G4VP31_SCHMA Loading...

Cytochrome b5

AlphaFold DB , UniProt , Accession G4VP31, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 129 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
1M42.2Very low83.2Confident240 Ų240110.3 Ų110.3100%1.18259%0.594SS**  0105.40-72.8-87177.700105.7S3M1-S3 PolarHBondContact O-N 3.37Å; M1-S3 VanDerWaalsContact O-N 3.08Å
2S53.1Low84.2Confident129 Ų129105.3 Ų105.390%0.90257%0.567SS**  trans-74.996.5174.4-58.80000107E4S2-E4 PolarHBondContact O-N 2.93Å; S2-E4 VanDerWaalsContact O-N 3.16Å
3S68.5Low85.2Confident104 Ų10497.2 Ų97.273%0.72752%0.523SS*.  trans-59.4114.9168.229.80000107.5M1 V5M1-S3 PolarHBondContact O-N 3.37Å; M1-S3 VanDerWaalsContact O-N 3.08Å; S3-V5 PolarHBondContact O-N 2.76Å
4E82.9Confident86Confident182 Ų182100.9 Ų100.985%0.8553%0.526SS*.  trans-56.5113.1176.3-174.2173.996.500108.6S2 K6S2-E4 PolarHBondContact O-N 2.93Å; S2-E4 VanDerWaalsContact O-N 3.16Å; E4-K6 PolarHBondContact O-N 2.76Å
5V90.6Very high86.8Confident69 Ų69102.9 Ų102.942%0.41853%0.529SS..  trans-75114.6179.7174.90000107.7S3 Y76 E79S3-V5 PolarHBondContact O-N 2.76Å; V5-Y76 WeakPolarHBondContact CG1-OH 3.48Å; V5-E79 HydrophobicContact CG1-CB 4.01Å; V5-E79 HydrophobicContact CG1-CG 3.72Å
6K95.4Very high87.4Confident133 Ų13398.8 Ų98.858%0.57851%0.507SS*.  trans-68.4138172-67.8178.5-178.1174.50109.1E4 F8 G78 E79E4-K6 PolarHBondContact O-N 2.76Å; K6-F8 HydrophobicContact CB-CD2 4.48Å; K6-F8 HydrophobicContact CB-CE2 3.69Å; K6-F8 HydrophobicContact CB-CZ 3.86Å; K6-F8 HydrophobicContact CD-CZ 4.06Å; K6-G78 CarbonylContact O-C 3.47Å; K6-G78 WeakPolarHBondContact O-CA 3.47Å; K6-E79 PolarHBondContact O-N 3.2Å
7V96.3Very high87.9Confident92 Ų9298.3 Ų98.356%0.55851%0.505SS*.EExtended strand (participates in β ladder)trans-110.4126.1177.4-178.60000108.3E79 A81V7-E79 CarbonylContact C-O 3.49Å; V7-E79 VanDerWaalsContact CA-O 3.31Å; V7-E79 WeakPolarHBondContact CA-O 3.27Å; V7-A81 HydrophobicContact CG1-CB 3.98Å
8F97.1Very high88.3Confident34 Ų3499.4 Ų99.415%0.14951%0.506CS..EExtended strand (participates in β ladder)trans-114143.5179.5-61.7-79.8000110.2K6 V13 W23 V30 I77 E79 I80 A81K6-F8 HydrophobicContact CB-CD2 4.48Å; K6-F8 HydrophobicContact CB-CE2 3.69Å; K6-F8 HydrophobicContact CB-CZ 3.86Å; K6-F8 HydrophobicContact CD-CZ 4.06Å; F8-V13 HydrophobicContact CB-CG2 4.19Å; F8-W23 HydrophobicContact CD1-CH2 4.28Å; F8-W23 AromaticContact CD1-CZ3 3.78Å; F8-W23 HydrophobicContact CD1-CZ3 3.78Å; F8-W23 AromaticContact CE1-CH2 3.79Å; F8-W23 HydrophobicContact CE1-CH2 3.79Å; F8-W23 AromaticContact CE1-CZ3 3.75Å; F8-W23 HydrophobicContact CE1-CZ3 3.75Å; F8-W23 HydrophobicContact CG-CZ3 4.29Å; F8-W23 HydrophobicContact CZ-CH2 4.17Å; F8-W23 HydrophobicContact CZ-CZ3 4.24Å; F8-V30 HydrophobicContact CB-CG2 4.25Å; F8-V30 HydrophobicContact CD2-CB 4.18Å; F8-V30 HydrophobicContact CD2-CG1 4.42Å; F8-V30 HydrophobicContact CD2-CG2 4.06Å; F8-I77 HydrophobicContact CE2-CB 4.47Å; F8-I77 HydrophobicContact CE2-CD1 3.96Å; F8-I77 HydrophobicContact CE2-CG1 4.04Å; F8-I77 HydrophobicContact CZ-CD1 4.04Å; F8-E79 PolarHBondContact N-O 3.43Å; F8-I80 CarbonylContact O-C 3.57Å; F8-I80 WeakPolarHBondContact O-CA 3.43Å; F8-I80 WeakPolarHBondContact O-CD1 3.49Å; F8-A81 WeakPolarHBondContact O-CB 3.35Å; F8-A81 PolarHBondContact O-N 3.48Å
9T96.7Very high88.3Confident51 Ų5198.1 Ų98.131%0.31350%0.504SS..  trans-81.7160.2168.366.10000110.2E11 D12 V13 A81 D84T9-E11 PolarHBondContact O-N 2.8Å; T9-D12 PolarHBondContact N-OD2 3.43Å; T9-D12 WeakPolarHBondContact O-CB 3.34Å; T9-D12 PolarHBondContact O-N 2.84Å; T9-D12 PolarHBondContact OG1-N 3.28Å; T9-D12 VanDerWaalsContact OG1-N 3.14Å; T9-D12 PolarHBondContact OG1-OD2 3.45Å; T9-V13 PolarHBondContact O-N 3.4Å; T9-V13 VanDerWaalsContact O-N 3.12Å; T9-A81 HydrophobicContact CG2-CB 4.41Å; T9-D84 WeakPolarHBondContact CA-OD2 3.48Å
10L95.7Very high88.6Confident33 Ų3399.2 Ų99.217%0.17351%0.511CS..Hα-helixtrans-60.7-35.4173.7-176.664.1000111.1D12 V13 R14 Y54 I80 D84L10-D12 VanDerWaalsContact C-N 3.27Å; L10-D12 PolarHBondContact O-N 3.45Å; L10-V13 PolarHBondContact O-N 3.22Å; L10-R14 HydrophobicContact CG-CG 4.41Å; L10-R14 WeakPolarHBondContact O-CB 3.4Å; L10-R14 VanDerWaalsContact O-CG 3.22Å; L10-R14 WeakPolarHBondContact O-CG 3.39Å; L10-R14 PolarHBondContact O-N 3.18Å; L10-Y54 HydrophobicContact CD1-CD2 4.37Å; L10-Y54 HydrophobicContact CD1-CE2 3.66Å; L10-Y54 HydrophobicContact CD2-CE2 3.87Å; L10-Y54 HydrophobicContact CG-CE2 4.4Å; L10-I80 HydrophobicContact CB-CD1 4.35Å; L10-D84 HydrophobicContact CB-CB 4.02Å; L10-D84 PolarHBondContact N-OD2 3.31Å
11E96.4Very high88.9Confident146 Ų14697 Ų9768%0.68250%0.5SS*.Hα-helixtrans-63.1-33.4175.3-63.8-170.8159.400112.7T9 K15T9-E11 PolarHBondContact O-N 2.8Å; E11-K15 WeakPolarHBondContact O-CE 3.43Å; E11-K15 WeakPolarHBondContact O-CG 3.4Å
12D96.2Very high91.5Very high50 Ų5085.5 Ų85.527%0.26744%0.444SS..Hα-helixtrans-67.9-51173.9-63.9-44.2000110.4T9 L10 R14 K15 H16T9-D12 PolarHBondContact N-OD2 3.43Å; T9-D12 WeakPolarHBondContact O-CB 3.34Å; T9-D12 PolarHBondContact O-N 2.84Å; T9-D12 PolarHBondContact OG1-N 3.28Å; T9-D12 VanDerWaalsContact OG1-N 3.14Å; T9-D12 PolarHBondContact OG1-OD2 3.45Å; L10-D12 VanDerWaalsContact C-N 3.27Å; L10-D12 PolarHBondContact O-N 3.45Å; D12-R14 VanDerWaalsContact C-N 3.25Å; D12-R14 PolarHBondContact O-N 3.07Å; D12-K15 WeakPolarHBondContact O-CB 2.97Å; D12-K15 PolarHBondContact O-N 3.43Å; D12-K15 IonicContact OD1-NZ 2.76Å; D12-K15 PolarHBondContact OD1-NZ 3.35Å; D12-H16 PolarHBondContact O-CD2 3.04Å
13V97Very high93.7Very high0 Ų080.7 Ų80.70%041%0.406CS..Hα-helixtrans-56.4-40.6178.4-179.60000111.5F8 T9 L10 K15 H16 W23 V25 V30 G52 I80F8-V13 HydrophobicContact CB-CG2 4.19Å; T9-V13 PolarHBondContact O-N 3.4Å; T9-V13 VanDerWaalsContact O-N 3.12Å; L10-V13 PolarHBondContact O-N 3.22Å; V13-K15 PolarHBondContact O-N 3.42Å; V13-K15 VanDerWaalsContact O-N 3.11Å; V13-H16 WeakPolarHBondContact O-CB 3.05Å; V13-H16 PolarHBondContact O-N 2.68Å; V13-W23 HydrophobicContact CG1-CB 4.08Å; V13-W23 HydrophobicContact CG2-CE3 4.42Å; V13-V25 HydrophobicContact CB-CG2 4.37Å; V13-V25 HydrophobicContact CG1-CG2 3.82Å; V13-V25 HydrophobicContact CG2-CG2 4.01Å; V13-V30 HydrophobicContact CG2-CG1 3.88Å; V13-V30 HydrophobicContact CG2-CG2 4.05Å; V13-G52 WeakPolarHBondContact O-CA 3.31Å; V13-I80 HydrophobicContact CG2-CD1 3.95Å
14R96.8Very high95Very high150 Ų15076 Ų7657%0.56637%0.373SS*.THydrogen-bonded Turntrans-61.8-19178.9-75.917878.8120.512.7114.9L10 D12 H16 G52L10-R14 HydrophobicContact CG-CG 4.41Å; L10-R14 WeakPolarHBondContact O-CB 3.4Å; L10-R14 VanDerWaalsContact O-CG 3.22Å; L10-R14 WeakPolarHBondContact O-CG 3.39Å; L10-R14 PolarHBondContact O-N 3.18Å; D12-R14 VanDerWaalsContact C-N 3.25Å; D12-R14 PolarHBondContact O-N 3.07Å; R14-H16 VanDerWaalsContact C-N 3.26Å; R14-G52 WeakPolarHBondContact CA-O 3.41Å; R14-G52 WeakPolarHBondContact CG-O 3.48Å
