A0A077ZDM5_TRITR Loading...

2-methoxy-6-polyprenyl-1,4-benzoquinol methylase, mitochondrial

Methyltransferase required for the conversion of 2-polyprenyl-6-methoxy-1,4-benzoquinol (DDMQH2) to 2-polyprenyl-3-methyl-6-methoxy-1,4-benzoquinol (DMQH2).

AlphaFold DB , UniProt , Accession A0A077ZDM5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 218 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.2Very low70.3Confident155 Ų15570.1 Ų70.176%0.76434%0.338SS*.  043.20-70.4-101.7-78.400111.2F3M1-F3 HydrophobicContact CB-CD2 4.08Å; M1-F3 HydrophobicContact CB-CE2 3.68Å; M1-F3 HydrophobicContact CB-CZ 4.21Å; M1-F3 HydrophobicContact CE-CE2 3.44Å; M1-F3 VanDerWaalsContact CE-CE2 3.44Å; M1-F3 HydrophobicContact CE-CZ 3.34Å; M1-F3 HydrophobicContact CG-CE2 4.25Å; M1-F3 HydrophobicContact CG-CZ 4.34Å; M1-F3 WeakPolarHBondContact O-CD2 3.42Å; M1-F3 PolarHBondContact O-N 2.74Å; M1-F3 VanDerWaalsContact O-N 3.15Å; M1-F3 HydrophobicContact SD-CE1 3.95Å; M1-F3 HydrophobicContact SD-CE2 3.58Å; M1-F3 VanDerWaalsContact SD-CE2 3.58Å; M1-F3 HydrophobicContact SD-CZ 3.16Å; M1-F3 WeakPolarHBondContact SD-CZ 3.37Å
2S46.3Very low72.3Confident5 Ų566 Ų664%0.03532%0.321CS..  trans-81.311.9178.948.40000114.5G4 L5S2-G4 PolarHBondContact O-N 2.93Å; S2-L5 PolarHBondContact O-N 3.4Å
3F49.5Very low74.2Confident154 Ų15460.9 Ų60.968%0.67530%0.296SS*.THydrogen-bonded Turntrans34.634.8165.3-69.8-66.8000118.3M1 L5M1-F3 HydrophobicContact CB-CD2 4.08Å; M1-F3 HydrophobicContact CB-CE2 3.68Å; M1-F3 HydrophobicContact CB-CZ 4.21Å; M1-F3 HydrophobicContact CE-CE2 3.44Å; M1-F3 VanDerWaalsContact CE-CE2 3.44Å; M1-F3 HydrophobicContact CE-CZ 3.34Å; M1-F3 HydrophobicContact CG-CE2 4.25Å; M1-F3 HydrophobicContact CG-CZ 4.34Å; M1-F3 WeakPolarHBondContact O-CD2 3.42Å; M1-F3 PolarHBondContact O-N 2.74Å; M1-F3 VanDerWaalsContact O-N 3.15Å; M1-F3 HydrophobicContact SD-CE1 3.95Å; M1-F3 HydrophobicContact SD-CE2 3.58Å; M1-F3 VanDerWaalsContact SD-CE2 3.58Å; M1-F3 HydrophobicContact SD-CZ 3.16Å; M1-F3 WeakPolarHBondContact SD-CZ 3.37Å; F3-L5 PolarHBondContact O-N 2.8Å
4G60.7Low75.8Confident27 Ų2756.8 Ų56.828%0.27828%0.276SS..THydrogen-bonded Turntrans63.726.2-178.600000113.6S2 H6 R7 L8S2-G4 PolarHBondContact O-N 2.93Å; G4-H6 PolarHBondContact O-N 3.12Å; G4-R7 CarbonylContact O-C 3.57Å; G4-R7 WeakPolarHBondContact O-CA 3.13Å; G4-R7 VanDerWaalsContact O-CB 3.28Å; G4-R7 WeakPolarHBondContact O-CB 3.37Å; G4-R7 PolarHBondContact O-N 3.34Å; G4-L8 PolarHBondContact O-N 2.93Å
5L68.9Low77.1Confident30 Ų3064.6 Ų64.616%0.15730%0.302CS..Hα-helixtrans-53-41.7173.7-75.5168.2000111.4S2 F3 R7 L8 W9 L201S2-L5 PolarHBondContact O-N 3.4Å; F3-L5 PolarHBondContact O-N 2.8Å; L5-R7 PolarHBondContact O-N 2.72Å; L5-L8 HydrophobicContact CD2-CD1 4.38Å; L5-L8 WeakPolarHBondContact O-CB 3.47Å; L5-L8 PolarHBondContact O-N 3.35Å; L5-L8 VanDerWaalsContact O-N 3.12Å; L5-W9 HydrophobicContact CB-CZ2 4.22Å; L5-W9 PolarHBondContact O-N 3.32Å; L5-L201 HydrophobicContact CD1-CD1 3.87Å; L5-L201 HydrophobicContact CD2-CD1 3.88Å; L5-L201 HydrophobicContact CD2-CD2 4.32Å; L5-L201 HydrophobicContact CG-CD1 4.32Å
6H73.6Confident78.3Confident65 Ų6563.8 Ų63.830%0.30130%0.298SS..Hα-helixtrans-58.7-34.6174.373.4-93.1000113G4 W9 K10 V155G4-H6 PolarHBondContact O-N 3.12Å; H6-W9 HydrophobicContact CB-CE3 4.19Å; H6-W9 HydrophobicContact CB-CZ3 4.39Å; H6-K10 VanDerWaalsContact O-CG 3.3Å; H6-K10 WeakPolarHBondContact O-CG 3.44Å; H6-K10 PolarHBondContact O-N 3.37Å; H6-V155 HydrophobicContact CB-CG1 4.3Å
7R80.9Confident79.4Confident154 Ų15460.6 Ų60.658%0.58128%0.283SS*.Hα-helixtrans-72.9-41.7177.5166.2173160.5-163.7-8.9109.9G4 L5 W9 K10 D11G4-R7 CarbonylContact O-C 3.57Å; G4-R7 WeakPolarHBondContact O-CA 3.13Å; G4-R7 VanDerWaalsContact O-CB 3.28Å; G4-R7 WeakPolarHBondContact O-CB 3.37Å; G4-R7 PolarHBondContact O-N 3.34Å; L5-R7 PolarHBondContact O-N 2.72Å; R7-W9 VanDerWaalsContact C-N 3.33Å; R7-W9 PolarHBondContact O-N 3.44Å; R7-K10 PolarHBondContact O-N 3.36Å; R7-D11 WeakPolarHBondContact CG-OD2 3.41Å; R7-D11 IonicContact NE-OD2 3.85Å; R7-D11 WeakPolarHBondContact O-CB 3.34Å; R7-D11 VanDerWaalsContact O-CG 3.31Å; R7-D11 PolarHBondContact O-N 2.94Å; R7-D11 VanDerWaalsContact O-OD2 3.05Å
8L85.1Confident80.2Confident98 Ų9867.8 Ų67.851%0.51331%0.308SS..Hα-helixtrans-61.9-37.2173.9-65.3175.5000112.8G4 L5 D11 T12G4-L8 PolarHBondContact O-N 2.93Å; L5-L8 HydrophobicContact CD2-CD1 4.38Å; L5-L8 WeakPolarHBondContact O-CB 3.47Å; L5-L8 PolarHBondContact O-N 3.35Å; L5-L8 VanDerWaalsContact O-N 3.12Å; L8-D11 PolarHBondContact O-N 3.32Å; L8-T12 WeakPolarHBondContact O-CB 3.48Å; L8-T12 PolarHBondContact O-N 3.27Å; L8-T12 PolarHBondContact O-OG1 3.48Å
9W89.6Confident80.8Confident4 Ų464.7 Ų64.72%0.01529%0.294CS..Hα-helixtrans-63.9-48.9174.2-58.4-25.4000111.6L5 H6 R7 D11 T12 F13 F103 L131 F133 V155 M200 L201 V205L5-W9 HydrophobicContact CB-CZ2 4.22Å; L5-W9 PolarHBondContact O-N 3.32Å; H6-W9 HydrophobicContact CB-CE3 4.19Å; H6-W9 HydrophobicContact CB-CZ3 4.39Å; R7-W9 VanDerWaalsContact C-N 3.33Å; R7-W9 PolarHBondContact O-N 3.44Å; W9-D11 VanDerWaalsContact C-N 3.32Å; W9-D11 PolarHBondContact O-N 3.1Å; W9-T12 PolarHBondContact O-N 3.03Å; W9-F13 WeakPolarHBondContact O-CB 3.41Å; W9-F13 PolarHBondContact O-N 3.05Å; W9-F103 AromaticContact CE3-CZ 3.87Å; W9-F103 HydrophobicContact CE3-CZ 3.87Å; W9-F103 HydrophobicContact CZ3-CZ 4.45Å; W9-L131 HydrophobicContact CB-CD1 4.48Å; W9-L131 HydrophobicContact CB-CD2 4.4Å; W9-F133 AromaticContact CH2-CE1 4Å; W9-F133 HydrophobicContact CH2-CE1 4Å; W9-F133 AromaticContact CZ3-CE1 3.66Å; W9-F133 HydrophobicContact CZ3-CE1 3.66Å; W9-F133 HydrophobicContact CZ3-CZ 4.12Å; W9-V155 HydrophobicContact CH2-CG1 4.44Å; W9-V155 HydrophobicContact CZ3-CG1 4.27Å; W9-M200 HydrophobicContact CB-CE 4.48Å; W9-M200 HydrophobicContact CB-SD 4.24Å; W9-M200 HydrophobicContact CG-CE 4.37Å; W9-M200 HydrophobicContact CG-SD 4.27Å; W9-L201 HydrophobicContact CZ2-CD1 3.48Å; W9-L201 VanDerWaalsContact CZ2-CD1 3.48Å; W9-L201 HydrophobicContact CZ2-CG 4.3Å; W9-V205 HydrophobicContact CD2-CB 4.32Å; W9-V205 HydrophobicContact CD2-CG1 4.3Å; W9-V205 HydrophobicContact CD2-CG2 3.82Å; W9-V205 HydrophobicContact CE3-CG2 3.7Å; W9-V205 HydrophobicContact CG-CG1 4.37Å; W9-V205 HydrophobicContact CH2-CG2 3.59Å; W9-V205 HydrophobicContact CZ2-CG2 3.69Å; W9-V205 HydrophobicContact CZ3-CG2 3.6Å
10K92.5Very high81.2Confident20 Ų2068.7 Ų68.79%0.08731%0.311CS..Hα-helixtrans-62.9-37.9177.2-68.6173.6176.1176.40112H6 R7 V14 D34 I35 F103 L131H6-K10 VanDerWaalsContact O-CG 3.3Å; H6-K10 WeakPolarHBondContact O-CG 3.44Å; H6-K10 PolarHBondContact O-N 3.37Å; R7-K10 PolarHBondContact O-N 3.36Å; K10-V14 WeakPolarHBondContact O-CG2 3.37Å; K10-V14 PolarHBondContact O-N 3.04Å; K10-V14 VanDerWaalsContact O-N 3.08Å; K10-D34 HydrophobicContact CD-CB 4.17Å; K10-D34 IonicContact NZ-OD2 3.56Å; K10-D34 PolarHBondContact NZ-OD2 3.49Å; K10-I35 HydrophobicContact CB-CD1 3.83Å; K10-I35 HydrophobicContact CD-CD1 4.4Å; K10-I35 HydrophobicContact CG-CD1 3.79Å; K10-F103 HydrophobicContact CG-CE2 4.48Å; K10-L131 HydrophobicContact CG-CD2 4.23Å
11D93.1Very high81.5Confident59 Ų5966.8 Ų66.832%0.31631%0.305SS..Hα-helixtrans-65.5-44.1174.2-76.8-39.2000112R7 L8 W9 V14 R15 R38R7-D11 WeakPolarHBondContact CG-OD2 3.41Å; R7-D11 IonicContact NE-OD2 3.85Å; R7-D11 WeakPolarHBondContact O-CB 3.34Å; R7-D11 VanDerWaalsContact O-CG 3.31Å; R7-D11 PolarHBondContact O-N 2.94Å; R7-D11 VanDerWaalsContact O-OD2 3.05Å; L8-D11 PolarHBondContact O-N 3.32Å; W9-D11 VanDerWaalsContact C-N 3.32Å; W9-D11 PolarHBondContact O-N 3.1Å; D11-V14 PolarHBondContact O-N 3.46Å; D11-R15 VanDerWaalsContact O-CB 3.3Å; D11-R15 WeakPolarHBondContact O-CB 3.14Å; D11-R15 PolarHBondContact O-N 2.92Å; D11-R38 IonicContact OD1-CZ 3.65Å; D11-R38 IonicContact OD1-NH1 2.73Å; D11-R38 PolarHBondContact OD1-NH1 3.29Å; D11-R38 IonicContact OD2-NH1 3.87Å; D11-R38 PolarHBondContact OD2-NH1 2.82Å
12T94.6Very high84.2Confident21 Ų2165.7 Ų65.713%0.12929%0.293CS..Hα-helixtrans-63.7-43.4176.4-58.10000111.2L8 W9 V14 R15 E16 M200 I207L8-T12 WeakPolarHBondContact O-CB 3.48Å; L8-T12 PolarHBondContact O-N 3.27Å; L8-T12 PolarHBondContact O-OG1 3.48Å; W9-T12 PolarHBondContact O-N 3.03Å; T12-V14 PolarHBondContact O-N 2.74Å; T12-R15 PolarHBondContact O-N 3.34Å; T12-E16 HydrophobicContact CG2-CG 4.49Å; T12-E16 WeakPolarHBondContact O-CG 3.31Å; T12-E16 PolarHBondContact O-N 3.41Å; T12-M200 HydrophobicContact CG2-CE 3.77Å; T12-M200 HydrophobicContact CG2-SD 4.41Å; T12-I207 HydrophobicContact CG2-CD1 4.11Å
13F97Very high86.5Confident0 Ų067 Ų670%030%0.299CS..Hα-helixtrans-58.2-48.3177.4-179.1-111.4000112.5W9 R15 E16 L17 I35 T100 A102 M129 L131 I207W9-F13 WeakPolarHBondContact O-CB 3.41Å; W9-F13 PolarHBondContact O-N 3.05Å; F13-R15 VanDerWaalsContact C-N 3.34Å; F13-R15 PolarHBondContact O-N 2.92Å; F13-E16 PolarHBondContact O-N 3.34Å; F13-L17 PolarHBondContact O-N 2.88Å; F13-I35 HydrophobicContact CD1-CD1 3.85Å; F13-I35 HydrophobicContact CD1-CG1 4.35Å; F13-I35 HydrophobicContact CD1-CG2 4.27Å; F13-I35 HydrophobicContact CE1-CD1 4.38Å; F13-I35 HydrophobicContact CE1-CG1 4.39Å; F13-I35 HydrophobicContact CE1-CG2 4.05Å; F13-T100 HydrophobicContact CE1-CG2 3.88Å; F13-T100 HydrophobicContact CZ-CG2 3.99Å; F13-A102 HydrophobicContact CE1-CB 4.42Å; F13-M129 HydrophobicContact CD2-CE 4.08Å; F13-M129 HydrophobicContact CE2-CB 3.68Å; F13-M129 HydrophobicContact CE2-CE 4.03Å; F13-M129 HydrophobicContact CZ-CB 3.8Å; F13-L131 HydrophobicContact CB-CB 4.48Å; F13-L131 HydrophobicContact CB-CD2 4.01Å; F13-L131 HydrophobicContact CD1-CB 4.34Å; F13-L131 HydrophobicContact CD2-CB 3.62Å; F13-L131 HydrophobicContact CD2-CG 4.5Å; F13-L131 HydrophobicContact CE1-CB 4.46Å; F13-L131 HydrophobicContact CE2-CB 3.74Å; F13-L131 HydrophobicContact CG-CB 3.9Å; F13-L131 HydrophobicContact CG-CD2 4.19Å; F13-L131 HydrophobicContact CZ-CB 4.17Å; F13-I207 HydrophobicContact CB-CD1 4.21Å; F13-I207 HydrophobicContact CD2-CD1 4.3Å; F13-I207 HydrophobicContact CD2-CG1 4.06Å; F13-I207 HydrophobicContact CD2-CG2 3.82Å; F13-I207 HydrophobicContact CE2-CG2 4.14Å
14V97Very high88.9Confident3 Ų364.6 Ų64.62%0.01829%0.286CS..Hα-helixtrans-68.6-34.6177.7174.10000111.7K10 D11 T12 E16 L17 R18 P19 I35 R38 I39 E42K10-V14 WeakPolarHBondContact O-CG2 3.37Å; K10-V14 PolarHBondContact O-N 3.04Å; K10-V14 VanDerWaalsContact O-N 3.08Å; D11-V14 PolarHBondContact O-N 3.46Å; T12-V14 PolarHBondContact O-N 2.74Å; V14-E16 VanDerWaalsContact C-N 3.35Å; V14-L17 WeakPolarHBondContact O-CB 3.33Å; V14-L17 PolarHBondContact O-N 3.47Å; V14-R18 PolarHBondContact O-N 3.25Å; V14-P19 HydrophobicContact CG1-CG 4.22Å; V14-P19 VanDerWaalsContact O-CD 3.28Å; V14-P19 WeakPolarHBondContact O-CD 3.26Å; V14-I35 HydrophobicContact CG2-CD1 4.34Å; V14-I35 HydrophobicContact CG2-CG2 4.07Å; V14-R38 HydrophobicContact CB-CB 4.32Å; V14-R38 HydrophobicContact CG1-CB 4.18Å; V14-R38 HydrophobicContact CG2-CB 3.82Å; V14-I39 HydrophobicContact CG1-CG1 3.99Å; V14-I39 HydrophobicContact CG2-CG1 4.12Å; V14-E42 HydrophobicContact CG1-CG 4.13Å
15R95.3Very high90.7Very high174 Ų17463.3 Ų63.366%0.65727%0.273SS*.Hα-helixtrans-65-37.9173.7-175.3177.463.2-161.4-3112.3D11 T12 F13 R18D11-R15 VanDerWaalsContact O-CB 3.3Å; D11-R15 WeakPolarHBondContact O-CB 3.14Å; D11-R15 PolarHBondContact O-N 2.92Å; T12-R15 PolarHBondContact O-N 3.34Å; F13-R15 VanDerWaalsContact C-N 3.34Å; F13-R15 PolarHBondContact O-N 2.92Å; R15-R18 WeakPolarHBondContact O-CG 3.46Å; R15-R18 PolarHBondContact O-N 3.28Å
16E96Very high92.1Very high52 Ų5261.9 Ų61.924%0.24327%0.265CS..Hα-helixtrans-71.7-32175.6-76.5-171.9-16600113T12 F13 V14 R18 R127 M129 I207T12-E16 HydrophobicContact CG2-CG 4.49Å; T12-E16 WeakPolarHBondContact O-CG 3.31Å; T12-E16 PolarHBondContact O-N 3.41Å; F13-E16 PolarHBondContact O-N 3.34Å; V14-E16 VanDerWaalsContact C-N 3.35Å; E16-R18 PolarHBondContact O-N 3.25Å; E16-R127 PolarHBondContact O-NH1 3.1Å; E16-M129 HydrophobicContact CB-CE 3.8Å; E16-I207 WeakPolarHBondContact OE2-CG2 3.33Å
17L96.6Very high93.3Very high9 Ų958.8 Ų58.85%0.04725%0.251CS..Hα-helixtrans-61.1-35171.5179.266.9000111.8F13 V14 I25 I39 A98 T100 M129F13-L17 PolarHBondContact O-N 2.88Å; V14-L17 WeakPolarHBondContact O-CB 3.33Å; V14-L17 PolarHBondContact O-N 3.47Å; L17-I25 HydrophobicContact CD2-CD1 4.26Å; L17-I39 HydrophobicContact CD2-CD1 3.53Å; L17-I39 HydrophobicContact CD2-CG1 3.91Å; L17-A98 HydrophobicContact CD1-CB 3.85Å; L17-T100 HydrophobicContact CD1-CG2 4.13Å; L17-T100 HydrophobicContact CD2-CG2 3.8Å; L17-M129 VanDerWaalsContact CA-SD 3.54Å; L17-M129 HydrophobicContact CB-SD 3.86Å; L17-M129 HydrophobicContact CD1-SD 3.7Å; L17-M129 HydrophobicContact CG-SD 4.41Å
18R93.4Very high94.1Very high191 Ų19151.5 Ų51.572%0.72122%0.223SC*.  trans51.160.6-176.5-60.8-177.1177.7-175.4-0.4111.7V14 R15 E16 K20V14-R18 PolarHBondContact O-N 3.25Å; R15-R18 WeakPolarHBondContact O-CG 3.46Å; R15-R18 PolarHBondContact O-N 3.28Å; E16-R18 PolarHBondContact O-N 3.25Å; R18-K20 PolarHBondContact O-N 2.9Å; R18-K20 VanDerWaalsContact O-N 3.14Å
19P92.2Very high94.7Very high9 Ų948 Ų486%0.05821%0.209CC..PPolyproline II helixtrans-58.7120-176.725.8-34.7000110.6V14 I25 I39 E42V14-P19 HydrophobicContact CG1-CG 4.22Å; V14-P19 VanDerWaalsContact O-CD 3.28Å; V14-P19 WeakPolarHBondContact O-CD 3.26Å; P19-I25 HydrophobicContact CB-CD1 4.2Å; P19-I39 HydrophobicContact CB-CG2 3.87Å; P19-I39 HydrophobicContact CG-CG2 4.43Å; P19-E42 HydrophobicContact CG-CB 4.03Å
20K89.2Confident95.1Very high144 Ų14448.5 Ų48.563%0.62622%0.215SC*.PPolyproline II helixtrans-97.4147.5176.6-62.6-178.2-178.4177.30110.1R18 M23 C52R18-K20 PolarHBondContact O-N 2.9Å; R18-K20 VanDerWaalsContact O-N 3.14Å; K20-M23 HydrophobicContact CB-CG 4.02Å; K20-M23 HydrophobicContact CB-SD 3.8Å; K20-M23 HydrophobicContact CG-SD 4.24Å; K20-M23 PolarHBondContact N-SD 3.2Å; K20-M23 WeakPolarHBondContact O-CB 3.25Å; K20-M23 WeakPolarHBondContact O-CG 3.42Å; K20-M23 PolarHBondContact O-N 3.43Å; K20-C52 PolarHBondContact O-SG 2.75Å
21P86.9Confident95.2Very high29 Ų2947.7 Ų47.719%0.18821%0.212CC..THydrogen-bonded Turntrans-47.2148.4168.4-27.435.9000111.7M23 I46P21-M23 PolarHBondContact O-N 2.73Å; P21-I46 HydrophobicContact CG-CB 4.19Å; P21-I46 HydrophobicContact CG-CG2 3.7Å
22Y89.2Confident95.3Very high131 Ų13146.3 Ų46.351%0.51421%0.206SC..THydrogen-bonded Turntrans70.8-9.9-178-43.2-69.1000117R24 R50Y22-R24 PolarHBondContact O-N 2.92Å; Y22-R50 HydrophobicContact CD1-CB 4.17Å; Y22-R50 HydrophobicContact CE1-CB 3.43Å; Y22-R50 VanDerWaalsContact CE1-CB 3.43Å; Y22-R50 HydrophobicContact CE1-CG 4.04Å; Y22-R50 VanDerWaalsContact CE1-CZ 3.49Å
23M96Very high95.4Very high33 Ų3345.3 Ų45.316%0.16320%0.2CC..  trans-64.3135.9174.3-69.7-177.376.500110.7K20 P21 I25 C52 E53 D97 A98K20-M23 HydrophobicContact CB-CG 4.02Å; K20-M23 HydrophobicContact CB-SD 3.8Å; K20-M23 HydrophobicContact CG-SD 4.24Å; K20-M23 PolarHBondContact N-SD 3.2Å; K20-M23 WeakPolarHBondContact O-CB 3.25Å; K20-M23 WeakPolarHBondContact O-CG 3.42Å; K20-M23 PolarHBondContact O-N 3.43Å; P21-M23 PolarHBondContact O-N 2.73Å; M23-I25 HydrophobicContact CB-CD1 4.18Å; M23-I25 HydrophobicContact CB-CG1 4.03Å; M23-C52 WeakPolarHBondContact O-CA 2.98Å; M23-E53 PolarHBondContact O-N 3.09Å; M23-D97 WeakPolarHBondContact CA-OD2 3.39Å; M23-D97 HydrophobicContact CB-CB 4.24Å; M23-D97 HydrophobicContact CE-CB 3.6Å; M23-D97 HydrophobicContact CG-CB 4.25Å; M23-A98 HydrophobicContact CE-CB 3.99Å
24R98.4Very high95.3Very high104 Ų10447.5 Ų47.539%0.39221%0.212SC..EExtended strand (participates in β ladder)trans-95.4117.9166.2-54.2-17188-151.36.3108.4Y22 E53 F96 D97 A98Y22-R24 PolarHBondContact O-N 2.92Å; R24-E53 CarbonylContact C-O 3.53Å; R24-E53 VanDerWaalsContact CA-O 3.32Å; R24-E53 WeakPolarHBondContact CA-O 3.4Å; R24-E53 HydrophobicContact CG-CB 4.32Å; R24-E53 IonicContact CZ-OE2 3.55Å; R24-E53 IonicContact NE-OE2 2.83Å; R24-E53 PolarHBondContact NE-OE2 2.75Å; R24-E53 IonicContact NH2-OE2 3.36Å; R24-E53 PolarHBondContact NH2-OE2 2.88Å; R24-F96 HydrophobicContact CB-CD1 4.2Å; R24-D97 PolarHBondContact N-OD2 3.42Å; R24-D97 PolarHBondContact O-N 3.18Å; R24-A98 PolarHBondContact O-N 3.37Å
25I98.8Very high95.3Very high0 Ų047.6 Ų47.60%021%0.212CC..EExtended strand (participates in β ladder)trans-120.4128.5-172.9-56.4173.4000108.5L17 P19 M23 I39 C52 E53 V54 V55 A98 T100L17-I25 HydrophobicContact CD2-CD1 4.26Å; P19-I25 HydrophobicContact CB-CD1 4.2Å; M23-I25 HydrophobicContact CB-CD1 4.18Å; M23-I25 HydrophobicContact CB-CG1 4.03Å; I25-I39 HydrophobicContact CD1-CD1 4.44Å; I25-I39 HydrophobicContact CD1-CG2 3.77Å; I25-I39 HydrophobicContact CG2-CD1 4.16Å; I25-C52 HydrophobicContact CD1-CB 4.23Å; I25-E53 PolarHBondContact N-O 2.89Å; I25-V54 HydrophobicContact CB-CG1 4.46Å; I25-V54 HydrophobicContact CB-CG2 4.48Å; I25-V54 CarbonylContact O-C 3.56Å; I25-V54 VanDerWaalsContact O-CA 3.27Å; I25-V54 WeakPolarHBondContact O-CA 3.36Å; I25-V55 PolarHBondContact O-N 3.24Å; I25-A98 WeakPolarHBondContact CA-O 3.42Å; I25-A98 HydrophobicContact CG1-CB 4.22Å; I25-A98 HydrophobicContact CG2-CB 4.28Å; I25-T100 HydrophobicContact CG2-CG2 4.35Å
