContact CZ2-CB 3.96Å
140V92.8Very high91.9Very high0 Ų045.3 Ų45.30%025%0.251CS..EExtended strand (participates in β ladder)trans-127.5154.9-178-61.50000110.8T122 R123 I125 L138 I149 L178T122-V140 VanDerWaalsContact CA-O 3.29Å; T122-V140 WeakPolarHBondContact CA-O 3.48Å; R123-V140 HydrophobicContact CG-CG2 3.75Å; R123-V140 PolarHBondContact N-O 2.97Å; R123-V140 WeakPolarHBondContact O-CG2 3.45Å; R123-V140 PolarHBondContact O-N 3.14Å; I125-V140 HydrophobicContact CD1-CG1 3.76Å; I125-V140 HydrophobicContact CD1-CG2 4.13Å; I125-V140 HydrophobicContact CG1-CG1 3.91Å; I125-V140 HydrophobicContact CG1-CG2 4.03Å; I125-V140 HydrophobicContact CG2-CG2 3.96Å; L138-V140 HydrophobicContact CB-CG1 4.13Å; V140-I149 HydrophobicContact CB-CD1 4.31Å; V140-I149 HydrophobicContact CB-CG1 4.24Å; V140-I149 HydrophobicContact CG1-CD1 4.25Å; V140-I149 HydrophobicContact CG1-CG1 3.93Å; V140-I149 HydrophobicContact CG1-CG2 4.06Å; V140-I149 HydrophobicContact CG2-CD1 4.46Å; V140-L178 HydrophobicContact CG2-CD1 3.89Å
141C92.9Very high91.9Very high0 Ų048.7 Ų48.70%026%0.263CS..EExtended strand (participates in β ladder)trans-84.5143.3174.6-49.20000109.3S119 E143 E144S119-C141 VanDerWaalsContact CB-SG 3.54Å; S119-C141 WeakPolarHBondContact OG-CB 3.31Å; C141-E143 PolarHBondContact O-N 3.1Å; C141-E144 HydrophobicContact CB-CB 4.33Å; C141-E144 HydrophobicContact CB-CG 3.74Å; C141-E144 WeakPolarHBondContact CB-OE2 3.44Å; C141-E144 PolarHBondContact N-OE2 3.21Å; C141-E144 PolarHBondContact O-N 3.12Å; C141-E144 PolarHBondContact SG-OE2 3.19Å; C141-E144 VanDerWaalsContact SG-OE2 3.39Å
142S90.5Very high92Very high33 Ų3345.6 Ų45.623%0.23124%0.244CC..THydrogen-bonded Turntrans-65.9-25.3179.5-58.60000112.8K121K121-S142 WeakPolarHBondContact O-CB 3.33Å; K121-S142 PolarHBondContact O-N 3.18Å; K121-S142 PolarHBondContact O-OG 3.05Å
143E91Very high92.1Very high50 Ų5042.7 Ų42.723%0.23423%0.225CC..THydrogen-bonded Turntrans-84.5-10.3-179.1-50.989.3158.200113.7Y6 S119 V120 C141Y6-E143 HydrophobicContact CD1-CB 3.98Å; Y6-E143 HydrophobicContact CD1-CG 4.36Å; Y6-E143 HydrophobicContact CD2-CB 4.2Å; Y6-E143 HydrophobicContact CE1-CB 3.63Å; Y6-E143 HydrophobicContact CE1-CG 3.89Å; Y6-E143 HydrophobicContact CE2-CB 3.89Å; Y6-E143 HydrophobicContact CG-CB 4.25Å; S119-E143 PolarHBondContact OG-OE2 3.15Å; V120-E143 VanDerWaalsContact CB-OE1 3.24Å; V120-E143 WeakPolarHBondContact CB-OE1 3.49Å; V120-E143 WeakPolarHBondContact CG2-OE1 3.37Å; V120-E143 PolarHBondContact N-OE1 3.42Å; C141-E143 PolarHBondContact O-N 3.1Å
144E91.1Very high92.2Very high5 Ų539.9 Ų39.92%0.02320%0.202CC..  trans-75.2141.5-177.6-80.5172.2142.600112Y6 C141 E148 I149 R152 T177Y6-E144 HydrophobicContact CD2-CG 4.35Å; C141-E144 HydrophobicContact CB-CB 4.33Å; C141-E144 HydrophobicContact CB-CG 3.74Å; C141-E144 WeakPolarHBondContact CB-OE2 3.44Å; C141-E144 PolarHBondContact N-OE2 3.21Å; C141-E144 PolarHBondContact O-N 3.12Å; C141-E144 PolarHBondContact SG-OE2 3.19Å; C141-E144 VanDerWaalsContact SG-OE2 3.39Å; E144-E148 WeakPolarHBondContact CA-OE2 3.4Å; E144-E148 HydrophobicContact CB-CB 4.15Å; E144-E148 HydrophobicContact CG-CB 4.11Å; E144-I149 HydrophobicContact CB-CG1 4.28Å; E144-R152 VanDerWaalsContact CD-NE 3.26Å; E144-R152 IonicContact OE1-CZ 3.7Å; E144-R152 IonicContact OE1-NE 3.59Å; E144-R152 PolarHBondContact OE1-NE 2.85Å; E144-R152 IonicContact OE1-NH2 2.77Å; E144-R152 PolarHBondContact OE1-NH2 3.46Å; E144-R152 IonicContact OE2-CZ 2.78Å; E144-R152 IonicContact OE2-NE 3.18Å; E144-R152 PolarHBondContact OE2-NE 3.25Å; E144-R152 IonicContact OE2-NH2 2.84Å; E144-T177 WeakPolarHBondContact O-CA 3.36Å
145T93.8Very high92.2Very high36 Ų3644.7 Ų44.722%0.22122%0.215CC..BIsolated β-bridgetrans-75.4157.6167.960.60000110.8N147 E148 I149 S175 K176T145-N147 PolarHBondContact O-N 3.32Å; T145-E148 PolarHBondContact N-OE2 3.16Å; T145-E148 WeakPolarHBondContact O-CB 3.32Å; T145-E148 PolarHBondContact O-N 3.15Å; T145-E148 PolarHBondContact OG1-N 3.27Å; T145-E148 PolarHBondContact OG1-OE2 3.35Å; T145-E148 VanDerWaalsContact OG1-OE2 3.05Å; T145-I149 PolarHBondContact O-N 3.26Å; T145-S175 WeakPolarHBondContact CG2-O 3.5Å; T145-K176 WeakPolarHBondContact CA-O 3.08Å
146L92.8Very high92.1Very high0 Ų044.9 Ų44.90%021%0.212CC..Hα-helixtrans-59-28.4174.3-91.1169000113.5I149 L150 W165 L172 M174 K176 L178 N181 I204L146-I149 HydrophobicContact CD2-CD1 4.29Å; L146-I149 PolarHBondContact O-N 3.03Å; L146-L150 WeakPolarHBondContact O-CB 3.49Å; L146-L150 PolarHBondContact O-N 3.12Å; L146-W165 HydrophobicContact CD2-CE3 3.83Å; L146-W165 HydrophobicContact CD2-CZ3 4.15Å; L146-L172 HydrophobicContact CD1-CB 3.41Å; L146-L172 VanDerWaalsContact CD1-CB 3.41Å; L146-L172 HydrophobicContact CD1-CD1 3.9Å; L146-L172 HydrophobicContact CD1-CG 4.14Å; L146-L172 HydrophobicContact CD2-CD1 4.4Å; L146-M174 HydrophobicContact CB-CE 4.03Å; L146-M174 HydrophobicContact CB-SD 4Å; L146-M174 WeakPolarHBondContact O-CE 3.43Å; L146-K176 PolarHBondContact N-O 3.12Å; L146-L178 HydrophobicContact CD2-CD2 4.1Å; L146-L178 HydrophobicContact CG-CD2 4.42Å; L146-N181 WeakPolarHBondContact CD1-ND2 3.49Å; L146-I204 HydrophobicContact CD2-CD1 4.07Å
147N92.6Very high92Very high74 Ų7443.2 Ų43.240%0.39621%0.205SC..Hα-helixtrans-62-40.3171.1-85.6-42.9000112.7T145 L150 Q151 M174T145-N147 PolarHBondContact O-N 3.32Å; N147-L150 WeakPolarHBondContact O-CB 3.44Å; N147-L150 PolarHBondContact O-N 3.16Å; N147-Q151 WeakPolarHBondContact O-CG 3.42Å; N147-Q151 PolarHBondContact O-N 2.78Å; N147-Q151 VanDerWaalsContact O-N 3.1Å; N147-M174 VanDerWaalsContact CG-O 3.27Å; N147-M174 PolarHBondContact N-O 3.43Å; N147-M174 PolarHBondContact ND2-O 3.03Å; N147-M174 WeakPolarHBondContact OD1-CB 3.38Å