15K97.1Very high95.7Very high130 Ų13067.3 Ų67.357%0.56533%0.332SS*.THydrogen-bonded Turntrans-73.5-23.5174.9-63.8161.9-166.9162.20111.6E11 D12 V13 N17E11-K15 WeakPolarHBondContact O-CE 3.43Å; E11-K15 WeakPolarHBondContact O-CG 3.4Å; D12-K15 WeakPolarHBondContact O-CB 2.97Å; D12-K15 PolarHBondContact O-N 3.43Å; D12-K15 IonicContact OD1-NZ 2.76Å; D12-K15 PolarHBondContact OD1-NZ 3.35Å; V13-K15 PolarHBondContact O-N 3.42Å; V13-K15 VanDerWaalsContact O-N 3.11Å; K15-N17 PolarHBondContact O-N 3.36Å
16H97.1Very high96Very high38 Ų3864.4 Ų64.418%0.17631%0.314CS..  trans-97.865.3-177.4-57.2-84.7000110D12 V13 R14 D21 W23 G52D12-H16 PolarHBondContact O-CD2 3.04Å; V13-H16 WeakPolarHBondContact O-CB 3.05Å; V13-H16 PolarHBondContact O-N 2.68Å; R14-H16 VanDerWaalsContact C-N 3.26Å; H16-D21 CarbonylContact C-O 3.54Å; H16-D21 VanDerWaalsContact CA-O 3.28Å; H16-D21 WeakPolarHBondContact CA-O 3.42Å; H16-D21 IonicContact CE1-OD1 3.76Å; H16-D21 IonicContact CE1-OD2 3.6Å; H16-D21 IonicContact CG-OD1 3.61Å; H16-D21 IonicContact CG-OD2 3.69Å; H16-D21 IonicContact ND1-OD1 2.74Å; H16-D21 PolarHBondContact ND1-OD1 3.45Å; H16-D21 IonicContact ND1-OD2 2.82Å; H16-D21 PolarHBondContact ND1-OD2 3.02Å; H16-W23 HydrophobicContact CB-CB 3.69Å; H16-W23 HydrophobicContact CB-CD2 3.66Å; H16-W23 HydrophobicContact CB-CE3 4.2Å; H16-W23 HydrophobicContact CB-CG 3.41Å; H16-W23 VanDerWaalsContact CB-CG 3.41Å; H16-W23 AromaticContact CD2-CD2 3.52Å; H16-W23 AromaticContact CD2-CE2 3.84Å; H16-W23 AromaticContact CD2-CE3 3.31Å; H16-W23 AromaticContact CD2-CH2 3.8Å; H16-W23 AromaticContact CD2-CZ2 3.99Å; H16-W23 AromaticContact CD2-CZ3 3.45Å; H16-W23 VanDerWaalsContact CD2-CZ3 3.45Å; H16-W23 WeakPolarHBondContact CD2-CZ3 3.44Å; H16-W23 AromaticContact CE1-CE2 3.81Å; H16-W23 AromaticContact CE1-CH2 3.72Å; H16-W23 AromaticContact CE1-CZ2 3.53Å; H16-W23 AromaticContact CG-CD2 3.41Å; H16-W23 VanDerWaalsContact CG-CD2 3.41Å; H16-W23 AromaticContact CG-CE2 3.59Å; H16-W23 AromaticContact CG-CE3 3.73Å; H16-W23 AromaticContact CG-CG 3.75Å; H16-W23 AromaticContact CG-NE1 3.95Å; H16-W23 AromaticContact ND1-CD2 3.9Å; H16-W23 AromaticContact ND1-CE2 3.54Å; H16-W23 AromaticContact ND1-CZ2 3.75Å; H16-W23 AromaticContact ND1-NE1 3.79Å; H16-W23 AromaticContact NE2-CE3 3.87Å; H16-W23 AromaticContact NE2-CH2 3.41Å; H16-W23 WeakPolarHBondContact NE2-CH2 3.42Å; H16-W23 AromaticContact NE2-CZ2 3.7Å; H16-W23 AromaticContact NE2-CZ3 3.51Å; H16-W23 PolarHBondContact O-N 3.24Å; H16-G52 PolarHBondContact O-N 2.96Å
17N95.8Very high96Very high90 Ų9062.5 Ų62.548%0.48131%0.307SS..EExtended strand (participates in β ladder)trans-118.622.6-174.475-15.9000114.2K15 D21 A51K15-N17 PolarHBondContact O-N 3.36Å; N17-D21 PolarHBondContact N-O 3.07Å; N17-A51 HydrophobicContact CB-CB 4.36Å
18K94.1Very high96Very high118 Ų11860.3 Ų60.351%0.51329%0.292SS..EExtended strand (participates in β ladder)trans-113.5157.4-177.5-68.5-174.8-176.2-71.20110.8D20 D21 L22K18-D20 VanDerWaalsContact CB-OD1 3.3Å; K18-D20 WeakPolarHBondContact CB-OD1 3.4Å; K18-D20 PolarHBondContact O-N 3.23Å; K18-D21 HydrophobicContact CB-CB 4.48Å; K18-D21 PolarHBondContact N-O 3.42Å; K18-D21 CarbonylContact O-C 3Å; K18-D21 PolarHBondContact O-N 3.14Å; K18-L22 WeakPolarHBondContact O-CA 3.37Å; K18-L22 WeakPolarHBondContact O-CB 3.32Å; K18-L22 PolarHBondContact O-N 3.42Å
19P89.6Confident95.9Very high74 Ų7462.3 Ų62.348%0.48130%0.301SS..THydrogen-bonded Turntrans-59.3-31.1176.222.2-33.9000113.5E48P19-E48 HydrophobicContact CB-CG 4.46Å
20D93.2Very high96Very high120 Ų12059.9 Ų59.964%0.64229%0.286SS*.THydrogen-bonded Turntrans-90.50.2176.660.1-49.2000114.1K18 T34K18-D20 VanDerWaalsContact CB-OD1 3.3Å; K18-D20 WeakPolarHBondContact CB-OD1 3.4Å; K18-D20 PolarHBondContact O-N 3.23Å; D20-T34 VanDerWaalsContact C-CG2 3.4Å; D20-T34 WeakPolarHBondContact O-CG2 3.32Å
21D96.3Very high96.1Very high53 Ų5358.6 Ų58.628%0.28328%0.279SS..EExtended strand (participates in β ladder)trans-157.782.1177.9-171.821000109.5H16 N17 K18H16-D21 CarbonylContact C-O 3.54Å; H16-D21 VanDerWaalsContact CA-O 3.28Å; H16-D21 WeakPolarHBondContact CA-O 3.42Å; H16-D21 IonicContact CE1-OD1 3.76Å; H16-D21 IonicContact CE1-OD2 3.6Å; H16-D21 IonicContact CG-OD1 3.61Å; H16-D21 IonicContact CG-OD2 3.69Å; H16-D21 IonicContact ND1-OD1 2.74Å; H16-D21 PolarHBondContact ND1-OD1 3.45Å; H16-D21 IonicContact ND1-OD2 2.82Å; H16-D21 PolarHBondContact ND1-OD2 3.02Å; N17-D21 PolarHBondContact N-O 3.07Å; K18-D21 HydrophobicContact CB-CB 4.48Å; K18-D21 PolarHBondContact N-O 3.42Å; K18-D21 CarbonylContact O-C 3Å; K18-D21 PolarHBondContact O-N 3.14Å
22L96.3Very high96.1Very high0 Ų054 Ų540%026%0.259CS..EExtended strand (participates in β ladder)trans-119.9105.2-164.5-164.5152.2000111.1K18 I24 L33 T34 L47 E48 A51K18-L22 WeakPolarHBondContact O-CA 3.37Å; K18-L22 WeakPolarHBondContact O-CB 3.32Å; K18-L22 PolarHBondContact O-N 3.42Å; L22-I24 HydrophobicContact CD2-CD1 3.86Å; L22-I24 HydrophobicContact CD2-CG1 3.76Å; L22-L33 HydrophobicContact CD2-CB 3.84Å; L22-L33 HydrophobicContact CD2-CD1 4.39Å; L22-L33 PolarHBondContact O-N 3.1Å; L22-T34 PolarHBondContact N-OG1 3.14Å; L22-T34 PolarHBondContact O-N 3.42Å; L22-L47 HydrophobicContact CD1-CB 4.04Å; L22-L47 HydrophobicContact CD2-CB 4.11Å; L22-E48 HydrophobicContact CD1-CG 4.08Å; L22-A51 HydrophobicContact CD1-CB 4.1Å; L22-A51 HydrophobicContact CD2-CB 4.37Å; L22-A51 HydrophobicContact CG-CB 3.73Å
23W98Very high96.1Very high28 Ų2852 Ų5211%0.10625%0.248CC..EExtended strand (participates in β ladder)trans-111.8144.1174.8-64.16.3000111.5F8 V13 H16 V30 Y31 G52 I77F8-W23 HydrophobicContact CD1-CH2 4.28Å; F8-W23 AromaticContact CD1-CZ3 3.78Å; F8-W23 HydrophobicContact CD1-CZ3 3.78Å; F8-W23 AromaticContact CE1-CH2 3.79Å; F8-W23 HydrophobicContact CE1-CH2 3.79Å; F8-W23 AromaticContact CE1-CZ3 3.75Å; F8-W23 HydrophobicContact CE1-CZ3 3.75Å; F8-W23 HydrophobicContact CG-CZ3 4.29Å; F8-W23 HydrophobicContact CZ-CH2 4.17Å; F8-W23 HydrophobicContact CZ-CZ3 4.24Å; V13-W23 HydrophobicContact CG1-CB 4.08Å; V13-W23 HydrophobicContact CG2-CE3 4.42Å; H16-W23 HydrophobicContact CB-CB 3.69Å; H16-W23 HydrophobicContact CB-CD2 3.66Å; H16-W23 HydrophobicContact CB-CE3 4.2Å; H16-W23 HydrophobicContact CB-CG 3.41Å; H16-W23 VanDerWaalsContact CB-CG 3.41Å; H16-W23 AromaticContact CD2-CD2 3.52Å; H16-W23 AromaticContact CD2-CE2 3.84Å; H16-W23 AromaticContact CD2-CE3 3.31Å; H16-W23 AromaticContact CD2-CH2 3.8Å; H16-W23 AromaticContact CD2-CZ2 3.99Å; H16-W23 AromaticContact CD2-CZ3 3.45Å; H16-W23 VanDerWaalsContact CD2-CZ3 3.45Å; H16-W23 WeakPolarHBondContact