26L98.9Very high95.4Very high0 Ų039.3 Ų39.30%018%0.181CC..EExtended strand (participates in β ladder)trans-93.1120169.1178.259.6000109A28 V55 T57 L89 F91 F96 A98 Y99 T100 V121L26-A28 HydrophobicContact CG-CB 4.43Å; L26-V55 HydrophobicContact CD1-CB 4.19Å; L26-V55 HydrophobicContact CD1-CG1 4.26Å; L26-V55 WeakPolarHBondContact CD1-O 3.36Å; L26-T57 HydrophobicContact CD1-CG2 3.68Å; L26-L89 HydrophobicContact CD2-CD1 3.66Å; L26-L89 HydrophobicContact CD2-CD2 4.3Å; L26-F91 HydrophobicContact CD1-CD2 4.47Å; L26-F91 HydrophobicContact CD1-CE2 3.63Å; L26-F91 HydrophobicContact CD1-CZ 4.14Å; L26-F91 HydrophobicContact CD2-CD2 4.08Å; L26-F91 HydrophobicContact CD2-CE2 3.97Å; L26-F91 HydrophobicContact CG-CE2 4.49Å; L26-F96 HydrophobicContact CB-CB 4.46Å; L26-F96 HydrophobicContact CB-CD1 3.81Å; L26-F96 HydrophobicContact CB-CD2 3.87Å; L26-F96 HydrophobicContact CB-CE1 3.92Å; L26-F96 HydrophobicContact CB-CE2 3.98Å; L26-F96 HydrophobicContact CB-CG 3.78Å; L26-F96 HydrophobicContact CB-CZ 4Å; L26-F96 HydrophobicContact CD1-CE2 4.49Å; L26-F96 HydrophobicContact CD1-CZ 4.19Å; L26-F96 HydrophobicContact CD2-CD2 4.17Å; L26-F96 HydrophobicContact CD2-CE2 3.9Å; L26-F96 HydrophobicContact CD2-CZ 4.4Å; L26-F96 HydrophobicContact CG-CE2 4.36Å; L26-F96 HydrophobicContact CG-CZ 4.43Å; L26-A98 PolarHBondContact N-O 2.97Å; L26-Y99 HydrophobicContact CB-CD2 4.28Å; L26-Y99 HydrophobicContact CD2-CD2 3.68Å; L26-Y99 HydrophobicContact CD2-CE2 3.55Å; L26-Y99 HydrophobicContact CG-CD2 4.14Å; L26-Y99 HydrophobicContact CG-CE2 4.18Å; L26-Y99 CarbonylContact O-C 3.59Å; L26-Y99 WeakPolarHBondContact O-CA 3.16Å; L26-T100 PolarHBondContact O-N 3.44Å; L26-T100 PolarHBondContact O-OG1 3.03Å; L26-V121 HydrophobicContact CD2-CG2 3.92Å
27D98.8Very high95.5Very high0 Ų038.2 Ų38.20%018%0.176CC..EExtended strand (participates in β ladder)trans-102.589.8171.9-167.834.3000109A36 V54 V55 T57 T100D27-A36 HydrophobicContact CB-CB 4.44Å; D27-A36 PolarHBondContact OD2-N 3.24Å; D27-V54 HydrophobicContact CB-CG1 3.92Å; D27-V55 PolarHBondContact N-O 2.7Å; D27-T57 PolarHBondContact O-N 3.32Å; D27-T100 CarbonylContact C-O 3.54Å; D27-T100 WeakPolarHBondContact CA-O 3.36Å; D27-T100 WeakPolarHBondContact CA-OG1 3.44Å; D27-T100 PolarHBondContact OD1-OG1 3.37Å
28A98.8Very high95.4Very high0 Ų040.2 Ų40.20%018%0.183CC..EExtended strand (participates in β ladder)trans-84.8142.8-175.100000112.3L26 G30 T57 Y99 T100 I101L26-A28 HydrophobicContact CG-CB 4.43Å; A28-G30 PolarHBondContact O-N 2.83Å; A28-T57 WeakPolarHBondContact CA-OG1 3.37Å; A28-Y99 HydrophobicContact CB-CE1 3.82Å; A28-Y99 HydrophobicContact CB-CE2 3.88Å; A28-Y99 WeakPolarHBondContact CB-OH 3.47Å; A28-T100 PolarHBondContact N-O 2.98Å; A28-I101 HydrophobicContact CB-CD1 4.45Å; A28-I101 WeakPolarHBondContact O-CG1 3.49Å
29A97.5Very high95.6Very high26 Ų2631.1 Ų31.122%0.21515%0.149CC..THydrogen-bonded Turntrans47.839.5-165.100000111G31 T57 I101A29-G31 PolarHBondContact O-N 3.34Å; A29-T57 CarbonylContact C-O 3.54Å; A29-T57 WeakPolarHBondContact CA-O 3.39Å; A29-T57 PolarHBondContact N-O 3.15Å; A29-I101 HydrophobicContact CB-CD1 4.08Å; A29-I101 HydrophobicContact CB-CG1 4.27Å
30G96.9Very high95.7Very high13 Ų1330.7 Ų30.713%0.13415%0.146CC..  trans-72-12.1-172.600000113.1A28 T32 G33 T57A28-G30 PolarHBondContact O-N 2.83Å; G30-T32 PolarHBondContact O-N 3Å; G30-G33 WeakPolarHBondContact O-CA 3.49Å; G30-G33 PolarHBondContact O-N 2.8Å; G30-T57 PolarHBondContact N-O 2.79Å
31G94.6Very high95.9Very high4 Ų425.9 Ų25.94%0.04113%0.13CC..THydrogen-bonded Turntrans56.5-119.4174.900000112.5A29 G33 D58 M63A29-G31 PolarHBondContact O-N 3.34Å; G31-G33 PolarHBondContact O-N 3.3Å; G31-D58 WeakPolarHBondContact CA-OD2 3.33Å; G31-D58 PolarHBondContact N-OD2 2.9Å; G31-M63 VanDerWaalsContact CA-CE 3.5Å; G31-M63 CarbonylContact O-C 3.58Å
32T95.3Very high96.2Very high29 Ų2928.1 Ų28.118%0.17814%0.138CC..THydrogen-bonded Turntrans-82.312.5177.270.40000113.7G30 D34 M63 V66 G67 K70G30-T32 PolarHBondContact O-N 3Å; T32-D34 PolarHBondContact OG1-OD1 3.3Å; T32-M63 HydrophobicContact CG2-CB 4.43Å; T32-V66 HydrophobicContact CG2-CB 4Å; T32-V66 HydrophobicContact CG2-CG1 3.75Å; T32-G67 VanDerWaalsContact O-CA 3.27Å; T32-G67 WeakPolarHBondContact O-CA 3.39Å; T32-K70 PolarHBondContact OG1-NZ 3.2Å
33G96.3Very high96.4Very high0 Ų021.9 Ų21.90%011%0.114CC..THydrogen-bonded Turntrans73.229.9173.900000115.2G30 G31 I35 A36 L37G30-G33 WeakPolarHBondContact O-CA 3.49Å; G30-G33 PolarHBondContact O-N 2.8Å; G31-G33 PolarHBondContact O-N 3.3Å; G33-I35 PolarHBondContact O-N 3.17Å; G33-A36 PolarHBondContact O-N 2.89Å; G33-L37 WeakPolarHBondContact O-CB 3.29Å; G33-L37 WeakPolarHBondContact O-CG 3.49Å; G33-L37 PolarHBondContact O-N 3.31Å
34D95.2Very high96.1Very high47 Ų4723.1 Ų23.125%0.25112%0.117SC..Hα-helixtrans-61.1-33.5-177.3-77.90.7000112.9K10 T32 R38 K70K10-D34 HydrophobicContact CD-CB 4.17Å; K10-D34 IonicContact NZ-OD2 3.56Å; K10-D34 PolarHBondContact NZ-OD2 3.49Å; T32-D34 PolarHBondContact OG1-OD1 3.3Å; D34-R38 WeakPolarHBondContact O-CD 3.39Å; D34-R38 WeakPolarHBondContact O-CG 3.11Å; D34-R38 PolarHBondContact O-NE 2.74Å; D34-K70 IonicContact OD1-NZ 3.53Å
35I97.5Very high95.8Very high5 Ų525 Ų253%0.02613%0.128CC..Hα-helixtrans-77.7-51.3174.8-63.3-50.8000109.8K10 F13 V14 G33 L37 R38 I39 A102K10-I35 HydrophobicContact CB-CD1 3.83Å; K10-I35 HydrophobicContact CD-CD1 4.4Å; K10-I35 HydrophobicContact CG-CD1 3.79Å; F13-I35 HydrophobicContact CD1-CD1 3.85Å; F13-I35 HydrophobicContact CD1-CG1 4.35Å; F13-I35 HydrophobicContact CD1-CG2 4.27Å; F13-I35 HydrophobicContact CE1-CD1 4.38Å; F13-I35 HydrophobicContact CE1-CG1 4.39Å; F13-I35 HydrophobicContact CE1-CG2 4.05Å; V14-I35 HydrophobicContact CG2-CD1 4.34Å; V14-I35 HydrophobicContact CG2-CG2 4.07Å; G33-I35 PolarHBondContact O-N 3.17Å; I35-L37 VanDerWaalsContact C-N 3.29Å; I35-L37 PolarHBondContact O-N 3.38Å; I35-R38 WeakPolarHBondContact O-CB 3.2Å; I35-R38 PolarHBondContact O-N 2.75Å; I35-I39 HydrophobicContact CG2-CD1 3.7Å; I35-I39 HydrophobicContact CG2-CG1 4.29Å; I35-I39 WeakPolarHBondContact O-CG1 3.24Å; I35-I39 PolarHBondContact O-N 3.05Å; I35-A102 HydrophobicContact CD1-CB 4.1Å; I35-A102 HydrophobicContact CG1-CB 3.58Å
36A97.8Very high95.3Very high0 Ų030.5 Ų30.50%016%0.156CC..Hα-helixtrans-51.8-42.6176.500000114.3D27 G33 R38 I39 S40 V54 V56 L79D27-A36 HydrophobicContact CB-CB 4.44Å; D27-A36 PolarHBondContact OD2-N 3.24Å; G33-A36 PolarHBondContact O-N 2.89Å; A36-R38 PolarHBondContact O-N 3.32Å; A36-I39 PolarHBondContact O-N 3.31Å; A36-S40 WeakPolarHBondContact O-CB 3.43Å; A36-S40 PolarHBondContact O-N 2.95Å; A36-V54 HydrophobicContact CB-CB 4.43Å; A36-V54 HydrophobicContact CB-CG1 3.76Å; A36-V56 HydrophobicContact CB-CG2 3.37Å; A36-L79 HydrophobicContact CB-CD2 4.01Å
37L96.8Very high94.9Very high29 Ų2931.4 Ų31.415%0.15216%0.163CC..Hα-helixtrans-64.6-38.4177.3-71.1169.4000112.3G33 I35 S41 K70 A71 A76 L79G33-L37 WeakPolarHBondContact O-CB 3.29Å; G33-L37 WeakPolarHBondContact O-CG 3.49Å; G33-L37 PolarHBondContact O-N 3.31Å; I35-L37 VanDerWaalsContact C-N 3.29Å; I35-L37 PolarHBondContact O-N 3.38Å; L37-S41 WeakPolarHBondContact O-CB 3.42Å; L37-S41 PolarHBondContact O-N 3.03Å; L37-K70 HydrophobicContact CD1-CB 3.98Å; L37-K70 HydrophobicContact CD1-CD 4.46Å; L37-A71 HydrophobicContact CD2-CB 3.97Å; L37-A76 HydrophobicContact CD2-CB 3.56Å; L37-L79 HydrophobicContact CD2-CD1 3.8Å; L37-L79 HydrophobicContact CG-CD1 4.46Å
38R96.1Very high94.2Very high51 Ų5136.2 Ų36.219%0.19219%0.194CC..Hα-helixtrans-67.9-43.7175-71.3173.7-160.4-84.90.3111D11 V14 D34 I35 A36 S40 S41 E42D11-R38 IonicContact OD1-CZ 3.65Å; D11-R38 IonicContact OD1-NH1 2.73Å; D11-R38 PolarHBondContact OD1-NH1 3.29Å; D11-R38 IonicContact OD2-NH1 3.87Å; D11-R38 PolarHBondContact OD2-NH1 2.82Å; V14-R38 HydrophobicContact CB-CB 4.32Å; V14-R38 HydrophobicContact CG1-CB 4.18Å; V14-R38 HydrophobicContact CG2-CB 3.82Å; D34-R38 WeakPolarHBondContact O-CD 3.39Å; D34-R38 WeakPolarHBondContact O-CG 3.11Å; D34-R38 PolarHBondContact O-NE 2.74Å; I35-R38 WeakPolarHBondContact O-CB 3.2Å; I35-R38 PolarHBondContact O-N 2.75Å; A36-R38 PolarHBondContact O-N 3.32Å; R38-S40 VanDerWaalsContact C-N 3.35Å; R38-S40 PolarHBondContact O-N 2.8Å; R38-S41 WeakPolarHBondContact O-CB 3.44Å; R38-S41 PolarHBondContact O-N 3.42Å; R38-E42 WeakPolarHBondContact O-CG 3.35Å; R38-E42 PolarHBondContact O-N 3.08Å
39I96.8Very high93.6Very high0 Ų041.1 Ų41.10%023%0.228CC..Hα-helixtrans-59.6-46.1175.2-66.8171.2000110.8V14 L17 P19 I25 I35 A36 S41 E42 S43 C52 V54V14-I39 HydrophobicContact CG1-CG1 3.99Å; V14-I39 HydrophobicContact CG2-CG1 4.12Å; L17-I39 HydrophobicContact CD2-CD1 3.53Å; L17-I39 HydrophobicContact CD2-CG1 3.91Å; P19-I39 HydrophobicContact CB-CG2 3.87Å; P19-I39 HydrophobicContact CG-CG2 4.43Å; I25-I39 HydrophobicContact CD1-CD1 4.44Å; I25-I39 HydrophobicContact CD1-CG2 3.77Å; I25-I39 HydrophobicContact CG2-CD1 4.16Å; I35-I39 HydrophobicContact CG2-CD1 3.7Å; I35-I39 HydrophobicContact CG2-CG1 4.29Å; I35-I39 WeakPolarHBondContact O-CG1 3.24Å; I35-I39 PolarHBondContact O-N 3.05Å; A36-I39 PolarHBondContact O-N 3.31Å; I39-S41 VanDerWaalsContact C-N 3.34Å; I39-S41 PolarHBondContact O-N 3Å; I39-E42 PolarHBondContact O-N 3.35Å; I39-S43 WeakPolarHBondContact O-CB 3.47Å; I39-S43 PolarHBondContact O-N 3.42Å; I39-S43 PolarHBondContact O-OG 3.15Å; I39-C52 HydrophobicContact CG2-CB 3.99Å; I39-V54 HydrophobicContact CB-CG2 4.07Å; I39-V54 HydrophobicContact CG2-CG2 3.46Å; I39-V54 VanDerWaalsContact CG2-CG2 3.46Å
40S94.6Very high93.1Very high0 Ų047.1 Ų47.10%025%0.245CC..Hα-helixtrans-60.4-42.1175.21790000111.7A36 R38 S43 R44 T77A36-S40 WeakPolarHBondContact O-CB 3.43Å; A36-S40 PolarHBondContact O-N 2.95Å; R38-S40 VanDerWaalsContact C-N 3.35Å; R38-S40 PolarHBondContact O-N 2.8Å; S40-S43 PolarHBondContact O-OG 3.42Å; S40-R44 WeakPolarHBondContact O-CB 3.19Å; S40-R44 WeakPolarHBondContact O-CG 3.26Å; S40-R44 PolarHBondContact O-N 3.4Å; S40-R44 PolarHBondContact O-NE 3.24Å; S40-T77 PolarHBondContact OG-N 2.66Å; S40-T77 PolarHBondContact OG-O 3.18Å
41S93.3Very high92.8Very high42 Ų4247.4 Ų47.429%0.29425%0.245SC..Hα-helixtrans-61.5-52.1174.8173.50000112.3L37 R38 I39 R44 K45L37-S41 WeakPolarHBondContact O-CB 3.42Å; L37-S41 PolarHBondContact O-N 3.03Å; R38-S41 WeakPolarHBondContact O-CB 3.44Å; R38-S41 PolarHBondContact O-N 3.42Å; I39-S41 VanDerWaalsContact C-N 3.34Å; I39-S41 PolarHBondContact O-N 3Å; S41-R44 PolarHBondContact O-N 3.17Å; S41-K45 WeakPolarHBondContact O-CG 3.41Å; S41-K45 PolarHBondContact O-N 2.92Å
42E93Very high92.8Very high76 Ų7647.2 Ų47.236%0.35524%0.243SC..Hα-helixtrans-65.8-43.8-177.1-67.4-51.9113.600112.3V14 P19 R38 I39 R44 K45 I46V14-E42 HydrophobicContact CG1-CG 4.13Å; P19-E42 HydrophobicContact CG-CB 4.03Å; R38-E42 WeakPolarHBondContact O-CG 3.35Å; R38-E42 PolarHBondContact O-N 3.08Å; I39-E42 PolarHBondContact O-N 3.35Å; E42-R44 VanDerWaalsContact C-N 3.33Å; E42-R44 PolarHBondContact O-N 2.93Å; E42-K45 WeakPolarHBondContact O-CB 2.92Å; E42-K45 PolarHBondContact O-N 2.82Å; E42-K45 IonicContact OE1-NZ 2.9Å; E42-K45 PolarHBondContact OE1-NZ 3.13Å; E42-K45 IonicContact OE2-NZ 3.86Å; E42-I46 PolarHBondContact O-N 3.47Å
43S93Very high92.9Very high0 Ų050.5 Ų50.50%026%0.256CS..Hα-helixtrans-65.5-35.3179.6600000112.8I39 S40 I46 S47 P51 C52I39-S43 WeakPolarHBondContact O-CB 3.47Å; I39-S43 PolarHBondContact O-N 3.42Å; I39-S43 PolarHBondContact O-OG 3.15Å; S40-S43 PolarHBondContact O-OG 3.42Å; S43-I46 PolarHBondContact O-N 3.18Å; S43-S47 PolarHBondContact O-N 2.78Å; S43-P51 WeakPolarHBondContact OG-CB 3.23Å; S43-C52 WeakPolarHBondContact CB-SG 3.14Å; S43-C52 PolarHBondContact OG-N 2.94Å
44R90.2Very high93Very high59 Ų5950.6 Ų50.622%0.22326%0.256CS..Hα-helixtrans-68.9-31175.3-75.4-177.8-61.1177.91.7113.9S40 S41 E42 I46 S47 P48 P51 R75 T77S40-R44 WeakPolarHBondContact O-CB 3.19Å; S40-R44 WeakPolarHBondContact O-CG 3.26Å; S40-R44 PolarHBondContact O-N 3.4Å; S40-R44 PolarHBondContact O-NE 3.24Å; S41-R44 PolarHBondContact O-N 3.17Å; E42-R44 VanDerWaalsContact C-N 3.33Å; E42-R44 PolarHBondContact O-N 2.93Å; R44-I46 PolarHBondContact O-N 3.18Å; R44-S47 CarbonylContact O-C 3.51Å; R44-P48 WeakPolarHBondContact O-CA 3.29Å; R44-P48 WeakPolarHBondContact O-CD 3.39Å; R44-P48 VanDerWaalsContact O-CG 3.31Å; R44-P48 WeakPolarHBondContact O-CG 3.31Å; R44-P51 HydrophobicContact CG-CB 3.64Å; R44-P51 HydrophobicContact CG-CG 4.03Å; R44-R75 PolarHBondContact NH1-O 2.87Å; R44-T77 WeakPolarHBondContact CD-OG1 3.35Å
45K90.8Very high93.1Very high144 Ų14449 Ų4963%0.62625%0.248SC*.Hα-helixtrans-62.1-32.1173.3-69.7170.6-176.51730111.4S41 E42S41-K45 WeakPolarHBondContact O-CG 3.41Å; S41-K45 PolarHBondContact O-N 2.92Å; E42-K45 WeakPolarHBondContact O-CB 2.92Å; E42-K45 PolarHBondContact O-N 2.82Å; E42-K45 IonicContact OE1-NZ 2.9Å; E42-K45 PolarHBondContact OE1-NZ 3.13Å; E42-K45 IonicContact OE2-NZ 3.86Å
46I89.3Confident93.2Very high116 Ų11648.7 Ų48.760%0.59525%0.247SC*.Hα-helixtrans-87.2-45.9-179.6-57.1170.3000110.9P21 E42 S43 R44P21-I46 HydrophobicContact CG-CB 4.19Å; P21-I46 HydrophobicContact CG-CG2 3.7Å; E42-I46 PolarHBondContact O-N 3.47Å; S43-I46 PolarHBondContact O-N 3.18Å; R44-I46 PolarHBondContact O-N 3.18Å
47S89.7Confident93.2Very high19 Ų1948.8 Ų48.813%0.13325%0.247CC..  trans-139.593.9178.8-169.30000110.9S43 R44 S49 R50S43-S47 PolarHBondContact O-N 2.78Å; R44-S47 CarbonylContact O-C 3.51Å; S47-S49 VanDerWaalsContact C-N 3.29Å; S47-S49 PolarHBondContact O-N 3.37Å; S47-R50 CarbonylContact O-C 3.54Å; S47-R50 PolarHBondContact O-N 2.68Å
48P85.3Confident93.3Very high101 Ų10148 Ų4866%0.65624%0.244SC*.SBendtrans-61.9-34.6-179.7-24.232.2000113.7R44R44-P48 WeakPolarHBondContact O-CA 3.29Å; R44-P48 WeakPolarHBondContact O-CD 3.39Å; R44-P48 VanDerWaalsContact O-CG 3.31Å; R44-P48 WeakPolarHBondContact O-CG 3.31Å
49S85.5Confident93.4Very high103 Ų10350.4 Ų50.472%0.7226%0.259SS*.SBendtrans-81.4-27.4-175.855.30000113.4S47S47-S49 VanDerWaalsContact C-N 3.29Å; S47-S49 PolarHBondContact O-N 3.37Å
50R86.9Confident93.4Very high151 Ų15153.6 Ų53.657%0.5728%0.276SS*.SBendtrans-141.669.1-177.1-60.4-177.981.4-164.7-1.5110.9Y22 S47Y22-R50 HydrophobicContact CD1-CB 4.17Å; Y22-R50 HydrophobicContact CE1-CB 3.43Å; Y22-R50 VanDerWaalsContact CE1-CB 3.43Å; Y22-R50 HydrophobicContact CE1-CG 4.04Å; Y22-R50 VanDerWaalsContact CE1-CZ 3.49Å; S47-R50 CarbonylContact O-C 3.54Å; S47-R50 PolarHBondContact O-N 2.68Å
51P89.9Confident93.5Very high20 Ų2056.5 Ų56.513%0.1329%0.29CS..  trans-68.1179.517731-36000112S43 R44S43-P51 WeakPolarHBondContact OG-CB 3.23Å; R44-P51 HydrophobicContact CG-CB 3.64Å; R44-P51 HydrophobicContact CG-CG 4.03Å
52C95.2Very high93.7Very high0 Ų057.9 Ų57.90%030%0.299CS..  trans-58.5147.6170.4-660000111.1K20 M23 I25 I39 S43 V54K20-C52 PolarHBondContact O-SG 2.75Å; M23-C52 WeakPolarHBondContact O-CA 2.98Å; I25-C52 HydrophobicContact CD1-CB 4.23Å; I39-C52 HydrophobicContact CG2-CB 3.99Å; S43-C52 WeakPolarHBondContact CB-SG 3.14Å; S43-C52 PolarHBondContact OG-N 2.94Å; C52-V54 HydrophobicContact CB-CG2 4.21Å
53E96.9Very high93.8Very high98 Ų9857.7 Ų57.746%0.45830%0.299SS..EExtended strand (participates in β ladder)trans-92112163.6-68.1-178.1-172.800108.4M23 R24 I25 G78M23-E53 PolarHBondContact O-N 3.09Å; R24-E53 CarbonylContact C-O 3.53Å; R24-E53 VanDerWaalsContact CA-O 3.32Å; R24-E53 WeakPolarHBondContact CA-O 3.4Å; R24-E53 HydrophobicContact CG-CB 4.32Å; R24-E53 IonicContact CZ-OE2 3.55Å; R24-E53 IonicContact NE-OE2 2.83Å; R24-E53 PolarHBondContact NE-OE2 2.75Å; R24-E53 IonicContact NH2-OE2 3.36Å; R24-E53 PolarHBondContact NH2-OE2 2.88Å; I25-E53 PolarHBondContact N-O 2.89Å; E53-G78 CarbonylContact C-O 3.56Å; E53-G78 WeakPolarHBondContact CA-O 3.46Å
54V98.6Very high94.1Very high1 Ų157.7 Ų57.71%0.00630%0.299CS..EExtended strand (participates in β ladder)trans-108.2121.2176.2-166.10000109.4I25 D27 A36 I39 C52 V56 G78 L79 S80I25-V54 HydrophobicContact CB-CG1 4.46Å; I25-V54 HydrophobicContact CB-CG2 4.48Å; I25-V54 CarbonylContact O-C 3.56Å; I25-V54 VanDerWaalsContact O-CA 3.27Å; I25-V54 WeakPolarHBondContact O-CA 3.36Å; D27-V54 HydrophobicContact CB-CG1 3.92Å; A36-V54 HydrophobicContact CB-CB 4.43Å; A36-V54 HydrophobicContact CB-CG1 3.76Å; I39-V54 HydrophobicContact CB-CG2 4.07Å; I39-V54 HydrophobicContact CG2-CG2 3.46Å; I39-V54 VanDerWaalsContact CG2-CG2 3.46Å; C52-V54 HydrophobicContact CB-CG2 4.21Å; V54-V56 HydrophobicContact CG1-CG2 4.44Å; V54-G78 PolarHBondContact N-O 3.29Å; V54-L79 HydrophobicContact CB-CD2 3.61Å; V54-L79 HydrophobicContact CG1-CD2 4.44Å; V54-L79 HydrophobicContact CG2-CD2 3.94Å; V54-L79 WeakPolarHBondContact O-CA 3.45Å; V54-S80 PolarHBondContact O-N 2.93Å
55V98.7Very high94.5Very high13 Ų1358.3 Ų58.38%0.07931%0.307CS..EExtended strand (participates in β ladder)trans-95.8114.7170.4-174.40000107.4I25 L26 D27 T57 S80 F91 F96I25-V55 PolarHBondContact O-N 3.24Å; L26-V55 HydrophobicContact CD1-CB 4.19Å; L26-V55 HydrophobicContact CD1-CG1 4.26Å; L26-V55 WeakPolarHBondContact CD1-O 3.36Å; D27-V55 PolarHBondContact N-O 2.7Å; V55-T57 HydrophobicContact CG1-CG2 4.31Å; V55-S80 WeakPolarHBondContact CA-OG 3.39Å; V55-S80 WeakPolarHBondContact CG2-OG 3.47Å; V55-F91 HydrophobicContact CG1-CE1 4.12Å; V55-F91 HydrophobicContact CG1-CZ 3.65Å; V55-F96 HydrophobicContact CB-CE1 4.01Å; V55-F96 HydrophobicContact CB-CZ 4.31Å; V55-F96 HydrophobicContact CG2-CE1 3.65Å; V55-F96 HydrophobicContact CG2-CZ 4.14Å
56V98.8Very high94.8Very high0 Ų054.4 Ų54.40%030%0.295CS..EExtended strand (participates in β ladder)trans-93.6120.4177.4-168.70000108.6A36 V54 L64 S80 W81 L82A36-V56 HydrophobicContact CB-CG2 3.37Å; V54-V56 HydrophobicContact CG1-CG2 4.44Å; V56-L64 HydrophobicContact CG1-CD2 4.12Å; V56-S80 PolarHBondContact N-O 3.46Å; V56-W81 HydrophobicContact CB-CD2 4.16Å; V56-W81 HydrophobicContact CB-CE3 3.66Å; V56-W81 HydrophobicContact CB-CZ3 3.91Å; V56-W81 HydrophobicContact CG1-CE3 3.8Å; V56-W81 HydrophobicContact CG1-CZ3 3.68Å; V56-W81 HydrophobicContact CG2-CD2 4.32Å; V56-W81 HydrophobicContact CG2-CE3 4.08Å; V56-W81 HydrophobicContact CG2-CH2 4.22Å; V56-W81 HydrophobicContact CG2-CZ2 4.43Å; V56-W81 HydrophobicContact CG2-CZ3 4.03Å; V56-W81 WeakPolarHBondContact O-CA 3.46Å; V56-L82 PolarHBondContact O-N 3.44Å
57T98.8Very high95.2Very high1 Ų148.9 Ų48.91%0.00627%0.267CS..EExtended strand (participates in β ladder)trans-113.8143173.462.90000112.7L26 D27 A28 A29 G30 V55 L82 A84 F91L26-T57 HydrophobicContact CD1-CG2 3.68Å; D27-T57 PolarHBondContact O-N 3.32Å; A28-T57 WeakPolarHBondContact CA-OG1 3.37Å; A29-T57 CarbonylContact C-O 3.54Å; A29-T57 WeakPolarHBondContact CA-O 3.39Å; A29-T57 PolarHBondContact N-O 3.15Å; G30-T57 PolarHBondContact N-O 2.79Å; V55-T57 HydrophobicContact CG1-CG2 4.31Å; T57-L82 VanDerWaalsContact CA-O 3.23Å; T57-L82 WeakPolarHBondContact CA-O 3.15Å; T57-L82 HydrophobicContact CG2-CB 4.22Å; T57-A84 HydrophobicContact CG2-CB 4.08Å; T57-F91 HydrophobicContact CG2-CE2 3.82Å; T57-F91 HydrophobicContact CG2-CZ 3.8Å