148E92.2Very high91.8Very high41 Ų4145.9 Ų45.919%0.19222%0.219CC..Hα-helixtrans-71.2-38.6176.9-69.7164.2140.600111E144 T145 L150 Q151 R152E144-E148 WeakPolarHBondContact CA-OE2 3.4Å; E144-E148 HydrophobicContact CB-CB 4.15Å; E144-E148 HydrophobicContact CG-CB 4.11Å; T145-E148 PolarHBondContact N-OE2 3.16Å; T145-E148 WeakPolarHBondContact O-CB 3.32Å; T145-E148 PolarHBondContact O-N 3.15Å; T145-E148 PolarHBondContact OG1-N 3.27Å; T145-E148 PolarHBondContact OG1-OE2 3.35Å; T145-E148 VanDerWaalsContact OG1-OE2 3.05Å; E148-L150 VanDerWaalsContact C-N 3.32Å; E148-L150 PolarHBondContact O-N 2.84Å; E148-Q151 WeakPolarHBondContact O-CB 3.14Å; E148-Q151 PolarHBondContact O-N 3.35Å; E148-Q151 VanDerWaalsContact O-N 3.12Å; E148-R152 PolarHBondContact O-N 2.96Å; E148-R152 VanDerWaalsContact O-N 3.15Å
149I93.1Very high91.5Very high0 Ų049 Ų490%023%0.233CC..Hα-helixtrans-61.4-41.2172.1-62.8173.9000111I125 I127 V140 E144 T145 L146 Q151 R152 Y153 W165 L178I125-I149 HydrophobicContact CD1-CD1 4.42Å; I125-I149 HydrophobicContact CD1-CG2 3.73Å; I127-I149 HydrophobicContact CD1-CG2 4.3Å; V140-I149 HydrophobicContact CB-CD1 4.31Å; V140-I149 HydrophobicContact CB-CG1 4.24Å; V140-I149 HydrophobicContact CG1-CD1 4.25Å; V140-I149 HydrophobicContact CG1-CG1 3.93Å; V140-I149 HydrophobicContact CG1-CG2 4.06Å; V140-I149 HydrophobicContact CG2-CD1 4.46Å; E144-I149 HydrophobicContact CB-CG1 4.28Å; T145-I149 PolarHBondContact O-N 3.26Å; L146-I149 HydrophobicContact CD2-CD1 4.29Å; L146-I149 PolarHBondContact O-N 3.03Å; I149-Q151 VanDerWaalsContact C-N 3.33Å; I149-Q151 PolarHBondContact O-N 2.95Å; I149-R152 WeakPolarHBondContact O-CB 3.4Å; I149-R152 PolarHBondContact O-N 3.09Å; I149-R152 VanDerWaalsContact O-N 3.16Å; I149-Y153 PolarHBondContact O-N 2.91Å; I149-W165 HydrophobicContact CG2-CH2 4.35Å; I149-W165 HydrophobicContact CG2-CZ3 4.04Å; I149-L178 HydrophobicContact CD1-CD1 3.89Å; I149-L178 HydrophobicContact CD1-CD2 3.9Å; I149-L178 HydrophobicContact CD1-CG 3.77Å
150L93.1Very high91.3Very high10 Ų1047.6 Ų47.65%0.05223%0.226CC..Hα-helixtrans-57.9-45.3172.4165.665.1000110.8L146 N147 E148 R152 Y153 L154 A160 A161 W165 M174L146-L150 WeakPolarHBondContact O-CB 3.49Å; L146-L150 PolarHBondContact O-N 3.12Å; N147-L150 WeakPolarHBondContact O-CB 3.44Å; N147-L150 PolarHBondContact O-N 3.16Å; E148-L150 VanDerWaalsContact C-N 3.32Å; E148-L150 PolarHBondContact O-N 2.84Å; L150-R152 PolarHBondContact O-N 3.22Å; L150-Y153 CarbonylContact O-C 3.47Å; L150-Y153 WeakPolarHBondContact O-CA 3.23Å; L150-Y153 PolarHBondContact O-N 3.29Å; L150-L154 HydrophobicContact CD1-CD2 4Å; L150-L154 HydrophobicContact CD1-CG 4.12Å; L150-L154 HydrophobicContact CG-CG 4.39Å; L150-L154 WeakPolarHBondContact O-CG 3.49Å; L150-L154 PolarHBondContact O-N 3.1Å; L150-A160 HydrophobicContact CD1-CB 3.73Å; L150-A161 HydrophobicContact CD2-CB 4.06Å; L150-W165 HydrophobicContact CB-CH2 4.21Å; L150-W165 HydrophobicContact CB-CZ2 3.87Å; L150-W165 HydrophobicContact CD1-CZ2 3.55Å; L150-W165 HydrophobicContact CG-CZ2 4.29Å; L150-M174 HydrophobicContact CB-CE 3.86Å; L150-M174 HydrophobicContact CD2-CE 4.01Å
151Q91.9Very high91.1Very high128 Ų12850.9 Ų50.960%0.59825%0.254SS*.Hα-helixtrans-57.9-37.4177.1-64.2-54.3-58.700112.5N147 E148 I149N147-Q151 WeakPolarHBondContact O-CG 3.42Å; N147-Q151 PolarHBondContact O-N 2.78Å; N147-Q151 VanDerWaalsContact O-N 3.1Å; E148-Q151 WeakPolarHBondContact O-CB 3.14Å; E148-Q151 PolarHBondContact O-N 3.35Å; E148-Q151 VanDerWaalsContact O-N 3.12Å; I149-Q151 VanDerWaalsContact C-N 3.33Å; I149-Q151 PolarHBondContact O-N 2.95Å
152R91Very high90.9Very high44 Ų4451.8 Ų51.817%0.16626%0.26CS..Hα-helixtrans-64.4-42173.3-63.7170171.1-77.1-14.7111.4Y6 E11 L138 E144 E148 I149 L150Y6-R152 PolarHBondContact O-NH2 2.77Å; E11-R152 IonicContact OE1-CZ 3.74Å; E11-R152 IonicContact OE1-NH1 3.57Å; E11-R152 PolarHBondContact OE1-NH1 3.24Å; E11-R152 IonicContact OE1-NH2 3.63Å; E11-R152 PolarHBondContact OE1-NH2 2.98Å; E11-R152 IonicContact OE2-CZ 3.52Å; E11-R152 IonicContact OE2-NH1 3.66Å; E11-R152 PolarHBondContact OE2-NH1 2.58Å; E11-R152 IonicContact OE2-NH2 2.63Å; E11-R152 PolarHBondContact OE2-NH2 2.93Å; L138-R152 HydrophobicContact CD1-CB 4.41Å; E144-R152 VanDerWaalsContact CD-NE 3.26Å; E144-R152 IonicContact OE1-CZ 3.7Å; E144-R152 IonicContact OE1-NE 3.59Å; E144-R152 PolarHBondContact OE1-NE 2.85Å; E144-R152 IonicContact OE1-NH2 2.77Å; E144-R152 PolarHBondContact OE1-NH2 3.46Å; E144-R152 IonicContact OE2-CZ 2.78Å; E144-R152 IonicContact OE2-NE 3.18Å; E144-R152 PolarHBondContact OE2-NE 3.25Å; E144-R152 IonicContact OE2-NH2 2.84Å; E148-R152 PolarHBondContact O-N 2.96Å; E148-R152 VanDerWaalsContact O-N 3.15Å; I149-R152 WeakPolarHBondContact O-CB 3.4Å; I149-R152 PolarHBondContact O-N 3.09Å; I149-R152 VanDerWaalsContact O-N 3.16Å; L150-R152 PolarHBondContact O-N 3.22Å
153Y93.3Very high90.9Very high6 Ų651.5 Ų51.52%0.02425%0.254CS..Hα-helixtrans-74.3-25-177.8-173.4-106.6000114.4I127 Q136 L138 I149 L150 R155 Y156 N157 A160 W165 L206I127-Y153 HydrophobicContact CB-CD2 4.08Å; I127-Y153 HydrophobicContact CB-CE2 3.89Å; I127-Y153 HydrophobicContact CD1-CD2 3.69Å; I127-Y153 HydrophobicContact CD1-CE2 4.38Å; I127-Y153 HydrophobicContact CD1-CG 3.88Å; I127-Y153 HydrophobicContact CG1-CD2 4.45Å; I127-Y153 HydrophobicContact CG2-CD1 4.46Å; I127-Y153 HydrophobicContact CG2-CD2 3.92Å; I127-Y153 HydrophobicContact CG2-CE1 4.17Å; I127-Y153 HydrophobicContact CG2-CE2 3.57Å; I127-Y153 HydrophobicContact CG2-CG 4.34Å; Q136-Y153 HydrophobicContact CB-CE2 4.02Å; Q136-Y153 HydrophobicContact CG-CE2 4.41Å; L138-Y153 HydrophobicContact CD1-CD2 4.15Å; I149-Y153 PolarHBondContact O-N 2.91Å; L150-Y153 CarbonylContact O-C 3.47Å; L150-Y153 WeakPolarHBondContact O-CA 3.23Å; L150-Y153 PolarHBondContact O-N 3.29Å; Y153-R155 PolarHBondContact O-N 2.96Å; Y153-Y156 HydrophobicContact CD2-CD2 4.05Å; Y153-Y156 HydrophobicContact CE2-CD2 4.44Å; Y153-Y156 PolarHBondContact O-N 2.9Å; Y153-N157 HydrophobicContact CE1-CB 3.82Å; Y153-N157 PolarHBondContact O-N 2.93Å; Y153-A160 HydrophobicContact CD1-CB 3.5Å; Y153-A160 HydrophobicContact CE1-CB 3.66Å; Y153-W165 HydrophobicContact CD1-CH2 4.37Å; Y153-W165 HydrophobicContact CD1-CZ2 4.19Å; Y153-W165 HydrophobicContact CG-CH2 4.34Å; Y153-L206 HydrophobicContact CD1-CD1 3.95Å; Y153-L206 HydrophobicContact CE1-CD1 3.21Å