CD2-CZ3 3.44Å; H16-W23 AromaticContact CE1-CE2 3.81Å; H16-W23 AromaticContact CE1-CH2 3.72Å; H16-W23 AromaticContact CE1-CZ2 3.53Å; H16-W23 AromaticContact CG-CD2 3.41Å; H16-W23 VanDerWaalsContact CG-CD2 3.41Å; H16-W23 AromaticContact CG-CE2 3.59Å; H16-W23 AromaticContact CG-CE3 3.73Å; H16-W23 AromaticContact CG-CG 3.75Å; H16-W23 AromaticContact CG-NE1 3.95Å; H16-W23 AromaticContact ND1-CD2 3.9Å; H16-W23 AromaticContact ND1-CE2 3.54Å; H16-W23 AromaticContact ND1-CZ2 3.75Å; H16-W23 AromaticContact ND1-NE1 3.79Å; H16-W23 AromaticContact NE2-CE3 3.87Å; H16-W23 AromaticContact NE2-CH2 3.41Å; H16-W23 WeakPolarHBondContact NE2-CH2 3.42Å; H16-W23 AromaticContact NE2-CZ2 3.7Å; H16-W23 AromaticContact NE2-CZ3 3.51Å; H16-W23 PolarHBondContact O-N 3.24Å; W23-V30 HydrophobicContact CB-CG1 4.46Å; W23-V30 HydrophobicContact CD2-CG1 4.42Å; W23-V30 HydrophobicContact CE3-CG1 3.88Å; W23-Y31 VanDerWaalsContact CA-O 3.25Å; W23-Y31 WeakPolarHBondContact CA-O 3.46Å; W23-G52 WeakPolarHBondContact O-CA 3.39Å; W23-G52 PolarHBondContact O-N 3Å; W23-I77 HydrophobicContact CD2-CD1 3.66Å; W23-I77 HydrophobicContact CE3-CD1 3.69Å; W23-I77 HydrophobicContact CG-CD1 4.43Å; W23-I77 HydrophobicContact CH2-CD1 3.61Å; W23-I77 HydrophobicContact CZ2-CD1 3.56Å; W23-I77 HydrophobicContact CZ3-CD1 3.67Å
24I97.5Very high96.1Very high4 Ų453.8 Ų53.82%0.02126%0.259CS..EExtended strand (participates in β ladder)trans-134.3143.2175.9-59-174.6000109L22 I26 Y31 L33 L47 Q50L22-I24 HydrophobicContact CD2-CD1 3.86Å; L22-I24 HydrophobicContact CD2-CG1 3.76Å; I24-I26 HydrophobicContact CG2-CD1 4.31Å; I24-I26 HydrophobicContact CG2-CG1 3.91Å; I24-Y31 PolarHBondContact N-O 3.13Å; I24-Y31 PolarHBondContact O-N 2.83Å; I24-L33 HydrophobicContact CB-CD1 4.23Å; I24-L33 HydrophobicContact CD1-CD1 3.82Å; I24-L33 HydrophobicContact CG1-CD1 4.1Å; I24-L47 HydrophobicContact CD1-CB 4.38Å; I24-L47 HydrophobicContact CD1-CD2 3.95Å; I24-Q50 HydrophobicContact CD1-CB 3.99Å; I24-Q50 HydrophobicContact CD1-CG 4.26Å; I24-Q50 HydrophobicContact CG2-CG 4.2Å
25V97.7Very high95.9Very high0 Ų054.9 Ų54.90%027%0.268CS..EExtended strand (participates in β ladder)trans-97.5122.5172.2-176.80000110.1V13 K29 V30 D53 Y54 G55 I80V13-V25 HydrophobicContact CB-CG2 4.37Å; V13-V25 HydrophobicContact CG1-CG2 3.82Å; V13-V25 HydrophobicContact CG2-CG2 4.01Å; V25-K29 CarbonylContact C-O 3.47Å; V25-K29 VanDerWaalsContact CA-O 3.24Å; V25-K29 WeakPolarHBondContact CA-O 3.41Å; V25-V30 HydrophobicContact CG2-CG2 4.11Å; V25-D53 PolarHBondContact N-O 3.16Å; V25-Y54 HydrophobicContact CB-CD1 3.75Å; V25-Y54 HydrophobicContact CB-CE1 4Å; V25-Y54 HydrophobicContact CG1-CD1 3.65Å; V25-Y54 HydrophobicContact CG1-CE1 3.63Å; V25-Y54 CarbonylContact O-C 3.57Å; V25-Y54 WeakPolarHBondContact O-CA 3.43Å; V25-G55 PolarHBondContact O-N 3.07Å; V25-I80 HydrophobicContact CG1-CB 4.36Å; V25-I80 HydrophobicContact CG2-CD1 4.13Å
26I96.4Very high95.8Very high8 Ų850.6 Ų50.64%0.04125%0.249CC..EExtended strand (participates in β ladder)trans-129.4122.9177.1-59.3171.3000107.9I24 D28 K29 Y31 F59 M72I24-I26 HydrophobicContact CG2-CD1 4.31Å; I24-I26 HydrophobicContact CG2-CG1 3.91Å; I26-D28 PolarHBondContact O-N 3.21Å; I26-K29 PolarHBondContact N-O 3.44Å; I26-K29 WeakPolarHBondContact O-CB 3.44Å; I26-K29 PolarHBondContact O-N 3.42Å; I26-Y31 HydrophobicContact CB-CD2 4.06Å; I26-Y31 HydrophobicContact CB-CE2 3.76Å; I26-Y31 HydrophobicContact CD1-CD2 4.4Å; I26-Y31 HydrophobicContact CG1-CD2 4.36Å; I26-F59 HydrophobicContact CD1-CB 4.34Å; I26-F59 HydrophobicContact CD1-CD2 3.88Å; I26-F59 HydrophobicContact CD1-CE2 4.42Å; I26-F59 HydrophobicContact CD1-CG 4.12Å; I26-F59 HydrophobicContact CG2-CB 4.37Å; I26-F59 HydrophobicContact CG2-CD1 3.93Å; I26-F59 HydrophobicContact CG2-CE1 4.43Å; I26-F59 HydrophobicContact CG2-CG 4.09Å; I26-M72 HydrophobicContact CB-SD 4.48Å; I26-M72 HydrophobicContact CD1-SD 3.63Å; I26-M72 HydrophobicContact CG2-SD 4.26Å
27H95.2Very high95.7Very high93 Ų9349.1 Ų49.143%0.43124%0.244SC..THydrogen-bonded Turntrans5249.4-178.8-60.1-61.7000113.3K29 T56 E60H27-K29 PolarHBondContact O-N 3Å; H27-K29 VanDerWaalsContact O-N 3.07Å; H27-T56 VanDerWaalsContact CE1-CG2 3.49Å; H27-T56 WeakPolarHBondContact CE1-CG2 3.41Å; H27-T56 PolarHBondContact N-OG1 3.46Å; H27-T56 WeakPolarHBondContact ND1-CG2 3.18Å; H27-E60 IonicContact CD2-OE1 3.89Å; H27-E60 IonicContact CE1-OE1 3.01Å; H27-E60 PolarHBondContact CE1-OE1 2.67Å; H27-E60 IonicContact NE2-OE1 3.95Å; H27-E60 PolarHBondContact NE2-OE1 2.77Å
28D95.2Very high95.6Very high46 Ų4649.5 Ų49.525%0.24625%0.254CS..THydrogen-bonded Turntrans61.28.8-176.9-62-36.8000115.4I26 I80 R85 E86I26-D28 PolarHBondContact O-N 3.21Å; D28-I80 HydrophobicContact CB-CG2 3.85Å; D28-I80 WeakPolarHBondContact O-CG2 3.28Å; D28-I80 PolarHBondContact O-N 3.15Å; D28-R85 HydrophobicContact CB-CG 4.13Å; D28-R85 WeakPolarHBondContact OD1-CA 3.45Å; D28-R85 WeakPolarHBondContact OD1-CB 3.41Å; D28-E86 PolarHBondContact OD1-N 2.65Å; D28-E86 VanDerWaalsContact OD1-N 3.16Å
29K96.5Very high95.6Very high77 Ų7750 Ų5034%0.33526%0.258SS..EExtended strand (participates in β ladder)trans-106.4142.8176.2-64.6177.4-179.6-177.50110.4V25 I26 H27 Y31 Y76V25-K29 CarbonylContact C-O 3.47Å; V25-K29 VanDerWaalsContact CA-O 3.24Å; V25-K29 WeakPolarHBondContact CA-O 3.41Å; I26-K29 PolarHBondContact N-O 3.44Å; I26-K29 WeakPolarHBondContact O-CB 3.44Å; I26-K29 PolarHBondContact O-N 3.42Å; H27-K29 PolarHBondContact O-N 3Å; H27-K29 VanDerWaalsContact O-N 3.07Å; K29-Y31 HydrophobicContact CB-CD2 4.43Å; K29-Y31 HydrophobicContact CB-CE2 3.53Å; K29-Y31 VanDerWaalsContact CD-OH 3.32Å; K29-Y31 WeakPolarHBondContact CD-OH 3.22Å; K29-Y31 WeakPolarHBondContact O-CD2 3.47Å; K29-Y31 WeakPolarHBondContact O-CE2 3.45Å; K29-Y76 HydrophobicContact CB-CD2 3.93Å; K29-Y76 HydrophobicContact CB-CE2 3.76Å; K29-Y76 HydrophobicContact CD-CD2 4.15Å; K29-Y76 HydrophobicContact CD-CE2 3.98Å; K29-Y76 HydrophobicContact CG-CD2 4.28Å; K29-Y76 HydrophobicContact CG-CE2 3.8Å
30V97.5Very high95.8Very high0 Ų047.8 Ų47.80%024%0.241CC..EExtended strand (participates in β ladder)trans-100.5129.8-179.4-170.20000109.3F8 V13 W23 V25 I77 G78 I80F8-V30 HydrophobicContact CB-CG2 4.25Å; F8-V30 HydrophobicContact CD2-CB 4.18Å; F8-V30 HydrophobicContact CD2-CG1 4.42Å; F8-V30 HydrophobicContact CD2-CG2 4.06Å; V13-V30 HydrophobicContact CG2-CG1 3.88Å; V13-V30 HydrophobicContact CG2-CG2 4.05Å; W23-V30 HydrophobicContact CB-CG1 4.46Å; W23-V30 HydrophobicContact CD2-CG1 4.42Å; W23-V30 HydrophobicContact CE3-CG1 3.88Å; V25-V30 HydrophobicContact CG2-CG2 4.11Å; V30-I77 HydrophobicContact CB-CD1 4.47Å; V30-I77 HydrophobicContact CB-CG1 4.07Å; V30-I77 HydrophobicContact CG1-CD1 3.81Å; V30-I77 HydrophobicContact CG1-CG1 3.9Å; V30-I77 VanDerWaalsContact O-CG1 3.3Å; V30-I77 WeakPolarHBondContact O-CG1 3.31Å; V30-I77 PolarHBondContact O-N 2.66Å; V30-G78 PolarHBondContact N-O 2.99Å; V30-I80 HydrophobicContact CG2-CB 4.47Å; V30-I80 HydrophobicContact CG2-CD1 4.47Å