58D98.5Very high95.6Very high14 Ų1452.5 Ų52.58%0.07528%0.277CS..EExtended strand (participates in β ladder)trans-156.1148172.1-156.2-75.5000109.8G31 N60 L64 L82 R83 A84G31-D58 WeakPolarHBondContact CA-OD2 3.33Å; G31-D58 PolarHBondContact N-OD2 2.9Å; D58-N60 PolarHBondContact O-N 3.37Å; D58-N60 WeakPolarHBondContact OD1-CB 3.47Å; D58-N60 PolarHBondContact OD1-N 3.06Å; D58-L64 HydrophobicContact CB-CD1 4.31Å; D58-L64 HydrophobicContact CB-CD2 3.67Å; D58-L64 HydrophobicContact CB-CG 3.87Å; D58-L82 PolarHBondContact N-O 3.28Å; D58-R83 VanDerWaalsContact O-CA 3.27Å; D58-R83 WeakPolarHBondContact O-CA 3.33Å; D58-A84 CarbonylContact C-O 3.13Å; D58-A84 VanDerWaalsContact C-O 3.23Å; D58-A84 PolarHBondContact O-N 3.12Å; D58-A84 VanDerWaalsContact O-N 3.16Å
59I97.3Very high96.2Very high101 Ų10153.5 Ų53.552%0.51827%0.274SS..SBendtrans-69.9-25.7175.1-161.9168.7000111.2R83 A84I59-R83 PolarHBondContact O-NE 2.89Å; I59-R83 VanDerWaalsContact O-NE 3.11Å; I59-A84 PolarHBondContact N-O 2.85Å
60N96.2Very high96.7Very high67 Ų6752.1 Ų52.136%0.35825%0.254SS..  trans-95.9103.1-176.5-171-19.8000112.2D58 S62 M63 L64D58-N60 PolarHBondContact O-N 3.37Å; D58-N60 WeakPolarHBondContact OD1-CB 3.47Å; D58-N60 PolarHBondContact OD1-N 3.06Å; N60-S62 PolarHBondContact O-N 3.32Å; N60-S62 WeakPolarHBondContact OD1-CB 3.2Å; N60-S62 PolarHBondContact OD1-N 3.04Å; N60-S62 PolarHBondContact OD1-OG 3.25Å; N60-M63 HydrophobicContact CB-CB 4.41Å; N60-M63 HydrophobicContact CB-CG 4.08Å; N60-M63 HydrophobicContact CB-SD 4.13Å; N60-M63 PolarHBondContact O-N 2.94Å; N60-M63 VanDerWaalsContact O-N 3.14Å; N60-L64 PolarHBondContact O-N 3.14Å
61Q97.7Very high97.2Very high61 Ų6145.3 Ų45.329%0.28523%0.23SC..Hα-helixtrans-58-32.1177.9-172.359.159.700113.5M63 L64 N65Q61-M63 VanDerWaalsContact C-N 3.33Å; Q61-M63 PolarHBondContact O-N 3.26Å; Q61-L64 PolarHBondContact O-N 3.41Å; Q61-N65 PolarHBondContact NE2-OD1 2.59Å; Q61-N65 PolarHBondContact O-N 3.34Å; Q61-N65 PolarHBondContact O-ND2 2.89Å; Q61-N65 PolarHBondContact O-OD1 2.77Å
62S97.4Very high97.5Very high71 Ų7152.5 Ų52.550%0.49726%0.26SS..Hα-helixtrans-65.8-37.3-179.672.60000111.6N60 N65 V66N60-S62 PolarHBondContact O-N 3.32Å; N60-S62 WeakPolarHBondContact OD1-CB 3.2Å; N60-S62 PolarHBondContact OD1-N 3.04Å; N60-S62 PolarHBondContact OD1-OG 3.25Å; S62-N65 PolarHBondContact O-N 3.09Å; S62-V66 WeakPolarHBondContact O-CG2 3.24Å; S62-V66 PolarHBondContact O-N 2.78Å; S62-V66 VanDerWaalsContact O-N 3.14Å
63M96Very high97.5Very high71 Ų7160.1 Ų60.135%0.3530%0.295SS..Hα-helixtrans-66.9-42.9176.3-66.1-176.176.300111.5G31 T32 N60 Q61 N65 V66 G67G31-M63 VanDerWaalsContact CA-CE 3.5Å; G31-M63 CarbonylContact O-C 3.58Å; T32-M63 HydrophobicContact CG2-CB 4.43Å; N60-M63 HydrophobicContact CB-CB 4.41Å; N60-M63 HydrophobicContact CB-CG 4.08Å; N60-M63 HydrophobicContact CB-SD 4.13Å; N60-M63 PolarHBondContact O-N 2.94Å; N60-M63 VanDerWaalsContact O-N 3.14Å; Q61-M63 VanDerWaalsContact C-N 3.33Å; Q61-M63 PolarHBondContact O-N 3.26Å; M63-N65 VanDerWaalsContact C-N 3.31Å; M63-N65 PolarHBondContact O-N 3.48Å; M63-V66 PolarHBondContact O-N 3.18Å; M63-G67 PolarHBondContact O-N 2.95Å
64L98.4Very high97.3Very high0 Ų058.4 Ų58.40%029%0.294CS..Hα-helixtrans-61.4-39.1175-62174.4000111.8V56 D58 N60 Q61 G67 R68 W81 R83V56-L64 HydrophobicContact CG1-CD2 4.12Å; D58-L64 HydrophobicContact CB-CD1 4.31Å; D58-L64 HydrophobicContact CB-CD2 3.67Å; D58-L64 HydrophobicContact CB-CG 3.87Å; N60-L64 PolarHBondContact O-N 3.14Å; Q61-L64 PolarHBondContact O-N 3.41Å; L64-G67 PolarHBondContact O-N 3.14Å; L64-R68 WeakPolarHBondContact O-CG 3.38Å; L64-R68 PolarHBondContact O-N 3.42Å; L64-W81 HydrophobicContact CB-CE3 4.32Å; L64-W81 HydrophobicContact CD2-CE3 3.77Å; L64-W81 HydrophobicContact CD2-CZ3 4.41Å; L64-R83 HydrophobicContact CD1-CB 4.11Å
65N98.4Very high97Very high73 Ų7368.2 Ų68.239%0.3933%0.331SS..Hα-helixtrans-63.3-43.8177.5-69.8-13.9000111.8Q61 S62 M63 G67 R68 Q69Q61-N65 PolarHBondContact NE2-OD1 2.59Å; Q61-N65 PolarHBondContact O-N 3.34Å; Q61-N65 PolarHBondContact O-ND2 2.89Å; Q61-N65 PolarHBondContact O-OD1 2.77Å; S62-N65 PolarHBondContact O-N 3.09Å; M63-N65 VanDerWaalsContact C-N 3.31Å; M63-N65 PolarHBondContact O-N 3.48Å; N65-G67 VanDerWaalsContact C-N 3.33Å; N65-R68 PolarHBondContact O-N 2.82Å; N65-Q69 PolarHBondContact O-N 2.73Å; N65-Q69 VanDerWaalsContact O-N 3.15Å
66V97.6Very high96.7Very high61 Ų6168.4 Ų68.437%0.3733%0.334SS..Hα-helixtrans-62-42.9172.9173.70000110.6T32 S62 M63 R68 Q69 K70T32-V66 HydrophobicContact CG2-CB 4Å; T32-V66 HydrophobicContact CG2-CG1 3.75Å; S62-V66 WeakPolarHBondContact O-CG2 3.24Å; S62-V66 PolarHBondContact O-N 2.78Å; S62-V66 VanDerWaalsContact O-N 3.14Å; M63-V66 PolarHBondContact O-N 3.18Å; V66-R68 PolarHBondContact O-N 3.18Å; V66-Q69 WeakPolarHBondContact O-CB 3.3Å; V66-Q69 PolarHBondContact O-N 3.02Å; V66-K70 HydrophobicContact CG1-CD 4.41Å; V66-K70 WeakPolarHBondContact O-CG 3.28Å; V66-K70 PolarHBondContact O-N 3.33Å
67G97.6Very high96.4Very high0 Ų071.6 Ų71.60%035%0.354CS..Hα-helixtrans-59.6-43.6176.200000113.3T32 M63 L64 N65 Q69 K70 A71 W81T32-G67 VanDerWaalsContact O-CA 3.27Å; T32-G67 WeakPolarHBondContact O-CA 3.39Å; M63-G67 PolarHBondContact O-N 2.95Å; L64-G67 PolarHBondContact O-N 3.14Å; N65-G67 VanDerWaalsContact C-N 3.33Å; G67-Q69 VanDerWaalsContact C-N 3.31Å; G67-Q69 PolarHBondContact O-N 3.21Å; G67-K70 PolarHBondContact O-N 3.14Å; G67-A71 WeakPolarHBondContact O-CB 3.36Å; G67-A71 PolarHBondContact O-N 3.47Å; G67-W81 VanDerWaalsContact C-CZ2 3.44Å; G67-W81 WeakPolarHBondContact O-CH2 3.39Å; G67-W81 WeakPolarHBondContact O-CZ2 3.46Å
68R97.9Very high96.2Very high95 Ų9573.1 Ų73.136%0.35837%0.37SS..Hα-helixtrans-58.7-41.4173.6-73.3172.9-176.5176.5-0.5112L64 N65 V66 A71 K72 W81L64-R68 WeakPolarHBondContact O-CG 3.38Å; L64-R68 PolarHBondContact O-N 3.42Å; N65-R68 PolarHBondContact O-N 2.82Å; V66-R68 PolarHBondContact O-N 3.18Å; R68-A71 PolarHBondContact O-N 2.87Å; R68-K72 WeakPolarHBondContact O-CG 3.4Å; R68-K72 PolarHBondContact O-N 3.49Å; R68-W81 HydrophobicContact CG-CB 4.15Å; R68-W81 HydrophobicContact CG-CD2 3.77Å; R68-W81 HydrophobicContact CG-CG 3.55Å; R68-W81 PolarHBondContact NH2-O 3.41Å
69Q97.8Very high96.1Very high123 Ų12374 Ų7458%0.57537%0.374SS*.Hα-helixtrans-65.2-46.4176.5-71.1177.5-23.600111.5N65 V66 G67 A71 K72 Q73N65-Q69 PolarHBondContact O-N 2.73Å; N65-Q69 VanDerWaalsContact O-N 3.15Å; V66-Q69 WeakPolarHBondContact O-CB 3.3Å; V66-Q69 PolarHBondContact O-N 3.02Å; G67-Q69 VanDerWaalsContact C-N 3.31Å; G67-Q69 PolarHBondContact O-N 3.21Å; Q69-A71 VanDerWaalsContact C-N 3.32Å; Q69-A71 PolarHBondContact O-N 3.1Å; Q69-K72 PolarHBondContact O-N 3.19Å; Q69-Q73 WeakPolarHBondContact O-CG 3.34Å; Q69-Q73 PolarHBondContact O-N 3.14Å
70K96.8Very high96.1Very high73 Ų7371.8 Ų71.832%0.31737%0.368SS..Hα-helixtrans-58.8-41.6175-71.7178.7174.2-177.60112.2T32 D34 L37 V66 G67 Q73 S74T32-K70 PolarHBondContact OG1-NZ 3.2Å; D34-K70 IonicContact OD1-NZ 3.53Å; L37-K70 HydrophobicContact CD1-CB 3.98Å; L37-K70 HydrophobicContact CD1-CD 4.46Å; V66-K70 HydrophobicContact CG1-CD 4.41Å; V66-K70 WeakPolarHBondContact O-CG 3.28Å; V66-K70 PolarHBondContact O-N 3.33Å; G67-K70 PolarHBondContact O-N 3.14Å; K70-Q73 PolarHBondContact O-N 3.34Å; K70-S74 WeakPolarHBondContact O-CB 3.4Å; K70-S74 PolarHBondContact O-N 2.79Å; K70-S74 PolarHBondContact O-OG 3.49Å
71A96.9Very high96.2Very high8 Ų870.1 Ų70.17%0.06636%0.357CS..Hα-helixtrans-62.4-43.4176.800000112.2L37 G67 R68 Q69 S74 R75 A76 L79 W81L37-A71 HydrophobicContact CD2-CB 3.97Å; G67-A71 WeakPolarHBondContact O-CB 3.36Å; G67-A71 PolarHBondContact O-N 3.47Å; R68-A71 PolarHBondContact O-N 2.87Å; Q69-A71 VanDerWaalsContact C-N 3.32Å; Q69-A71 PolarHBondContact O-N 3.1Å; A71-S74 PolarHBondContact O-N 3.03Å; A71-S74 PolarHBondContact O-OG 2.87Å; A71-R75 CarbonylContact O-C 3.23Å; A71-R75 WeakPolarHBondContact O-CA 3.46Å; A71-R75 PolarHBondContact O-N 3.32Å; A71-A76 HydrophobicContact CB-CB 4.14Å; A71-A76 PolarHBondContact O-N 3.26Å; A71-L79 HydrophobicContact CB-CD1 3.99Å; A71-W81 HydrophobicContact CB-CZ2 3.92Å
72K96.3Very high96.3Very high172 Ų17270.5 Ų70.575%0.74836%0.36SS*.Hα-helixtrans-61.5-46.8174.1-71.7177.6-179.2-173.70111.8R68 Q69 S74 R75R68-K72 WeakPolarHBondContact O-CG 3.4Å; R68-K72 PolarHBondContact O-N 3.49Å; Q69-K72 PolarHBondContact O-N 3.19Å; K72-S74 PolarHBondContact O-N 3.3Å; K72-R75 PolarHBondContact O-N 3.16Å; K72-R75 VanDerWaalsContact O-N 3.12Å
73Q95.7Very high96.3Very high159 Ų15974.8 Ų74.874%0.74337%0.365SS*.Hα-helixtrans-62.8-40.7-179.5-71.7170.4-6.800112.7Q69 K70 R75Q69-Q73 WeakPolarHBondContact O-CG 3.34Å; Q69-Q73 PolarHBondContact O-N 3.14Å; K70-Q73 PolarHBondContact O-N 3.34Å; Q73-R75 VanDerWaalsContact C-N 3.25Å; Q73-R75 PolarHBondContact O-N 2.77Å
74S92.2Very high96.5Very high63 Ų6371.9 Ų71.944%0.44135%0.353SS..THydrogen-bonded Turntrans-84.43.8176.9590000113.8K70 A71 K72 A76K70-S74 WeakPolarHBondContact O-CB 3.4Å; K70-S74 PolarHBondContact O-N 2.79Å; K70-S74 PolarHBondContact O-OG 3.49Å; A71-S74 PolarHBondContact O-N 3.03Å; A71-S74 PolarHBondContact O-OG 2.87Å; K72-S74 PolarHBondContact O-N 3.3Å; S74-A76 PolarHBondContact O-N 3.01Å; S74-A76 VanDerWaalsContact O-N 3.11Å
75R91.7Very high96.5Very high206 Ų20674.9 Ų74.978%0.77737%0.369SS*.THydrogen-bonded Turntrans5031.4-173.7-58.4-179.2178.1142.5-0.9112.8R44 A71 K72 Q73R44-R75 PolarHBondContact NH1-O 2.87Å; A71-R75 CarbonylContact O-C 3.23Å; A71-R75 WeakPolarHBondContact O-CA 3.46Å; A71-R75 PolarHBondContact O-N 3.32Å; K72-R75 PolarHBondContact O-N 3.16Å; K72-R75 VanDerWaalsContact O-N 3.12Å; Q73-R75 VanDerWaalsContact C-N 3.25Å; Q73-R75 PolarHBondContact O-N 2.77Å
76A93.1Very high96.5Very high18 Ų1871.8 Ų71.815%0.14935%0.353CS..  trans-62.1139.2178.600000110.8L37 A71 S74 L79L37-A76 HydrophobicContact CD2-CB 3.56Å; A71-A76 HydrophobicContact CB-CB 4.14Å; A71-A76 PolarHBondContact O-N 3.26Å; S74-A76 PolarHBondContact O-N 3.01Å; S74-A76 VanDerWaalsContact O-N 3.11Å; A76-L79 HydrophobicContact CB-CD1 3.74Å; A76-L79 HydrophobicContact CB-CG 4.43Å
77T92.8Very high96.5Very high67 Ų6770.2 Ų70.241%0.41134%0.342SS..  trans-124166.9178.462.40000110.5S40 R44 L79S40-T77 PolarHBondContact OG-N 2.66Å; S40-T77 PolarHBondContact OG-O 3.18Å; R44-T77 WeakPolarHBondContact CD-OG1 3.35Å; T77-L79 PolarHBondContact O-N 2.75Å
78G93.4Very high96.5Very high33 Ų3377.8 Ų77.834%0.3438%0.377SS..SBendtrans72.315.3-176.500000113.7E53 V54E53-G78 CarbonylContact C-O 3.56Å; E53-G78 WeakPolarHBondContact CA-O 3.46Å; V54-G78 PolarHBondContact N-O 3.29Å
79L97Very high96.6Very high32 Ų3273.6 Ų73.617%0.16836%0.362CS..EExtended strand (participates in β ladder)trans-105130.4-179.1-57.6-172.4000111.3A36 L37 V54 A71 A76 T77 W81A36-L79 HydrophobicContact CB-CD2 4.01Å; L37-L79 HydrophobicContact CD2-CD1 3.8Å; L37-L79 HydrophobicContact CG-CD1 4.46Å; V54-L79 HydrophobicContact CB-CD2 3.61Å; V54-L79 HydrophobicContact CG1-CD2 4.44Å; V54-L79 HydrophobicContact CG2-CD2 3.94Å; V54-L79 WeakPolarHBondContact O-CA 3.45Å; A71-L79 HydrophobicContact CB-CD1 3.99Å; A76-L79 HydrophobicContact CB-CD1 3.74Å; A76-L79 HydrophobicContact CB-CG 4.43Å; T77-L79 PolarHBondContact O-N 2.75Å; L79-W81 HydrophobicContact CD1-CZ2 4.05Å
80S98.1Very high96.6Very high55 Ų5571.7 Ų71.739%0.38536%0.36SS..EExtended strand (participates in β ladder)trans-122.1157.116763.50000110V54 V55 V56V54-S80 PolarHBondContact O-N 2.93Å; V55-S80 WeakPolarHBondContact CA-OG 3.39Å; V55-S80 WeakPolarHBondContact CG2-OG 3.47Å; V56-S80 PolarHBondContact N-O 3.46Å
81W98.6Very high96.7Very high32 Ų3270 Ų7012%0.12135%0.353CS..EExtended strand (participates in β ladder)trans-138117.4-167.8-57.382000109.9V56 L64 G67 R68 A71 L79V56-W81 HydrophobicContact CB-CD2 4.16Å; V56-W81 HydrophobicContact CB-CE3 3.66Å; V56-W81 HydrophobicContact CB-CZ3 3.91Å; V56-W81 HydrophobicContact CG1-CE3 3.8Å; V56-W81 HydrophobicContact CG1-CZ3 3.68Å; V56-W81 HydrophobicContact CG2-CD2 4.32Å; V56-W81 HydrophobicContact CG2-CE3 4.08Å; V56-W81 HydrophobicContact CG2-CH2 4.22Å; V56-W81 HydrophobicContact CG2-CZ2 4.43Å; V56-W81 HydrophobicContact CG2-CZ3 4.03Å; V56-W81 WeakPolarHBondContact O-CA 3.46Å; L64-W81 HydrophobicContact CB-CE3 4.32Å; L64-W81 HydrophobicContact CD2-CE3 3.77Å; L64-W81 HydrophobicContact CD2-CZ3 4.41Å; G67-W81 VanDerWaalsContact C-CZ2 3.44Å; G67-W81 WeakPolarHBondContact O-CH2 3.39Å; G67-W81 WeakPolarHBondContact O-CZ2 3.46Å; R68-W81 HydrophobicContact CG-CB 4.15Å; R68-W81 HydrophobicContact CG-CD2 3.77Å; R68-W81 HydrophobicContact CG-CG 3.55Å; R68-W81 PolarHBondContact NH2-O 3.41Å; A71-W81 HydrophobicContact CB-CZ2 3.92Å; L79-W81 HydrophobicContact CD1-CZ2 4.05Å
82L98.5Very high96.8Very high68 Ų6875.8 Ų75.836%0.35638%0.383SS..EExtended strand (participates in β ladder)trans-131.7130.4-175.2178.366.1000110.5V56 T57 D58 A84 P90 F91V56-L82 PolarHBondContact O-N 3.44Å; T57-L82 VanDerWaalsContact CA-O 3.23Å; T57-L82 WeakPolarHBondContact CA-O 3.15Å; T57-L82 HydrophobicContact CG2-CB 4.22Å; D58-L82 PolarHBondContact N-O 3.28Å; L82-A84 PolarHBondContact O-N 2.96Å; L82-P90 HydrophobicContact CD2-CG 3.66Å; L82-F91 HydrophobicContact CD2-CE1 3.74Å; L82-F91 HydrophobicContact CD2-CZ 3.59Å
83R98.7Very high96.9Very high161 Ų16172.1 Ų72.161%0.60837%0.372SS*.EExtended strand (participates in β ladder)trans-74.1119.4169.8-176.1-173.5175.6-160.7-10.1108.9D58 I59 L64D58-R83 VanDerWaalsContact O-CA 3.27Å; D58-R83 WeakPolarHBondContact O-CA 3.33Å; I59-R83 PolarHBondContact O-NE 2.89Å; I59-R83 VanDerWaalsContact O-NE 3.11Å; L64-R83 HydrophobicContact CD1-CB 4.11Å
84A98.5Very high97Very high11 Ų1167 Ų679%0.09135%0.349CS..  trans-154.7151.2178.800000110.4T57 D58 I59 L82 L89 P90T57-A84 HydrophobicContact CG2-CB 4.08Å; D58-A84 CarbonylContact C-O 3.13Å; D58-A84 VanDerWaalsContact C-O 3.23Å; D58-A84 PolarHBondContact O-N 3.12Å; D58-A84 VanDerWaalsContact O-N 3.16Å; I59-A84 PolarHBondContact N-O 2.85Å; L82-A84 PolarHBondContact O-N 2.96Å; A84-L89 HydrophobicContact CB-CD2 4.4Å; A84-P90 HydrophobicContact CB-CG 3.99Å
85D98.3Very high97.3Very high63 Ų6365.4 Ų65.434%0.33734%0.337SS..BIsolated β-bridgetrans-80.7135.7168.3-164.8-24.3000108.9E87 E88 L89D85-E87 PolarHBondContact O-N 3.25Å; D85-E87 PolarHBondContact OD1-N 2.85Å; D85-E88 CarbonylContact O-C 3.55Å; D85-E88 VanDerWaalsContact O-C 3.25Å; D85-E88 PolarHBondContact O-N 3.11Å; D85-L89 WeakPolarHBondContact O-CD2 3.48Å
86A98.3Very high97.6Very high7 Ų755.7 Ų55.76%0.05830%0.3CS..THydrogen-bonded Turntrans-69.8-18.7175.200000112.2V114A86-V114 HydrophobicContact CB-CG1 4.1Å; A86-V114 HydrophobicContact CB-CG2 4.2Å
87E98.5Very high97.9Very high28 Ų2857.3 Ų57.313%0.13131%0.306CS..THydrogen-bonded Turntrans-81.9-13174.3-62.5-174.4-158.200113.5D85 T109 H110 K113 V114 E117D85-E87 PolarHBondContact O-N 3.25Å; D85-E87 PolarHBondContact OD1-N 2.85Å; E87-T109 WeakPolarHBondContact OE1-CA 3.41Å; E87-T109 PolarHBondContact OE1-N 3.19Å; E87-H110 PolarHBondContact OE1-N 3.37Å; E87-H110 IonicContact OE1-ND1 3.09Å; E87-H110 WeakPolarHBondContact OE2-CB 3.48Å; E87-H110 IonicContact OE2-CE1 2.75Å; E87-H110 IonicContact OE2-CG 2.89Å; E87-H110 IonicContact OE2-ND1 3.33Å; E87-H110 PolarHBondContact OE2-ND1 3.23Å; E87-K113 HydrophobicContact CB-CB 4.06Å; E87-K113 HydrophobicContact CB-CD 4.39Å; E87-K113 HydrophobicContact CG-CB 4.22Å; E87-V114 HydrophobicContact CG-CG2 3.69Å; E87-E117 WeakPolarHBondContact O-CG 3.23Å
88E98.4Very high98.1Very high160 Ų16054.1 Ų54.175%0.74829%0.287SS*.BIsolated β-bridgetrans-153.184.1179.7-169.8176.7-170.400110.3D85D85-E88 CarbonylContact O-C 3.55Å; D85-E88 VanDerWaalsContact O-C 3.25Å; D85-E88 PolarHBondContact O-N 3.11Å
89L98.6Very high98.4Very high6 Ų652.5 Ų52.53%0.03127%0.271CS..  trans-84.2130.6-174.1-68.3169.1000111.7L26 A84 D85 F91 Y99 E117 R120 V121L26-L89 HydrophobicContact CD2-CD1 3.66Å; L26-L89 HydrophobicContact CD2-CD2 4.3Å; A84-L89 HydrophobicContact CB-CD2 4.4Å; D85-L89 WeakPolarHBondContact O-CD2 3.48Å; L89-F91 HydrophobicContact CB-CD2 3.92Å; L89-F91 HydrophobicContact CB-CE2 4.47Å; L89-F91 HydrophobicContact CD2-CD2 4.43Å; L89-F91 HydrophobicContact CD2-CE2 4.2Å; L89-F91 PolarHBondContact O-N 2.92Å; L89-Y99 HydrophobicContact CD1-CE2 3.86Å; L89-E117 WeakPolarHBondContact CA-OE2 3.38Å; L89-E117 WeakPolarHBondContact CB-OE2 3.5Å; L89-E117 HydrophobicContact CD1-CB 3.98Å; L89-E117 HydrophobicContact CG-CB 4.33Å; L89-E117 PolarHBondContact N-OE2 3.25Å; L89-R120 PolarHBondContact O-NH2 3.35Å; L89-V121 HydrophobicContact CB-CG1 4.21Å; L89-V121 HydrophobicContact CD1-CG1 4.05Å; L89-V121 HydrophobicContact CD1-CG2 4.11Å
90P98.4Very high98.5Very high84 Ų8451 Ų5155%0.54526%0.263SS..SBendtrans-82.144.8-178.437-39.7000112.3L82 A84L82-P90 HydrophobicContact CD2-CG 3.66Å; A84-P90 HydrophobicContact CB-CG 3.99Å