154L92.4Very high91Very high45 Ų4550.9 Ų50.924%0.23625%0.254CS..THydrogen-bonded Turntrans-55.8-22.5-178.4-77.5176.3000114L150 Y156 N157 S158 A160L150-L154 HydrophobicContact CD1-CD2 4Å; L150-L154 HydrophobicContact CD1-CG 4.12Å; L150-L154 HydrophobicContact CG-CG 4.39Å; L150-L154 WeakPolarHBondContact O-CG 3.49Å; L150-L154 PolarHBondContact O-N 3.1Å; L154-Y156 PolarHBondContact O-N 3.25Å; L154-N157 WeakPolarHBondContact CA-O 3.46Å; L154-N157 WeakPolarHBondContact CD2-O 3.19Å; L154-N157 CarbonylContact O-C 3.3Å; L154-N157 VanDerWaalsContact O-C 3.3Å; L154-N157 PolarHBondContact O-N 2.69Å; L154-S158 WeakPolarHBondContact CD2-O 3.36Å; L154-S158 PolarHBondContact O-N 2.82Å; L154-A160 HydrophobicContact CD2-CB 4.25Å
155R90.8Very high91.1Very high223 Ų22351 Ų5184%0.84225%0.254SS*.THydrogen-bonded Turntrans-61.3-30.6172.7-177.6178178.7-178.70.6113.1Y153Y153-R155 PolarHBondContact O-N 2.96Å
156Y90.1Very high91.1Very high116 Ų11651.7 Ų51.746%0.45525%0.254SS..THydrogen-bonded Turntrans-91.6-34.7-179.4-58.5-81.5000111.8Q136 L138 Y153 L154Q136-Y156 VanDerWaalsContact CD-CZ 3.47Å; Q136-Y156 HydrophobicContact CG-CD1 3.99Å; Q136-Y156 HydrophobicContact CG-CD2 3.87Å; Q136-Y156 HydrophobicContact CG-CE1 3.88Å; Q136-Y156 HydrophobicContact CG-CE2 3.78Å; Q136-Y156 HydrophobicContact CG-CG 3.98Å; Q136-Y156 PolarHBondContact NE2-OH 3.43Å; L138-Y156 HydrophobicContact CD2-CD2 4.34Å; L138-Y156 HydrophobicContact CD2-CE2 3.62Å; Y153-Y156 HydrophobicContact CD2-CD2 4.05Å; Y153-Y156 HydrophobicContact CE2-CD2 4.44Å; Y153-Y156 PolarHBondContact O-N 2.9Å; L154-Y156 PolarHBondContact O-N 3.25Å
157N89.7Confident91.1Very high23 Ų2353 Ų5312%0.12326%0.26CS..  trans-144.3105.4176.4179.9-2.3000110.3Y153 L154 H159 A160Y153-N157 HydrophobicContact CE1-CB 3.82Å; Y153-N157 PolarHBondContact O-N 2.93Å; L154-N157 WeakPolarHBondContact CA-O 3.46Å; L154-N157 WeakPolarHBondContact CD2-O 3.19Å; L154-N157 CarbonylContact O-C 3.3Å; L154-N157 VanDerWaalsContact O-C 3.3Å; L154-N157 PolarHBondContact O-N 2.69Å; N157-H159 PolarHBondContact O-N 2.66Å; N157-H159 PolarHBondContact OD1-N 3.1Å; N157-A160 HydrophobicContact CB-CB 4.16Å; N157-A160 VanDerWaalsContact O-CB 3.26Å; N157-A160 WeakPolarHBondContact O-CB 3.44Å; N157-A160 PolarHBondContact O-N 3.48Å; N157-A160 VanDerWaalsContact O-N 3.11Å; N157-A160 PolarHBondContact OD1-N 2.65Å
158S88.3Confident90.9Very high84 Ų8455.7 Ų55.759%0.58727%0.274SS*.THydrogen-bonded Turntrans-62.4-22.2-18050.80000113.8L154L154-S158 WeakPolarHBondContact CD2-O 3.36Å; L154-S158 PolarHBondContact O-N 2.82Å
159H85.7Confident90.6Very high81 Ų8159 Ų5938%0.37530%0.3SS..THydrogen-bonded Turntrans-95.73.2-179.4-59.5-79.3000112.6N157 A161 S162 Y163N157-H159 PolarHBondContact O-N 2.66Å; N157-H159 PolarHBondContact OD1-N 3.1Å; H159-A161 PolarHBondContact O-N 3.45Å; H159-S162 WeakPolarHBondContact O-CB 3.43Å; H159-S162 PolarHBondContact O-N 2.9Å; H159-S162 PolarHBondContact O-OG 2.99Å; H159-Y163 HydrophobicContact CB-CE2 4.26Å; H159-Y163 VanDerWaalsContact O-CD2 3.23Å; H159-Y163 WeakPolarHBondContact O-CD2 3.14Å
160A88.4Confident90.5Very high0 Ų063.5 Ų63.50%033%0.328CS..G310 helixtrans-60.4-16.1-176.100000114.6L150 Y153 L154 N157 S162 Y163 W165L150-A160 HydrophobicContact CD1-CB 3.73Å; Y153-A160 HydrophobicContact CD1-CB 3.5Å; Y153-A160 HydrophobicContact CE1-CB 3.66Å; L154-A160 HydrophobicContact CD2-CB 4.25Å; N157-A160 HydrophobicContact CB-CB 4.16Å; N157-A160 VanDerWaalsContact O-CB 3.26Å; N157-A160 WeakPolarHBondContact O-CB 3.44Å; N157-A160 PolarHBondContact O-N 3.48Å; N157-A160 VanDerWaalsContact O-N 3.11Å; N157-A160 PolarHBondContact OD1-N 2.65Å; A160-S162 PolarHBondContact O-N 3.33Å; A160-Y163 PolarHBondContact O-N 3.27Å; A160-W165 PolarHBondContact O-NE1 3.16Å
161A88.1Confident90.5Very high70 Ų7067.9 Ų67.958%0.57935%0.351SS*.G310 helixtrans-66.8-24.3173.300000113.2L150 H159L150-A161 HydrophobicContact CD2-CB 4.06Å; H159-A161 PolarHBondContact O-N 3.45Å
162S88.6Confident90.6Very high18 Ų1862.7 Ų62.713%0.12633%0.328CS..G310 helixtrans-86.3-12.5179.4102.20000112.3H159 A160 N209 D211H159-S162 WeakPolarHBondContact O-CB 3.43Å; H159-S162 PolarHBondContact O-N 2.9Å; H159-S162 PolarHBondContact O-OG 2.99Å; A160-S162 PolarHBondContact O-N 3.33Å; S162-N209 WeakPolarHBondContact O-CB 3.23Å; S162-N209 PolarHBondContact O-ND2 3.47Å; S162-D211 WeakPolarHBondContact CB-OD1 3.4Å; S162-D211 WeakPolarHBondContact CB-OD2 3.46Å; S162-D211 PolarHBondContact OG-OD1 3.2Å; S162-D211 PolarHBondContact OG-OD2 3.48Å
163Y90.7Very high90.8Very high28 Ų2863.4 Ų63.411%0.1134%0.335CS..SBendtrans-83.3151.7-176.1-73.1-125.7000111.2H159 A160 L206 Y207 F208H159-Y163 HydrophobicContact CB-CE2 4.26Å; H159-Y163 VanDerWaalsContact O-CD2 3.23Å; H159-Y163 WeakPolarHBondContact O-CD2 3.14Å; A160-Y163 PolarHBondContact O-N 3.27Å; Y163-L206 HydrophobicContact CD1-CB 3.84Å; Y163-L206 HydrophobicContact CG-CB 4.49Å; Y163-Y207 CarbonylContact C-O 3.59Å; Y163-Y207 WeakPolarHBondContact CA-O 3.42Å; Y163-F208 HydrophobicContact CD1-CB 4.17Å; Y163-F208 HydrophobicContact CD2-CD2 4.34Å; Y163-F208 HydrophobicContact CE1-CB 3.78Å; Y163-F208 HydrophobicContact CE1-CD2 4.04Å; Y163-F208 HydrophobicContact CE1-CG 4.41Å; Y163-F208 AromaticContact CE2-CD2 3.69Å; Y163-F208 HydrophobicContact CE2-CD2 3.69Å; Y163-F208 HydrophobicContact CE2-CE2 4.33Å; Y163-F208 AromaticContact CZ-CD2 3.52Å