31Y97.7Very high95.8Very high6 Ų648.1 Ų48.12%0.02425%0.25CC..EExtended strand (participates in β ladder)trans-120.9132.5-179.1-61.5-89.7000110.5W23 I24 I26 K29 M72 Y75 Y76W23-Y31 VanDerWaalsContact CA-O 3.25Å; W23-Y31 WeakPolarHBondContact CA-O 3.46Å; I24-Y31 PolarHBondContact N-O 3.13Å; I24-Y31 PolarHBondContact O-N 2.83Å; I26-Y31 HydrophobicContact CB-CD2 4.06Å; I26-Y31 HydrophobicContact CB-CE2 3.76Å; I26-Y31 HydrophobicContact CD1-CD2 4.4Å; I26-Y31 HydrophobicContact CG1-CD2 4.36Å; K29-Y31 HydrophobicContact CB-CD2 4.43Å; K29-Y31 HydrophobicContact CB-CE2 3.53Å; K29-Y31 VanDerWaalsContact CD-OH 3.32Å; K29-Y31 WeakPolarHBondContact CD-OH 3.22Å; K29-Y31 WeakPolarHBondContact O-CD2 3.47Å; K29-Y31 WeakPolarHBondContact O-CE2 3.45Å; Y31-M72 HydrophobicContact CD1-CG 3.76Å; Y31-M72 VanDerWaalsContact CD1-O 3.26Å; Y31-M72 WeakPolarHBondContact CD1-O 3.49Å; Y31-M72 HydrophobicContact CE1-CE 4.22Å; Y31-M72 HydrophobicContact CE1-CG 3.63Å; Y31-M72 WeakPolarHBondContact CE1-O 3.29Å; Y31-M72 HydrophobicContact CE1-SD 4.23Å; Y31-M72 HydrophobicContact CE2-CE 4.45Å; Y31-M72 HydrophobicContact CE2-SD 4.27Å; Y31-M72 HydrophobicContact CG-CG 4.3Å; Y31-Y75 CarbonylContact C-O 3.58Å; Y31-Y75 VanDerWaalsContact CA-O 3.29Å; Y31-Y75 WeakPolarHBondContact CA-O 3.25Å; Y31-Y76 HydrophobicContact CE1-CD2 4.25Å
32D97.4Very high95.6Very high50 Ų5048.1 Ų48.127%0.26726%0.262SS..EExtended strand (participates in β ladder)trans-93.3100.3171178.81.6000109.4T34 Y75 I77D32-T34 WeakPolarHBondContact OD1-CB 3.45Å; D32-T34 PolarHBondContact OD1-N 3.17Å; D32-T34 VanDerWaalsContact OD1-N 3.09Å; D32-T34 PolarHBondContact OD1-OG1 3.29Å; D32-Y75 PolarHBondContact N-O 2.8Å; D32-Y75 WeakPolarHBondContact O-CB 3.03Å; D32-Y75 WeakPolarHBondContact O-CD1 3.28Å; D32-I77 HydrophobicContact CB-CD1 4.27Å; D32-I77 HydrophobicContact CB-CG2 3.73Å
33L96.5Very high95.5Very high7 Ų749.6 Ų49.64%0.03728%0.277CS..  trans-9810.4-176.1-59.3178.6000112.4L22 I24 K35 F36 A37 L47 Y75L22-L33 HydrophobicContact CD2-CB 3.84Å; L22-L33 HydrophobicContact CD2-CD1 4.39Å; L22-L33 PolarHBondContact O-N 3.1Å; I24-L33 HydrophobicContact CB-CD1 4.23Å; I24-L33 HydrophobicContact CD1-CD1 3.82Å; I24-L33 HydrophobicContact CG1-CD1 4.1Å; L33-K35 PolarHBondContact O-N 3.46Å; L33-K35 VanDerWaalsContact O-N 3.16Å; L33-F36 HydrophobicContact CB-CB 4.39Å; L33-F36 HydrophobicContact CD2-CB 4.27Å; L33-F36 HydrophobicContact CD2-CD1 4.13Å; L33-F36 CarbonylContact O-C 3.49Å; L33-F36 PolarHBondContact O-N 3.46Å; L33-A37 PolarHBondContact O-N 3.36Å; L33-L47 HydrophobicContact CD1-CD2 4.02Å; L33-Y75 HydrophobicContact CD2-CD2 4.34Å; L33-Y75 HydrophobicContact CD2-CG 4.04Å
34T95.7Very high95.3Very high38 Ų3853 Ų5323%0.23329%0.294CS..THydrogen-bonded Turntrans-52-42.3-178.6-55.60000112.4D20 L22 D32D20-T34 VanDerWaalsContact C-CG2 3.4Å; D20-T34 WeakPolarHBondContact O-CG2 3.32Å; L22-T34 PolarHBondContact N-OG1 3.14Å; L22-T34 PolarHBondContact O-N 3.42Å; D32-T34 WeakPolarHBondContact OD1-CB 3.45Å; D32-T34 PolarHBondContact OD1-N 3.17Å; D32-T34 VanDerWaalsContact OD1-N 3.09Å; D32-T34 PolarHBondContact OD1-OG1 3.29Å
35K94Very high95.1Very high173 Ų17356.4 Ų56.475%0.75232%0.315SS*.THydrogen-bonded Turntrans-82.6-24.2178.4-62.8-175.7-176.5176.30113.4L33L33-K35 PolarHBondContact O-N 3.46Å; L33-K35 VanDerWaalsContact O-N 3.16Å
36F95.1Very high95Very high39 Ų3959.9 Ų59.917%0.17134%0.337CS..THydrogen-bonded Turntrans-84.3-21.1-177.6-173.9-114.9000112.5L33 S38 E39 H40 L47 V71 Y75L33-F36 HydrophobicContact CB-CB 4.39Å; L33-F36 HydrophobicContact CD2-CB 4.27Å; L33-F36 HydrophobicContact CD2-CD1 4.13Å; L33-F36 CarbonylContact O-C 3.49Å; L33-F36 PolarHBondContact O-N 3.46Å; F36-S38 PolarHBondContact O-N 3.02Å; F36-S38 VanDerWaalsContact O-N 3.13Å; F36-E39 HydrophobicContact CD2-CB 4.09Å; F36-E39 HydrophobicContact CE2-CB 4.29Å; F36-E39 CarbonylContact O-C 3.52Å; F36-E39 WeakPolarHBondContact O-CA 2.95Å; F36-E39 PolarHBondContact O-N 2.79Å; F36-H40 HydrophobicContact CD1-CB 4.25Å; F36-H40 HydrophobicContact CE1-CB 3.91Å; F36-H40 AromaticContact CE1-CD2 3.69Å; F36-H40 HydrophobicContact CZ-CB 4.38Å; F36-H40 PolarHBondContact O-N 2.7Å; F36-L47 HydrophobicContact CD1-CD1 4.33Å; F36-V71 HydrophobicContact CE2-CG1 4.16Å; F36-Y75 HydrophobicContact CB-CD1 4.16Å; F36-Y75 HydrophobicContact CB-CD2 4.45Å; F36-Y75 HydrophobicContact CB-CE1 3.7Å; F36-Y75 HydrophobicContact CB-CE2 4.02Å; F36-Y75 AromaticContact CD2-CE2 3.74Å; F36-Y75 HydrophobicContact CD2-CE2 3.74Å; F36-Y75 AromaticContact CD2-CZ 3.7Å; F36-Y75 WeakPolarHBondContact CD2-OH 3.3Å; F36-Y75 HydrophobicContact CE2-CE2 4.45Å; F36-Y75 HydrophobicContact CG-CE1 4.48Å; F36-Y75 AromaticContact CG-CE2 3.95Å; F36-Y75 HydrophobicContact CG-CE2 3.95Å; F36-Y75 AromaticContact CG-CZ 3.93Å
37A94Very high94.9Very high7 Ų760.5 Ų60.56%0.05834%0.34CS..THydrogen-bonded Turntrans-51.5-42.2-173.800000113.2L33 E44 L47L33-A37 PolarHBondContact O-N 3.36Å; A37-E44 HydrophobicContact CB-CB 4.43Å; A37-E44 WeakPolarHBondContact O-CB 3.35Å; A37-L47 HydrophobicContact CB-CD1 4.47Å
38S93Very high94.9Very high99 Ų9959.3 Ų59.369%0.69233%0.334SS*.THydrogen-bonded Turntrans-78.5-18.5178.457.50000114.5F36F36-S38 PolarHBondContact O-N 3.02Å; F36-S38 VanDerWaalsContact O-N 3.13Å
39E94.1Very high94.9Very high129 Ų12964.5 Ų64.560%0.60336%0.357SS*.THydrogen-bonded Turntrans-94.9-8.9177.8-61.5-168.9139.900112.3F36 P41F36-E39 HydrophobicContact CD2-CB 4.09Å; F36-E39 HydrophobicContact CE2-CB 4.29Å; F36-E39 CarbonylContact O-C 3.52Å; F36-E39 WeakPolarHBondContact O-CA 2.95Å; F36-E39 PolarHBondContact O-N 2.79Å; E39-P41 VanDerWaalsContact O-CD 3.24Å; E39-P41 WeakPolarHBondContact O-CD 3.39Å
40H94.5Very high94.9Very high27 Ų2763 Ų6313%0.12535%0.352CS..  trans-66.2117.5-176.9-177.7-132.3000111.6F36 G42 G43 V46 L47F36-H40 HydrophobicContact CD1-CB 4.25Å; F36-H40 HydrophobicContact CE1-CB 3.91Å; F36-H40 AromaticContact CE1-CD2 3.69Å; F36-H40 HydrophobicContact CZ-CB 4.38Å; F36-H40 PolarHBondContact O-N 2.7Å; H40-G42 PolarHBondContact O-N 2.65Å; H40-G42 VanDerWaalsContact O-N 3.12Å; H40-G43 PolarHBondContact ND1-O 2.74Å; H40-G43 PolarHBondContact O-N 2.71Å; H40-V46 VanDerWaalsContact CE1-CG2 3.46Å; H40-V46 WeakPolarHBondContact CE1-CG2 3.46Å; H40-L47 HydrophobicContact CB-CD1 3.66Å
41P93.7Very high94.8Very high127 Ų12763.8 Ų63.883%0.82536%0.358SS*.THydrogen-bonded Turntrans-62.4-23.3-177.8-25.135.6000114.5E39 G43E39-P41 VanDerWaalsContact O-CD 3.24Å; E39-P41 WeakPolarHBondContact O-CD 3.39Å; P41-G43 VanDerWaalsContact C-N 3.28Å