91F98.7Very high98.5Very high36 Ų3648.4 Ų48.416%0.15824%0.244CC..SBendtrans-121.1153.2177.6-54.8-62.9000110.5L26 V55 T57 L82 L89 F96 R120 V121L26-F91 HydrophobicContact CD1-CD2 4.47Å; L26-F91 HydrophobicContact CD1-CE2 3.63Å; L26-F91 HydrophobicContact CD1-CZ 4.14Å; L26-F91 HydrophobicContact CD2-CD2 4.08Å; L26-F91 HydrophobicContact CD2-CE2 3.97Å; L26-F91 HydrophobicContact CG-CE2 4.49Å; V55-F91 HydrophobicContact CG1-CE1 4.12Å; V55-F91 HydrophobicContact CG1-CZ 3.65Å; T57-F91 HydrophobicContact CG2-CE2 3.82Å; T57-F91 HydrophobicContact CG2-CZ 3.8Å; L82-F91 HydrophobicContact CD2-CE1 3.74Å; L82-F91 HydrophobicContact CD2-CZ 3.59Å; L89-F91 HydrophobicContact CB-CD2 3.92Å; L89-F91 HydrophobicContact CB-CE2 4.47Å; L89-F91 HydrophobicContact CD2-CD2 4.43Å; L89-F91 HydrophobicContact CD2-CE2 4.2Å; L89-F91 PolarHBondContact O-N 2.92Å; F91-F96 HydrophobicContact CB-CE2 3.94Å; F91-F96 HydrophobicContact CD1-CE2 4.15Å; F91-F96 AromaticContact CD1-CZ 3.95Å; F91-F96 HydrophobicContact CD1-CZ 3.95Å; F91-F96 AromaticContact CD2-CE2 3.58Å; F91-F96 HydrophobicContact CD2-CE2 3.58Å; F91-F96 AromaticContact CD2-CZ 3.91Å; F91-F96 HydrophobicContact CD2-CZ 3.91Å; F91-F96 HydrophobicContact CE1-CZ 4.06Å; F91-F96 HydrophobicContact CE2-CE2 4.11Å; F91-F96 HydrophobicContact CE2-CZ 4.03Å; F91-F96 AromaticContact CG-CE2 3.62Å; F91-F96 HydrophobicContact CG-CE2 3.62Å; F91-F96 AromaticContact CG-CZ 3.88Å; F91-F96 HydrophobicContact CG-CZ 3.88Å; F91-F96 HydrophobicContact CZ-CZ 4.1Å; F91-R120 PolarHBondContact O-NH1 2.75Å; F91-R120 PolarHBondContact O-NH2 3.42Å; F91-V121 HydrophobicContact CB-CG1 4.03Å
92N98.4Very high98.4Very high131 Ų13147.6 Ų47.670%0.70125%0.245SC*.  trans-71160.6172.8-66-29.5000111T95N92-T95 PolarHBondContact O-OG1 3.38Å
93D98.4Very high98.1Very high95 Ų9545.7 Ų45.751%0.50823%0.234SC..THydrogen-bonded Turntrans-58.4146.9171.2-61.510.2000110.7T95 R120D93-T95 PolarHBondContact O-N 3.26Å; D93-R120 WeakPolarHBondContact CA-O 3.3Å; D93-R120 HydrophobicContact CB-CG 4.37Å; D93-R120 VanDerWaalsContact OD1-CD 3.28Å; D93-R120 WeakPolarHBondContact OD1-CD 3.42Å; D93-R120 WeakPolarHBondContact OD1-CG 3.37Å; D93-R120 IonicContact OD1-CZ 3.6Å; D93-R120 IonicContact OD1-NE 3.98Å; D93-R120 IonicContact OD1-NH1 3.03Å; D93-R120 PolarHBondContact OD1-NH1 2.94Å
94N97.9Very high97.9Very high51 Ų5138.3 Ų38.327%0.27321%0.207SC..THydrogen-bonded Turntrans56.647.4173.7-45.2-61.8000113.9R120 L122 M123 P124 K212N94-R120 PolarHBondContact N-O 2.97Å; N94-L122 WeakPolarHBondContact CA-O 3.43Å; N94-L122 PolarHBondContact OD1-O 3.43Å; N94-L122 VanDerWaalsContact OD1-O 3.12Å; N94-M123 VanDerWaalsContact C-CG 3.46Å; N94-M123 HydrophobicContact CB-CG 4.15Å; N94-M123 WeakPolarHBondContact O-CG 3.43Å; N94-P124 WeakPolarHBondContact OD1-CD 3.37Å; N94-K212 PolarHBondContact OD1-NZ 3.21Å
95T98.5Very high97.8Very high30 Ų3037.8 Ų37.818%0.18420%0.203CC..  trans-98.6-32.5-177.9-63.70000113.4N92 D93 V121N92-T95 PolarHBondContact O-OG1 3.38Å; D93-T95 PolarHBondContact O-N 3.26Å; T95-V121 PolarHBondContact N-O 2.99Å
96F98.8Very high97.6Very high2 Ų236.6 Ų36.61%0.00919%0.194CC..EExtended strand (participates in β ladder)trans-116.6144.3-170.1-59.6-79.8000113R24 L26 V55 F91 V121 L122 M123R24-F96 HydrophobicContact CB-CD1 4.2Å; L26-F96 HydrophobicContact CB-CB 4.46Å; L26-F96 HydrophobicContact CB-CD1 3.81Å; L26-F96 HydrophobicContact CB-CD2 3.87Å; L26-F96 HydrophobicContact CB-CE1 3.92Å; L26-F96 HydrophobicContact CB-CE2 3.98Å; L26-F96 HydrophobicContact CB-CG 3.78Å; L26-F96 HydrophobicContact CB-CZ 4Å; L26-F96 HydrophobicContact CD1-CE2 4.49Å; L26-F96 HydrophobicContact CD1-CZ 4.19Å; L26-F96 HydrophobicContact CD2-CD2 4.17Å; L26-F96 HydrophobicContact CD2-CE2 3.9Å; L26-F96 HydrophobicContact CD2-CZ 4.4Å; L26-F96 HydrophobicContact CG-CE2 4.36Å; L26-F96 HydrophobicContact CG-CZ 4.43Å; V55-F96 HydrophobicContact CB-CE1 4.01Å; V55-F96 HydrophobicContact CB-CZ 4.31Å; V55-F96 HydrophobicContact CG2-CE1 3.65Å; V55-F96 HydrophobicContact CG2-CZ 4.14Å; F91-F96 HydrophobicContact CB-CE2 3.94Å; F91-F96 HydrophobicContact CD1-CE2 4.15Å; F91-F96 AromaticContact CD1-CZ 3.95Å; F91-F96 HydrophobicContact CD1-CZ 3.95Å; F91-F96 AromaticContact CD2-CE2 3.58Å; F91-F96 HydrophobicContact CD2-CE2 3.58Å; F91-F96 AromaticContact CD2-CZ 3.91Å; F91-F96 HydrophobicContact CD2-CZ 3.91Å; F91-F96 HydrophobicContact CE1-CZ 4.06Å; F91-F96 HydrophobicContact CE2-CE2 4.11Å; F91-F96 HydrophobicContact CE2-CZ 4.03Å; F91-F96 AromaticContact CG-CE2 3.62Å; F91-F96 HydrophobicContact CG-CE2 3.62Å; F91-F96 AromaticContact CG-CZ 3.88Å; F91-F96 HydrophobicContact CG-CZ 3.88Å; F91-F96 HydrophobicContact CZ-CZ 4.1Å; F96-V121 HydrophobicContact CD2-CB 3.91Å; F96-V121 HydrophobicContact CD2-CG2 3.93Å; F96-V121 HydrophobicContact CE2-CB 4.25Å; F96-V121 HydrophobicContact CE2-CG2 4.42Å; F96-V121 PolarHBondContact N-O 3.25Å; F96-L122 HydrophobicContact CB-CD2 4.46Å; F96-L122 CarbonylContact O-C 3.57Å; F96-L122 WeakPolarHBondContact O-CA 3.43Å; F96-L122 WeakPolarHBondContact O-CD2 3.23Å; F96-M123 PolarHBondContact O-N 3.03Å
97D98.6Very high97.3Very high51 Ų5139.6 Ų39.627%0.27321%0.209SC..EExtended strand (participates in β ladder)trans-75.6-34.6172.2-61.6-87.4000111.9M23 R24 M123 G126 R127M23-D97 WeakPolarHBondContact CA-OD2 3.39Å; M23-D97 HydrophobicContact CB-CB 4.24Å; M23-D97 HydrophobicContact CE-CB 3.6Å; M23-D97 HydrophobicContact CG-CB 4.25Å; R24-D97 PolarHBondContact N-OD2 3.42Å; R24-D97 PolarHBondContact O-N 3.18Å; D97-M123 HydrophobicContact CB-CE 4.16Å; D97-M123 WeakPolarHBondContact OD1-CE 3.42Å; D97-G126 CarbonylContact O-C 3.57Å; D97-G126 WeakPolarHBondContact O-CA 3.04Å; D97-R127 PolarHBondContact O-N 2.81Å
98A98.8Very high97.1Very high0 Ų039.4 Ų39.40%021%0.21CC..EExtended strand (participates in β ladder)trans-143.1151.4178.600000112.5L17 M23 R24 I25 L26 R127L17-A98 HydrophobicContact CD1-CB 3.85Å; M23-A98 HydrophobicContact CE-CB 3.99Å; R24-A98 PolarHBondContact O-N 3.37Å; I25-A98 WeakPolarHBondContact CA-O 3.42Å; I25-A98 HydrophobicContact CG1-CB 4.22Å; I25-A98 HydrophobicContact CG2-CB 4.28Å; L26-A98 PolarHBondContact N-O 2.97Å; A98-R127 CarbonylContact C-O 3.53Å; A98-R127 VanDerWaalsContact CA-O 3.26Å; A98-R127 WeakPolarHBondContact CA-O 3.29Å
99Y98.8Very high96.9Very high0 Ų037.4 Ų37.40%021%0.209CC..EExtended strand (participates in β ladder)trans-123.8120.2177.1-174.6-74.7000107.8L26 A28 L89 I101 A118 V121 R127 F128 M129L26-Y99 HydrophobicContact CB-CD2 4.28Å; L26-Y99 HydrophobicContact CD2-CD2 3.68Å; L26-Y99 HydrophobicContact CD2-CE2 3.55Å; L26-Y99 HydrophobicContact CG-CD2 4.14Å; L26-Y99 HydrophobicContact CG-CE2 4.18Å; L26-Y99 CarbonylContact O-C 3.59Å; L26-Y99 WeakPolarHBondContact O-CA 3.16Å; A28-Y99 HydrophobicContact CB-CE1 3.82Å; A28-Y99 HydrophobicContact CB-CE2 3.88Å; A28-Y99 WeakPolarHBondContact CB-OH 3.47Å; L89-Y99 HydrophobicContact CD1-CE2 3.86Å; Y99-I101 HydrophobicContact CD1-CG2 4.39Å; Y99-I101 HydrophobicContact CE1-CB 3.87Å; Y99-I101 HydrophobicContact CE1-CG2 3.87Å; Y99-A118 HydrophobicContact CD1-CB 3.96Å; Y99-A118 HydrophobicContact CD2-CB 3.72Å; Y99-A118 HydrophobicContact CE1-CB 3.92Å; Y99-A118 HydrophobicContact CE2-CB 3.7Å; Y99-A118 HydrophobicContact CG-CB 3.85Å; Y99-V121 HydrophobicContact CD2-CG2 4Å; Y99-V121 HydrophobicContact CE2-CG2 4.34Å; Y99-R127 PolarHBondContact N-O 2.95Å; Y99-F128 AromaticContact CD1-CD2 3.43Å; Y99-F128 HydrophobicContact CD1-CD2 3.43Å; Y99-F128 VanDerWaalsContact CD1-CD2 3.43Å; Y99-F128 AromaticContact CD1-CE2 3.58Å; Y99-F128 HydrophobicContact CD1-CE2 3.58Å; Y99-F128 HydrophobicContact CE1-CD2 4.02Å; Y99-F128 AromaticContact CE1-CE2 3.7Å; Y99-F128 HydrophobicContact CE1-CE2 3.7Å; Y99-F128 HydrophobicContact CG-CD2 4.06Å; Y99-M129 PolarHBondContact O-N 3.4Å
100T98.9Very high96.8Very high0 Ų041.3 Ų41.30%023%0.227CC..EExtended strand (participates in β ladder)trans-112.2138.7173.256.70000110.3F13 L17 I25 L26 D27 A28 M129F13-T100 HydrophobicContact CE1-CG2 3.88Å; F13-T100 HydrophobicContact CZ-CG2 3.99Å; L17-T100 HydrophobicContact CD1-CG2 4.13Å; L17-T100 HydrophobicContact CD2-CG2 3.8Å; I25-T100 HydrophobicContact CG2-CG2 4.35Å; L26-T100 PolarHBondContact O-N 3.44Å; L26-T100 PolarHBondContact O-OG1 3.03Å; D27-T100 CarbonylContact C-O 3.54Å; D27-T100 WeakPolarHBondContact CA-O 3.36Å; D27-T100 WeakPolarHBondContact CA-OG1 3.44Å; D27-T100 PolarHBondContact OD1-OG1 3.37Å; A28-T100 PolarHBondContact N-O 2.98Å; T100-M129 WeakPolarHBondContact CA-O 3.33Å
101I98.5Very high96.8Very high0 Ų038.9 Ų38.90%021%0.209CC..EExtended strand (participates in β ladder)trans-140.2119.8167.4-177.2155.3000108.5A28 A29 Y99 I105 V114 F128 M129 C130 L131A28-I101 HydrophobicContact CB-CD1 4.45Å; A28-I101 WeakPolarHBondContact O-CG1 3.49Å; A29-I101 HydrophobicContact CB-CD1 4.08Å; A29-I101 HydrophobicContact CB-CG1 4.27Å; Y99-I101 HydrophobicContact CD1-CG2 4.39Å; Y99-I101 HydrophobicContact CE1-CB 3.87Å; Y99-I101 HydrophobicContact CE1-CG2 3.87Å; I101-I105 HydrophobicContact CD1-CB 3.72Å; I101-I105 HydrophobicContact CD1-CG1 4.27Å; I101-I105 HydrophobicContact CG1-CB 4.09Å; I101-V114 HydrophobicContact CD1-CG1 4.17Å; I101-F128 HydrophobicContact CG2-CE2 3.89Å; I101-F128 HydrophobicContact CG2-CZ 4Å; I101-M129 PolarHBondContact N-O 3.39Å; I101-C130 HydrophobicContact CG2-CB 3.8Å; I101-C130 CarbonylContact O-C 3.57Å; I101-C130 VanDerWaalsContact O-CA 3.25Å; I101-C130 WeakPolarHBondContact O-CA 3.44Å; I101-L131 PolarHBondContact O-N 2.76Å
102A96.7Very high96.7Very high16 Ų1643.1 Ų43.113%0.13223%0.229CC..EExtended strand (participates in β ladder)trans-124.2115.9-173.300000110.8F13 I35 G104 L131F13-A102 HydrophobicContact CE1-CB 4.42Å; I35-A102 HydrophobicContact CD1-CB 4.1Å; I35-A102 HydrophobicContact CG1-CB 3.58Å; A102-G104 PolarHBondContact O-N 3.42Å; A102-G104 VanDerWaalsContact O-N 3.14Å; A102-L131 CarbonylContact C-O 3.25Å; A102-L131 WeakPolarHBondContact CA-O 3.38Å; A102-L131 HydrophobicContact CB-CB 4.03Å; A102-L131 HydrophobicContact CB-CD2 4.3Å
103F92.8Very high96.7Very high28 Ų2841.9 Ų41.912%0.12322%0.218CC..SBendtrans5723.2-178.6-55.3-64.6000113.9W9 K10 R106 N107 L131 E132 F133 V205W9-F103 AromaticContact CE3-CZ 3.87Å; W9-F103 HydrophobicContact CE3-CZ 3.87Å; W9-F103 HydrophobicContact CZ3-CZ 4.45Å; K10-F103 HydrophobicContact CG-CE2 4.48Å; F103-R106 VanDerWaalsContact CB-NH1 3.28Å; F103-R106 VanDerWaalsContact O-CZ 3.29Å; F103-R106 PolarHBondContact O-NH1 2.95Å; F103-R106 PolarHBondContact O-NH2 3.44Å; F103-N107 PolarHBondContact O-ND2 3.16Å; F103-L131 HydrophobicContact CD2-CD2 4.25Å; F103-L131 HydrophobicContact CE1-CG 4.25Å; F103-L131 HydrophobicContact CE2-CD2 3.44Å; F103-L131 VanDerWaalsContact CE2-CD2 3.44Å; F103-L131 HydrophobicContact CE2-CG 3.88Å; F103-L131 HydrophobicContact CZ-CD1 4.34Å; F103-L131 HydrophobicContact CZ-CD2 3.69Å; F103-L131 HydrophobicContact CZ-CG 3.69Å; F103-L131 PolarHBondContact N-O 2.89Å; F103-E132 VanDerWaalsContact C-OE2 3.26Å; F103-E132 WeakPolarHBondContact CA-OE2 3.5Å; F103-F133 AromaticContact CD1-CD2 3.66Å; F103-F133 HydrophobicContact CD1-CD2 3.66Å; F103-F133 AromaticContact CD1-CE2 3.59Å; F103-F133 HydrophobicContact CD1-CE2 3.59Å; F103-F133 HydrophobicContact CD1-CG 4.3Å; F103-F133 HydrophobicContact CD1-CZ 4.17Å; F103-F133 HydrophobicContact CE1-CD1 4.28Å; F103-F133 AromaticContact CE1-CD2 3.92Å; F103-F133 HydrophobicContact CE1-CD2 3.92Å; F103-F133 HydrophobicContact CE1-CE1 4.15Å; F103-F133 AromaticContact CE1-CE2 3.79Å; F103-F133 HydrophobicContact CE1-CE2 3.79Å; F103-F133 HydrophobicContact CE1-CG 4.16Å; F103-F133 AromaticContact CE1-CZ 3.91Å; F103-F133 HydrophobicContact CE1-CZ 3.91Å; F103-F133 HydrophobicContact CG-CE2 4.44Å; F103-V205 HydrophobicContact CE1-CG1 4.41Å; F103-V205 HydrophobicContact CE1-CG2 4.48Å; F103-V205 HydrophobicContact CZ-CG1 4.35Å
104G94Very high96.7Very high5 Ų537.3 Ų37.35%0.05219%0.194CC..  trans-110-40.6-174.400000113.5A102 R106 N107 E132A102-G104 PolarHBondContact O-N 3.42Å; A102-G104 VanDerWaalsContact O-N 3.14Å; G104-R106 VanDerWaalsContact C-N 3.27Å; G104-R106 PolarHBondContact O-N 2.94Å; G104-N107 PolarHBondContact O-N 3.42Å; G104-N107 PolarHBondContact O-ND2 3.03Å; G104-E132 PolarHBondContact N-OE2 2.89Å
105I96.7Very high96.8Very high0 Ų035 Ų350%018%0.181CC..G310 helixtrans-65.6-29.1-167-162.7167000113.2I101 N107 C108 I111 V114 L115 E132 F177 F183I101-I105 HydrophobicContact CD1-CB 3.72Å; I101-I105 HydrophobicContact CD1-CG1 4.27Å; I101-I105 HydrophobicContact CG1-CB 4.09Å; I105-N107 PolarHBondContact O-N 3.28Å; I105-C108 WeakPolarHBondContact O-CB 3.43Å; I105-C108 PolarHBondContact O-N 2.83Å; I105-C108 VanDerWaalsContact O-N 3.1Å; I105-I111 HydrophobicContact CD1-CG2 4.09Å; I105-I111 HydrophobicContact CG1-CG2 4.36Å; I105-V114 HydrophobicContact CD1-CB 4.26Å; I105-V114 HydrophobicContact CD1-CG1 3.92Å; I105-V114 HydrophobicContact CG1-CB 4.37Å; I105-V114 HydrophobicContact CG1-CG1 4.1Å; I105-L115 HydrophobicContact CD1-CD2 4.28Å; I105-E132 HydrophobicContact CG2-CG 4.23Å; I105-F177 HydrophobicContact CG2-CE2 3.75Å; I105-F177 HydrophobicContact CG2-CZ 3.71Å; I105-F183 HydrophobicContact CD1-CE2 4.12Å; I105-F183 HydrophobicContact CD1-CZ 3.87Å; I105-F183 HydrophobicContact CG2-CZ 4.34Å
106R93.3Very high96.8Very high38 Ų3837.3 Ų37.314%0.14319%0.192CC..G310 helixtrans-64.2-18.8176.271.3177.3-173.4-72.5-21114F103 G104 E132 S173 F177F103-R106 VanDerWaalsContact CB-NH1 3.28Å; F103-R106 VanDerWaalsContact O-CZ 3.29Å; F103-R106 PolarHBondContact O-NH1 2.95Å; F103-R106 PolarHBondContact O-NH2 3.44Å; G104-R106 VanDerWaalsContact C-N 3.27Å; G104-R106 PolarHBondContact O-N 2.94Å; R106-E132 IonicContact CZ-OE1 3.7Å; R106-E132 IonicContact NE-OE1 3.98Å; R106-E132 IonicContact NH1-OE1 2.68Å; R106-E132 PolarHBondContact NH1-OE1 3.48Å; R106-E132 IonicContact NH1-OE2 3.37Å; R106-E132 PolarHBondContact NH1-OE2 2.99Å; R106-S173 WeakPolarHBondContact CD-OG 3.16Å; R106-S173 PolarHBondContact NE-OG 2.85Å; R106-F177 HydrophobicContact CB-CB 4.28Å; R106-F177 HydrophobicContact CB-CD2 3.61Å; R106-F177 HydrophobicContact CB-CE2 4.18Å; R106-F177 HydrophobicContact CB-CG 4.04Å
107N92.3Very high96.8Very high70 Ų7038.6 Ų38.637%0.37420%0.199SC..G310 helixtrans-92.8-3.3178.9-43.9-63000112F103 G104 I105F103-N107 PolarHBondContact O-ND2 3.16Å; G104-N107 PolarHBondContact O-N 3.42Å; G104-N107 PolarHBondContact O-ND2 3.03Å; I105-N107 PolarHBondContact O-N 3.28Å
108C94.7Very high96.8Very high24 Ų2436.2 Ų36.216%0.16219%0.186CC..  trans-81.3143.2175-60.20000109.9I105 V114I105-C108 WeakPolarHBondContact O-CB 3.43Å; I105-C108 PolarHBondContact O-N 2.83Å; I105-C108 VanDerWaalsContact O-N 3.1Å; C108-V114 HydrophobicContact CB-CG2 3.63Å
109T93.4Very high96.8Very high118 Ų11837.8 Ų37.872%0.72419%0.194SC*.SBendtrans-75.3-41.3-177.7-55.20000110.4E87E87-T109 WeakPolarHBondContact OE1-CA 3.41Å; E87-T109 PolarHBondContact OE1-N 3.19Å
110H96.5Very high96.8Very high88 Ų8840.8 Ų40.841%0.40721%0.205SC..  trans-11887.6-179.4-48.692.8000110.5E87 E112 K113 V114E87-H110 PolarHBondContact OE1-N 3.37Å; E87-H110 IonicContact OE1-ND1 3.09Å; E87-H110 WeakPolarHBondContact OE2-CB 3.48Å; E87-H110 IonicContact OE2-CE1 2.75Å; E87-H110 IonicContact OE2-CG 2.89Å; E87-H110 IonicContact OE2-ND1 3.33Å; E87-H110 PolarHBondContact OE2-ND1 3.23Å; H110-E112 PolarHBondContact O-N 2.85Å; H110-K113 HydrophobicContact CB-CB 3.98Å; H110-K113 HydrophobicContact CB-CD 3.82Å; H110-K113 HydrophobicContact CB-CG 3.73Å; H110-K113 WeakPolarHBondContact O-CB 3.33Å; H110-K113 PolarHBondContact O-N 3.47Å; H110-V114 PolarHBondContact O-N 3.28Å
111I97.4Very high96.8Very high33 Ų3340.8 Ų40.817%0.16921%0.205CC..Hα-helixtrans-53-39.7178.4-65.6170.2000111.4I105 K113 V114 L115 F177 P178 F183I105-I111 HydrophobicContact CD1-CG2 4.09Å; I105-I111 HydrophobicContact CG1-CG2 4.36Å; I111-K113 VanDerWaalsContact C-N 3.33Å; I111-K113 PolarHBondContact O-N 3.15Å; I111-V114 WeakPolarHBondContact O-CB 3.27Å; I111-V114 PolarHBondContact O-N 3.25Å; I111-L115 HydrophobicContact CG2-CD1 4.08Å; I111-L115 HydrophobicContact CG2-CG 4.34Å; I111-L115 WeakPolarHBondContact O-CG 3.16Å; I111-L115 PolarHBondContact O-N 2.9Å; I111-F177 HydrophobicContact CD1-CD2 3.9Å; I111-F177 HydrophobicContact CD1-CE2 3.69Å; I111-P178 HydrophobicContact CD1-CG 4.43Å; I111-F183 HydrophobicContact CG2-CD2 4.4Å; I111-F183 HydrophobicContact CG2-CE2 3.81Å
112E97.8Very high96.8Very high125 Ų12540.8 Ų40.858%0.58421%0.205SC*.Hα-helixtrans-61.9-38.5178.2-65.8180-16600112.7H110 L115 N116H110-E112 PolarHBondContact O-N 2.85Å; E112-L115 PolarHBondContact O-N 3.28Å; E112-N116 WeakPolarHBondContact O-CB 3.25Å; E112-N116 PolarHBondContact O-N 3.23Å; E112-N116 PolarHBondContact O-ND2 2.99Å
113K98.5Very high96.9Very high105 Ų10542.9 Ų42.946%0.45721%0.213SC..Hα-helixtrans-63.8-42.8175.1-69.2-172.4-178.71780111.1E87 H110 I111 L115 N116 E117E87-K113 HydrophobicContact CB-CB 4.06Å; E87-K113 HydrophobicContact CB-CD 4.39Å; E87-K113 HydrophobicContact CG-CB 4.22Å; H110-K113 HydrophobicContact CB-CB 3.98Å; H110-K113 HydrophobicContact CB-CD 3.82Å; H110-K113 HydrophobicContact CB-CG 3.73Å; H110-K113 WeakPolarHBondContact O-CB 3.33Å; H110-K113 PolarHBondContact O-N 3.47Å; I111-K113 VanDerWaalsContact C-N 3.33Å; I111-K113 PolarHBondContact O-N 3.15Å; K113-L115 VanDerWaalsContact C-N 3.32Å; K113-L115 PolarHBondContact O-N 3.41Å; K113-N116 PolarHBondContact O-N 3.19Å; K113-E117 WeakPolarHBondContact O-CB 3.48Å; K113-E117 WeakPolarHBondContact O-CG 3.4Å; K113-E117 PolarHBondContact O-N 3.23Å
114V98.8Very high97.1Very high0 Ų044.6 Ų44.60%023%0.227CC..Hα-helixtrans-60.3-43175.6-176.90000111.4A86 E87 I101 I105 C108 H110 I111 E117 A118A86-V114 HydrophobicContact CB-CG1 4.1Å; A86-V114 HydrophobicContact CB-CG2 4.2Å; E87-V114 HydrophobicContact CG-CG2 3.69Å; I101-V114 HydrophobicContact CD1-CG1 4.17Å; I105-V114 HydrophobicContact CD1-CB 4.26Å; I105-V114 HydrophobicContact CD1-CG1 3.92Å; I105-V114 HydrophobicContact CG1-CB 4.37Å; I105-V114 HydrophobicContact CG1-CG1 4.1Å; C108-V114 HydrophobicContact CB-CG2 3.63Å; H110-V114 PolarHBondContact O-N 3.28Å; I111-V114 WeakPolarHBondContact O-CB 3.27Å; I111-V114 PolarHBondContact O-N 3.25Å; V114-E117 PolarHBondContact O-N 3.4Å; V114-A118 VanDerWaalsContact O-CB 3.32Å; V114-A118 WeakPolarHBondContact O-CB 3.43Å; V114-A118 PolarHBondContact O-N 2.97Å