164T92.5Very high90.7Very high36 Ų3665.1 Ų65.122%0.22134%0.344CS..EExtended strand (participates in β ladder)trans-87.8120.7170.3-570000110.2K166 Y207 N209T164-K166 HydrophobicContact CG2-CG 4.07Å; T164-Y207 PolarHBondContact N-O 3.36Å; T164-Y207 PolarHBondContact O-N 3.02Å; T164-N209 PolarHBondContact N-ND2 3.36Å; T164-N209 VanDerWaalsContact OG1-CG 3.29Å; T164-N209 PolarHBondContact OG1-ND2 2.95Å; T164-N209 PolarHBondContact OG1-OD1 2.84Å
165W94.6Very high90.8Very high7 Ų766.5 Ų66.53%0.02736%0.357CS..EExtended strand (participates in β ladder)trans-87.9127.1178.4-67.856.3000110.1I127 L146 I149 L150 Y153 A160 L172 M174 I204 L206I127-W165 HydrophobicContact CD1-CH2 3.57Å; I127-W165 HydrophobicContact CD1-CZ3 3.61Å; I127-W165 HydrophobicContact CG1-CZ3 4.44Å; L146-W165 HydrophobicContact CD2-CE3 3.83Å; L146-W165 HydrophobicContact CD2-CZ3 4.15Å; I149-W165 HydrophobicContact CG2-CH2 4.35Å; I149-W165 HydrophobicContact CG2-CZ3 4.04Å; L150-W165 HydrophobicContact CB-CH2 4.21Å; L150-W165 HydrophobicContact CB-CZ2 3.87Å; L150-W165 HydrophobicContact CD1-CZ2 3.55Å; L150-W165 HydrophobicContact CG-CZ2 4.29Å; Y153-W165 HydrophobicContact CD1-CH2 4.37Å; Y153-W165 HydrophobicContact CD1-CZ2 4.19Å; Y153-W165 HydrophobicContact CG-CH2 4.34Å; A160-W165 PolarHBondContact O-NE1 3.16Å; W165-L172 HydrophobicContact CB-CB 4.44Å; W165-L172 HydrophobicContact CB-CD1 4.32Å; W165-L172 PolarHBondContact O-N 2.93Å; W165-M174 HydrophobicContact CB-SD 4.05Å; W165-M174 HydrophobicContact CD2-CE 4.14Å; W165-M174 HydrophobicContact CD2-SD 4.29Å; W165-M174 HydrophobicContact CG-CE 4.23Å; W165-M174 HydrophobicContact CG-SD 3.86Å; W165-I204 HydrophobicContact CB-CG2 4.39Å; W165-I204 HydrophobicContact CE3-CG2 3.79Å; W165-I204 HydrophobicContact CZ3-CG2 4.48Å; W165-L206 HydrophobicContact CB-CD2 4.31Å; W165-L206 HydrophobicContact CD2-CD2 3.29Å; W165-L206 HydrophobicContact CE3-CD2 3.86Å; W165-L206 HydrophobicContact CG-CD2 3.51Å; W165-L206 HydrophobicContact CH2-CD2 4.29Å; W165-L206 HydrophobicContact CZ2-CD2 3.78Å; W165-L206 HydrophobicContact CZ3-CD2 4.32Å
166K94.1Very high90.9Very high51 Ų5159.9 Ų59.922%0.22233%0.334CS..EExtended strand (participates in β ladder)trans-135.7146.5-179-53-166.9-168.5-170.30112.7T164 V170 N171 C205 Y207T164-K166 HydrophobicContact CG2-CG 4.07Å; K166-V170 CarbonylContact C-O 3.57Å; K166-V170 WeakPolarHBondContact CA-O 3.4Å; K166-V170 WeakPolarHBondContact CB-O 3.4Å; K166-N171 VanDerWaalsContact CD-OD1 3.29Å; K166-N171 WeakPolarHBondContact CD-OD1 3.38Å; K166-N171 WeakPolarHBondContact CE-OD1 3.49Å; K166-N171 WeakPolarHBondContact CG-OD1 3.47Å; K166-N171 PolarHBondContact NZ-OD1 3.48Å; K166-C205 PolarHBondContact N-O 3.22Å; K166-C205 PolarHBondContact O-N 3.07Å; K166-Y207 HydrophobicContact CB-CD2 4.17Å; K166-Y207 HydrophobicContact CB-CE2 3.95Å; K166-Y207 HydrophobicContact CD-CD2 3.66Å; K166-Y207 HydrophobicContact CD-CE2 3.67Å; K166-Y207 HydrophobicContact CD-CG 4.47Å; K166-Y207 HydrophobicContact CG-CD2 3.77Å; K166-Y207 HydrophobicContact CG-CE2 3.95Å
167H92.5Very high91.1Very high27 Ų2755.4 Ų55.413%0.12532%0.319CS..EExtended strand (participates in β ladder)trans-126.5132.3168-178.7-95.2000107.9C169 V170 L172 I183 S203H167-C169 PolarHBondContact O-N 3.31Å; H167-C169 VanDerWaalsContact O-N 3.12Å; H167-V170 PolarHBondContact N-O 3.43Å; H167-V170 WeakPolarHBondContact O-CB 3.39Å; H167-V170 PolarHBondContact O-N 3.3Å; H167-L172 HydrophobicContact CB-CD1 4.14Å; H167-L172 HydrophobicContact CB-CD2 3.85Å; H167-L172 HydrophobicContact CB-CG 4.27Å; H167-I183 HydrophobicContact CB-CD1 3.72Å; H167-I183 HydrophobicContact CB-CG1 4.17Å; H167-S203 PolarHBondContact CD2-O 2.66Å
168D88Confident91.2Very high132 Ų13254.4 Ų54.471%0.70631%0.314SS*.THydrogen-bonded Turntrans47.143.1-177.8-66.2-29.6000114.4V170D168-V170 PolarHBondContact O-N 2.93Å; D168-V170 VanDerWaalsContact O-N 3.16Å
169C85.1Confident91.4Very high109 Ų10957.7 Ų57.774%0.73632%0.32SS*.THydrogen-bonded Turntrans65.44.7-176.5-550000116H167H167-C169 PolarHBondContact O-N 3.31Å; H167-C169 VanDerWaalsContact O-N 3.12Å
170V92.8Very high91.7Very high96 Ų9659.8 Ų59.858%0.58233%0.33SS*.EExtended strand (participates in β ladder)trans-94.9134.5175.3-176.90000109.9K166 H167 D168K166-V170 CarbonylContact C-O 3.57Å; K166-V170 WeakPolarHBondContact CA-O 3.4Å; K166-V170 WeakPolarHBondContact CB-O 3.4Å; H167-V170 PolarHBondContact N-O 3.43Å; H167-V170 WeakPolarHBondContact O-CB 3.39Å; H167-V170 PolarHBondContact O-N 3.3Å; D168-V170 PolarHBondContact O-N 2.93Å; D168-V170 VanDerWaalsContact O-N 3.16Å
171N93.1Very high91.9Very high101 Ų10161.4 Ų61.454%0.5434%0.338SS..EExtended strand (participates in β ladder)trans-69.7131.5174.8-68.1-9.3000110.1K166K166-N171 VanDerWaalsContact CD-OD1 3.29Å; K166-N171 WeakPolarHBondContact CD-OD1 3.38Å; K166-N171 WeakPolarHBondContact CE-OD1 3.49Å; K166-N171 WeakPolarHBondContact CG-OD1 3.47Å; K166-N171 PolarHBondContact NZ-OD1 3.48Å
172L94.1Very high92Very high19 Ų1960.7 Ų60.710%0.09934%0.338CS..PPolyproline II helixtrans-88143.9178.8-59.5171.8000111.2L146 W165 H167 N181 I183 I204L146-L172 HydrophobicContact CD1-CB 3.41Å; L146-L172 VanDerWaalsContact CD1-CB 3.41Å; L146-L172 HydrophobicContact CD1-CD1 3.9Å; L146-L172 HydrophobicContact CD1-CG 4.14Å; L146-L172 HydrophobicContact CD2-CD1 4.4Å; W165-L172 HydrophobicContact CB-CB 4.44Å; W165-L172 HydrophobicContact CB-CD1 4.32Å; W165-L172 PolarHBondContact O-N 2.93Å; H167-L172 HydrophobicContact CB-CD1 4.14Å; H167-L172 HydrophobicContact CB-CD2 3.85Å; H167-L172 HydrophobicContact CB-CG 4.27Å; L172-N181 HydrophobicContact CD2-CB 3.74Å; L172-I183 HydrophobicContact CD1-CD1 4.17Å; L172-I183 HydrophobicContact CD2-CD1 3.9Å; L172-I183 HydrophobicContact CD2-CG1 4.43Å; L172-I204 HydrophobicContact CD1-CD1 4.14Å; L172-I204 HydrophobicContact CD1-CG1 4.25Å; L172-I204 HydrophobicContact CD1-CG2 3.68Å