42G92Very high94.8Very high52 Ų5263.6 Ų63.654%0.53636%0.358SS..THydrogen-bonded Turntrans-81.3-1.6174.100000114.6H40H40-G42 PolarHBondContact O-N 2.65Å; H40-G42 VanDerWaalsContact O-N 3.12Å
43G93.3Very high94.7Very high31 Ų3164.5 Ų64.532%0.3236%0.363SS..  trans88.7157.2-175.700000113.7H40 P41 V46H40-G43 PolarHBondContact ND1-O 2.74Å; H40-G43 PolarHBondContact O-N 2.71Å; P41-G43 VanDerWaalsContact C-N 3.28Å; G43-V46 WeakPolarHBondContact O-CG2 3.43Å
44E93.7Very high94.7Very high99 Ų9965.8 Ų65.846%0.46337%0.367SS..Hα-helixtrans-68.6-34.8-179.365.9-169.4-178.900112.6A37 V46 L47 E48A37-E44 HydrophobicContact CB-CB 4.43Å; A37-E44 WeakPolarHBondContact O-CB 3.35Å; E44-V46 VanDerWaalsContact C-N 3.27Å; E44-V46 PolarHBondContact O-N 2.78Å; E44-V46 VanDerWaalsContact O-N 3.16Å; E44-L47 WeakPolarHBondContact O-CB 3.24Å; E44-L47 PolarHBondContact O-N 2.67Å; E44-E48 PolarHBondContact O-N 2.65Å
45T93.8Very high94.7Very high76 Ų7664.1 Ų64.147%0.46636%0.358SS..Hα-helixtrans-58.6-35.3-173-52.40000113.4L47 E48 Q49T45-L47 VanDerWaalsContact C-N 3.33Å; T45-E48 PolarHBondContact O-N 3.47Å; T45-Q49 VanDerWaalsContact O-CG 3.29Å; T45-Q49 WeakPolarHBondContact O-CG 3.49Å; T45-Q49 PolarHBondContact O-N 3.11Å; T45-Q49 VanDerWaalsContact O-N 3.09Å
46V94.5Very high94.8Very high74 Ų7456.8 Ų56.845%0.44833%0.327SS..Hα-helixtrans-72.7-28.8179-62.20000112.2H40 G43 E44H40-V46 VanDerWaalsContact CE1-CG2 3.46Å; H40-V46 WeakPolarHBondContact CE1-CG2 3.46Å; G43-V46 WeakPolarHBondContact O-CG2 3.43Å; E44-V46 VanDerWaalsContact C-N 3.27Å; E44-V46 PolarHBondContact O-N 2.78Å; E44-V46 VanDerWaalsContact O-N 3.16Å
47L95.9Very high94.8Very high20 Ų2062.6 Ų62.611%0.10536%0.355CS..Hα-helixtrans-74.9-41.4173.4-62.4176000110.4L22 I24 L33 F36 A37 H40 E44 T45 Q49 Q50 A51L22-L47 HydrophobicContact CD1-CB 4.04Å; L22-L47 HydrophobicContact CD2-CB 4.11Å; I24-L47 HydrophobicContact CD1-CB 4.38Å; I24-L47 HydrophobicContact CD1-CD2 3.95Å; L33-L47 HydrophobicContact CD1-CD2 4.02Å; F36-L47 HydrophobicContact CD1-CD1 4.33Å; A37-L47 HydrophobicContact CB-CD1 4.47Å; H40-L47 HydrophobicContact CB-CD1 3.66Å; E44-L47 WeakPolarHBondContact O-CB 3.24Å; E44-L47 PolarHBondContact O-N 2.67Å; T45-L47 VanDerWaalsContact C-N 3.33Å; L47-Q49 VanDerWaalsContact C-N 3.31Å; L47-Q49 PolarHBondContact O-N 2.88Å; L47-Q50 CarbonylContact O-C 2.89Å; L47-Q50 PolarHBondContact O-N 2.86Å; L47-Q50 VanDerWaalsContact O-N 3.08Å; L47-A51 PolarHBondContact O-N 3.16Å
48E95.3Very high94.8Very high68 Ų6864.9 Ų64.932%0.31837%0.369SS..Hα-helixtrans-60.1-39.6177.3-69.5174.5176.600112.5P19 L22 E44 T45 Q50 A51P19-E48 HydrophobicContact CB-CG 4.46Å; L22-E48 HydrophobicContact CD1-CG 4.08Å; E44-E48 PolarHBondContact O-N 2.65Å; T45-E48 PolarHBondContact O-N 3.47Å; E48-Q50 PolarHBondContact O-N 3.08Å; E48-A51 VanDerWaalsContact O-CB 3.27Å; E48-A51 WeakPolarHBondContact O-CB 3.45Å; E48-A51 PolarHBondContact O-N 3.06Å
49Q94.7Very high94.9Very high155 Ų15561.2 Ų61.272%0.72434%0.341SS*.Hα-helixtrans-63.2-27.2176.7-75.3174.110.700113.1T45 L47T45-Q49 VanDerWaalsContact O-CG 3.29Å; T45-Q49 WeakPolarHBondContact O-CG 3.49Å; T45-Q49 PolarHBondContact O-N 3.11Å; T45-Q49 VanDerWaalsContact O-N 3.09Å; L47-Q49 VanDerWaalsContact C-N 3.31Å; L47-Q49 PolarHBondContact O-N 2.88Å
50Q95.9Very high95Very high47 Ų4758.9 Ų58.922%0.2233%0.33CS..THydrogen-bonded Turntrans-102.62.5-178.6-1625661.900112.7I24 L47 E48 G52 D53 Y54 P58I24-Q50 HydrophobicContact CD1-CB 3.99Å; I24-Q50 HydrophobicContact CD1-CG 4.26Å; I24-Q50 HydrophobicContact CG2-CG 4.2Å; L47-Q50 CarbonylContact O-C 2.89Å; L47-Q50 PolarHBondContact O-N 2.86Å; L47-Q50 VanDerWaalsContact O-N 3.08Å; E48-Q50 PolarHBondContact O-N 3.08Å; Q50-G52 PolarHBondContact O-N 3.3Å; Q50-D53 PolarHBondContact O-N 2.84Å; Q50-Y54 VanDerWaalsContact NE2-C 3.26Å; Q50-Y54 PolarHBondContact NE2-O 3.38Å; Q50-P58 HydrophobicContact CG-CG 4.28Å
51A96.2Very high95Very high16 Ų1664.4 Ų64.413%0.13236%0.36CS..THydrogen-bonded Turntrans-64.3132.5-174.600000111.8N17 L22 L47 E48 D53N17-A51 HydrophobicContact CB-CB 4.36Å; L22-A51 HydrophobicContact CD1-CB 4.1Å; L22-A51 HydrophobicContact CD2-CB 4.37Å; L22-A51 HydrophobicContact CG-CB 3.73Å; L47-A51 PolarHBondContact O-N 3.16Å; E48-A51 VanDerWaalsContact O-CB 3.27Å; E48-A51 WeakPolarHBondContact O-CB 3.45Å; E48-A51 PolarHBondContact O-N 3.06Å; A51-D53 VanDerWaalsContact C-N 3.33Å
52G96.6Very high95.1Very high2 Ų263.1 Ų63.12%0.02135%0.35CS..THydrogen-bonded Turntrans77.112.4-178.500000114.7V13 R14 H16 W23 Q50V13-G52 WeakPolarHBondContact O-CA 3.31Å; R14-G52 WeakPolarHBondContact CA-O 3.41Å; R14-G52 WeakPolarHBondContact CG-O 3.48Å; H16-G52 PolarHBondContact O-N 2.96Å; W23-G52 WeakPolarHBondContact O-CA 3.39Å; W23-G52 PolarHBondContact O-N 3Å; Q50-G52 PolarHBondContact O-N 3.3Å
53D96.2Very high95.2Very high69 Ų6963.1 Ų63.137%0.36935%0.35SS..SBendtrans-140.9-177-175.2-153.6-6.4000112.8V25 Q50 A51 G55V25-D53 PolarHBondContact N-O 3.16Å; Q50-D53 PolarHBondContact O-N 2.84Å; A51-D53 VanDerWaalsContact C-N 3.33Å; D53-G55 PolarHBondContact O-N 2.92Å
54Y96.2Very high95.3Very high34 Ų3464 Ų6413%0.13335%0.345CS..BIsolated β-bridgetrans-75.7109.1-179.9-66.2-74.1000112.8L10 V25 Q50 D84 E86L10-Y54 HydrophobicContact CD1-CD2 4.37Å; L10-Y54 HydrophobicContact CD1-CE2 3.66Å; L10-Y54 HydrophobicContact CD2-CE2 3.87Å; L10-Y54 HydrophobicContact CG-CE2 4.4Å; V25-Y54 HydrophobicContact CB-CD1 3.75Å; V25-Y54 HydrophobicContact CB-CE1 4Å; V25-Y54 HydrophobicContact CG1-CD1 3.65Å; V25-Y54 HydrophobicContact CG1-CE1 3.63Å; V25-Y54 CarbonylContact O-C 3.57Å; V25-Y54 WeakPolarHBondContact O-CA 3.43Å; Q50-Y54 VanDerWaalsContact NE2-C 3.26Å; Q50-Y54 PolarHBondContact NE2-O 3.38Å; Y54-D84 PolarHBondContact OH-O 3.05Å; Y54-E86 HydrophobicContact CD1-CG 3.53Å; Y54-E86 HydrophobicContact CD2-CG 4.23Å; Y54-E86 HydrophobicContact CE1-CG 3.64Å; Y54-E86 HydrophobicContact CE2-CG 4.3Å; Y54-E86 HydrophobicContact CG-CG 3.85Å
55G95.4Very high95.4Very high3 Ų362.4 Ų62.43%0.03135%0.345CS..  trans-92.35.2174.500000114.8V25 D53 E57 P58 F59V25-G55 PolarHBondContact O-N 3.07Å; D53-G55 PolarHBondContact O-N 2.92Å; G55-E57 PolarHBondContact O-N 3.38Å; G55-P58 WeakPolarHBondContact O-CD 3.34Å; G55-P58 WeakPolarHBondContact O-CG 3.38Å; G55-F59 WeakPolarHBondContact O-CB 3.4Å; G55-F59 PolarHBondContact O-N 3.03Å
56T96Very high95.5Very high18 Ų1862.9 Ų62.911%0.1135%0.352CS..Hα-helixtrans-57-48.5-176.5-500000112.5H27 E60 E86H27-T56 VanDerWaalsContact CE1-CG2 3.49Å; H27-T56 WeakPolarHBondContact CE1-CG2 3.41Å; H27-T56 PolarHBondContact N-OG1 3.46Å; H27-T56 WeakPolarHBondContact ND1-CG2 3.18Å; T56-E60 WeakPolarHBondContact O-CB 3.48Å; T56-E60 WeakPolarHBondContact O-CG 3.4Å; T56-E60 PolarHBondContact O-N 2.89Å; T56-E60 VanDerWaalsContact O-N 3.09Å; T56-E86 PolarHBondContact OG1-OE2 3.15Å