115L98.9Very high97.3Very high1 Ų146 Ų461%0.00524%0.241CC..Hα-helixtrans-66.1-39.9177.7-68.1174.5000112.1I105 I111 E112 K113 A118 L119 F128 F183 L186 I187I105-L115 HydrophobicContact CD1-CD2 4.28Å; I111-L115 HydrophobicContact CG2-CD1 4.08Å; I111-L115 HydrophobicContact CG2-CG 4.34Å; I111-L115 WeakPolarHBondContact O-CG 3.16Å; I111-L115 PolarHBondContact O-N 2.9Å; E112-L115 PolarHBondContact O-N 3.28Å; K113-L115 VanDerWaalsContact C-N 3.32Å; K113-L115 PolarHBondContact O-N 3.41Å; L115-A118 PolarHBondContact O-N 3.39Å; L115-L119 PolarHBondContact O-N 2.83Å; L115-F128 HydrophobicContact CD2-CE1 3.98Å; L115-F128 HydrophobicContact CD2-CE2 4.23Å; L115-F128 HydrophobicContact CD2-CZ 3.66Å; L115-F183 HydrophobicContact CD1-CE2 4.38Å; L115-F183 HydrophobicContact CD2-CE2 4.46Å; L115-F183 HydrophobicContact CD2-CZ 4.46Å; L115-L186 HydrophobicContact CD1-CB 4.05Å; L115-I187 HydrophobicContact CD1-CG1 4.27Å; L115-I187 HydrophobicContact CD2-CG1 3.82Å
116N98.7Very high97.4Very high80 Ų8046.2 Ų46.243%0.42824%0.244SC..Hα-helixtrans-66.1-43.5176-69.9-20000111.6E112 K113 L119 R120E112-N116 WeakPolarHBondContact O-CB 3.25Å; E112-N116 PolarHBondContact O-N 3.23Å; E112-N116 PolarHBondContact O-ND2 2.99Å; K113-N116 PolarHBondContact O-N 3.19Å; N116-L119 PolarHBondContact O-N 3.41Å; N116-R120 WeakPolarHBondContact O-CB 3.14Å; N116-R120 PolarHBondContact O-N 3.32Å
117E98.8Very high97.6Very high29 Ų2946.7 Ų46.714%0.13625%0.246CC..Hα-helixtrans-63.2-43.2175.2-79.5-61.595.400111.6E87 L89 K113 V114 L119 R120 V121E87-E117 WeakPolarHBondContact O-CG 3.23Å; L89-E117 WeakPolarHBondContact CA-OE2 3.38Å; L89-E117 WeakPolarHBondContact CB-OE2 3.5Å; L89-E117 HydrophobicContact CD1-CB 3.98Å; L89-E117 HydrophobicContact CG-CB 4.33Å; L89-E117 PolarHBondContact N-OE2 3.25Å; K113-E117 WeakPolarHBondContact O-CB 3.48Å; K113-E117 WeakPolarHBondContact O-CG 3.4Å; K113-E117 PolarHBondContact O-N 3.23Å; V114-E117 PolarHBondContact O-N 3.4Å; E117-L119 VanDerWaalsContact C-N 3.35Å; E117-L119 PolarHBondContact O-N 3.24Å; E117-R120 PolarHBondContact O-N 2.83Å; E117-R120 IonicContact OE1-CZ 2.66Å; E117-R120 IonicContact OE1-NE 2.57Å; E117-R120 PolarHBondContact OE1-NE 2.88Å; E117-R120 IonicContact OE1-NH2 3.51Å; E117-R120 IonicContact OE2-CZ 2.75Å; E117-R120 IonicContact OE2-NE 3.98Å; E117-R120 IonicContact OE2-NH2 3.46Å; E117-R120 PolarHBondContact OE2-NH2 3.08Å; E117-V121 WeakPolarHBondContact O-CG1 3.27Å; E117-V121 WeakPolarHBondContact O-CG2 3.49Å; E117-V121 PolarHBondContact O-N 2.86Å
118A98.9Very high97.9Very high0 Ų043.4 Ų43.40%023%0.228CC..Hα-helixtrans-58.6-45.8173.300000111.7Y99 V114 L115 R120 L122 F128 F192Y99-A118 HydrophobicContact CD1-CB 3.96Å; Y99-A118 HydrophobicContact CD2-CB 3.72Å; Y99-A118 HydrophobicContact CE1-CB 3.92Å; Y99-A118 HydrophobicContact CE2-CB 3.7Å; Y99-A118 HydrophobicContact CG-CB 3.85Å; V114-A118 VanDerWaalsContact O-CB 3.32Å; V114-A118 WeakPolarHBondContact O-CB 3.43Å; V114-A118 PolarHBondContact O-N 2.97Å; L115-A118 PolarHBondContact O-N 3.39Å; A118-R120 VanDerWaalsContact C-N 3.34Å; A118-R120 PolarHBondContact O-N 3.28Å; A118-L122 WeakPolarHBondContact O-CB 3.48Å; A118-L122 WeakPolarHBondContact O-CD1 3.4Å; A118-L122 WeakPolarHBondContact O-CG 3.33Å; A118-L122 PolarHBondContact O-N 3.19Å; A118-F128 HydrophobicContact CB-CD2 3.71Å; A118-F128 HydrophobicContact CB-CE2 3.98Å; A118-F192 HydrophobicContact CB-CZ 4.17Å
119L98.7Very high98.1Very high33 Ų3342.2 Ų42.217%0.17322%0.22CC..Hα-helixtrans-63.5-41176.7-170.274.3000111.3L115 N116 E117 S190 F192 K212L115-L119 PolarHBondContact O-N 2.83Å; N116-L119 PolarHBondContact O-N 3.41Å; E117-L119 VanDerWaalsContact C-N 3.35Å; E117-L119 PolarHBondContact O-N 3.24Å; L119-S190 WeakPolarHBondContact CD2-O 3.39Å; L119-F192 HydrophobicContact CB-CE1 4.44Å; L119-F192 HydrophobicContact CB-CE2 3.95Å; L119-F192 HydrophobicContact CB-CZ 3.79Å; L119-F192 HydrophobicContact CD1-CD1 3.72Å; L119-F192 HydrophobicContact CD1-CD2 4.2Å; L119-F192 HydrophobicContact CD1-CE1 3.57Å; L119-F192 HydrophobicContact CD1-CE2 4.08Å; L119-F192 HydrophobicContact CD1-CG 4.03Å; L119-F192 HydrophobicContact CD1-CZ 3.76Å; L119-F192 HydrophobicContact CG-CZ 4.42Å; L119-K212 HydrophobicContact CD1-CB 3.91Å; L119-K212 HydrophobicContact CD1-CD 4.3Å; L119-K212 HydrophobicContact CD1-CG 3.72Å; L119-K212 HydrophobicContact CG-CG 4.42Å; L119-K212 VanDerWaalsContact O-CD 3.26Å; L119-K212 WeakPolarHBondContact O-CD 3.34Å; L119-K212 WeakPolarHBondContact O-CE 3.44Å; L119-K212 PolarHBondContact O-NZ 2.86Å
120R98.5Very high98.4Very high63 Ų6336.6 Ų36.624%0.23819%0.186CC..Hα-helixtrans-62.5-52.7-178.7-173.2-178.766.275.3-0.9111.5L89 F91 D93 N94 N116 E117 A118 L122 K212L89-R120 PolarHBondContact O-NH2 3.35Å; F91-R120 PolarHBondContact O-NH1 2.75Å; F91-R120 PolarHBondContact O-NH2 3.42Å; D93-R120 WeakPolarHBondContact CA-O 3.3Å; D93-R120 HydrophobicContact CB-CG 4.37Å; D93-R120 VanDerWaalsContact OD1-CD 3.28Å; D93-R120 WeakPolarHBondContact OD1-CD 3.42Å; D93-R120 WeakPolarHBondContact OD1-CG 3.37Å; D93-R120 IonicContact OD1-CZ 3.6Å; D93-R120 IonicContact OD1-NE 3.98Å; D93-R120 IonicContact OD1-NH1 3.03Å; D93-R120 PolarHBondContact OD1-NH1 2.94Å; N94-R120 PolarHBondContact N-O 2.97Å; N116-R120 WeakPolarHBondContact O-CB 3.14Å; N116-R120 PolarHBondContact O-N 3.32Å; E117-R120 PolarHBondContact O-N 2.83Å; E117-R120 IonicContact OE1-CZ 2.66Å; E117-R120 IonicContact OE1-NE 2.57Å; E117-R120 PolarHBondContact OE1-NE 2.88Å; E117-R120 IonicContact OE1-NH2 3.51Å; E117-R120 IonicContact OE2-CZ 2.75Å; E117-R120 IonicContact OE2-NE 3.98Å; E117-R120 IonicContact OE2-NH2 3.46Å; E117-R120 PolarHBondContact OE2-NH2 3.08Å; A118-R120 VanDerWaalsContact C-N 3.34Å; A118-R120 PolarHBondContact O-N 3.28Å; R120-L122 VanDerWaalsContact C-N 3.34Å; R120-L122 PolarHBondContact O-N 2.87Å; R120-K212 PolarHBondContact O-NZ 2.78Å
121V98.8Very high98.3Very high0 Ų032.4 Ų32.40%017%0.166CC..Hα-helixtrans-75.7-19.4-174.7-55.50000113.6L26 L89 F91 T95 F96 Y99 E117L26-V121 HydrophobicContact CD2-CG2 3.92Å; L89-V121 HydrophobicContact CB-CG1 4.21Å; L89-V121 HydrophobicContact CD1-CG1 4.05Å; L89-V121 HydrophobicContact CD1-CG2 4.11Å; F91-V121 HydrophobicContact CB-CG1 4.03Å; T95-V121 PolarHBondContact N-O 2.99Å; F96-V121 HydrophobicContact CD2-CB 3.91Å; F96-V121 HydrophobicContact CD2-CG2 3.93Å; F96-V121 HydrophobicContact CE2-CB 4.25Å; F96-V121 HydrophobicContact CE2-CG2 4.42Å; F96-V121 PolarHBondContact N-O 3.25Å; Y99-V121 HydrophobicContact CD2-CG2 4Å; Y99-V121 HydrophobicContact CE2-CG2 4.34Å; E117-V121 WeakPolarHBondContact O-CG1 3.27Å; E117-V121 WeakPolarHBondContact O-CG2 3.49Å; E117-V121 PolarHBondContact O-N 2.86Å
122L98.8Very high98.2Very high0 Ų031 Ų310%016%0.159CC..EExtended strand (participates in β ladder)trans-71.3142173.1-80.5170.8000111.9N94 F96 A118 R120 F128 F192 K212N94-L122 WeakPolarHBondContact CA-O 3.43Å; N94-L122 PolarHBondContact OD1-O 3.43Å; N94-L122 VanDerWaalsContact OD1-O 3.12Å; F96-L122 HydrophobicContact CB-CD2 4.46Å; F96-L122 CarbonylContact O-C 3.57Å; F96-L122 WeakPolarHBondContact O-CA 3.43Å; F96-L122 WeakPolarHBondContact O-CD2 3.23Å; A118-L122 WeakPolarHBondContact O-CB 3.48Å; A118-L122 WeakPolarHBondContact O-CD1 3.4Å; A118-L122 WeakPolarHBondContact O-CG 3.33Å; A118-L122 PolarHBondContact O-N 3.19Å; R120-L122 VanDerWaalsContact C-N 3.34Å; R120-L122 PolarHBondContact O-N 2.87Å; L122-F128 HydrophobicContact CD1-CB 3.99Å; L122-F192 HydrophobicContact CD1-CE1 3.68Å; L122-F192 HydrophobicContact CD1-CZ 4.06Å; L122-K212 HydrophobicContact CB-CB 4.38Å; L122-K212 HydrophobicContact CB-CD 4.06Å; L122-K212 WeakPolarHBondContact O-CD 3.4Å; L122-K212 WeakPolarHBondContact O-CE 3.42Å; L122-K212 PolarHBondContact O-NZ 2.84Å
123M98Very high97.7Very high60 Ų6025.2 Ų25.230%0.29613%0.132SC..EExtended strand (participates in β ladder)trans-68.2156.6167.6-68.4-170.3-58.900111.3N94 F96 D97 G125 G126 K212N94-M123 VanDerWaalsContact C-CG 3.46Å; N94-M123 HydrophobicContact CB-CG 4.15Å; N94-M123 WeakPolarHBondContact O-CG 3.43Å; F96-M123 PolarHBondContact O-N 3.03Å; D97-M123 HydrophobicContact CB-CE 4.16Å; D97-M123 WeakPolarHBondContact OD1-CE 3.42Å; M123-G125 PolarHBondContact O-N 2.57Å; M123-G126 VanDerWaalsContact O-CA 3.3Å; M123-G126 WeakPolarHBondContact O-CA 3.32Å; M123-G126 PolarHBondContact O-N 2.94Å; M123-K212 WeakPolarHBondContact O-CD 3.31Å
124P98.2Very high96.9Very high65 Ų6520.6 Ų20.642%0.42211%0.113SC..EExtended strand (participates in β ladder)trans-53.8131.6171.1-24.135.3000111N94 G126 P213N94-P124 WeakPolarHBondContact OD1-CD 3.37Å; P124-G126 PolarHBondContact O-N 3.49Å; P124-P213 WeakPolarHBondContact CA-O 3.19Å; P124-P213 WeakPolarHBondContact CB-O 2.92Å
125G97.5Very high95.7Very high34 Ų3425.4 Ų25.435%0.35113%0.131SC..EExtended strand (participates in β ladder)trans78.4-4.5-170.800000115.2M123 K212M123-G125 PolarHBondContact O-N 2.57Å; G125-K212 VanDerWaalsContact CA-O 3.25Å; G125-K212 WeakPolarHBondContact CA-O 3.4Å; G125-K212 PolarHBondContact N-O 2.87Å
126G98Very high94.1Very high5 Ų527.8 Ų27.85%0.05215%0.145CC..EExtended strand (participates in β ladder)trans-65.9150.5176.900000112.5D97 M123 P124 Y211 K212D97-G126 CarbonylContact O-C 3.57Å; D97-G126 WeakPolarHBondContact O-CA 3.04Å; M123-G126 VanDerWaalsContact O-CA 3.3Å; M123-G126 WeakPolarHBondContact O-CA 3.32Å; M123-G126 PolarHBondContact O-N 2.94Å; P124-G126 PolarHBondContact O-N 3.49Å; G126-Y211 WeakPolarHBondContact O-CA 3.32Å; G126-K212 PolarHBondContact O-N 3.42Å
127R98.5Very high91.9Very high48 Ų4830.1 Ų30.118%0.18115%0.148CC..EExtended strand (participates in β ladder)trans-106.1124.2-170.4-166.9-179.8-176-175.3-1.9112.1E16 D97 A98 Y99 M129 S209 Y211E16-R127 PolarHBondContact O-NH1 3.1Å; D97-R127 PolarHBondContact O-N 2.81Å; A98-R127 CarbonylContact C-O 3.53Å; A98-R127 VanDerWaalsContact CA-O 3.26Å; A98-R127 WeakPolarHBondContact CA-O 3.29Å; Y99-R127 PolarHBondContact N-O 2.95Å; R127-M129 HydrophobicContact CG-CG 3.99Å; R127-M129 VanDerWaalsContact CZ-SD 3.53Å; R127-S209 PolarHBondContact NE-OG 3.34Å; R127-S209 PolarHBondContact NH2-OG 3.14Å; R127-S209 VanDerWaalsContact NH2-OG 3.07Å; R127-Y211 HydrophobicContact CB-CD1 3.97Å; R127-Y211 HydrophobicContact CB-CE1 3.78Å; R127-Y211 HydrophobicContact CG-CD1 4.02Å; R127-Y211 HydrophobicContact CG-CE1 3.61Å; R127-Y211 HydrophobicContact CG-CE2 4.49Å; R127-Y211 PolarHBondContact NE-OH 3.22Å
128F98.8Very high89.6Confident0 Ų030.8 Ų30.80%016%0.156CC..EExtended strand (participates in β ladder)trans-88133.3164.4172.9-99.2000109.9Y99 I101 L115 A118 L122 C130 I187 F192 S209 G210Y99-F128 AromaticContact CD1-CD2 3.43Å; Y99-F128 HydrophobicContact CD1-CD2 3.43Å; Y99-F128 VanDerWaalsContact CD1-CD2 3.43Å; Y99-F128 AromaticContact CD1-CE2 3.58Å; Y99-F128 HydrophobicContact CD1-CE2 3.58Å; Y99-F128 HydrophobicContact CE1-CD2 4.02Å; Y99-F128 AromaticContact CE1-CE2 3.7Å; Y99-F128 HydrophobicContact CE1-CE2 3.7Å; Y99-F128 HydrophobicContact CG-CD2 4.06Å; I101-F128 HydrophobicContact CG2-CE2 3.89Å; I101-F128 HydrophobicContact CG2-CZ 4Å; L115-F128 HydrophobicContact CD2-CE1 3.98Å; L115-F128 HydrophobicContact CD2-CE2 4.23Å; L115-F128 HydrophobicContact CD2-CZ 3.66Å; A118-F128 HydrophobicContact CB-CD2 3.71Å; A118-F128 HydrophobicContact CB-CE2 3.98Å; L122-F128 HydrophobicContact CD1-CB 3.99Å; F128-C130 HydrophobicContact CE1-CB 3.75Å; F128-C130 HydrophobicContact CZ-CB 3.68Å; F128-I187 HydrophobicContact CD1-CG2 4.37Å; F128-I187 HydrophobicContact CE1-CD1 3.95Å; F128-I187 HydrophobicContact CE1-CG1 4.14Å; F128-F192 HydrophobicContact CB-CD1 4.01Å; F128-F192 HydrophobicContact CB-CE1 3.38Å; F128-F192 HydrophobicContact CB-CE2 4.28Å; F128-F192 HydrophobicContact CB-CZ 3.55Å; F128-F192 HydrophobicContact CD2-CZ 4.29Å; F128-F192 HydrophobicContact CG-CE1 4.26Å; F128-F192 HydrophobicContact CG-CE2 4.32Å; F128-F192 AromaticContact CG-CZ 3.96Å; F128-F192 HydrophobicContact CG-CZ 3.96Å; F128-S209 VanDerWaalsContact O-CA 3.3Å; F128-S209 WeakPolarHBondContact O-CA 3.43Å; F128-G210 PolarHBondContact N-O 3.16Å; F128-G210 PolarHBondContact O-N 3.36Å
129M98.7Very high87.1Confident0 Ų040 Ų400%020%0.199CC..EExtended strand (participates in β ladder)trans-136131.4172.7-67.9-170.366.400111.2F13 E16 L17 Y99 T100 I101 R127 I207 H208F13-M129 HydrophobicContact CD2-CE 4.08Å; F13-M129 HydrophobicContact CE2-CB 3.68Å; F13-M129 HydrophobicContact CE2-CE 4.03Å; F13-M129 HydrophobicContact CZ-CB 3.8Å; E16-M129 HydrophobicContact CB-CE 3.8Å; L17-M129 VanDerWaalsContact CA-SD 3.54Å; L17-M129 HydrophobicContact CB-SD 3.86Å; L17-M129 HydrophobicContact CD1-SD 3.7Å; L17-M129 HydrophobicContact CG-SD 4.41Å; Y99-M129 PolarHBondContact O-N 3.4Å; T100-M129 WeakPolarHBondContact CA-O 3.33Å; I101-M129 PolarHBondContact N-O 3.39Å; R127-M129 HydrophobicContact CG-CG 3.99Å; R127-M129 VanDerWaalsContact CZ-SD 3.53Å; M129-I207 HydrophobicContact CE-CG2 3.77Å; M129-H208 CarbonylContact C-O 3.54Å; M129-H208 VanDerWaalsContact CA-O 3.31Å; M129-H208 WeakPolarHBondContact CA-O 3.46Å
130C98.6Very high84.8Confident0 Ų046.4 Ų46.40%023%0.232CC..EExtended strand (participates in β ladder)trans-126.4122.9178.8175.80000110.5I101 F128 F183 I207 H208I101-C130 HydrophobicContact CG2-CB 3.8Å; I101-C130 CarbonylContact O-C 3.57Å; I101-C130 VanDerWaalsContact O-CA 3.25Å; I101-C130 WeakPolarHBondContact O-CA 3.44Å; F128-C130 HydrophobicContact CE1-CB 3.75Å; F128-C130 HydrophobicContact CZ-CB 3.68Å; C130-F183 HydrophobicContact CB-CE1 4.17Å; C130-I207 CarbonylContact O-C 3.58Å; C130-I207 WeakPolarHBondContact O-CA 3.5Å; C130-H208 HydrophobicContact CB-CB 4.23Å; C130-H208 PolarHBondContact N-O 3.35Å; C130-H208 PolarHBondContact O-N 3.24Å
131L96.3Very high82.5Confident0 Ų048.2 Ų48.20%025%0.246CC..EExtended strand (participates in β ladder)trans-100.9115.9170.4175.368.5000108W9 K10 F13 I101 A102 F103 V205 I207W9-L131 HydrophobicContact CB-CD1 4.48Å; W9-L131 HydrophobicContact CB-CD2 4.4Å; K10-L131 HydrophobicContact CG-CD2 4.23Å; F13-L131 HydrophobicContact CB-CB 4.48Å; F13-L131 HydrophobicContact CB-CD2 4.01Å; F13-L131 HydrophobicContact CD1-CB 4.34Å; F13-L131 HydrophobicContact CD2-CB 3.62Å; F13-L131 HydrophobicContact CD2-CG 4.5Å; F13-L131 HydrophobicContact CE1-CB 4.46Å; F13-L131 HydrophobicContact CE2-CB 3.74Å; F13-L131 HydrophobicContact CG-CB 3.9Å; F13-L131 HydrophobicContact CG-CD2 4.19Å; F13-L131 HydrophobicContact CZ-CB 4.17Å; I101-L131 PolarHBondContact O-N 2.76Å; A102-L131 CarbonylContact C-O 3.25Å; A102-L131 WeakPolarHBondContact CA-O 3.38Å; A102-L131 HydrophobicContact CB-CB 4.03Å; A102-L131 HydrophobicContact CB-CD2 4.3Å; F103-L131 HydrophobicContact CD2-CD2 4.25Å; F103-L131 HydrophobicContact CE1-CG 4.25Å; F103-L131 HydrophobicContact CE2-CD2 3.44Å; F103-L131 VanDerWaalsContact CE2-CD2 3.44Å; F103-L131 HydrophobicContact CE2-CG 3.88Å; F103-L131 HydrophobicContact CZ-CD1 4.34Å; F103-L131 HydrophobicContact CZ-CD2 3.69Å; F103-L131 HydrophobicContact CZ-CG 3.69Å; F103-L131 PolarHBondContact N-O 2.89Å; L131-V205 HydrophobicContact CD1-CG1 3.42Å; L131-V205 VanDerWaalsContact CD1-CG1 3.42Å; L131-V205 HydrophobicContact CG-CG1 4.34Å; L131-I207 HydrophobicContact CD1-CD1 4.39Å; L131-I207 HydrophobicContact CD1-CG1 3.62Å
132E93.7Very high80.4Confident2 Ų252.8 Ų52.81%0.00928%0.278CS..EExtended strand (participates in β ladder)trans-144.2155.2-177.3-162.647.6-88.100112.1F103 G104 I105 R106 F177 V205 A206F103-E132 VanDerWaalsContact C-OE2 3.26Å; F103-E132 WeakPolarHBondContact CA-OE2 3.5Å; G104-E132 PolarHBondContact N-OE2 2.89Å; I105-E132 HydrophobicContact CG2-CG 4.23Å; R106-E132 IonicContact CZ-OE1 3.7Å; R106-E132 IonicContact NE-OE1 3.98Å; R106-E132 IonicContact NH1-OE1 2.68Å; R106-E132 PolarHBondContact NH1-OE1 3.48Å; R106-E132 IonicContact NH1-OE2 3.37Å; R106-E132 PolarHBondContact NH1-OE2 2.99Å; E132-F177 HydrophobicContact CB-CE1 4.24Å; E132-F177 HydrophobicContact CG-CD1 4.03Å; E132-F177 HydrophobicContact CG-CE1 3.67Å; E132-F177 HydrophobicContact CG-CZ 3.95Å; E132-V205 CarbonylContact O-C 3.55Å; E132-V205 WeakPolarHBondContact O-CA 3.44Å; E132-A206 PolarHBondContact N-O 3.25Å; E132-A206 PolarHBondContact O-N 2.84Å
133F88Confident78.4Confident4 Ų453.9 Ų53.92%0.01828%0.284CS..EExtended strand (participates in β ladder)trans-63.1143.2165.6-69.1-67.1000109.7W9 F103 L156 L159 L170 I174 I204 V205W9-F133 AromaticContact CH2-CE1 4Å; W9-F133 HydrophobicContact CH2-CE1 4Å; W9-F133 AromaticContact CZ3-CE1 3.66Å; W9-F133 HydrophobicContact CZ3-CE1 3.66Å; W9-F133 HydrophobicContact CZ3-CZ 4.12Å; F103-F133 AromaticContact CD1-CD2 3.66Å; F103-F133 HydrophobicContact CD1-CD2 3.66Å; F103-F133 AromaticContact CD1-CE2 3.59Å; F103-F133 HydrophobicContact CD1-CE2 3.59Å; F103-F133 HydrophobicContact CD1-CG 4.3Å; F103-F133 HydrophobicContact CD1-CZ 4.17Å; F103-F133 HydrophobicContact CE1-CD1 4.28Å; F103-F133 AromaticContact CE1-CD2 3.92Å; F103-F133 HydrophobicContact CE1-CD2 3.92Å; F103-F133 HydrophobicContact CE1-CE1 4.15Å; F103-F133 AromaticContact CE1-CE2 3.79Å; F103-F133 HydrophobicContact CE1-CE2 3.79Å; F103-F133 HydrophobicContact CE1-CG 4.16Å; F103-F133 AromaticContact CE1-CZ 3.91Å; F103-F133 HydrophobicContact CE1-CZ 3.91Å; F103-F133 HydrophobicContact CG-CE2 4.44Å; F133-L156 HydrophobicContact CD1-CD2 4.47Å; F133-L156 HydrophobicContact CE1-CD2 3.83Å; F133-L156 HydrophobicContact CE2-CD2 3.91Å; F133-L156 HydrophobicContact CZ-CD2 3.51Å; F133-L159 HydrophobicContact CE2-CD1 4.48Å; F133-L159 HydrophobicContact CZ-CD1 4.1Å; F133-L170 HydrophobicContact CD2-CD1 4.4Å; F133-L170 HydrophobicContact CE2-CD1 4.29Å; F133-I174 HydrophobicContact CB-CD1 3.96Å; F133-I174 HydrophobicContact CB-CG1 3.73Å; F133-I174 HydrophobicContact CB-CG2 4.15Å; F133-I174 HydrophobicContact CD1-CD1 4.41Å; F133-I174 HydrophobicContact CD2-CD1 3.86Å; F133-I174 HydrophobicContact CD2-CG1 4.11Å; F133-I174 HydrophobicContact CE2-CD1 4.49Å; F133-I174 HydrophobicContact CG-CD1 3.83Å; F133-I174 HydrophobicContact CG-CG1 4.08Å; F133-I204 CarbonylContact C-O 3.47Å; F133-I204 VanDerWaalsContact CA-O 3.29Å; F133-I204 WeakPolarHBondContact CA-O 3.38Å; F133-I204 HydrophobicContact CD1-CG2 4.37Å; F133-V205 HydrophobicContact CD1-CG2 3.66Å; F133-V205 HydrophobicContact CE1-CG2 3.85Å