173D93.8Very high92.1Very high60 Ų6060 Ų6032%0.32133%0.333SS..  trans-87.2114.9173.1-175.3-18.3000109.7S175 K176 N181D173-S175 PolarHBondContact O-N 2.85Å; D173-S175 WeakPolarHBondContact OD1-CB 3.45Å; D173-S175 PolarHBondContact OD1-N 2.97Å; D173-S175 PolarHBondContact OD1-OG 3.16Å; D173-S175 PolarHBondContact OD2-OG 3.33Å; D173-K176 HydrophobicContact CB-CB 4.27Å; D173-K176 HydrophobicContact CB-CD 3.91Å; D173-K176 HydrophobicContact CB-CG 4.12Å; D173-K176 PolarHBondContact O-N 2.85Å; D173-K176 VanDerWaalsContact O-N 3.14Å; D173-K176 WeakPolarHBondContact OD2-CE 3.3Å; D173-K176 IonicContact OD2-NZ 2.71Å; D173-N181 PolarHBondContact N-OD1 2.82Å; D173-N181 PolarHBondContact O-ND2 2.86Å
174M91.8Very high91.9Very high42 Ų4261.8 Ų61.821%0.20735%0.348CS..THydrogen-bonded Turntrans-64.1-21.3-176.4-59.3-55.7-67.600113.7L146 N147 L150 W165 K176L146-M174 HydrophobicContact CB-CE 4.03Å; L146-M174 HydrophobicContact CB-SD 4Å; L146-M174 WeakPolarHBondContact O-CE 3.43Å; N147-M174 VanDerWaalsContact CG-O 3.27Å; N147-M174 PolarHBondContact N-O 3.43Å; N147-M174 PolarHBondContact ND2-O 3.03Å; N147-M174 WeakPolarHBondContact OD1-CB 3.38Å; L150-M174 HydrophobicContact CB-CE 3.86Å; L150-M174 HydrophobicContact CD2-CE 4.01Å; W165-M174 HydrophobicContact CB-SD 4.05Å; W165-M174 HydrophobicContact CD2-CE 4.14Å; W165-M174 HydrophobicContact CD2-SD 4.29Å; W165-M174 HydrophobicContact CG-CE 4.23Å; W165-M174 HydrophobicContact CG-SD 3.86Å; M174-K176 VanDerWaalsContact C-N 3.33Å
175S93.5Very high91.5Very high74 Ų7462.5 Ų62.552%0.51735%0.35SS..THydrogen-bonded Turntrans-81.6-12.7179.269.20000114T145 D173T145-S175 WeakPolarHBondContact CG2-O 3.5Å; D173-S175 PolarHBondContact O-N 2.85Å; D173-S175 WeakPolarHBondContact OD1-CB 3.45Å; D173-S175 PolarHBondContact OD1-N 2.97Å; D173-S175 PolarHBondContact OD1-OG 3.16Å; D173-S175 PolarHBondContact OD2-OG 3.33Å
176K93.9Very high90.8Very high83 Ų8365.4 Ų65.436%0.36137%0.365SS..SBendtrans-102.9159.9-174.7-70.8-177.1-171.1166.90112.1T145 L146 D173 M174 E180 N181T145-K176 WeakPolarHBondContact CA-O 3.08Å; L146-K176 PolarHBondContact N-O 3.12Å; D173-K176 HydrophobicContact CB-CB 4.27Å; D173-K176 HydrophobicContact CB-CD 3.91Å; D173-K176 HydrophobicContact CB-CG 4.12Å; D173-K176 PolarHBondContact O-N 2.85Å; D173-K176 VanDerWaalsContact O-N 3.14Å; D173-K176 WeakPolarHBondContact OD2-CE 3.3Å; D173-K176 IonicContact OD2-NZ 2.71Å; M174-K176 VanDerWaalsContact C-N 3.33Å; K176-E180 VanDerWaalsContact CA-OE2 3.3Å; K176-E180 WeakPolarHBondContact CA-OE2 3.46Å; K176-E180 HydrophobicContact CB-CB 3.88Å; K176-E180 WeakPolarHBondContact CB-OE2 3Å; K176-E180 HydrophobicContact CD-CB 4.18Å; K176-E180 HydrophobicContact CG-CB 4.29Å; K176-N181 VanDerWaalsContact CB-ND2 3.29Å; K176-N181 WeakPolarHBondContact CB-ND2 3.39Å; K176-N181 PolarHBondContact O-ND2 2.88Å
177T93.9Very high90Very high22 Ų2264.2 Ų64.214%0.13536%0.36CS..BIsolated β-bridgetrans-73.9172172.3710000111.3E144 E179 E180 N181E144-T177 WeakPolarHBondContact O-CA 3.36Å; T177-E179 VanDerWaalsContact C-N 3.33Å; T177-E180 PolarHBondContact N-OE2 3.02Å; T177-E180 PolarHBondContact O-N 2.97Å; T177-E180 WeakPolarHBondContact OG1-CG 3.47Å; T177-E180 PolarHBondContact OG1-N 3.49Å; T177-N181 WeakPolarHBondContact O-CB 3.29Å; T177-N181 PolarHBondContact O-N 2.8Å; T177-N181 VanDerWaalsContact O-N 3.13Å; T177-N181 PolarHBondContact O-ND2 2.91Å
178L92.1Very high89.2Confident2 Ų268.4 Ų68.41%0.0138%0.38CS..THydrogen-bonded Turntrans-60.8-43.1175-67.7174.6000111.9I125 V140 L146 I149 N181 G182 I183 I204I125-L178 HydrophobicContact CG2-CD1 3.92Å; V140-L178 HydrophobicContact CG2-CD1 3.89Å; L146-L178 HydrophobicContact CD2-CD2 4.1Å; L146-L178 HydrophobicContact CG-CD2 4.42Å; I149-L178 HydrophobicContact CD1-CD1 3.89Å; I149-L178 HydrophobicContact CD1-CD2 3.9Å; I149-L178 HydrophobicContact CD1-CG 3.77Å; L178-N181 PolarHBondContact O-N 2.77Å; L178-G182 PolarHBondContact O-N 2.92Å; L178-I183 CarbonylContact C-O 3.57Å; L178-I183 HydrophobicContact CB-CB 4.34Å; L178-I183 HydrophobicContact CD2-CD1 4Å; L178-I183 WeakPolarHBondContact O-CA 3.42Å; L178-I183 WeakPolarHBondContact O-CB 3.3Å; L178-I183 PolarHBondContact O-N 3.14Å; L178-I204 HydrophobicContact CD2-CD1 3.81Å
179E91.9Very high88.7Confident154 Ų15466.9 Ų66.972%0.7237%0.372SS*.THydrogen-bonded Turntrans-65.2-43.4-180-173.1174.4-169.200111.7T177 N181 G182T177-E179 VanDerWaalsContact C-N 3.33Å; E179-N181 PolarHBondContact O-N 2.91Å; E179-G182 WeakPolarHBondContact O-CA 3.34Å; E179-G182 PolarHBondContact O-N 2.74Å
180E92.6Very high88.4Confident125 Ų12562.1 Ų62.158%0.58434%0.339SS*.THydrogen-bonded Turntrans-66.3-25.5177.4-71.1176.7159.200113.4K176 T177K176-E180 VanDerWaalsContact CA-OE2 3.3Å; K176-E180 WeakPolarHBondContact CA-OE2 3.46Å; K176-E180 HydrophobicContact CB-CB 3.88Å; K176-E180 WeakPolarHBondContact CB-OE2 3Å; K176-E180 HydrophobicContact CD-CB 4.18Å; K176-E180 HydrophobicContact CG-CB 4.29Å; T177-E180 PolarHBondContact N-OE2 3.02Å; T177-E180 PolarHBondContact O-N 2.97Å; T177-E180 WeakPolarHBondContact OG1-CG 3.47Å; T177-E180 PolarHBondContact OG1-N 3.49Å
181N92.8Very high87.7Confident33 Ų3365.6 Ų65.618%0.17634%0.343CS..THydrogen-bonded Turntrans-82.23.3171.5-82.2-69.4000113.4L146 L172 D173 K176 T177 L178 E179L146-N181 WeakPolarHBondContact CD1-ND2 3.49Å; L172-N181 HydrophobicContact CD2-CB 3.74Å; D173-N181 PolarHBondContact N-OD1 2.82Å; D173-N181 PolarHBondContact O-ND2 2.86Å; K176-N181 VanDerWaalsContact CB-ND2 3.29Å; K176-N181 WeakPolarHBondContact CB-ND2 3.39Å; K176-N181 PolarHBondContact O-ND2 2.88Å; T177-N181 WeakPolarHBondContact O-CB 3.29Å; T177-N181 PolarHBondContact O-N 2.8Å; T177-N181 VanDerWaalsContact O-N 3.13Å; T177-N181 PolarHBondContact O-ND2 2.91Å; L178-N181 PolarHBondContact O-N 2.77Å; E179-N181 PolarHBondContact O-N 2.91Å