57E94.9Very high95.6Very high162 Ų16264.4 Ų64.476%0.75736%0.358SS*.Hα-helixtrans-62.8-56.5-179.4-176.9179.1-17700112.7G55 F59 E60 D61G55-E57 PolarHBondContact O-N 3.38Å; E57-F59 VanDerWaalsContact C-N 3.27Å; E57-F59 PolarHBondContact O-N 3.12Å; E57-E60 PolarHBondContact O-N 3.33Å; E57-D61 WeakPolarHBondContact O-CB 3.49Å; E57-D61 PolarHBondContact O-N 3.07Å
58P94.6Very high95.5Very high54 Ų5465 Ų6535%0.35137%0.366SS..Hα-helixtrans-63.9-32.7179.323.9-33.9000112.6Q50 G55 V62Q50-P58 HydrophobicContact CG-CG 4.28Å; G55-P58 WeakPolarHBondContact O-CD 3.34Å; G55-P58 WeakPolarHBondContact O-CG 3.38Å; P58-V62 VanDerWaalsContact O-CG2 3.28Å; P58-V62 WeakPolarHBondContact O-CG2 3.47Å; P58-V62 PolarHBondContact O-N 2.92Å; P58-V62 VanDerWaalsContact O-N 3.16Å
59F95.5Very high95.6Very high23 Ų2365.6 Ų65.610%0.10137%0.365CS..Hα-helixtrans-64-42.6177.6-178.5-94.3000112.6I26 G55 E57 H64 R69 M72I26-F59 HydrophobicContact CD1-CB 4.34Å; I26-F59 HydrophobicContact CD1-CD2 3.88Å; I26-F59 HydrophobicContact CD1-CE2 4.42Å; I26-F59 HydrophobicContact CD1-CG 4.12Å; I26-F59 HydrophobicContact CG2-CB 4.37Å; I26-F59 HydrophobicContact CG2-CD1 3.93Å; I26-F59 HydrophobicContact CG2-CE1 4.43Å; I26-F59 HydrophobicContact CG2-CG 4.09Å; G55-F59 WeakPolarHBondContact O-CB 3.4Å; G55-F59 PolarHBondContact O-N 3.03Å; E57-F59 VanDerWaalsContact C-N 3.27Å; E57-F59 PolarHBondContact O-N 3.12Å; F59-H64 AromaticContact CD2-CE1 3.68Å; F59-H64 AromaticContact CD2-ND1 3.43Å; F59-H64 WeakPolarHBondContact CD2-ND1 3.35Å; F59-H64 HydrophobicContact CE2-CB 4.09Å; F59-H64 AromaticContact CE2-CE1 3.92Å; F59-H64 AromaticContact CE2-CG 3.67Å; F59-H64 AromaticContact CE2-ND1 3.46Å; F59-H64 WeakPolarHBondContact CE2-ND1 3.14Å; F59-H64 AromaticContact CG-ND1 3.96Å; F59-H64 HydrophobicContact CZ-CB 3.91Å; F59-H64 PolarHBondContact O-ND1 3.25Å; F59-H64 VanDerWaalsContact O-ND1 3.11Å; F59-R69 HydrophobicContact CE1-CG 4.07Å; F59-R69 HydrophobicContact CZ-CG 3.81Å; F59-M72 HydrophobicContact CD2-SD 4.42Å; F59-M72 HydrophobicContact CE1-CE 4.46Å; F59-M72 HydrophobicContact CE1-SD 4.4Å; F59-M72 HydrophobicContact CE2-SD 3.75Å; F59-M72 HydrophobicContact CZ-CE 4.1Å; F59-M72 HydrophobicContact CZ-SD 3.73Å
60E95.7Very high95.6Very high79 Ų7964.4 Ų64.437%0.36936%0.359SS..Hα-helixtrans-76.7-33.9178.8-69.1-61.4134.500112.4H27 T56 E57 G63 R69H27-E60 IonicContact CD2-OE1 3.89Å; H27-E60 IonicContact CE1-OE1 3.01Å; H27-E60 PolarHBondContact CE1-OE1 2.67Å; H27-E60 IonicContact NE2-OE1 3.95Å; H27-E60 PolarHBondContact NE2-OE1 2.77Å; T56-E60 WeakPolarHBondContact O-CB 3.48Å; T56-E60 WeakPolarHBondContact O-CG 3.4Å; T56-E60 PolarHBondContact O-N 2.89Å; T56-E60 VanDerWaalsContact O-N 3.09Å; E57-E60 PolarHBondContact O-N 3.33Å; E60-G63 PolarHBondContact O-N 2.78Å; E60-R69 IonicContact OE1-CZ 3.77Å; E60-R69 IonicContact OE1-NE 2.77Å; E60-R69 IonicContact OE1-NH2 3.9Å; E60-R69 PolarHBondContact OE1-NH2 3.14Å; E60-R69 IonicContact OE2-NH2 3.43Å; E60-R69 PolarHBondContact OE2-NH2 3.39Å; E60-R69 VanDerWaalsContact OE2-NH2 3.13Å
61D95.6Very high95.6Very high144 Ų14464.9 Ų64.977%0.7737%0.365SS*.Hα-helixtrans-63.7-40176.5-17156.5000112.3E57 G63E57-D61 WeakPolarHBondContact O-CB 3.49Å; E57-D61 PolarHBondContact O-N 3.07Å; D61-G63 VanDerWaalsContact C-N 3.27Å; D61-G63 PolarHBondContact O-N 2.97Å
62V94.7Very high95.5Very high99 Ų9965.2 Ų65.260%0.636%0.364SS*.Hα-helixtrans-66.7-29.3175.9171.60000112.2P58P58-V62 VanDerWaalsContact O-CG2 3.28Å; P58-V62 WeakPolarHBondContact O-CG2 3.47Å; P58-V62 PolarHBondContact O-N 2.92Å; P58-V62 VanDerWaalsContact O-N 3.16Å
63G94.8Very high95.4Very high52 Ų5271 Ų7154%0.53639%0.391SS..THydrogen-bonded Turntrans70.350.717800000114E60 D61E60-G63 PolarHBondContact O-N 2.78Å; D61-G63 VanDerWaalsContact C-N 3.27Å; D61-G63 PolarHBondContact O-N 2.97Å
64H95.1Very high95.4Very high49 Ų4974.8 Ų74.823%0.22741%0.406CS..  trans-51.6149.1176.4-70.488.3000113.2F59 A68 R69F59-H64 AromaticContact CD2-CE1 3.68Å; F59-H64 AromaticContact CD2-ND1 3.43Å; F59-H64 WeakPolarHBondContact CD2-ND1 3.35Å; F59-H64 HydrophobicContact CE2-CB 4.09Å; F59-H64 AromaticContact CE2-CE1 3.92Å; F59-H64 AromaticContact CE2-CG 3.67Å; F59-H64 AromaticContact CE2-ND1 3.46Å; F59-H64 WeakPolarHBondContact CE2-ND1 3.14Å; F59-H64 AromaticContact CG-ND1 3.96Å; F59-H64 HydrophobicContact CZ-CB 3.91Å; F59-H64 PolarHBondContact O-ND1 3.25Å; F59-H64 VanDerWaalsContact O-ND1 3.11Å; H64-A68 HydrophobicContact CB-CB 4.05Å; H64-R69 PolarHBondContact O-NH1 2.95Å
65S96.4Very high95.4Very high66 Ų6675 Ų7546%0.46241%0.407SS..  trans-69.5168.3177.664.70000112.6D67 A68 R69S65-D67 VanDerWaalsContact C-N 3.29Å; S65-D67 PolarHBondContact O-N 2.99Å; S65-A68 PolarHBondContact O-N 3.45Å; S65-A68 WeakPolarHBondContact OG-CB 3.46Å; S65-A68 PolarHBondContact OG-N 2.76Å; S65-R69 PolarHBondContact O-N 3.13Å; S65-R69 VanDerWaalsContact O-N 3.15Å
66S95.8Very high95.4Very high87 Ų8778.5 Ų78.561%0.60842%0.42SS*.Hα-helixtrans-59.1-42.4171.948.50000111.8A68 R69 E70S66-A68 VanDerWaalsContact C-N 3.32Å; S66-A68 PolarHBondContact O-N 3.43Å; S66-R69 WeakPolarHBondContact O-CB 3.45Å; S66-R69 PolarHBondContact O-N 3.01Å; S66-R69 VanDerWaalsContact O-N 3.15Å; S66-E70 PolarHBondContact O-N 3.41Å
67D95.5Very high95.5Very high106 Ų10679.9 Ų79.957%0.56743%0.426SS*.Hα-helixtrans-64.8-38.9-179.7-52.8-32000111S65 R69 E70 V71S65-D67 VanDerWaalsContact C-N 3.29Å; S65-D67 PolarHBondContact O-N 2.99Å; D67-R69 VanDerWaalsContact C-N 3.32Å; D67-R69 PolarHBondContact O-N 2.84Å; D67-E70 PolarHBondContact O-N 3.09Å; D67-V71 WeakPolarHBondContact O-CG2 3.49Å; D67-V71 PolarHBondContact O-N 2.94Å
68A95.2Very high95.6Very high33 Ų3372.1 Ų72.127%0.27339%0.39SS..Hα-helixtrans-64-37.7175.400000112H64 S65 S66 V71 M72H64-A68 HydrophobicContact CB-CB 4.05Å; S65-A68 PolarHBondContact O-N 3.45Å; S65-A68 WeakPolarHBondContact OG-CB 3.46Å; S65-A68 PolarHBondContact OG-N 2.76Å; S66-A68 VanDerWaalsContact C-N 3.32Å; S66-A68 PolarHBondContact O-N 3.43Å; A68-V71 PolarHBondContact O-N 3.36Å; A68-M72 WeakPolarHBondContact O-CB 3.3Å; A68-M72 PolarHBondContact O-N 3.27Å
69R95.8Very high95.6Very high79 Ų7972.3 Ų72.330%0.29839%0.386SS..Hα-helixtrans-65.8-37.9173.5-74.7-176.9173.592.2-0.4111.9F59 E60 H64 S65 S66 D67 M72 E73F59-R69 HydrophobicContact CE1-CG 4.07Å; F59-R69 HydrophobicContact CZ-CG 3.81Å; E60-R69 IonicContact OE1-CZ 3.77Å; E60-R69 IonicContact OE1-NE 2.77Å; E60-R69 IonicContact OE1-NH2 3.9Å; E60-R69 PolarHBondContact OE1-NH2 3.14Å; E60-R69 IonicContact OE2-NH2 3.43Å; E60-R69 PolarHBondContact OE2-NH2 3.39Å; E60-R69 VanDerWaalsContact OE2-NH2 3.13Å; H64-R69 PolarHBondContact O-NH1 2.95Å; S65-R69 PolarHBondContact O-N 3.13Å; S65-R69 VanDerWaalsContact O-N 3.15Å; S66-R69 WeakPolarHBondContact O-CB 3.45Å; S66-R69 PolarHBondContact O-N 3.01Å; S66-R69 VanDerWaalsContact O-N 3.15Å; D67-R69 VanDerWaalsContact C-N 3.32Å; D67-R69 PolarHBondContact O-N 2.84Å; R69-M72 WeakPolarHBondContact O-CB 3.4Å; R69-M72 PolarHBondContact O-N 3.32Å; R69-E73 WeakPolarHBondContact O-CG 3.26Å; R69-E73 PolarHBondContact O-N 3.07Å