134S81.5Confident76.7Confident8 Ų855 Ų556%0.05630%0.296CS..  trans-137.3168.9179.2-154.50000111.8Q180 G203 I204S134-Q180 WeakPolarHBondContact OG-CG 3.37Å; S134-Q180 PolarHBondContact OG-N 3.43Å; S134-Q180 PolarHBondContact OG-NE2 3.26Å; S134-Q180 VanDerWaalsContact OG-NE2 3.15Å; S134-Q180 PolarHBondContact OG-OE1 3.3Å; S134-G203 CarbonylContact C-O 3.54Å; S134-I204 PolarHBondContact N-O 3.48Å
135R73.8Confident75Confident102 Ų10260.4 Ų60.439%0.38531%0.309SS..  trans-83.1132.9-177.9-57.8-171-163.8177.310.4109.3R137 R175 T176 F177 D179 Q180R135-R137 PolarHBondContact O-N 2.89Å; R135-R137 VanDerWaalsContact O-N 3.14Å; R135-R175 PolarHBondContact NE-O 2.83Å; R135-R175 PolarHBondContact NH2-O 2.82Å; R135-T176 PolarHBondContact NH2-O 2.89Å; R135-F177 PolarHBondContact NE-O 3.29Å; R135-F177 PolarHBondContact NH2-O 3.25Å; R135-D179 HydrophobicContact CB-CB 4.3Å; R135-Q180 PolarHBondContact O-NE2 3.47Å; R135-Q180 PolarHBondContact O-OE1 3.45Å
136V65.1Low73.4Confident51 Ų5163.5 Ų63.531%0.30932%0.318SS..  trans-72.1107.4171.9-178.50000107.5S138 L141 L143 I204V136-S138 VanDerWaalsContact C-N 3.3Å; V136-S138 PolarHBondContact O-N 3.01Å; V136-L141 WeakPolarHBondContact CG1-O 3.3Å; V136-L143 HydrophobicContact CG2-CD1 3.97Å; V136-I204 HydrophobicContact CG2-CG1 3.6Å
137R53.1Low71.9Confident129 Ų12966.9 Ų66.949%0.48733%0.329SS..  trans-78.1-5.7-174-95.4-174.6168.7-160-1.5115.3R135 Q139 D179R135-R137 PolarHBondContact O-N 2.89Å; R135-R137 VanDerWaalsContact O-N 3.14Å; R137-Q139 PolarHBondContact O-N 2.89Å; R137-D179 IonicContact CZ-OD1 3.54Å; R137-D179 IonicContact CZ-OD2 3.79Å; R137-D179 IonicContact NE-OD1 3.51Å; R137-D179 IonicContact NE-OD2 2.72Å; R137-D179 PolarHBondContact NE-OD2 3Å; R137-D179 VanDerWaalsContact NE-OD2 3.09Å; R137-D179 IonicContact NH2-OD1 3.51Å; R137-D179 PolarHBondContact NH2-OD1 3.27Å; R137-D179 IonicContact NH2-OD2 2.69Å; R137-D179 PolarHBondContact NH2-OD2 3.17Å
138S49.5Very low70.4Confident42 Ų4268.4 Ų68.429%0.29434%0.335SS..  trans-91.5108.1-175.9177.60000110.9V136 L140 L141 S142V136-S138 VanDerWaalsContact C-N 3.3Å; V136-S138 PolarHBondContact O-N 3.01Å; S138-L140 PolarHBondContact O-N 3.46Å; S138-L140 PolarHBondContact OG-N 2.94Å; S138-L141 CarbonylContact O-C 3.54Å; S138-L141 PolarHBondContact O-N 2.92Å; S138-L141 VanDerWaalsContact O-N 3.13Å; S138-L141 WeakPolarHBondContact OG-CB 3.31Å; S138-L141 PolarHBondContact OG-N 3.08Å; S138-S142 PolarHBondContact O-N 3.49Å
139Q46.3Very low68.7Low195 Ų19569.6 Ų69.691%0.91134%0.343SS*.G310 helixtrans-58.2-25.6163.4-82.4174.5-37.100111.9R137R137-Q139 PolarHBondContact O-N 2.89Å
140L50.1Low67.1Low166 Ų16676.3 Ų76.387%0.86937%0.373SS*.G310 helixtrans-81.5-17.5177.2-69.7169.6000113.4S138S138-L140 PolarHBondContact O-N 3.46Å; S138-L140 PolarHBondContact OG-N 2.94Å
141L51.7Low65.6Low102 Ų10278.1 Ų78.153%0.53438%0.382SS..G310 helixtrans-127.755.9176.4-60.3163.9000107.8V136 S138 L143V136-L141 WeakPolarHBondContact CG1-O 3.3Å; S138-L141 CarbonylContact O-C 3.54Å; S138-L141 PolarHBondContact O-N 2.92Å; S138-L141 VanDerWaalsContact O-N 3.13Å; S138-L141 WeakPolarHBondContact OG-CB 3.31Å; S138-L141 PolarHBondContact OG-N 3.08Å; L141-L143 PolarHBondContact O-N 2.95Å
142S53.2Low64.3Low95 Ų9578.2 Ų78.266%0.66438%0.383SS*.  trans-53.6105.3143.463.80000103.5S138 P144S138-S142 PolarHBondContact O-N 3.49Å; S142-P144 VanDerWaalsContact O-N 3.08Å
143L58.1Low63.2Low23 Ų2380.7 Ų80.712%0.1240%0.396CS..  trans-41.7127.9171-73.1150.6000105.7V136 L141 Y145 W147 Y148 C202 I204V136-L143 HydrophobicContact CG2-CD1 3.97Å; L141-L143 PolarHBondContact O-N 2.95Å; L143-Y145 PolarHBondContact O-N 3.43Å; L143-Y145 VanDerWaalsContact O-N 3.12Å; L143-W147 HydrophobicContact CB-CD2 4.38Å; L143-W147 HydrophobicContact CB-CE3 3.69Å; L143-W147 HydrophobicContact CB-CZ3 4.34Å; L143-W147 HydrophobicContact CD1-CE3 3.64Å; L143-W147 HydrophobicContact CD1-CH2 4.33Å; L143-W147 HydrophobicContact CD1-CZ3 3.41Å; L143-W147 VanDerWaalsContact CD1-CZ3 3.41Å; L143-W147 HydrophobicContact CD2-CD2 3.51Å; L143-W147 HydrophobicContact CD2-CE3 3.17Å; L143-W147 HydrophobicContact CD2-CG 4.25Å; L143-W147 HydrophobicContact CD2-CH2 3.87Å; L143-W147 HydrophobicContact CD2-CZ2 4.14Å; L143-W147 HydrophobicContact CD2-CZ3 3.4Å; L143-W147 VanDerWaalsContact CD2-CZ3 3.4Å; L143-W147 HydrophobicContact CG-CD2 4.37Å; L143-W147 HydrophobicContact CG-CE3 3.63Å; L143-W147 HydrophobicContact CG-CZ3 3.84Å; L143-Y148 HydrophobicContact CD1-CD2 4.4Å; L143-C202 HydrophobicContact CD2-CB 4.32Å; L143-I204 HydrophobicContact CD1-CD1 3.48Å; L143-I204 VanDerWaalsContact CD1-CD1 3.48Å; L143-I204 HydrophobicContact CD1-CG1 3.8Å
144P62.1Low62.2Low85 Ų8582.4 Ų82.455%0.55241%0.407SS*.  trans-43.4132179.1-28.632.9000107.3S142 D146 W147 Y148S142-P144 VanDerWaalsContact O-N 3.08Å; P144-D146 CarbonylContact O-C 3.48Å; P144-D146 PolarHBondContact O-N 2.94Å; P144-W147 HydrophobicContact CB-CB 4.27Å; P144-W147 HydrophobicContact CG-CB 4.42Å; P144-W147 WeakPolarHBondContact O-CA 3.42Å; P144-W147 WeakPolarHBondContact O-CB 3.43Å; P144-W147 PolarHBondContact O-N 2.82Å; P144-Y148 PolarHBondContact O-N 2.83Å
145Y62.6Low61.5Low177 Ų17782.1 Ų82.169%0.69441%0.405SS*.Hα-helixtrans-46.5-38-174.7169.7-95.3000110.7L143 Y148 S149L143-Y145 PolarHBondContact O-N 3.43Å; L143-Y145 VanDerWaalsContact O-N 3.12Å; Y145-Y148 PolarHBondContact O-N 2.98Å; Y145-S149 WeakPolarHBondContact CE1-OG 3.15Å; Y145-S149 WeakPolarHBondContact O-CB 3.45Å; Y145-S149 PolarHBondContact O-N 3.36Å; Y145-S149 PolarHBondContact O-OG 3.06Å
146D63.2Low61.3Low100 Ų10077.3 Ų77.354%0.53539%0.387SS..Hα-helixtrans-56.8-53.4171-60.3-24.6000112.9P144 Y148 S149 F150P144-D146 CarbonylContact O-C 3.48Å; P144-D146 PolarHBondContact O-N 2.94Å; D146-Y148 VanDerWaalsContact C-N 3.34Å; D146-Y148 PolarHBondContact O-N 2.81Å; D146-S149 CarbonylContact O-C 3.58Å; D146-S149 PolarHBondContact O-N 2.82Å; D146-F150 HydrophobicContact CB-CD2 3.96Å; D146-F150 HydrophobicContact CB-CE2 3.98Å; D146-F150 VanDerWaalsContact O-CB 3.26Å; D146-F150 WeakPolarHBondContact O-CB 3.48Å; D146-F150 WeakPolarHBondContact O-CD2 3.47Å; D146-F150 WeakPolarHBondContact O-CG 3.29Å; D146-F150 PolarHBondContact O-N 3.46Å
147W67.5Low61.4Low75 Ų7575.9 Ų75.928%0.28438%0.383SS..Hα-helixtrans-57.3-45.8177.5-170.899.4000111.9L143 P144 F150 N151 I152 L201 I204L143-W147 HydrophobicContact CB-CD2 4.38Å; L143-W147 HydrophobicContact CB-CE3 3.69Å; L143-W147 HydrophobicContact CB-CZ3 4.34Å; L143-W147 HydrophobicContact CD1-CE3 3.64Å; L143-W147 HydrophobicContact CD1-CH2 4.33Å; L143-W147 HydrophobicContact CD1-CZ3 3.41Å; L143-W147 VanDerWaalsContact CD1-CZ3 3.41Å; L143-W147 HydrophobicContact CD2-CD2 3.51Å; L143-W147 HydrophobicContact CD2-CE3 3.17Å; L143-W147 HydrophobicContact CD2-CG 4.25Å; L143-W147 HydrophobicContact CD2-CH2 3.87Å; L143-W147 HydrophobicContact CD2-CZ2 4.14Å; L143-W147 HydrophobicContact CD2-CZ3 3.4Å; L143-W147 VanDerWaalsContact CD2-CZ3 3.4Å; L143-W147 HydrophobicContact CG-CD2 4.37Å; L143-W147 HydrophobicContact CG-CE3 3.63Å; L143-W147 HydrophobicContact CG-CZ3 3.84Å; P144-W147 HydrophobicContact CB-CB 4.27Å; P144-W147 HydrophobicContact CG-CB 4.42Å; P144-W147 WeakPolarHBondContact O-CA 3.42Å; P144-W147 WeakPolarHBondContact O-CB 3.43Å; P144-W147 PolarHBondContact O-N 2.82Å; W147-F150 PolarHBondContact O-N 3.18Å; W147-N151 HydrophobicContact CD2-CB 4.26Å; W147-N151 HydrophobicContact CE3-CB 4.28Å; W147-N151 HydrophobicContact CH2-CB 4.3Å; W147-N151 HydrophobicContact CZ2-CB 4.29Å; W147-N151 HydrophobicContact CZ3-CB 4.26Å; W147-N151 VanDerWaalsContact O-CB 3.25Å; W147-N151 WeakPolarHBondContact O-CB 3.41Å; W147-N151 PolarHBondContact O-N 2.75Å; W147-N151 PolarHBondContact O-ND2 2.8Å; W147-I152 HydrophobicContact CE3-CG1 4.28Å; W147-I152 HydrophobicContact CH2-CD1 3.95Å; W147-I152 HydrophobicContact CH2-CG1 4.26Å; W147-I152 HydrophobicContact CZ3-CD1 3.74Å; W147-I152 HydrophobicContact CZ3-CG1 3.53Å; W147-L201 HydrophobicContact CH2-CB 4.24Å; W147-L201 HydrophobicContact CH2-CD1 4.33Å; W147-I204 HydrophobicContact CE3-CD1 4.47Å; W147-I204 HydrophobicContact CH2-CD1 3.26Å; W147-I204 HydrophobicContact CZ3-CD1 3.19Å
148Y66.3Low62Low80 Ų8078.9 Ų78.931%0.31439%0.394SS..Hα-helixtrans-63.4-44.7177.5-178.4-96.9000110.9L143 P144 Y145 D146 F150 I152 I153L143-Y148 HydrophobicContact CD1-CD2 4.4Å; P144-Y148 PolarHBondContact O-N 2.83Å; Y145-Y148 PolarHBondContact O-N 2.98Å; D146-Y148 VanDerWaalsContact C-N 3.34Å; D146-Y148 PolarHBondContact O-N 2.81Å; Y148-F150 PolarHBondContact O-N 3.44Å; Y148-I152 HydrophobicContact CD2-CB 3.82Å; Y148-I152 HydrophobicContact CD2-CG1 3.89Å; Y148-I152 HydrophobicContact CD2-CG2 4.1Å; Y148-I152 HydrophobicContact CE2-CB 3.88Å; Y148-I152 HydrophobicContact CE2-CG1 4.26Å; Y148-I152 HydrophobicContact CE2-CG2 3.63Å; Y148-I152 HydrophobicContact CG-CB 4.34Å; Y148-I152 WeakPolarHBondContact O-CA 3.44Å; Y148-I152 VanDerWaalsContact O-CB 3.31Å; Y148-I152 WeakPolarHBondContact O-CB 3.44Å; Y148-I152 PolarHBondContact O-N 3.05Å; Y148-I153 HydrophobicContact CD1-CD1 4Å; Y148-I153 HydrophobicContact CD1-CG1 3.86Å; Y148-I153 HydrophobicContact CE1-CD1 3.92Å; Y148-I153 HydrophobicContact CE1-CG1 3.63Å; Y148-I153 PolarHBondContact O-N 2.97Å; Y148-I153 VanDerWaalsContact O-N 3.1Å
149S63.2Low62.8Low25 Ų2580.9 Ų80.918%0.17540%0.401CS..Hα-helixtrans-67.7-30.9179.1-61.10000113.6Y145 D146 P154Y145-S149 WeakPolarHBondContact CE1-OG 3.15Å; Y145-S149 WeakPolarHBondContact O-CB 3.45Å; Y145-S149 PolarHBondContact O-N 3.36Å; Y145-S149 PolarHBondContact O-OG 3.06Å; D146-S149 CarbonylContact O-C 3.58Å; D146-S149 PolarHBondContact O-N 2.82Å; S149-P154 WeakPolarHBondContact O-CD 3.28Å; S149-P154 WeakPolarHBondContact O-CG 3.45Å
150F66.2Low63.6Low141 Ų14172.9 Ų72.962%0.61836%0.364SS*.Hα-helixtrans-89.3-31.5-179.6-76.9-61.9000113.2D146 W147 Y148 P154D146-F150 HydrophobicContact CB-CD2 3.96Å; D146-F150 HydrophobicContact CB-CE2 3.98Å; D146-F150 VanDerWaalsContact O-CB 3.26Å; D146-F150 WeakPolarHBondContact O-CB 3.48Å; D146-F150 WeakPolarHBondContact O-CD2 3.47Å; D146-F150 WeakPolarHBondContact O-CG 3.29Å; D146-F150 PolarHBondContact O-N 3.46Å; W147-F150 PolarHBondContact O-N 3.18Å; Y148-F150 PolarHBondContact O-N 3.44Å; F150-P154 WeakPolarHBondContact O-CG 3.35Å
151N66.1Low64.3Low38 Ų3869.8 Ų69.820%0.20336%0.362CS..Hα-helixtrans-105.9-33.8-172.8-63.2-75.3000113.5W147 V155W147-N151 HydrophobicContact CD2-CB 4.26Å; W147-N151 HydrophobicContact CE3-CB 4.28Å; W147-N151 HydrophobicContact CH2-CB 4.3Å; W147-N151 HydrophobicContact CZ2-CB 4.29Å; W147-N151 HydrophobicContact CZ3-CB 4.26Å; W147-N151 VanDerWaalsContact O-CB 3.25Å; W147-N151 WeakPolarHBondContact O-CB 3.41Å; W147-N151 PolarHBondContact O-N 2.75Å; W147-N151 PolarHBondContact O-ND2 2.8Å; N151-V155 WeakPolarHBondContact O-CG2 3.15Å
152I68.7Low64.8Low3 Ų372.3 Ų72.32%0.01538%0.377CS..THydrogen-bonded Turntrans-103-54.6-171.1-54.1-53.1000111.6W147 Y148 P154 V155 L156 I204W147-I152 HydrophobicContact CE3-CG1 4.28Å; W147-I152 HydrophobicContact CH2-CD1 3.95Å; W147-I152 HydrophobicContact CH2-CG1 4.26Å; W147-I152 HydrophobicContact CZ3-CD1 3.74Å; W147-I152 HydrophobicContact CZ3-CG1 3.53Å; Y148-I152 HydrophobicContact CD2-CB 3.82Å; Y148-I152 HydrophobicContact CD2-CG1 3.89Å; Y148-I152 HydrophobicContact CD2-CG2 4.1Å; Y148-I152 HydrophobicContact CE2-CB 3.88Å; Y148-I152 HydrophobicContact CE2-CG1 4.26Å; Y148-I152 HydrophobicContact CE2-CG2 3.63Å; Y148-I152 HydrophobicContact CG-CB 4.34Å; Y148-I152 WeakPolarHBondContact O-CA 3.44Å; Y148-I152 VanDerWaalsContact O-CB 3.31Å; Y148-I152 WeakPolarHBondContact O-CB 3.44Å; Y148-I152 PolarHBondContact O-N 3.05Å; I152-P154 VanDerWaalsContact C-CD 3.47Å; I152-P154 VanDerWaalsContact C-N 3.29Å; I152-V155 WeakPolarHBondContact O-CA 3.03Å; I152-V155 WeakPolarHBondContact O-CB 3.32Å; I152-V155 PolarHBondContact O-N 2.89Å; I152-L156 HydrophobicContact CG2-CD1 3.74Å; I152-L156 HydrophobicContact CG2-CG 3.99Å; I152-L156 WeakPolarHBondContact O-CG 3.43Å; I152-L156 PolarHBondContact O-N 3.41Å; I152-I204 HydrophobicContact CD1-CD1 3.46Å; I152-I204 VanDerWaalsContact CD1-CD1 3.46Å; I152-I204 HydrophobicContact CD1-CG2 3.95Å; I152-I204 HydrophobicContact CG1-CD1 3.76Å; I152-I204 HydrophobicContact CG1-CG2 4.41Å; I152-I204 HydrophobicContact CG2-CG2 4.35Å
153I70.4Confident65.7Low53 Ų5371 Ų7127%0.27236%0.362SS..Hα-helixtrans-50.9-44.8179-64-174.2000111.7Y148 V155 L156 G157 Y167Y148-I153 HydrophobicContact CD1-CD1 4Å; Y148-I153 HydrophobicContact CD1-CG1 3.86Å; Y148-I153 HydrophobicContact CE1-CD1 3.92Å; Y148-I153 HydrophobicContact CE1-CG1 3.63Å; Y148-I153 PolarHBondContact O-N 2.97Å; Y148-I153 VanDerWaalsContact O-N 3.1Å; I153-V155 VanDerWaalsContact C-N 3.34Å; I153-V155 PolarHBondContact O-N 2.89Å; I153-L156 PolarHBondContact O-N 3.07Å; I153-G157 PolarHBondContact O-N 3.46Å; I153-Y167 HydrophobicContact CG2-CE2 4.38Å; I153-Y167 WeakPolarHBondContact CG2-OH 3.43Å
154P67.4Low66.5Low40 Ų4079.1 Ų79.126%0.2639%0.391SS..Hα-helixtrans-73.6-23.3-179.7-19.736.6000113.3S149 F150 I152 R158S149-P154 WeakPolarHBondContact O-CD 3.28Å; S149-P154 WeakPolarHBondContact O-CG 3.45Å; F150-P154 WeakPolarHBondContact O-CG 3.35Å; I152-P154 VanDerWaalsContact C-CD 3.47Å; I152-P154 VanDerWaalsContact C-N 3.29Å; P154-R158 WeakPolarHBondContact O-CB 3.32Å; P154-R158 WeakPolarHBondContact O-CG 3.37Å; P154-R158 PolarHBondContact O-N 3.45Å
155V67.7Low67.3Low3 Ų379.9 Ų79.92%0.01839%0.394CS..Hα-helixtrans-69.3-53.4169.6175.30000109.2H6 W9 N151 I152 I153 G157 R158 L159H6-V155 HydrophobicContact CB-CG1 4.3Å; W9-V155 HydrophobicContact CH2-CG1 4.44Å; W9-V155 HydrophobicContact CZ3-CG1 4.27Å; N151-V155 WeakPolarHBondContact O-CG2 3.15Å; I152-V155 WeakPolarHBondContact O-CA 3.03Å; I152-V155 WeakPolarHBondContact O-CB 3.32Å; I152-V155 PolarHBondContact O-N 2.89Å; I153-V155 VanDerWaalsContact C-N 3.34Å; I153-V155 PolarHBondContact O-N 2.89Å; V155-G157 VanDerWaalsContact C-N 3.32Å; V155-G157 PolarHBondContact O-N 3.03Å; V155-R158 PolarHBondContact O-N 3.3Å; V155-R158 VanDerWaalsContact O-N 3.17Å; V155-L159 HydrophobicContact CG1-CD1 3.99Å; V155-L159 HydrophobicContact CG1-CG 4.41Å; V155-L159 WeakPolarHBondContact O-CG 3.18Å; V155-L159 PolarHBondContact O-N 3.5Å
156L68.8Low68.1Low0 Ų073.8 Ų73.80%038%0.378CS..Hα-helixtrans-59-45.2-178.6-63.7179.9000110.6F133 I152 I153 R158 L159 Y167 L170 I174F133-L156 HydrophobicContact CD1-CD2 4.47Å; F133-L156 HydrophobicContact CE1-CD2 3.83Å; F133-L156 HydrophobicContact CE2-CD2 3.91Å; F133-L156 HydrophobicContact CZ-CD2 3.51Å; I152-L156 HydrophobicContact CG2-CD1 3.74Å; I152-L156 HydrophobicContact CG2-CG 3.99Å; I152-L156 WeakPolarHBondContact O-CG 3.43Å; I152-L156 PolarHBondContact O-N 3.41Å; I153-L156 PolarHBondContact O-N 3.07Å; L156-R158 VanDerWaalsContact C-N 3.34Å; L156-R158 PolarHBondContact O-N 3.12Å; L156-L159 PolarHBondContact O-N 2.85Å; L156-Y167 HydrophobicContact CB-CD2 4.32Å; L156-Y167 HydrophobicContact CB-CE2 3.82Å; L156-L170 HydrophobicContact CB-CD2 3.82Å; L156-L170 HydrophobicContact CD2-CD2 3.58Å; L156-L170 HydrophobicContact CD2-CG 4.11Å; L156-L170 HydrophobicContact CG-CD2 4.2Å; L156-I174 HydrophobicContact CD1-CD1 4.27Å; L156-I174 HydrophobicContact CD2-CD1 3.94Å
157G67Low68.7Low21 Ų2171 Ų7122%0.21636%0.36CS..Hα-helixtrans-64.6-31.6177.300000114.1I153 V155I153-G157 PolarHBondContact O-N 3.46Å; V155-G157 VanDerWaalsContact C-N 3.32Å; V155-G157 PolarHBondContact O-N 3.03Å
158R66.5Low69.3Low192 Ų19276.2 Ų76.273%0.72538%0.38SS*.Hα-helixtrans-82.1-26.2176.2-77.1179.2-179-162.1-2.5114.2P154 V155 L156 I160P154-R158 WeakPolarHBondContact O-CB 3.32Å; P154-R158 WeakPolarHBondContact O-CG 3.37Å; P154-R158 PolarHBondContact O-N 3.45Å; V155-R158 PolarHBondContact O-N 3.3Å; V155-R158 VanDerWaalsContact O-N 3.17Å; L156-R158 VanDerWaalsContact C-N 3.34Å; L156-R158 PolarHBondContact O-N 3.12Å; R158-I160 PolarHBondContact O-N 2.93Å
159L64.9Low70.1Confident85 Ų8578.7 Ų78.745%0.44539%0.389SS..Hα-helixtrans-66.6-17.5173.4-74171.6000111.6F133 V155 L156F133-L159 HydrophobicContact CE2-CD1 4.48Å; F133-L159 HydrophobicContact CZ-CD1 4.1Å; V155-L159 HydrophobicContact CG1-CD1 3.99Å; V155-L159 HydrophobicContact CG1-CG 4.41Å; V155-L159 WeakPolarHBondContact O-CG 3.18Å; V155-L159 PolarHBondContact O-N 3.5Å; L156-L159 PolarHBondContact O-N 2.85Å
160I64.9Low71.1Confident27 Ų2777.9 Ų77.914%0.13838%0.383CS..THydrogen-bonded Turntrans-115.2144.1-177.2-69.9165.9000108.5R158 N162 S166 L170R158-I160 PolarHBondContact O-N 2.93Å; I160-N162 PolarHBondContact O-N 3.34Å; I160-S166 VanDerWaalsContact CD1-O 3.29Å; I160-S166 WeakPolarHBondContact CD1-O 3.36Å; I160-L170 HydrophobicContact CD1-CB 3.57Å; I160-L170 HydrophobicContact CD1-CD2 3.4Å; I160-L170 HydrophobicContact CD1-CG 4.13Å; I160-L170 HydrophobicContact CG1-CD2 4.29Å
161A64.8Low71.8Confident100 Ų10072.2 Ų72.283%0.82636%0.36SS*.THydrogen-bonded Turntrans-7348.3-173.600000114D163A161-D163 PolarHBondContact O-N 2.93Å; A161-D163 VanDerWaalsContact O-N 3.1Å
162N61.1Low72.6Confident156 Ų15675.3 Ų75.383%0.83437%0.373SS*.SBendtrans58.220.3-179.6-12428.3000114.5I160I160-N162 PolarHBondContact O-N 3.34Å
163D71.8Confident73.5Confident66 Ų6675.5 Ų75.535%0.35338%0.375SS..  trans-93.8121.8175.2167.340.8000110.8A161 T165 S166 Y167A161-D163 PolarHBondContact O-N 2.93Å; A161-D163 VanDerWaalsContact O-N 3.1Å; D163-T165 PolarHBondContact O-N 3.24Å; D163-T165 PolarHBondContact OD1-N 2.86Å; D163-T165 PolarHBondContact OD1-OG1 2.98Å; D163-T165 WeakPolarHBondContact OD2-CB 3.26Å; D163-S166 PolarHBondContact O-N 3.35Å; D163-S166 WeakPolarHBondContact OD2-CB 3.21Å; D163-S166 PolarHBondContact OD2-N 3.47Å; D163-S166 PolarHBondContact OD2-OG 3.01Å; D163-Y167 PolarHBondContact O-N 3.28Å