182G89.5Confident87.1Confident56 Ų5666.2 Ų66.258%0.57735%0.346SS*.THydrogen-bonded Turntrans80.422179.200000114L178 E179 P184L178-G182 PolarHBondContact O-N 2.92Å; E179-G182 WeakPolarHBondContact O-CA 3.34Å; E179-G182 PolarHBondContact O-N 2.74Å; G182-P184 WeakPolarHBondContact O-CD 3.15Å
183I90.3Very high86.5Confident2 Ų269.2 Ų69.21%0.0137%0.365CS..  trans-101.989.8173.7-48.5-179.8000108.2R123 H167 L172 L178 Q202 I204R123-I183 PolarHBondContact NH1-O 3.5Å; H167-I183 HydrophobicContact CB-CD1 3.72Å; H167-I183 HydrophobicContact CB-CG1 4.17Å; L172-I183 HydrophobicContact CD1-CD1 4.17Å; L172-I183 HydrophobicContact CD2-CD1 3.9Å; L172-I183 HydrophobicContact CD2-CG1 4.43Å; L178-I183 CarbonylContact C-O 3.57Å; L178-I183 HydrophobicContact CB-CB 4.34Å; L178-I183 HydrophobicContact CD2-CD1 4Å; L178-I183 WeakPolarHBondContact O-CA 3.42Å; L178-I183 WeakPolarHBondContact O-CB 3.3Å; L178-I183 PolarHBondContact O-N 3.14Å; I183-Q202 HydrophobicContact CG2-CB 3.96Å; I183-Q202 HydrophobicContact CG2-CG 4.02Å; I183-I204 HydrophobicContact CD1-CD1 4.23Å; I183-I204 HydrophobicContact CD1-CG1 4.27Å
184P87.1Confident85.9Confident67 Ų6777.2 Ų77.244%0.43539%0.391SS..  trans-65.1161-176.329.7-36.2000111.6R123 G182 E186R123-P184 PolarHBondContact NH1-O 2.84Å; R123-P184 PolarHBondContact NH2-O 3.35Å; G182-P184 WeakPolarHBondContact O-CD 3.15Å; P184-E186 HydrophobicContact CG-CG 4.27Å
185D84.9Confident85.1Confident50 Ų5078.9 Ų78.927%0.26740%0.399SS..  trans-93.7106.9171.1178.87.7000109.5K121 D187K121-D185 VanDerWaalsContact CD-OD2 3.22Å; K121-D185 WeakPolarHBondContact CD-OD2 3.42Å; K121-D185 WeakPolarHBondContact CE-OD2 3.4Å; K121-D185 IonicContact NZ-OD1 2.71Å; K121-D185 IonicContact NZ-OD2 3.84Å; K121-D185 PolarHBondContact NZ-OD2 3.34Å; D185-D187 WeakPolarHBondContact OD1-CB 3.35Å; D185-D187 PolarHBondContact OD1-N 2.85Å
186E80.3Confident84.1Confident69 Ų6979.3 Ų79.332%0.32240%0.396SS..  trans-959.2-173-62.6175.4164.200112.8P184 E188 D189 F190 Q202P184-E186 HydrophobicContact CG-CG 4.27Å; E186-E188 VanDerWaalsContact C-N 3.29Å; E186-E188 PolarHBondContact O-N 3.3Å; E186-D189 PolarHBondContact O-N 3.48Å; E186-D189 VanDerWaalsContact O-N 3.09Å; E186-F190 HydrophobicContact CB-CD2 4Å; E186-F190 HydrophobicContact CB-CE2 3.5Å; E186-F190 HydrophobicContact CB-CZ 3.8Å; E186-F190 WeakPolarHBondContact O-CD2 3.4Å; E186-F190 WeakPolarHBondContact O-CG 3.45Å; E186-F190 PolarHBondContact O-N 3.43Å; E186-F190 VanDerWaalsContact OE2-CZ 3.3Å; E186-F190 WeakPolarHBondContact OE2-CZ 3.23Å; E186-Q202 PolarHBondContact OE2-NE2 2.85Å
187D76.3Confident82.9Confident25 Ų2580.4 Ų80.413%0.13440%0.397CS..Hα-helixtrans-57.6-37.2-173.7-102.917.1000114.6D185 Y191 R197D185-D187 WeakPolarHBondContact OD1-CB 3.35Å; D185-D187 PolarHBondContact OD1-N 2.85Å; D187-Y191 PolarHBondContact O-N 2.97Å; D187-Y191 VanDerWaalsContact O-N 3.1Å; D187-R197 PolarHBondContact O-NH2 3.36Å; D187-R197 IonicContact OD1-CZ 3.79Å; D187-R197 IonicContact OD1-NH1 2.77Å; D187-R197 IonicContact OD2-CZ 2.66Å; D187-R197 IonicContact OD2-NH1 3.18Å; D187-R197 PolarHBondContact OD2-NH1 3.27Å; D187-R197 IonicContact OD2-NH2 3.67Å
188E76.3Confident81.6Confident115 Ų11585.5 Ų85.554%0.53742%0.424SS..Hα-helixtrans-70.6-41.1177.7-72.1-65145.100111.1E186 Y191 N192E186-E188 VanDerWaalsContact C-N 3.29Å; E186-E188 PolarHBondContact O-N 3.3Å; E188-Y191 PolarHBondContact O-N 2.84Å; E188-N192 WeakPolarHBondContact O-CB 3.44Å; E188-N192 VanDerWaalsContact O-CG 3.29Å; E188-N192 PolarHBondContact O-N 2.93Å; E188-N192 PolarHBondContact O-ND2 3.48Å
189D76.8Confident80.3Confident101 Ų10190.9 Ų90.954%0.5445%0.452SS..Hα-helixtrans-66.6-42.1177.6-69.3-31.1000110.8E186 Y191 N192 T193E186-D189 PolarHBondContact O-N 3.48Å; E186-D189 VanDerWaalsContact O-N 3.09Å; D189-Y191 VanDerWaalsContact C-N 3.33Å; D189-Y191 PolarHBondContact O-N 2.9Å; D189-N192 PolarHBondContact O-N 2.96Å; D189-T193 WeakPolarHBondContact O-CB 3.46Å; D189-T193 VanDerWaalsContact O-CG2 3.3Å; D189-T193 WeakPolarHBondContact O-CG2 3.48Å; D189-T193 PolarHBondContact O-N 3.11Å; D189-T193 PolarHBondContact O-OG1 3.35Å
190F79.1Confident79.2Confident9 Ų988.7 Ų88.74%0.03944%0.44CS..Hα-helixtrans-59.3-43.1173.1-66.4-47.1000112.1E186 T193 R194 M195 R197 F200E186-F190 HydrophobicContact CB-CD2 4Å; E186-F190 HydrophobicContact CB-CE2 3.5Å; E186-F190 HydrophobicContact CB-CZ 3.8Å; E186-F190 WeakPolarHBondContact O-CD2 3.4Å; E186-F190 WeakPolarHBondContact O-CG 3.45Å; E186-F190 PolarHBondContact O-N 3.43Å; E186-F190 VanDerWaalsContact OE2-CZ 3.3Å; E186-F190 WeakPolarHBondContact OE2-CZ 3.23Å; F190-T193 PolarHBondContact O-N 2.98Å; F190-T193 PolarHBondContact O-OG1 3.5Å; F190-R194 WeakPolarHBondContact O-CA 3.26Å; F190-R194 PolarHBondContact O-N 3.14Å; F190-M195 HydrophobicContact CB-CB 4.4Å; F190-M195 HydrophobicContact CD1-CB 3.68Å; F190-M195 HydrophobicContact CD1-CE 3.62Å; F190-M195 HydrophobicContact CD1-CG 4.5Å; F190-M195 HydrophobicContact CD1-SD 4.2Å; F190-M195 HydrophobicContact CE1-CE 3.91Å; F190-M195 HydrophobicContact CE1-SD 4.33Å; F190-M195 HydrophobicContact CG-CB 4.48Å; F190-M195 PolarHBondContact O-N 3.36Å; F190-R197 HydrophobicContact CB-CG 4.15Å; F190-R197 HydrophobicContact CD2-CG 4.43Å; F190-F200 HydrophobicContact CD1-CB 4.26Å; F190-F200 HydrophobicContact CE1-CB 3.39Å; F190-F200 HydrophobicContact CE1-CG 4.15Å; F190-F200 HydrophobicContact CZ-CB 3.56Å; F190-F200 WeakPolarHBondContact CZ-O 3.15Å
191Y77Confident78.5Confident169 Ų16983.4 Ų83.466%0.66342%0.417SS*.Hα-helixtrans-61.5-48.2177.2-177.1-96.2000111.8D187 E188 D189 T193 R194D187-Y191 PolarHBondContact O-N 2.97Å; D187-Y191 VanDerWaalsContact O-N 3.1Å; E188-Y191 PolarHBondContact O-N 2.84Å; D189-Y191 VanDerWaalsContact C-N 3.33Å; D189-Y191 PolarHBondContact O-N 2.9Å; Y191-T193 VanDerWaalsContact C-N 3.33Å; Y191-T193 PolarHBondContact O-N 3.18Å; Y191-R194 PolarHBondContact O-N 2.8Å