70E95.9Very high95.7Very high131 Ų13171.2 Ų71.261%0.61238%0.381SS*.Hα-helixtrans-66.6-40.9176.6-170.6172.3-169.700111.9S66 D67 M72 E73S66-E70 PolarHBondContact O-N 3.41Å; D67-E70 PolarHBondContact O-N 3.09Å; E70-M72 VanDerWaalsContact C-N 3.34Å; E70-M72 PolarHBondContact O-N 2.96Å; E70-E73 WeakPolarHBondContact O-CB 3.44Å; E70-E73 PolarHBondContact O-N 2.75Å
71V94.6Very high95.7Very high56 Ų5668 Ų6834%0.33937%0.368SS..Hα-helixtrans-62.2-42.4172.9172.60000111F36 D67 A68 E73 Q74 Y75F36-V71 HydrophobicContact CE2-CG1 4.16Å; D67-V71 WeakPolarHBondContact O-CG2 3.49Å; D67-V71 PolarHBondContact O-N 2.94Å; A68-V71 PolarHBondContact O-N 3.36Å; V71-E73 PolarHBondContact O-N 2.96Å; V71-Q74 VanDerWaalsContact O-CB 3.28Å; V71-Q74 WeakPolarHBondContact O-CB 3.46Å; V71-Q74 WeakPolarHBondContact O-CG 3.43Å; V71-Q74 PolarHBondContact O-N 3.13Å; V71-Y75 HydrophobicContact CG1-CE2 3.97Å; V71-Y75 WeakPolarHBondContact O-CD2 3.47Å
72M94.9Very high95.5Very high24 Ų2465.8 Ų65.812%0.11836%0.362CS..Hα-helixtrans-57.1-35.9177.1-177.7-17265.700112.3I26 Y31 F59 A68 R69 E70 Q74 Y75I26-M72 HydrophobicContact CB-SD 4.48Å; I26-M72 HydrophobicContact CD1-SD 3.63Å; I26-M72 HydrophobicContact CG2-SD 4.26Å; Y31-M72 HydrophobicContact CD1-CG 3.76Å; Y31-M72 VanDerWaalsContact CD1-O 3.26Å; Y31-M72 WeakPolarHBondContact CD1-O 3.49Å; Y31-M72 HydrophobicContact CE1-CE 4.22Å; Y31-M72 HydrophobicContact CE1-CG 3.63Å; Y31-M72 WeakPolarHBondContact CE1-O 3.29Å; Y31-M72 HydrophobicContact CE1-SD 4.23Å; Y31-M72 HydrophobicContact CE2-CE 4.45Å; Y31-M72 HydrophobicContact CE2-SD 4.27Å; Y31-M72 HydrophobicContact CG-CG 4.3Å; F59-M72 HydrophobicContact CD2-SD 4.42Å; F59-M72 HydrophobicContact CE1-CE 4.46Å; F59-M72 HydrophobicContact CE1-SD 4.4Å; F59-M72 HydrophobicContact CE2-SD 3.75Å; F59-M72 HydrophobicContact CZ-CE 4.1Å; F59-M72 HydrophobicContact CZ-SD 3.73Å; A68-M72 WeakPolarHBondContact O-CB 3.3Å; A68-M72 PolarHBondContact O-N 3.27Å; R69-M72 WeakPolarHBondContact O-CB 3.4Å; R69-M72 PolarHBondContact O-N 3.32Å; E70-M72 VanDerWaalsContact C-N 3.34Å; E70-M72 PolarHBondContact O-N 2.96Å; M72-Q74 PolarHBondContact O-N 3.03Å; M72-Q74 VanDerWaalsContact O-N 3.15Å; M72-Y75 PolarHBondContact O-N 3.25Å
73E95.2Very high95.4Very high122 Ų12264.9 Ų64.957%0.5736%0.364SS*.Hα-helixtrans-60.3-24.5178.1-66.7-170.2173.100113.4R69 E70 V71 Y75 Y76R69-E73 WeakPolarHBondContact O-CG 3.26Å; R69-E73 PolarHBondContact O-N 3.07Å; E70-E73 WeakPolarHBondContact O-CB 3.44Å; E70-E73 PolarHBondContact O-N 2.75Å; V71-E73 PolarHBondContact O-N 2.96Å; E73-Y75 PolarHBondContact O-N 3.11Å; E73-Y76 VanDerWaalsContact O-CB 3.3Å; E73-Y76 WeakPolarHBondContact O-CB 3.33Å; E73-Y76 PolarHBondContact O-N 3.31Å
74Q95.4Very high95.3Very high149 Ų14965 Ų6570%0.69635%0.353SS*.THydrogen-bonded Turntrans-68-23.7177.1-56.8-176.7-34.800113V71 M72V71-Q74 VanDerWaalsContact O-CB 3.28Å; V71-Q74 WeakPolarHBondContact O-CB 3.46Å; V71-Q74 WeakPolarHBondContact O-CG 3.43Å; V71-Q74 PolarHBondContact O-N 3.13Å; M72-Q74 PolarHBondContact O-N 3.03Å; M72-Q74 VanDerWaalsContact O-N 3.15Å
75Y96.2Very high95.1Very high39 Ų3966.8 Ų66.815%0.15336%0.358CS..THydrogen-bonded Turntrans-97.24.8-178.7-59.5-80.3000112.7Y31 D32 L33 F36 V71 M72 E73 I77Y31-Y75 CarbonylContact C-O 3.58Å; Y31-Y75 VanDerWaalsContact CA-O 3.29Å; Y31-Y75 WeakPolarHBondContact CA-O 3.25Å; D32-Y75 PolarHBondContact N-O 2.8Å; D32-Y75 WeakPolarHBondContact O-CB 3.03Å; D32-Y75 WeakPolarHBondContact O-CD1 3.28Å; L33-Y75 HydrophobicContact CD2-CD2 4.34Å; L33-Y75 HydrophobicContact CD2-CG 4.04Å; F36-Y75 HydrophobicContact CB-CD1 4.16Å; F36-Y75 HydrophobicContact CB-CD2 4.45Å; F36-Y75 HydrophobicContact CB-CE1 3.7Å; F36-Y75 HydrophobicContact CB-CE2 4.02Å; F36-Y75 AromaticContact CD2-CE2 3.74Å; F36-Y75 HydrophobicContact CD2-CE2 3.74Å; F36-Y75 AromaticContact CD2-CZ 3.7Å; F36-Y75 WeakPolarHBondContact CD2-OH 3.3Å; F36-Y75 HydrophobicContact CE2-CE2 4.45Å; F36-Y75 HydrophobicContact CG-CE1 4.48Å; F36-Y75 AromaticContact CG-CE2 3.95Å; F36-Y75 HydrophobicContact CG-CE2 3.95Å; F36-Y75 AromaticContact CG-CZ 3.93Å; V71-Y75 HydrophobicContact CG1-CE2 3.97Å; V71-Y75 WeakPolarHBondContact O-CD2 3.47Å; M72-Y75 PolarHBondContact O-N 3.25Å; E73-Y75 PolarHBondContact O-N 3.11Å; Y75-I77 PolarHBondContact O-N 3.25Å
76Y96.6Very high94Very high77 Ų7768 Ų6830%0.30236%0.356SS..EExtended strand (participates in β ladder)trans-67.1127.7178.5172.9-100.7000111.7V5 K29 Y31 E73 G78 E79V5-Y76 WeakPolarHBondContact CG1-OH 3.48Å; K29-Y76 HydrophobicContact CB-CD2 3.93Å; K29-Y76 HydrophobicContact CB-CE2 3.76Å; K29-Y76 HydrophobicContact CD-CD2 4.15Å; K29-Y76 HydrophobicContact CD-CE2 3.98Å; K29-Y76 HydrophobicContact CG-CD2 4.28Å; K29-Y76 HydrophobicContact CG-CE2 3.8Å; Y31-Y76 HydrophobicContact CE1-CD2 4.25Å; E73-Y76 VanDerWaalsContact O-CB 3.3Å; E73-Y76 WeakPolarHBondContact O-CB 3.33Å; E73-Y76 PolarHBondContact O-N 3.31Å; Y76-G78 VanDerWaalsContact CE2-C 3.5Å; Y76-G78 WeakPolarHBondContact CE2-O 3.28Å; Y76-E79 WeakPolarHBondContact OH-CG 3.43Å
77I96.6Very high92.5Very high46 Ų4673.8 Ų73.824%0.23637%0.365CS..EExtended strand (participates in β ladder)trans-117.7-18179.859.4161.7000114.1F8 W23 V30 D32 Y75F8-I77 HydrophobicContact CE2-CB 4.47Å; F8-I77 HydrophobicContact CE2-CD1 3.96Å; F8-I77 HydrophobicContact CE2-CG1 4.04Å; F8-I77 HydrophobicContact CZ-CD1 4.04Å; W23-I77 HydrophobicContact CD2-CD1 3.66Å; W23-I77 HydrophobicContact CE3-CD1 3.69Å; W23-I77 HydrophobicContact CG-CD1 4.43Å; W23-I77 HydrophobicContact CH2-CD1 3.61Å; W23-I77 HydrophobicContact CZ2-CD1 3.56Å; W23-I77 HydrophobicContact CZ3-CD1 3.67Å; V30-I77 HydrophobicContact CB-CD1 4.47Å; V30-I77 HydrophobicContact CB-CG1 4.07Å; V30-I77 HydrophobicContact CG1-CD1 3.81Å; V30-I77 HydrophobicContact CG1-CG1 3.9Å; V30-I77 VanDerWaalsContact O-CG1 3.3Å; V30-I77 WeakPolarHBondContact O-CG1 3.31Å; V30-I77 PolarHBondContact O-N 2.66Å; D32-I77 HydrophobicContact CB-CD1 4.27Å; D32-I77 HydrophobicContact CB-CG2 3.73Å; Y75-I77 PolarHBondContact O-N 3.25Å
78G96.6Very high90.6Very high0 Ų078.4 Ų78.40%038%0.379CS..EExtended strand (participates in β ladder)trans165.5-169.6-179.800000113.9K6 V30 Y76K6-G78 CarbonylContact O-C 3.47Å; K6-G78 WeakPolarHBondContact O-CA 3.47Å; V30-G78 PolarHBondContact N-O 2.99Å; Y76-G78 VanDerWaalsContact CE2-C 3.5Å; Y76-G78 WeakPolarHBondContact CE2-O 3.28Å