164W75.7Confident74.2Confident194 Ų19474.1 Ų74.174%0.73537%0.368SS*.Hα-helixtrans-59.2-34.3178-87.9104.4000112.8Y167 R168W164-Y167 HydrophobicContact CE3-CD1 4.27Å; W164-Y167 HydrophobicContact CZ3-CD1 4.22Å; W164-Y167 PolarHBondContact O-N 3.49Å; W164-R168 WeakPolarHBondContact O-CB 3.39Å; W164-R168 WeakPolarHBondContact O-CG 3.45Å; W164-R168 PolarHBondContact O-N 3.19Å
165T79.3Confident74.9Confident101 Ų10180 Ų8062%0.6239%0.385SS*.Hα-helixtrans-65.4-49.6-179.3-50.10000110.3D163 Y167 R168 Y169D163-T165 PolarHBondContact O-N 3.24Å; D163-T165 PolarHBondContact OD1-N 2.86Å; D163-T165 PolarHBondContact OD1-OG1 2.98Å; D163-T165 WeakPolarHBondContact OD2-CB 3.26Å; T165-Y167 VanDerWaalsContact C-N 3.33Å; T165-Y167 PolarHBondContact O-N 3.47Å; T165-R168 PolarHBondContact O-N 3.48Å; T165-Y169 PolarHBondContact O-N 2.88Å
166S78.5Confident75.8Confident50 Ų5084.2 Ų84.235%0.3541%0.41SS..Hα-helixtrans-61-40.5175.4-63.10000112I160 D163 Y169 L170I160-S166 VanDerWaalsContact CD1-O 3.29Å; I160-S166 WeakPolarHBondContact CD1-O 3.36Å; D163-S166 PolarHBondContact O-N 3.35Å; D163-S166 WeakPolarHBondContact OD2-CB 3.21Å; D163-S166 PolarHBondContact OD2-N 3.47Å; D163-S166 PolarHBondContact OD2-OG 3.01Å; S166-Y169 PolarHBondContact O-N 3.2Å; S166-L170 PolarHBondContact O-N 3.49Å
167Y76.3Confident76.9Confident40 Ų4084.5 Ų84.516%0.15741%0.412CS..Hα-helixtrans-63.1-45.9176.4178.6-97.7000112I153 L156 D163 W164 T165 Y169 L170 V171I153-Y167 HydrophobicContact CG2-CE2 4.38Å; I153-Y167 WeakPolarHBondContact CG2-OH 3.43Å; L156-Y167 HydrophobicContact CB-CD2 4.32Å; L156-Y167 HydrophobicContact CB-CE2 3.82Å; D163-Y167 PolarHBondContact O-N 3.28Å; W164-Y167 HydrophobicContact CE3-CD1 4.27Å; W164-Y167 HydrophobicContact CZ3-CD1 4.22Å; W164-Y167 PolarHBondContact O-N 3.49Å; T165-Y167 VanDerWaalsContact C-N 3.33Å; T165-Y167 PolarHBondContact O-N 3.47Å; Y167-Y169 VanDerWaalsContact C-N 3.34Å; Y167-Y169 PolarHBondContact O-N 2.86Å; Y167-L170 PolarHBondContact O-N 2.69Å; Y167-V171 HydrophobicContact CD1-CG2 4.41Å; Y167-V171 HydrophobicContact CE1-CG2 3.92Å; Y167-V171 HydrophobicContact CE2-CG2 4.34Å; Y167-V171 WeakPolarHBondContact O-CG2 3.32Å; Y167-V171 PolarHBondContact O-N 2.88Å
168R79.9Confident78.1Confident186 Ų18684.7 Ų84.770%0.70241%0.409SS*.Hα-helixtrans-59.2-45.1174.7-76.1-173.867.3-148.3-2.8111.5W164 T165 L170 V171 E172W164-R168 WeakPolarHBondContact O-CB 3.39Å; W164-R168 WeakPolarHBondContact O-CG 3.45Å; W164-R168 PolarHBondContact O-N 3.19Å; T165-R168 PolarHBondContact O-N 3.48Å; R168-L170 VanDerWaalsContact C-N 3.35Å; R168-L170 PolarHBondContact O-N 3.22Å; R168-V171 PolarHBondContact O-N 2.86Å; R168-E172 WeakPolarHBondContact O-CB 3.27Å; R168-E172 PolarHBondContact O-N 2.72Å
169Y83.8Confident79.3Confident131 Ų13176.9 Ų76.951%0.51438%0.382SS..Hα-helixtrans-59.2-44.5176.5176-95.9000111.9T165 S166 Y167 V171 E172 S173T165-Y169 PolarHBondContact O-N 2.88Å; S166-Y169 PolarHBondContact O-N 3.2Å; Y167-Y169 VanDerWaalsContact C-N 3.34Å; Y167-Y169 PolarHBondContact O-N 2.86Å; Y169-V171 PolarHBondContact O-N 2.9Å; Y169-E172 PolarHBondContact O-N 2.74Å; Y169-S173 WeakPolarHBondContact O-CB 3.43Å; Y169-S173 PolarHBondContact O-N 2.77Å; Y169-S173 PolarHBondContact O-OG 2.75Å
170L83.2Confident80.5Confident8 Ų873 Ų734%0.04236%0.362CS..Hα-helixtrans-60.6-48.3177.4175.160000111.7F133 L156 I160 S166 Y167 R168 E172 S173 I174F133-L170 HydrophobicContact CD2-CD1 4.4Å; F133-L170 HydrophobicContact CE2-CD1 4.29Å; L156-L170 HydrophobicContact CB-CD2 3.82Å; L156-L170 HydrophobicContact CD2-CD2 3.58Å; L156-L170 HydrophobicContact CD2-CG 4.11Å; L156-L170 HydrophobicContact CG-CD2 4.2Å; I160-L170 HydrophobicContact CD1-CB 3.57Å; I160-L170 HydrophobicContact CD1-CD2 3.4Å; I160-L170 HydrophobicContact CD1-CG 4.13Å; I160-L170 HydrophobicContact CG1-CD2 4.29Å; S166-L170 PolarHBondContact O-N 3.49Å; Y167-L170 PolarHBondContact O-N 2.69Å; R168-L170 VanDerWaalsContact C-N 3.35Å; R168-L170 PolarHBondContact O-N 3.22Å; L170-E172 VanDerWaalsContact C-N 3.32Å; L170-E172 PolarHBondContact O-N 2.83Å; L170-S173 WeakPolarHBondContact CA-OG 3.41Å; L170-S173 PolarHBondContact O-N 2.9Å; L170-S173 PolarHBondContact O-OG 2.94Å; L170-I174 HydrophobicContact CD1-CD1 3.92Å; L170-I174 HydrophobicContact CD1-CG1 4.24Å; L170-I174 HydrophobicContact CG-CD1 4.04Å; L170-I174 VanDerWaalsContact O-CG1 3.24Å; L170-I174 WeakPolarHBondContact O-CG1 3.33Å; L170-I174 PolarHBondContact O-N 2.86Å
171V80.6Confident81.9Confident23 Ų2375.5 Ų75.514%0.13937%0.373CS..Hα-helixtrans-60.3-43.6177.41740000111.3Y167 R168 Y169 I174 R175Y167-V171 HydrophobicContact CD1-CG2 4.41Å; Y167-V171 HydrophobicContact CE1-CG2 3.92Å; Y167-V171 HydrophobicContact CE2-CG2 4.34Å; Y167-V171 WeakPolarHBondContact O-CG2 3.32Å; Y167-V171 PolarHBondContact O-N 2.88Å; R168-V171 PolarHBondContact O-N 2.86Å; Y169-V171 PolarHBondContact O-N 2.9Å; V171-I174 PolarHBondContact O-N 2.86Å; V171-R175 WeakPolarHBondContact O-CG 3.42Å; V171-R175 PolarHBondContact O-N 3.21Å; V171-R175 VanDerWaalsContact O-N 3.08Å
172E83.3Confident83.4Confident103 Ų10373.8 Ų73.848%0.48135%0.352SS..Hα-helixtrans-64.2-45.7178.5-167.758.4-147.900111.4R168 Y169 L170 I174 R175 T176R168-E172 WeakPolarHBondContact O-CB 3.27Å; R168-E172 PolarHBondContact O-N 2.72Å; Y169-E172 PolarHBondContact O-N 2.74Å; L170-E172 VanDerWaalsContact C-N 3.32Å; L170-E172 PolarHBondContact O-N 2.83Å; E172-I174 VanDerWaalsContact C-N 3.28Å; E172-I174 PolarHBondContact O-N 3.26Å; E172-R175 CarbonylContact O-C 3.41Å; E172-R175 WeakPolarHBondContact O-CA 3.38Å; E172-R175 WeakPolarHBondContact O-CB 3.49Å; E172-R175 PolarHBondContact O-N 2.97Å; E172-T176 HydrophobicContact CG-CG2 4.43Å; E172-T176 WeakPolarHBondContact O-CG2 3.44Å; E172-T176 PolarHBondContact O-N 3.18Å; E172-T176 PolarHBondContact O-OG1 3.45Å
173S87Confident85.1Confident6 Ų666.3 Ų66.34%0.04231%0.312CS..Hα-helixtrans-59.4-37.4177.271.40000112.5R106 Y169 L170 R175 T176 F177R106-S173 WeakPolarHBondContact CD-OG 3.16Å; R106-S173 PolarHBondContact NE-OG 2.85Å; Y169-S173 WeakPolarHBondContact O-CB 3.43Å; Y169-S173 PolarHBondContact O-N 2.77Å; Y169-S173 PolarHBondContact O-OG 2.75Å; L170-S173 WeakPolarHBondContact CA-OG 3.41Å; L170-S173 PolarHBondContact O-N 2.9Å; L170-S173 PolarHBondContact O-OG 2.94Å; S173-R175 VanDerWaalsContact C-N 3.34Å; S173-T176 PolarHBondContact O-OG1 3.18Å; S173-F177 VanDerWaalsContact O-CB 3.23Å; S173-F177 WeakPolarHBondContact O-CB 3.26Å; S173-F177 PolarHBondContact O-N 3.4Å
174I84.9Confident86.4Confident25 Ų2563.5 Ų63.513%0.12830%0.298CS..Hα-helixtrans-67.6-38175.3-65.4167.2000110.6F133 L156 L170 V171 E172F133-I174 HydrophobicContact CB-CD1 3.96Å; F133-I174 HydrophobicContact CB-CG1 3.73Å; F133-I174 HydrophobicContact CB-CG2 4.15Å; F133-I174 HydrophobicContact CD1-CD1 4.41Å; F133-I174 HydrophobicContact CD2-CD1 3.86Å; F133-I174 HydrophobicContact CD2-CG1 4.11Å; F133-I174 HydrophobicContact CE2-CD1 4.49Å; F133-I174 HydrophobicContact CG-CD1 3.83Å; F133-I174 HydrophobicContact CG-CG1 4.08Å; L156-I174 HydrophobicContact CD1-CD1 4.27Å; L156-I174 HydrophobicContact CD2-CD1 3.94Å; L170-I174 HydrophobicContact CD1-CD1 3.92Å; L170-I174 HydrophobicContact CD1-CG1 4.24Å; L170-I174 HydrophobicContact CG-CD1 4.04Å; L170-I174 VanDerWaalsContact O-CG1 3.24Å; L170-I174 WeakPolarHBondContact O-CG1 3.33Å; L170-I174 PolarHBondContact O-N 2.86Å; V171-I174 PolarHBondContact O-N 2.86Å; E172-I174 VanDerWaalsContact C-N 3.28Å; E172-I174 PolarHBondContact O-N 3.26Å
175R82.3Confident87.5Confident164 Ų16459.6 Ų59.662%0.61929%0.286SS*.Hα-helixtrans-74-27.1179.8-75.8177.5173.1-174.3-2.6113.4R135 V171 E172 S173R135-R175 PolarHBondContact NE-O 2.83Å; R135-R175 PolarHBondContact NH2-O 2.82Å; V171-R175 WeakPolarHBondContact O-CG 3.42Å; V171-R175 PolarHBondContact O-N 3.21Å; V171-R175 VanDerWaalsContact O-N 3.08Å; E172-R175 CarbonylContact O-C 3.41Å; E172-R175 WeakPolarHBondContact O-CA 3.38Å; E172-R175 WeakPolarHBondContact O-CB 3.49Å; E172-R175 PolarHBondContact O-N 2.97Å; S173-R175 VanDerWaalsContact C-N 3.34Å
176T87Confident88.4Confident90 Ų9056.4 Ų56.455%0.55227%0.265SS*.Hα-helixtrans-90.2-30.8177.4560000112R135 E172 S173R135-T176 PolarHBondContact NH2-O 2.89Å; E172-T176 HydrophobicContact CG-CG2 4.43Å; E172-T176 WeakPolarHBondContact O-CG2 3.44Å; E172-T176 PolarHBondContact O-N 3.18Å; E172-T176 PolarHBondContact O-OG1 3.45Å; S173-T176 PolarHBondContact O-OG1 3.18Å
177F91.2Very high89.3Confident6 Ų654 Ų543%0.02625%0.248CC..SBendtrans-56.3139.1177-167.2-107.8000111.5I105 R106 I111 E132 R135 S173 F183I105-F177 HydrophobicContact CG2-CE2 3.75Å; I105-F177 HydrophobicContact CG2-CZ 3.71Å; R106-F177 HydrophobicContact CB-CB 4.28Å; R106-F177 HydrophobicContact CB-CD2 3.61Å; R106-F177 HydrophobicContact CB-CE2 4.18Å; R106-F177 HydrophobicContact CB-CG 4.04Å; I111-F177 HydrophobicContact CD1-CD2 3.9Å; I111-F177 HydrophobicContact CD1-CE2 3.69Å; E132-F177 HydrophobicContact CB-CE1 4.24Å; E132-F177 HydrophobicContact CG-CD1 4.03Å; E132-F177 HydrophobicContact CG-CE1 3.67Å; E132-F177 HydrophobicContact CG-CZ 3.95Å; R135-F177 PolarHBondContact NE-O 3.29Å; R135-F177 PolarHBondContact NH2-O 3.25Å; S173-F177 VanDerWaalsContact O-CB 3.23Å; S173-F177 WeakPolarHBondContact O-CB 3.26Å; S173-F177 PolarHBondContact O-N 3.4Å; F177-F183 HydrophobicContact CE1-CD1 4.08Å; F177-F183 HydrophobicContact CE1-CD2 4.41Å; F177-F183 HydrophobicContact CE1-CE1 4.44Å; F177-F183 HydrophobicContact CE1-CG 4.09Å; F177-F183 HydrophobicContact CE2-CD2 4.49Å; F177-F183 HydrophobicContact CE2-CE2 4.43Å; F177-F183 AromaticContact CZ-CD1 3.97Å; F177-F183 HydrophobicContact CZ-CD1 3.97Å; F177-F183 AromaticContact CZ-CD2 3.8Å; F177-F183 HydrophobicContact CZ-CD2 3.8Å; F177-F183 AromaticContact CZ-CE1 3.98Å; F177-F183 HydrophobicContact CZ-CE1 3.98Å; F177-F183 AromaticContact CZ-CE2 3.83Å; F177-F183 HydrophobicContact CZ-CE2 3.83Å; F177-F183 AromaticContact CZ-CG 3.9Å; F177-F183 HydrophobicContact CZ-CG 3.9Å; F177-F183 AromaticContact CZ-CZ 3.94Å; F177-F183 HydrophobicContact CZ-CZ 3.94Å
178P92.3Very high90.4Very high25 Ų2558.3 Ų58.316%0.16227%0.27CS..PPolyproline II helixtrans-58.2146.6-179.8-21.932.4000111.7I111 T182 F183 L186I111-P178 HydrophobicContact CD1-CG 4.43Å; P178-T182 HydrophobicContact CB-CG2 3.91Å; P178-F183 HydrophobicContact CB-CB 4.14Å; P178-L186 HydrophobicContact CB-CD1 4.41Å; P178-L186 HydrophobicContact CG-CD1 3.89Å
179D91.5Very high91.3Very high28 Ų2856.4 Ų56.415%0.1527%0.269CS..PPolyproline II helixtrans-66.7171171.370.336.9000111.6R135 R137 Q181 T182 F183R135-D179 HydrophobicContact CB-CB 4.3Å; R137-D179 IonicContact CZ-OD1 3.54Å; R137-D179 IonicContact CZ-OD2 3.79Å; R137-D179 IonicContact NE-OD1 3.51Å; R137-D179 IonicContact NE-OD2 2.72Å; R137-D179 PolarHBondContact NE-OD2 3Å; R137-D179 VanDerWaalsContact NE-OD2 3.09Å; R137-D179 IonicContact NH2-OD1 3.51Å; R137-D179 PolarHBondContact NH2-OD1 3.27Å; R137-D179 IonicContact NH2-OD2 2.69Å; R137-D179 PolarHBondContact NH2-OD2 3.17Å; D179-Q181 PolarHBondContact O-N 2.75Å; D179-Q181 PolarHBondContact OD1-N 3.11Å; D179-T182 PolarHBondContact O-N 3Å; D179-T182 VanDerWaalsContact O-N 3.16Å; D179-T182 VanDerWaalsContact OD1-CB 3.31Å; D179-T182 WeakPolarHBondContact OD1-CB 3.33Å; D179-T182 PolarHBondContact OD1-N 2.64Å; D179-T182 PolarHBondContact OD1-OG1 2.72Å; D179-F183 WeakPolarHBondContact O-CB 3.43Å; D179-F183 PolarHBondContact O-N 2.87Å
180Q92Very high92Very high5 Ų551 Ų512%0.02325%0.251CS..Hα-helixtrans-55.4-48.4-172.5-57.383.6-14.900112.9S134 R135 T182 A184 W197 N199 G203 A206 H208S134-Q180 WeakPolarHBondContact OG-CG 3.37Å; S134-Q180 PolarHBondContact OG-N 3.43Å; S134-Q180 PolarHBondContact OG-NE2 3.26Å; S134-Q180 VanDerWaalsContact OG-NE2 3.15Å; S134-Q180 PolarHBondContact OG-OE1 3.3Å; R135-Q180 PolarHBondContact O-NE2 3.47Å; R135-Q180 PolarHBondContact O-OE1 3.45Å; Q180-T182 VanDerWaalsContact C-N 3.33Å; Q180-T182 PolarHBondContact O-N 3.31Å; Q180-A184 VanDerWaalsContact O-CB 3.24Å; Q180-A184 WeakPolarHBondContact O-CB 3.28Å; Q180-A184 PolarHBondContact O-N 2.82Å; Q180-W197 HydrophobicContact CB-CD2 4.18Å; Q180-W197 HydrophobicContact CB-CG 4.03Å; Q180-N199 WeakPolarHBondContact CG-OD1 3.43Å; Q180-N199 PolarHBondContact NE2-OD1 2.9Å; Q180-G203 PolarHBondContact NE2-O 3.38Å; Q180-A206 HydrophobicContact CG-CB 3.92Å; Q180-H208 PolarHBondContact O-CE1 3.25Å; Q180-H208 VanDerWaalsContact O-CE1 3.26Å
181Q94.4Very high92.7Very high79 Ų7952.1 Ų52.137%0.36926%0.263SS..Hα-helixtrans-69.2-38.1-177-170.5-176.114.800110.8D179 K185 W197D179-Q181 PolarHBondContact O-N 2.75Å; D179-Q181 PolarHBondContact OD1-N 3.11Å; Q181-K185 WeakPolarHBondContact O-CG 3.48Å; Q181-K185 PolarHBondContact O-N 3.43Å; Q181-W197 HydrophobicContact CB-CH2 4.26Å; Q181-W197 HydrophobicContact CB-CZ2 4.47Å; Q181-W197 HydrophobicContact CG-CH2 4.25Å
182T95.5Very high93.5Very high63 Ų6351.1 Ų51.139%0.38726%0.257SS..Hα-helixtrans-67.7-45178.7-520000110.6P178 D179 Q180 A184 K185 L186P178-T182 HydrophobicContact CB-CG2 3.91Å; D179-T182 PolarHBondContact O-N 3Å; D179-T182 VanDerWaalsContact O-N 3.16Å; D179-T182 VanDerWaalsContact OD1-CB 3.31Å; D179-T182 WeakPolarHBondContact OD1-CB 3.33Å; D179-T182 PolarHBondContact OD1-N 2.64Å; D179-T182 PolarHBondContact OD1-OG1 2.72Å; Q180-T182 VanDerWaalsContact C-N 3.33Å; Q180-T182 PolarHBondContact O-N 3.31Å; T182-A184 PolarHBondContact O-N 3.37Å; T182-K185 WeakPolarHBondContact O-CB 3.33Å; T182-K185 PolarHBondContact O-N 3.21Å; T182-L186 PolarHBondContact O-N 3.4Å
183F97.4Very high94.2Very high0 Ų051.3 Ų51.30%026%0.258CS..Hα-helixtrans-65.4-38.8176.2-172.2-129.5000112.1I105 I111 L115 C130 F177 P178 D179 K185 L186 I187 H208I105-F183 HydrophobicContact CD1-CE2 4.12Å; I105-F183 HydrophobicContact CD1-CZ 3.87Å; I105-F183 HydrophobicContact CG2-CZ 4.34Å; I111-F183 HydrophobicContact CG2-CD2 4.4Å; I111-F183 HydrophobicContact CG2-CE2 3.81Å; L115-F183 HydrophobicContact CD1-CE2 4.38Å; L115-F183 HydrophobicContact CD2-CE2 4.46Å; L115-F183 HydrophobicContact CD2-CZ 4.46Å; C130-F183 HydrophobicContact CB-CE1 4.17Å; F177-F183 HydrophobicContact CE1-CD1 4.08Å; F177-F183 HydrophobicContact CE1-CD2 4.41Å; F177-F183 HydrophobicContact CE1-CE1 4.44Å; F177-F183 HydrophobicContact CE1-CG 4.09Å; F177-F183 HydrophobicContact CE2-CD2 4.49Å; F177-F183 HydrophobicContact CE2-CE2 4.43Å; F177-F183 AromaticContact CZ-CD1 3.97Å; F177-F183 HydrophobicContact CZ-CD1 3.97Å; F177-F183 AromaticContact CZ-CD2 3.8Å; F177-F183 HydrophobicContact CZ-CD2 3.8Å; F177-F183 AromaticContact CZ-CE1 3.98Å; F177-F183 HydrophobicContact CZ-CE1 3.98Å; F177-F183 AromaticContact CZ-CE2 3.83Å; F177-F183 HydrophobicContact CZ-CE2 3.83Å; F177-F183 AromaticContact CZ-CG 3.9Å; F177-F183 HydrophobicContact CZ-CG 3.9Å; F177-F183 AromaticContact CZ-CZ 3.94Å; F177-F183 HydrophobicContact CZ-CZ 3.94Å; P178-F183 HydrophobicContact CB-CB 4.14Å; D179-F183 WeakPolarHBondContact O-CB 3.43Å; D179-F183 PolarHBondContact O-N 2.87Å; F183-K185 VanDerWaalsContact C-N 3.3Å; F183-K185 PolarHBondContact O-N 3.3Å; F183-L186 HydrophobicContact CD2-CD1 4.4Å; F183-L186 WeakPolarHBondContact O-CB 3.43Å; F183-L186 PolarHBondContact O-N 3.25Å; F183-L186 VanDerWaalsContact O-N 3.16Å; F183-I187 HydrophobicContact CD1-CD1 3.91Å; F183-I187 HydrophobicContact CE1-CD1 3.67Å; F183-I187 HydrophobicContact CE1-CG1 4.34Å; F183-I187 HydrophobicContact CE2-CD1 4.45Å; F183-I187 HydrophobicContact CE2-CG1 4.26Å; F183-I187 HydrophobicContact CG-CD1 4.39Å; F183-I187 HydrophobicContact CZ-CD1 3.94Å; F183-I187 HydrophobicContact CZ-CG1 4.12Å; F183-I187 WeakPolarHBondContact O-CG1 3.43Å; F183-I187 PolarHBondContact O-N 3Å; F183-H208 HydrophobicContact CD1-CB 4.33Å; F183-H208 AromaticContact CD1-CD2 3.66Å; F183-H208 AromaticContact CD1-CE1 3.73Å; F183-H208 AromaticContact CD1-CG 3.6Å; F183-H208 AromaticContact CD1-ND1 3.62Å; F183-H208 AromaticContact CD1-NE2 3.76Å; F183-H208 HydrophobicContact CE1-CB 4.11Å; F183-H208 AromaticContact CE1-CG 3.84Å
184A98.2Very high94.8Very high7 Ų755.3 Ų55.36%0.05829%0.286CS..Hα-helixtrans-60.5-39.1172.800000112.4Q180 T182 I187 Q188 V195 W197Q180-A184 VanDerWaalsContact O-CB 3.24Å; Q180-A184 WeakPolarHBondContact O-CB 3.28Å; Q180-A184 PolarHBondContact O-N 2.82Å; T182-A184 PolarHBondContact O-N 3.37Å; A184-I187 PolarHBondContact O-N 3.28Å; A184-Q188 PolarHBondContact O-N 2.69Å; A184-V195 HydrophobicContact CB-CG1 4.05Å; A184-W197 HydrophobicContact CB-CD2 4.48Å; A184-W197 HydrophobicContact CB-CE3 3.49Å; A184-W197 VanDerWaalsContact CB-CE3 3.49Å; A184-W197 HydrophobicContact CB-CZ3 3.65Å
185K98.3Very high95.4Very high112 Ų11255.5 Ų55.549%0.48729%0.289SS..Hα-helixtrans-63.5-42.6172.8-73.8176.4179.9-176.80111.9Q181 T182 F183 I187 Q188 Q189Q181-K185 WeakPolarHBondContact O-CG 3.48Å; Q181-K185 PolarHBondContact O-N 3.43Å; T182-K185 WeakPolarHBondContact O-CB 3.33Å; T182-K185 PolarHBondContact O-N 3.21Å; F183-K185 VanDerWaalsContact C-N 3.3Å; F183-K185 PolarHBondContact O-N 3.3Å; K185-I187 PolarHBondContact O-N 2.77Å; K185-Q188 PolarHBondContact O-N 3.49Å; K185-Q189 WeakPolarHBondContact O-CB 3.39Å; K185-Q189 VanDerWaalsContact O-CG 3.23Å; K185-Q189 WeakPolarHBondContact O-CG 3.48Å; K185-Q189 PolarHBondContact O-N 3.24Å
186L98.3Very high96.2Very high34 Ų3451.3 Ų51.318%0.17828%0.281CS..Hα-helixtrans-60.4-44.1176-68.7172.9000111.8L115 P178 T182 F183 Q188 Q189 S190L115-L186 HydrophobicContact CD1-CB 4.05Å; P178-L186 HydrophobicContact CB-CD1 4.41Å; P178-L186 HydrophobicContact CG-CD1 3.89Å; T182-L186 PolarHBondContact O-N 3.4Å; F183-L186 HydrophobicContact CD2-CD1 4.4Å; F183-L186 WeakPolarHBondContact O-CB 3.43Å; F183-L186 PolarHBondContact O-N 3.25Å; F183-L186 VanDerWaalsContact O-N 3.16Å; L186-Q188 VanDerWaalsContact C-N 3.32Å; L186-Q188 PolarHBondContact O-N 3.46Å; L186-Q189 PolarHBondContact O-N 2.67Å; L186-S190 PolarHBondContact O-N 3.44Å