192N81.2Confident78.2Confident113 Ų11382.6 Ų82.660%0.60441%0.412SS*.Hα-helixtrans-64.9-37.5-179-71.8-37.6000112.6E188 D189E188-N192 WeakPolarHBondContact O-CB 3.44Å; E188-N192 VanDerWaalsContact O-CG 3.29Å; E188-N192 PolarHBondContact O-N 2.93Å; E188-N192 PolarHBondContact O-ND2 3.48Å; D189-N192 PolarHBondContact O-N 2.96Å
193T82Confident78.2Confident82 Ų8281.7 Ų81.750%0.50340%0.397SS..Hα-helixtrans-87.5-5.4-179.557.90000114D189 F190 Y191 M195D189-T193 WeakPolarHBondContact O-CB 3.46Å; D189-T193 VanDerWaalsContact O-CG2 3.3Å; D189-T193 WeakPolarHBondContact O-CG2 3.48Å; D189-T193 PolarHBondContact O-N 3.11Å; D189-T193 PolarHBondContact O-OG1 3.35Å; F190-T193 PolarHBondContact O-N 2.98Å; F190-T193 PolarHBondContact O-OG1 3.5Å; Y191-T193 VanDerWaalsContact C-N 3.33Å; Y191-T193 PolarHBondContact O-N 3.18Å; T193-M195 HydrophobicContact CG2-CE 4.17Å; T193-M195 PolarHBondContact O-N 3.34Å; T193-M195 WeakPolarHBondContact OG1-CE 3.22Å; T193-M195 WeakPolarHBondContact OG1-CG 3.31Å
194R79.9Confident78.4Confident228 Ų22881.7 Ų81.786%0.8640%0.397SS*.THydrogen-bonded Turntrans54.634.6-173.1-55.8-179178.4-176.6-1113.1F190 Y191F190-R194 WeakPolarHBondContact O-CA 3.26Å; F190-R194 PolarHBondContact O-N 3.14Å; Y191-R194 PolarHBondContact O-N 2.8Å
195M75.6Confident78.7Confident78 Ų7880 Ų8038%0.38439%0.386SS..  trans-77.9148.2173.4-79.4-166.4-76.800110.7F190 T193 R197 F200F190-M195 HydrophobicContact CB-CB 4.4Å; F190-M195 HydrophobicContact CD1-CB 3.68Å; F190-M195 HydrophobicContact CD1-CE 3.62Å; F190-M195 HydrophobicContact CD1-CG 4.5Å; F190-M195 HydrophobicContact CD1-SD 4.2Å; F190-M195 HydrophobicContact CE1-CE 3.91Å; F190-M195 HydrophobicContact CE1-SD 4.33Å; F190-M195 HydrophobicContact CG-CB 4.48Å; F190-M195 PolarHBondContact O-N 3.36Å; T193-M195 HydrophobicContact CG2-CE 4.17Å; T193-M195 PolarHBondContact O-N 3.34Å; T193-M195 WeakPolarHBondContact OG1-CE 3.22Å; T193-M195 WeakPolarHBondContact OG1-CG 3.31Å; M195-R197 PolarHBondContact O-N 3.34Å; M195-F200 HydrophobicContact CB-CD2 4.19Å; M195-F200 HydrophobicContact CB-CE2 4.46Å; M195-F200 HydrophobicContact CG-CE2 4.44Å; M195-F200 HydrophobicContact SD-CD2 4.29Å; M195-F200 HydrophobicContact SD-CE2 4.29Å
196D73.4Confident79.1Confident83 Ų8377.6 Ų77.644%0.44437%0.373SS..  trans-77.1114.7178.4-168.5-24.1000110.4D198 L199 F200D196-D198 PolarHBondContact O-N 3.38Å; D196-D198 PolarHBondContact OD1-N 3.43Å; D196-L199 HydrophobicContact CB-CB 4.27Å; D196-L199 HydrophobicContact CB-CD1 3.93Å; D196-L199 HydrophobicContact CB-CG 4.09Å; D196-L199 PolarHBondContact O-N 3.38Å; D196-F200 VanDerWaalsContact O-CD2 3.31Å; D196-F200 WeakPolarHBondContact O-CD2 3.35Å; D196-F200 PolarHBondContact O-N 2.99Å
197R67.8Low79.6Confident106 Ų10678.3 Ų78.340%0.437%0.374SS..Hα-helixtrans-62.2-29.2-178-65-175.7177.7-155.5-10112.6D187 F190 M195 L199 S201D187-R197 PolarHBondContact O-NH2 3.36Å; D187-R197 IonicContact OD1-CZ 3.79Å; D187-R197 IonicContact OD1-NH1 2.77Å; D187-R197 IonicContact OD2-CZ 2.66Å; D187-R197 IonicContact OD2-NH1 3.18Å; D187-R197 PolarHBondContact OD2-NH1 3.27Å; D187-R197 IonicContact OD2-NH2 3.67Å; F190-R197 HydrophobicContact CB-CG 4.15Å; F190-R197 HydrophobicContact CD2-CG 4.43Å; M195-R197 PolarHBondContact O-N 3.34Å; R197-L199 VanDerWaalsContact C-N 3.34Å; R197-S201 WeakPolarHBondContact O-CB 3.42Å; R197-S201 PolarHBondContact O-N 2.76Å; R197-S201 VanDerWaalsContact O-N 3.12Å
198D66.9Low80.1Confident129 Ų12981.4 Ų81.469%0.6939%0.386SS*.Hα-helixtrans-72.8-33.2-178.3-66.5-17.6000110.9D196 S201D196-D198 PolarHBondContact O-N 3.38Å; D196-D198 PolarHBondContact OD1-N 3.43Å; D198-S201 PolarHBondContact O-OG 3.43Å
199L65.3Low80.6Confident114 Ų11478.9 Ų78.960%0.59738%0.377SS*.Hα-helixtrans-79.1-34-179.7-65.4178000113R126 D196 R197R126-L199 PolarHBondContact NH2-O 3.23Å; D196-L199 HydrophobicContact CB-CB 4.27Å; D196-L199 HydrophobicContact CB-CD1 3.93Å; D196-L199 HydrophobicContact CB-CG 4.09Å; D196-L199 PolarHBondContact O-N 3.38Å; R197-L199 VanDerWaalsContact C-N 3.34Å
200F69.3Low80.5Confident108 Ų10881.4 Ų81.447%0.47439%0.39SS..Hα-helixtrans-108.38.6-171.8-64.4-75.8000114.6F190 M195 D196 Q202F190-F200 HydrophobicContact CD1-CB 4.26Å; F190-F200 HydrophobicContact CE1-CB 3.39Å; F190-F200 HydrophobicContact CE1-CG 4.15Å; F190-F200 HydrophobicContact CZ-CB 3.56Å; F190-F200 WeakPolarHBondContact CZ-O 3.15Å; M195-F200 HydrophobicContact CB-CD2 4.19Å; M195-F200 HydrophobicContact CB-CE2 4.46Å; M195-F200 HydrophobicContact CG-CE2 4.44Å; M195-F200 HydrophobicContact SD-CD2 4.29Å; M195-F200 HydrophobicContact SD-CE2 4.29Å; D196-F200 VanDerWaalsContact O-CD2 3.31Å; D196-F200 WeakPolarHBondContact O-CD2 3.35Å; D196-F200 PolarHBondContact O-N 2.99Å; F200-Q202 PolarHBondContact O-N 3.27Å
201S77.6Confident79.8Confident14 Ų1483.6 Ų83.610%0.09840%0.402CS..  trans-55.5135.8174.951.70000111.9R126 R197 D198R126-S201 VanDerWaalsContact CD-OG 3.22Å; R126-S201 WeakPolarHBondContact CD-OG 3.01Å; R126-S201 WeakPolarHBondContact CG-OG 3.39Å; R126-S201 VanDerWaalsContact CZ-O 3.28Å; R126-S201 PolarHBondContact NE-O 3Å; R126-S201 PolarHBondContact NE-OG 3.39Å; R126-S201 PolarHBondContact NH2-O 2.98Å; R197-S201 WeakPolarHBondContact O-CB 3.42Å; R197-S201 PolarHBondContact O-N 2.76Å; R197-S201 VanDerWaalsContact O-N 3.12Å; D198-S201 PolarHBondContact O-OG 3.43Å
202Q85.5Confident79Confident17 Ų1783.6 Ų83.68%0.07941%0.413CS..  trans-63.6141.7-177.6-6280.731.900110.6R126 I183 E186 F200R126-Q202 PolarHBondContact N-O 3.12Å; I183-Q202 HydrophobicContact CG2-CB 3.96Å; I183-Q202 HydrophobicContact CG2-CG 4.02Å; E186-Q202 PolarHBondContact OE2-NE2 2.85Å; F200-Q202 PolarHBondContact O-N 3.27Å
203S90.1Very high77.9Confident37 Ų3781.9 Ų81.926%0.25941%0.406SS..EExtended strand (participates in β ladder)trans-115.5131.3-174.958.80000112.4R126 H167R126-S203 CarbonylContact O-C 3.59Å; R126-S203 WeakPolarHBondContact O-CA 3.44Å; H167-S203 PolarHBondContact CD2-O 2.66Å
204I93.6Very high76.5Confident2 Ų286.7 Ų86.71%0.0142%0.423CS..EExtended strand (participates in β ladder)trans-108.5124.6174-58178.3000108.2I125 R126 I127 I128 L146 W165 L172 L178 I183I125-I204 HydrophobicContact CD1-CD1 4.09Å; R126-I204 PolarHBondContact O-N 2.83Å; I127-I204 WeakPolarHBondContact CA-O 3.48Å; I128-I204 PolarHBondContact N-O 3.02Å; L146-I204 HydrophobicContact CD2-CD1 4.07Å; W165-I204 HydrophobicContact CB-CG2 4.39Å; W165-I204 HydrophobicContact CE3-CG2 3.79Å; W165-I204 HydrophobicContact CZ3-CG2 4.48Å; L172-I204 HydrophobicContact CD1-CD1 4.14Å; L172-I204 HydrophobicContact CD1-CG1 4.25Å; L172-I204 HydrophobicContact CD1-CG2 3.68Å; L178-I204 HydrophobicContact CD2-CD1 3.81Å; I183-I204 HydrophobicContact CD1-CD1 4.23Å; I183-I204 HydrophobicContact CD1-CG1 4.27Å
205C93.3Very high74.8Confident30 Ų3086.8 Ų86.820%0.20344%0.439CS..EExtended strand (participates in β ladder)trans-95.1130.2-179.9-680000110.6I128 T130 K166 Y207I128-C205 CarbonylContact O-C 3.58Å; I128-C205 WeakPolarHBondContact O-CA 3.37Å; T130-C205 HydrophobicContact CG2-CB 3.87Å; K166-C205 PolarHBondContact N-O 3.22Å; K166-C205 PolarHBondContact O-N 3.07Å; C205-Y207 HydrophobicContact CB-CD2 4.31Å; C205-Y207 HydrophobicContact CB-CE2 3.6Å
206L93Very high74.7Confident0 Ų087.2 Ų87.20%044%0.442CS..EExtended strand (participates in β ladder)trans-98.9119.2173.4-55.7-177.7000110.1I127 I128 T130 Y153 Y163 W165I127-L206 HydrophobicContact CG2-CD1 3.44Å; I127-L206 VanDerWaalsContact CG2-CD1 3.44Å; I127-L206 HydrophobicContact CG2-CD2 4.12Å; I127-L206 HydrophobicContact CG2-CG 3.6Å; I128-L206 PolarHBondContact O-N 2.81Å; T130-L206 PolarHBondContact N-O 2.86Å; T130-L206 PolarHBondContact OG1-O 3.12Å; Y153-L206 HydrophobicContact CD1-CD1 3.95Å; Y153-L206 HydrophobicContact CE1-CD1 3.21Å; Y163-L206 HydrophobicContact CD1-CB 3.84Å; Y163-L206 HydrophobicContact CG-CB 4.49Å; W165-L206 HydrophobicContact CB-CD2 4.31Å; W165-L206 HydrophobicContact CD2-CD2 3.29Å; W165-L206 HydrophobicContact CE3-CD2 3.86Å; W165-L206 HydrophobicContact CG-CD2 3.51Å; W165-L206 HydrophobicContact CH2-CD2 4.29Å; W165-L206 HydrophobicContact CZ2-CD2 3.78Å; W165-L206 HydrophobicContact CZ3-CD2 4.32Å
207Y90.9Very high74.8Confident85 Ų8587.4 Ų87.433%0.33344%0.442SS..EExtended strand (participates in β ladder)trans-101.7120.6175-68.8-95000109.3T130 Y163 T164 K166 C205 N209T130-Y207 HydrophobicContact CG2-CD1 4.46Å; T130-Y207 HydrophobicContact CG2-CE1 4.11Å; T130-Y207 HydrophobicContact CG2-CE2 4.19Å; Y163-Y207 CarbonylContact C-O 3.59Å; Y163-Y207 WeakPolarHBondContact CA-O 3.42Å; T164-Y207 PolarHBondContact N-O 3.36Å; T164-Y207 PolarHBondContact O-N 3.02Å; K166-Y207 HydrophobicContact CB-CD2 4.17Å; K166-Y207 HydrophobicContact CB-CE2 3.95Å; K166-Y207 HydrophobicContact CD-CD2 3.66Å; K166-Y207 HydrophobicContact CD-CE2 3.67Å; K166-Y207 HydrophobicContact CD-CG 4.47Å; K166-Y207 HydrophobicContact CG-CD2 3.77Å; K166-Y207 HydrophobicContact CG-CE2 3.95Å; C205-Y207 HydrophobicContact CB-CD2 4.31Å; C205-Y207 HydrophobicContact CB-CE2 3.6Å; Y207-N209 PolarHBondContact O-N 2.88Å
208F88Confident75.2Confident90 Ų9086.4 Ų86.440%0.39544%0.444SS..PPolyproline II helixtrans-61.6127.4173.7179.5-111.1000109.7L131 Y163 D210L131-F208 HydrophobicContact CB-CB 4.38Å; L131-F208 HydrophobicContact CD2-CB 3.93Å; L131-F208 HydrophobicContact CD2-CD1 4.19Å; L131-F208 HydrophobicContact CD2-CG 3.96Å; Y163-F208 HydrophobicContact CD1-CB 4.17Å; Y163-F208 HydrophobicContact CD2-CD2 4.34Å; Y163-F208 HydrophobicContact CE1-CB 3.78Å; Y163-F208 HydrophobicContact CE1-CD2 4.04Å; Y163-F208 HydrophobicContact CE1-CG 4.41Å; Y163-F208 AromaticContact CE2-CD2 3.69Å; Y163-F208 HydrophobicContact CE2-CD2 3.69Å; Y163-F208 HydrophobicContact CE2-CE2 4.33Å; Y163-F208 AromaticContact CZ-CD2 3.52Å; F208-D210 HydrophobicContact CE1-CB 4.45Å
209N85.9Confident75.7Confident62 Ų6283.9 Ų83.933%0.33243%0.43SS..PPolyproline II helixtrans-91.4135.5166.8-64.4-33.7000106.8S162 T164 Y207 D211S162-N209 WeakPolarHBondContact O-CB 3.23Å; S162-N209 PolarHBondContact O-ND2 3.47Å; T164-N209 PolarHBondContact N-ND2 3.36Å; T164-N209 VanDerWaalsContact OG1-CG 3.29Å; T164-N209 PolarHBondContact OG1-ND2 2.95Å; T164-N209 PolarHBondContact OG1-OD1 2.84Å; Y207-N209 PolarHBondContact O-N 2.88Å; N209-D211 PolarHBondContact O-N 3.49Å
210D74.7Confident76.3Confident154 Ų15482 Ų8282%0.82442%0.419SS*.  trans-76.472.5174.2-168.511.6000108.8F208F208-D210 HydrophobicContact CE1-CB 4.45Å
211D64.4Low76.8Confident55 Ų5580.3 Ų80.329%0.29442%0.416SS..  trans-103.1129.7173.649.37.4000111S162 N209 T213S162-D211 WeakPolarHBondContact CB-OD1 3.4Å; S162-D211 WeakPolarHBondContact CB-OD2 3.46Å; S162-D211 PolarHBondContact OG-OD1 3.2Å; S162-D211 PolarHBondContact OG-OD2 3.48Å; N209-D211 PolarHBondContact O-N 3.49Å; D211-T213 HydrophobicContact CB-CG2 4.45Å; D211-T213 PolarHBondContact O-N 3.33Å
212L61Low76.7Confident169 Ų16985 Ų8589%0.88544%0.439SS*.  trans-7261.5172.8-71.4164.8000109.9E214L212-E214 PolarHBondContact O-N 3.13Å; L212-E214 VanDerWaalsContact O-N 3.14Å
213T57.4Low76.1Confident77 Ų7790.2 Ų90.247%0.47247%0.466SS..  trans-77.694.6167.951.30000108.2D211D211-T213 HydrophobicContact CB-CG2 4.45Å; D211-T213 PolarHBondContact O-N 3.33Å
214E54Low74.9Confident182 Ų18294.7 Ų94.785%0.8548%0.484SS*.  trans-66.7137.7167.8-68.3-172.1170.900109.9L212L212-E214 PolarHBondContact O-N 3.13Å; L212-E214 VanDerWaalsContact O-N 3.14Å
215L42.7Very low73.2Confident230 Ų230103.1 Ų103.1100%1.20453%0.527SS*.  trans-31.70-176.1-75.4151.2000117.5

Retrieved 215 of 215 residues in 170.3 ms (Link to these results)

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