187I98.8Very high96.6Very high0 Ų051.6 Ų51.60%027%0.272CS..Hα-helixtrans-60.1-43.2174.9-64.8164.1000110.8L115 F128 F183 A184 K185 S190 F192 V195 H208L115-I187 HydrophobicContact CD1-CG1 4.27Å; L115-I187 HydrophobicContact CD2-CG1 3.82Å; F128-I187 HydrophobicContact CD1-CG2 4.37Å; F128-I187 HydrophobicContact CE1-CD1 3.95Å; F128-I187 HydrophobicContact CE1-CG1 4.14Å; F183-I187 HydrophobicContact CD1-CD1 3.91Å; F183-I187 HydrophobicContact CE1-CD1 3.67Å; F183-I187 HydrophobicContact CE1-CG1 4.34Å; F183-I187 HydrophobicContact CE2-CD1 4.45Å; F183-I187 HydrophobicContact CE2-CG1 4.26Å; F183-I187 HydrophobicContact CG-CD1 4.39Å; F183-I187 HydrophobicContact CZ-CD1 3.94Å; F183-I187 HydrophobicContact CZ-CG1 4.12Å; F183-I187 WeakPolarHBondContact O-CG1 3.43Å; F183-I187 PolarHBondContact O-N 3Å; A184-I187 PolarHBondContact O-N 3.28Å; K185-I187 PolarHBondContact O-N 2.77Å; I187-S190 PolarHBondContact O-N 2.74Å; I187-S190 PolarHBondContact O-OG 2.83Å; I187-F192 HydrophobicContact CG2-CB 3.75Å; I187-F192 HydrophobicContact CG2-CD2 3.72Å; I187-F192 HydrophobicContact CG2-CG 3.94Å; I187-F192 WeakPolarHBondContact O-CB 3.1Å; I187-F192 WeakPolarHBondContact O-CD2 3.18Å; I187-F192 PolarHBondContact O-N 3.12Å; I187-V195 HydrophobicContact CB-CG1 3.99Å; I187-V195 HydrophobicContact CB-CG2 4.43Å; I187-V195 HydrophobicContact CD1-CG1 4.48Å; I187-V195 HydrophobicContact CG2-CB 4.46Å; I187-V195 HydrophobicContact CG2-CG1 3.82Å; I187-V195 HydrophobicContact CG2-CG2 3.74Å; I187-H208 HydrophobicContact CD1-CB 3.74Å
188Q98.6Very high96.7Very high129 Ų12954.5 Ų54.560%0.60329%0.29SS*.Hα-helixtrans-66.3-41.8177.8-174.5178.5-11.200111.8A184 K185 L186 S190 G191 V195A184-Q188 PolarHBondContact O-N 2.69Å; K185-Q188 PolarHBondContact O-N 3.49Å; L186-Q188 VanDerWaalsContact C-N 3.32Å; L186-Q188 PolarHBondContact O-N 3.46Å; Q188-S190 VanDerWaalsContact C-N 3.3Å; Q188-S190 PolarHBondContact O-N 3.36Å; Q188-G191 PolarHBondContact O-N 2.84Å; Q188-G191 VanDerWaalsContact O-N 3.08Å; Q188-V195 HydrophobicContact CB-CG2 4.04Å
189Q98.3Very high96.6Very high146 Ų14657.1 Ų57.168%0.68230%0.303SS*.Hα-helixtrans-65.1-31.7179.3-75.9169.2-26.400112.7K185 L186 G191K185-Q189 WeakPolarHBondContact O-CB 3.39Å; K185-Q189 VanDerWaalsContact O-CG 3.23Å; K185-Q189 WeakPolarHBondContact O-CG 3.48Å; K185-Q189 PolarHBondContact O-N 3.24Å; L186-Q189 PolarHBondContact O-N 2.67Å; Q189-G191 PolarHBondContact O-N 2.98Å
190S98Very high96.3Very high19 Ų1957.1 Ų57.113%0.13330%0.303CS..THydrogen-bonded Turntrans-71.2-9.2174.8770000113.1L119 L186 I187 Q188 F192L119-S190 WeakPolarHBondContact CD2-O 3.39Å; L186-S190 PolarHBondContact O-N 3.44Å; I187-S190 PolarHBondContact O-N 2.74Å; I187-S190 PolarHBondContact O-OG 2.83Å; Q188-S190 VanDerWaalsContact C-N 3.3Å; Q188-S190 PolarHBondContact O-N 3.36Å; S190-F192 VanDerWaalsContact OG-CD2 3.29Å; S190-F192 WeakPolarHBondContact OG-CD2 3.25Å
191G98.1Very high95.5Very high30 Ų3059.6 Ų59.631%0.30932%0.315SS..THydrogen-bonded Turntrans113.63.5174.100000115.4Q188 Q189 P213Q188-G191 PolarHBondContact O-N 2.84Å; Q188-G191 VanDerWaalsContact O-N 3.08Å; Q189-G191 PolarHBondContact O-N 2.98Å; G191-P213 VanDerWaalsContact O-CD 3.32Å; G191-P213 WeakPolarHBondContact O-CD 3.3Å; G191-P213 WeakPolarHBondContact O-CG 3.32Å
192F98.7Very high94.3Very high3 Ų359.9 Ų59.91%0.01333%0.326CS..  trans-73.9146.5173.2-70-80.7000112A118 L119 L122 F128 I187 S190 V195A118-F192 HydrophobicContact CB-CZ 4.17Å; L119-F192 HydrophobicContact CB-CE1 4.44Å; L119-F192 HydrophobicContact CB-CE2 3.95Å; L119-F192 HydrophobicContact CB-CZ 3.79Å; L119-F192 HydrophobicContact CD1-CD1 3.72Å; L119-F192 HydrophobicContact CD1-CD2 4.2Å; L119-F192 HydrophobicContact CD1-CE1 3.57Å; L119-F192 HydrophobicContact CD1-CE2 4.08Å; L119-F192 HydrophobicContact CD1-CG 4.03Å; L119-F192 HydrophobicContact CD1-CZ 3.76Å; L119-F192 HydrophobicContact CG-CZ 4.42Å; L122-F192 HydrophobicContact CD1-CE1 3.68Å; L122-F192 HydrophobicContact CD1-CZ 4.06Å; F128-F192 HydrophobicContact CB-CD1 4.01Å; F128-F192 HydrophobicContact CB-CE1 3.38Å; F128-F192 HydrophobicContact CB-CE2 4.28Å; F128-F192 HydrophobicContact CB-CZ 3.55Å; F128-F192 HydrophobicContact CD2-CZ 4.29Å; F128-F192 HydrophobicContact CG-CE1 4.26Å; F128-F192 HydrophobicContact CG-CE2 4.32Å; F128-F192 AromaticContact CG-CZ 3.96Å; F128-F192 HydrophobicContact CG-CZ 3.96Å; I187-F192 HydrophobicContact CG2-CB 3.75Å; I187-F192 HydrophobicContact CG2-CD2 3.72Å; I187-F192 HydrophobicContact CG2-CG 3.94Å; I187-F192 WeakPolarHBondContact O-CB 3.1Å; I187-F192 WeakPolarHBondContact O-CD2 3.18Å; I187-F192 PolarHBondContact O-N 3.12Å; S190-F192 VanDerWaalsContact OG-CD2 3.29Å; S190-F192 WeakPolarHBondContact OG-CD2 3.25Å; F192-V195 HydrophobicContact CB-CG2 3.94Å
193Q98.3Very high93.3Very high106 Ų10657 Ų5750%0.49531%0.308SS..EExtended strand (participates in β ladder)trans-108.6165.1174.9-70.5177.7-8.500111.5V195 Y211 P213Q193-V195 PolarHBondContact O-N 3.46Å; Q193-Y211 PolarHBondContact N-O 2.84Å; Q193-Y211 PolarHBondContact O-N 3.36Å; Q193-P213 HydrophobicContact CG-CG 4.02Å
194S97.7Very high92.5Very high91 Ų9157.4 Ų57.464%0.63631%0.31SS*.EExtended strand (participates in β ladder)trans51.441.3178.9-58.30000112.4T196S194-T196 PolarHBondContact O-N 2.83Å
195V98.7Very high92Very high29 Ų2957 Ų5718%0.17631%0.307CS..EExtended strand (participates in β ladder)trans-70.9125.5-176.5-176.90000109.6A184 I187 Q188 F192 Q193 S209A184-V195 HydrophobicContact CB-CG1 4.05Å; I187-V195 HydrophobicContact CB-CG1 3.99Å; I187-V195 HydrophobicContact CB-CG2 4.43Å; I187-V195 HydrophobicContact CD1-CG1 4.48Å; I187-V195 HydrophobicContact CG2-CB 4.46Å; I187-V195 HydrophobicContact CG2-CG1 3.82Å; I187-V195 HydrophobicContact CG2-CG2 3.74Å; Q188-V195 HydrophobicContact CB-CG2 4.04Å; F192-V195 HydrophobicContact CB-CG2 3.94Å; Q193-V195 PolarHBondContact O-N 3.46Å; V195-S209 CarbonylContact C-O 3.6Å; V195-S209 VanDerWaalsContact CA-O 3.29Å; V195-S209 WeakPolarHBondContact CA-O 3.45Å
196T97.9Very high91.8Very high75 Ų7551.7 Ų51.746%0.4628%0.284SS..EExtended strand (participates in β ladder)trans-138.1159.9-178.551.50000110S194 H208 S209S194-T196 PolarHBondContact O-N 2.83Å; T196-H208 WeakPolarHBondContact O-CA 3.38Å; T196-S209 PolarHBondContact N-O 2.98Å; T196-S209 PolarHBondContact O-N 2.78Å
197W96.2Very high91.7Very high96 Ų9650.1 Ų50.136%0.36428%0.276SS..EExtended strand (participates in β ladder)trans-140.1147.7167.272.392.3000111.4Q180 Q181 A184 I207 H208Q180-W197 HydrophobicContact CB-CD2 4.18Å; Q180-W197 HydrophobicContact CB-CG 4.03Å; Q181-W197 HydrophobicContact CB-CH2 4.26Å; Q181-W197 HydrophobicContact CB-CZ2 4.47Å; Q181-W197 HydrophobicContact CG-CH2 4.25Å; A184-W197 HydrophobicContact CB-CD2 4.48Å; A184-W197 HydrophobicContact CB-CE3 3.49Å; A184-W197 VanDerWaalsContact CB-CE3 3.49Å; A184-W197 HydrophobicContact CB-CZ3 3.65Å; W197-I207 CarbonylContact C-O 3.51Å; W197-I207 WeakPolarHBondContact CA-O 3.42Å; W197-H208 VanDerWaalsContact CB-CE1 3.5Å; W197-H208 WeakPolarHBondContact CB-CE1 3.38Å; W197-H208 AromaticContact CG-CE1 3.92Å
198T93.7Very high91.7Very high67 Ų6750.2 Ų50.241%0.41128%0.276SS..EExtended strand (participates in β ladder)trans-118.3121.6176-55.30000108.9A206 I207T198-A206 WeakPolarHBondContact O-CA 3.44Å; T198-I207 PolarHBondContact N-O 3.18Å; T198-I207 PolarHBondContact O-N 3.4Å
199N90Very high91.7Very high81 Ų8144.2 Ų44.243%0.43325%0.248SC..EExtended strand (participates in β ladder)trans-78.5136.4176-77.4-32.6000111.3Q180Q180-N199 WeakPolarHBondContact CG-OD1 3.43Å; Q180-N199 PolarHBondContact NE2-OD1 2.9Å
200M84.6Confident91.7Very high28 Ų2837.3 Ų37.314%0.13822%0.216CC..EExtended strand (participates in β ladder)trans-115.3143.6171.2-55-171.178.100109.6W9 T12 C202 G203 I204 V205 I207W9-M200 HydrophobicContact CB-CE 4.48Å; W9-M200 HydrophobicContact CB-SD 4.24Å; W9-M200 HydrophobicContact CG-CE 4.37Å; W9-M200 HydrophobicContact CG-SD 4.27Å; T12-M200 HydrophobicContact CG2-CE 3.77Å; T12-M200 HydrophobicContact CG2-SD 4.41Å; M200-C202 PolarHBondContact O-N 3.34Å; M200-G203 PolarHBondContact O-N 2.92Å; M200-G203 VanDerWaalsContact O-N 3.09Å; M200-I204 PolarHBondContact O-N 2.79Å; M200-V205 HydrophobicContact CB-CB 4.21Å; M200-V205 PolarHBondContact N-O 3.44Å; M200-V205 PolarHBondContact O-N 2.77Å; M200-V205 HydrophobicContact SD-CG1 4.41Å; M200-I207 HydrophobicContact SD-CD1 3.79Å; M200-I207 HydrophobicContact SD-CG1 4.17Å
201L76Confident91.8Very high56 Ų5640.5 Ų40.529%0.29323%0.226SC..G310 helixtrans43.965.6-177.6-61.9-170.1000113.2L5 W9 W147 G203 I204L5-L201 HydrophobicContact CD1-CD1 3.87Å; L5-L201 HydrophobicContact CD2-CD1 3.88Å; L5-L201 HydrophobicContact CD2-CD2 4.32Å; L5-L201 HydrophobicContact CG-CD1 4.32Å; W9-L201 HydrophobicContact CZ2-CD1 3.48Å; W9-L201 VanDerWaalsContact CZ2-CD1 3.48Å; W9-L201 HydrophobicContact CZ2-CG 4.3Å; W147-L201 HydrophobicContact CH2-CB 4.24Å; W147-L201 HydrophobicContact CH2-CD1 4.33Å; L201-G203 PolarHBondContact O-N 3.48Å; L201-I204 HydrophobicContact CB-CD1 4.12Å; L201-I204 WeakPolarHBondContact O-CD1 3.43Å; L201-I204 VanDerWaalsContact O-CG1 3.26Å; L201-I204 WeakPolarHBondContact O-CG1 3.48Å; L201-I204 PolarHBondContact O-N 2.94Å
202C69.9Low91.8Very high86 Ų8640.6 Ų40.658%0.58122%0.218SC*.G310 helixtrans58.920.5178.2-550000114.8L143 M200L143-C202 HydrophobicContact CD2-CB 4.32Å; M200-C202 PolarHBondContact O-N 3.34Å
203G74.3Confident91.7Very high1 Ų141.7 Ų41.71%0.0123%0.225CC..G310 helixtrans95.210.4173.900000115.5S134 Q180 M200 L201 V205S134-G203 CarbonylContact C-O 3.54Å; Q180-G203 PolarHBondContact NE2-O 3.38Å; M200-G203 PolarHBondContact O-N 2.92Å; M200-G203 VanDerWaalsContact O-N 3.09Å; L201-G203 PolarHBondContact O-N 3.48Å; G203-V205 VanDerWaalsContact C-N 3.26Å
204I79.9Confident91.5Very high9 Ų941.8 Ų41.85%0.04623%0.233CC..THydrogen-bonded Turntrans-70-30.3175.6-59161000111.4F133 S134 V136 L143 W147 I152 M200 L201F133-I204 CarbonylContact C-O 3.47Å; F133-I204 VanDerWaalsContact CA-O 3.29Å; F133-I204 WeakPolarHBondContact CA-O 3.38Å; F133-I204 HydrophobicContact CD1-CG2 4.37Å; S134-I204 PolarHBondContact N-O 3.48Å; V136-I204 HydrophobicContact CG2-CG1 3.6Å; L143-I204 HydrophobicContact CD1-CD1 3.48Å; L143-I204 VanDerWaalsContact CD1-CD1 3.48Å; L143-I204 HydrophobicContact CD1-CG1 3.8Å; W147-I204 HydrophobicContact CE3-CD1 4.47Å; W147-I204 HydrophobicContact CH2-CD1 3.26Å; W147-I204 HydrophobicContact CZ3-CD1 3.19Å; I152-I204 HydrophobicContact CD1-CD1 3.46Å; I152-I204 VanDerWaalsContact CD1-CD1 3.46Å; I152-I204 HydrophobicContact CD1-CG2 3.95Å; I152-I204 HydrophobicContact CG1-CD1 3.76Å; I152-I204 HydrophobicContact CG1-CG2 4.41Å; I152-I204 HydrophobicContact CG2-CG2 4.35Å; M200-I204 PolarHBondContact O-N 2.79Å; L201-I204 HydrophobicContact CB-CD1 4.12Å; L201-I204 WeakPolarHBondContact O-CD1 3.43Å; L201-I204 VanDerWaalsContact O-CG1 3.26Å; L201-I204 WeakPolarHBondContact O-CG1 3.48Å; L201-I204 PolarHBondContact O-N 2.94Å
205V87.8Confident90.6Very high0 Ų042 Ų420%023%0.231CC..EExtended strand (participates in β ladder)trans-128140.2174.8174.90000107W9 F103 L131 E132 F133 M200 G203W9-V205 HydrophobicContact CD2-CB 4.32Å; W9-V205 HydrophobicContact CD2-CG1 4.3Å; W9-V205 HydrophobicContact CD2-CG2 3.82Å; W9-V205 HydrophobicContact CE3-CG2 3.7Å; W9-V205 HydrophobicContact CG-CG1 4.37Å; W9-V205 HydrophobicContact CH2-CG2 3.59Å; W9-V205 HydrophobicContact CZ2-CG2 3.69Å; W9-V205 HydrophobicContact CZ3-CG2 3.6Å; F103-V205 HydrophobicContact CE1-CG1 4.41Å; F103-V205 HydrophobicContact CE1-CG2 4.48Å; F103-V205 HydrophobicContact CZ-CG1 4.35Å; L131-V205 HydrophobicContact CD1-CG1 3.42Å; L131-V205 VanDerWaalsContact CD1-CG1 3.42Å; L131-V205 HydrophobicContact CG-CG1 4.34Å; E132-V205 CarbonylContact O-C 3.55Å; E132-V205 WeakPolarHBondContact O-CA 3.44Å; F133-V205 HydrophobicContact CD1-CG2 3.66Å; F133-V205 HydrophobicContact CE1-CG2 3.85Å; M200-V205 HydrophobicContact CB-CB 4.21Å; M200-V205 PolarHBondContact N-O 3.44Å; M200-V205 PolarHBondContact O-N 2.77Å; M200-V205 HydrophobicContact SD-CG1 4.41Å; G203-V205 VanDerWaalsContact C-N 3.26Å
206A93.4Very high88.8Confident0 Ų050 Ų500%026%0.258CS..EExtended strand (participates in β ladder)trans-129.4141.8175.600000110E132 Q180 T198E132-A206 PolarHBondContact N-O 3.25Å; E132-A206 PolarHBondContact O-N 2.84Å; Q180-A206 HydrophobicContact CG-CB 3.92Å; T198-A206 WeakPolarHBondContact O-CA 3.44Å
207I97.3Very high86.8Confident1 Ų152.4 Ų52.41%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-99.8113166.3-62.5169.8000106.7T12 F13 E16 M129 C130 L131 W197 T198 M200T12-I207 HydrophobicContact CG2-CD1 4.11Å; F13-I207 HydrophobicContact CB-CD1 4.21Å; F13-I207 HydrophobicContact CD2-CD1 4.3Å; F13-I207 HydrophobicContact CD2-CG1 4.06Å; F13-I207 HydrophobicContact CD2-CG2 3.82Å; F13-I207 HydrophobicContact CE2-CG2 4.14Å; E16-I207 WeakPolarHBondContact OE2-CG2 3.33Å; M129-I207 HydrophobicContact CE-CG2 3.77Å; C130-I207 CarbonylContact O-C 3.58Å; C130-I207 WeakPolarHBondContact O-CA 3.5Å; L131-I207 HydrophobicContact CD1-CD1 4.39Å; L131-I207 HydrophobicContact CD1-CG1 3.62Å; W197-I207 CarbonylContact C-O 3.51Å; W197-I207 WeakPolarHBondContact CA-O 3.42Å; T198-I207 PolarHBondContact N-O 3.18Å; T198-I207 PolarHBondContact O-N 3.4Å; M200-I207 HydrophobicContact SD-CD1 3.79Å; M200-I207 HydrophobicContact SD-CG1 4.17Å
208H98.4Very high84.5Confident2 Ų260.2 Ų60.21%0.00932%0.315CS..EExtended strand (participates in β ladder)trans-93.3144.2171.5-69.9-97.6000109.9M129 C130 Q180 F183 I187 T196 W197M129-H208 CarbonylContact C-O 3.54Å; M129-H208 VanDerWaalsContact CA-O 3.31Å; M129-H208 WeakPolarHBondContact CA-O 3.46Å; C130-H208 HydrophobicContact CB-CB 4.23Å; C130-H208 PolarHBondContact N-O 3.35Å; C130-H208 PolarHBondContact O-N 3.24Å; Q180-H208 PolarHBondContact O-CE1 3.25Å; Q180-H208 VanDerWaalsContact O-CE1 3.26Å; F183-H208 HydrophobicContact CD1-CB 4.33Å; F183-H208 AromaticContact CD1-CD2 3.66Å; F183-H208 AromaticContact CD1-CE1 3.73Å; F183-H208 AromaticContact CD1-CG 3.6Å; F183-H208 AromaticContact CD1-ND1 3.62Å; F183-H208 AromaticContact CD1-NE2 3.76Å; F183-H208 HydrophobicContact CE1-CB 4.11Å; F183-H208 AromaticContact CE1-CG 3.84Å; I187-H208 HydrophobicContact CD1-CB 3.74Å; T196-H208 WeakPolarHBondContact O-CA 3.38Å; W197-H208 VanDerWaalsContact CB-CE1 3.5Å; W197-H208 WeakPolarHBondContact CB-CE1 3.38Å; W197-H208 AromaticContact CG-CE1 3.92Å
209S98.7Very high84Confident3 Ų359.9 Ų59.92%0.02131%0.31CS..EExtended strand (participates in β ladder)trans-142.5143178.9-179.20000110.3R127 F128 V195 T196R127-S209 PolarHBondContact NE-OG 3.34Å; R127-S209 PolarHBondContact NH2-OG 3.14Å; R127-S209 VanDerWaalsContact NH2-OG 3.07Å; F128-S209 VanDerWaalsContact O-CA 3.3Å; F128-S209 WeakPolarHBondContact O-CA 3.43Å; V195-S209 CarbonylContact C-O 3.6Å; V195-S209 VanDerWaalsContact CA-O 3.29Å; V195-S209 WeakPolarHBondContact CA-O 3.45Å; T196-S209 PolarHBondContact N-O 2.98Å; T196-S209 PolarHBondContact O-N 2.78Å
210G98.7Very high83.7Confident0 Ų058.8 Ų58.80%030%0.303CS..EExtended strand (participates in β ladder)trans-153.1160.7172.100000110.7F128F128-G210 PolarHBondContact N-O 3.16Å; F128-G210 PolarHBondContact O-N 3.36Å
211Y98.7Very high83.6Confident87 Ų8760.5 Ų60.534%0.34131%0.312SS..EExtended strand (participates in β ladder)trans-118.9136.1-179.6-67.1-91.2000110.7G126 R127 Q193G126-Y211 WeakPolarHBondContact O-CA 3.32Å; R127-Y211 HydrophobicContact CB-CD1 3.97Å; R127-Y211 HydrophobicContact CB-CE1 3.78Å; R127-Y211 HydrophobicContact CG-CD1 4.02Å; R127-Y211 HydrophobicContact CG-CE1 3.61Å; R127-Y211 HydrophobicContact CG-CE2 4.49Å; R127-Y211 PolarHBondContact NE-OH 3.22Å; Q193-Y211 PolarHBondContact N-O 2.84Å; Q193-Y211 PolarHBondContact O-N 3.36Å
212K98.5Very high84.1Confident31 Ų3160.8 Ų60.814%0.13531%0.314CS..  trans-64.4133.8168.8-177171.7-172167.80108.5N94 L119 R120 L122 M123 G125 G126 T214N94-K212 PolarHBondContact OD1-NZ 3.21Å; L119-K212 HydrophobicContact CD1-CB 3.91Å; L119-K212 HydrophobicContact CD1-CD 4.3Å; L119-K212 HydrophobicContact CD1-CG 3.72Å; L119-K212 HydrophobicContact CG-CG 4.42Å; L119-K212 VanDerWaalsContact O-CD 3.26Å; L119-K212 WeakPolarHBondContact O-CD 3.34Å; L119-K212 WeakPolarHBondContact O-CE 3.44Å; L119-K212 PolarHBondContact O-NZ 2.86Å; R120-K212 PolarHBondContact O-NZ 2.78Å; L122-K212 HydrophobicContact CB-CB 4.38Å; L122-K212 HydrophobicContact CB-CD 4.06Å; L122-K212 WeakPolarHBondContact O-CD 3.4Å; L122-K212 WeakPolarHBondContact O-CE 3.42Å; L122-K212 PolarHBondContact O-NZ 2.84Å; M123-K212 WeakPolarHBondContact O-CD 3.31Å; G125-K212 VanDerWaalsContact CA-O 3.25Å; G125-K212 WeakPolarHBondContact CA-O 3.4Å; G125-K212 PolarHBondContact N-O 2.87Å; G126-K212 PolarHBondContact O-N 3.42Å; K212-T214 PolarHBondContact O-N 3.18Å
213P98Very high85Confident26 Ų2659.2 Ų59.217%0.16930%0.297CS..  trans-50.9140.1174.9-26.433.3000112.1P124 G191 Q193P124-P213 WeakPolarHBondContact CA-O 3.19Å; P124-P213 WeakPolarHBondContact CB-O 2.92Å; G191-P213 VanDerWaalsContact O-CD 3.32Å; G191-P213 WeakPolarHBondContact O-CD 3.3Å; G191-P213 WeakPolarHBondContact O-CG 3.32Å; Q193-P213 HydrophobicContact CG-CG 4.02Å
214T92.6Very high85.7Confident108 Ų10863.1 Ų63.166%0.66332%0.316SS*.SBendtrans-76.6-26.9179.3500000112.5K212K212-T214 PolarHBondContact O-N 3.18Å
215T80Confident86.1Confident96 Ų9666.9 Ų66.959%0.58934%0.335SS*.SBendtrans-100.9141.5174.2520000109.8
216R61.1Low86Confident198 Ų19872.1 Ų72.175%0.74736%0.361SS*.PPolyproline II helixtrans-65.2139.8162.5-71-174.6-179.7-172.2-0.9107.4H218R216-H218 PolarHBondContact O-N 3.48Å
217P55.8Low85.3Confident125 Ų12578.1 Ų78.181%0.81239%0.391SS*.PPolyproline II helixtrans-53.4126.7163.622.1-28.8000107.8
218H46.3Very low84.3Confident260 Ų26085.1 Ų85.1100%1.20443%0.426SS*.  trans-62.40173.4-76.3-70.7000110.8R216R216-H218 PolarHBondContact O-N 3.48Å

Retrieved 218 of 218 residues in 239.5 ms (Link to these results)

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