79E96.1Very high88.3Confident57 Ų5781.1 Ų81.127%0.26640%0.397SS..EExtended strand (participates in β ladder)trans-110.9154178.5-70.2-173.1-161.900111.6V5 K6 V7 F8 Y76 R85V5-E79 HydrophobicContact CG1-CB 4.01Å; V5-E79 HydrophobicContact CG1-CG 3.72Å; K6-E79 PolarHBondContact O-N 3.2Å; V7-E79 CarbonylContact C-O 3.49Å; V7-E79 VanDerWaalsContact CA-O 3.31Å; V7-E79 WeakPolarHBondContact CA-O 3.27Å; F8-E79 PolarHBondContact N-O 3.43Å; Y76-E79 WeakPolarHBondContact OH-CG 3.43Å; E79-R85 IonicContact OE2-CZ 3.13Å; E79-R85 IonicContact OE2-NH2 2.71Å; E79-R85 PolarHBondContact OE2-NH2 2.7Å
80I96.2Very high85.9Confident0 Ų085.7 Ų85.70%042%0.419CS..EExtended strand (participates in β ladder)trans-73.1145.7170.4-16073.4000110.4F8 L10 V13 V25 D28 V30 D84 R85F8-I80 CarbonylContact O-C 3.57Å; F8-I80 WeakPolarHBondContact O-CA 3.43Å; F8-I80 WeakPolarHBondContact O-CD1 3.49Å; L10-I80 HydrophobicContact CB-CD1 4.35Å; V13-I80 HydrophobicContact CG2-CD1 3.95Å; V25-I80 HydrophobicContact CG1-CB 4.36Å; V25-I80 HydrophobicContact CG2-CD1 4.13Å; D28-I80 HydrophobicContact CB-CG2 3.85Å; D28-I80 WeakPolarHBondContact O-CG2 3.28Å; D28-I80 PolarHBondContact O-N 3.15Å; V30-I80 HydrophobicContact CG2-CB 4.47Å; V30-I80 HydrophobicContact CG2-CD1 4.47Å; I80-D84 HydrophobicContact CD1-CB 4.47Å; I80-D84 HydrophobicContact CG1-CB 3.82Å; I80-R85 HydrophobicContact CG2-CB 4.26Å; I80-R85 HydrophobicContact CG2-CG 3.47Å; I80-R85 VanDerWaalsContact CG2-CG 3.47Å
81A95.6Very high83.6Confident12 Ų1286.7 Ų86.710%0.09942%0.421CS..  trans-54.1139.1177.500000110.7V7 F8 T9 A83 D84 R85V7-A81 HydrophobicContact CG1-CB 3.98Å; F8-A81 WeakPolarHBondContact O-CB 3.35Å; F8-A81 PolarHBondContact O-N 3.48Å; T9-A81 HydrophobicContact CG2-CB 4.41Å; A81-A83 PolarHBondContact O-N 3.25Å; A81-D84 PolarHBondContact O-N 3.15Å; A81-R85 PolarHBondContact O-N 3.33Å; A81-R85 VanDerWaalsContact O-N 3.11Å
82P92.4Very high81.1Confident98 Ų9888.7 Ų88.764%0.63643%0.434SS*.THydrogen-bonded Turntrans-56.3-26.6-178.4-25.733.1000114.6D84P82-D84 VanDerWaalsContact C-N 3.33Å
83A91.9Very high78.6Confident79 Ų7992.7 Ų92.765%0.65346%0.464SS*.THydrogen-bonded Turntrans-70.9-29.9176.800000112.9A81A81-A83 PolarHBondContact O-N 3.25Å
84D92.8Very high76Confident55 Ų5591.8 Ų91.829%0.29447%0.471SS..THydrogen-bonded Turntrans-98.2-21.6-173.3-67.3-30.3000112.9T9 L10 Y54 I80 A81 P82 E86T9-D84 WeakPolarHBondContact CA-OD2 3.48Å; L10-D84 HydrophobicContact CB-CB 4.02Å; L10-D84 PolarHBondContact N-OD2 3.31Å; Y54-D84 PolarHBondContact OH-O 3.05Å; I80-D84 HydrophobicContact CD1-CB 4.47Å; I80-D84 HydrophobicContact CG1-CB 3.82Å; A81-D84 PolarHBondContact O-N 3.15Å; P82-D84 VanDerWaalsContact C-N 3.33Å; D84-E86 PolarHBondContact O-N 3.36Å
85R90.5Very high73.8Confident86 Ų8692.9 Ų92.933%0.32547%0.474SS..SBendtrans-39.1139.3176.5-72.1-177.3-173.8-159.2-5.6111.7D28 E79 I80 A81 R87D28-R85 HydrophobicContact CB-CG 4.13Å; D28-R85 WeakPolarHBondContact OD1-CA 3.45Å; D28-R85 WeakPolarHBondContact OD1-CB 3.41Å; E79-R85 IonicContact OE2-CZ 3.13Å; E79-R85 IonicContact OE2-NH2 2.71Å; E79-R85 PolarHBondContact OE2-NH2 2.7Å; I80-R85 HydrophobicContact CG2-CB 4.26Å; I80-R85 HydrophobicContact CG2-CG 3.47Å; I80-R85 VanDerWaalsContact CG2-CG 3.47Å; A81-R85 PolarHBondContact O-N 3.33Å; A81-R85 VanDerWaalsContact O-N 3.11Å; R85-R87 PolarHBondContact O-N 3.23Å
86E74.8Confident71.4Confident92 Ų9296 Ų9643%0.4350%0.497SS..  trans-61.492.5177-72.9-163.3115.700108.4D28 Y54 T56 D84 K88D28-E86 PolarHBondContact OD1-N 2.65Å; D28-E86 VanDerWaalsContact OD1-N 3.16Å; Y54-E86 HydrophobicContact CD1-CG 3.53Å; Y54-E86 HydrophobicContact CD2-CG 4.23Å; Y54-E86 HydrophobicContact CE1-CG 3.64Å; Y54-E86 HydrophobicContact CE2-CG 4.3Å; Y54-E86 HydrophobicContact CG-CG 3.85Å; T56-E86 PolarHBondContact OG1-OE2 3.15Å; D84-E86 PolarHBondContact O-N 3.36Å; E86-K88 PolarHBondContact O-N 3.24Å
87R64.7Low68.9Low209 Ų20999.7 Ų99.779%0.78952%0.521SS*.  trans-66.997.3169.5-74.4-170.5-75-178.9-4.5103.9R85 S89R85-R87 PolarHBondContact O-N 3.23Å; R87-S89 PolarHBondContact O-N 3.33Å
88K54.9Low66.3Low202 Ų202105.5 Ų105.588%0.87855%0.545SS*.  trans-53.584.5142.9-71-172-177.7-177.60104.2E86 K90E86-K88 PolarHBondContact O-N 3.24Å; K88-K90 VanDerWaalsContact C-N 3.31Å; K88-K90 PolarHBondContact O-N 2.91Å
89S46.7Very low63.7Low91 Ų91112.6 Ų112.664%0.63658%0.576SS**  trans-47.9110.5173.3173.70000102.8R87 F91R87-S89 PolarHBondContact O-N 3.33Å; S89-F91 PolarHBondContact O-N 3.05Å
90K44.9Very low61.2Low174 Ų174116.3 Ų116.376%0.75760%0.596SS**  trans-51.499.4155-80.7-179.3177.6175.90101.8K88 T92K88-K90 VanDerWaalsContact C-N 3.31Å; K88-K90 PolarHBondContact O-N 2.91Å; K90-T92 HydrophobicContact CB-CG2 3.96Å; K90-T92 PolarHBondContact O-N 3.39Å; K90-T92 PolarHBondContact O-OG1 3.21Å
91F47.3Very low58.9Low152 Ų152122.3 Ų122.367%0.66763%0.628SS**  trans-6769.9170.5-177.6-95.7000105.3S89 F95S89-F91 PolarHBondContact O-N 3.05Å; F91-F95 HydrophobicContact CE2-CD2 4.31Å; F91-F95 HydrophobicContact CZ-CB 3.82Å; F91-F95 AromaticContact CZ-CD2 3.81Å; F91-F95 HydrophobicContact CZ-CD2 3.81Å; F91-F95 HydrophobicContact CZ-CG 4.23Å
92T43.6Very low56.4Low99 Ų99128.5 Ų128.561%0.60766%0.66SS**  trans-115.4107.9168.863.70000101.2K90K90-T92 HydrophobicContact CB-CG2 3.96Å; K90-T92 PolarHBondContact O-N 3.39Å; K90-T92 PolarHBondContact O-OG1 3.21Å
93S41.2Very low54.3Low107 Ų107129.7 Ų129.775%0.74866%0.655SS**SBendtrans62.683.5169.155.90000117.6
94S41.8Very low52.1Low103 Ų103129 Ų12972%0.7265%0.646SS**  -175.734.9129.7-76.40000112.3T96S94-T96 PolarHBondContact O-N 3.11Å
95F49Very low49.9Very low172 Ų172135.3 Ų135.375%0.75467%0.671SS**SBendtrans-63.687130.5-131.6-99.3000103.9F91 L97F91-F95 HydrophobicContact CE2-CD2 4.31Å; F91-F95 HydrophobicContact CZ-CB 3.82Å; F91-F95 AromaticContact CZ-CD2 3.81Å; F91-F95 HydrophobicContact CZ-CD2 3.81Å; F91-F95 HydrophobicContact CZ-CG 4.23Å; F95-L97 PolarHBondContact O-N 3.16Å
96T46.4Very low47.9Very low104 Ų104136.3 Ų136.364%0.63869%0.687SS**  trans-37.3102148.1-63.70000103.9S94 K98S94-T96 PolarHBondContact O-N 3.11Å; T96-K98 HydrophobicContact CG2-CB 4.22Å; T96-K98 PolarHBondContact O-N 3.06Å
97L42.7Very low46.7Very low156 Ų156142.4 Ų142.482%0.81771%0.706SS**  trans-58.376.2154.8-165.7151.6000102.6F95 K99F95-L97 PolarHBondContact O-N 3.16Å; L97-K99 PolarHBondContact O-N 2.76Å
98K41.6Very low46.1Very low168 Ų168140.2 Ų140.273%0.7370%0.697SS**  trans-64.883.8156.7-178175.9-180175.40100.7T96 I100T96-K98 HydrophobicContact CG2-CB 4.22Å; T96-K98 PolarHBondContact O-N 3.06Å; K98-I100 WeakPolarHBondContact O-CG1 3.34Å; K98-I100 PolarHBondContact O-N 3.02Å
99K43.7Very low45.9Very low148 Ų148133.1 Ų133.164%0.64367%0.673SS**  23.372.4117.6-165166.6-172.5170.50109.9L97 D101L97-K99 PolarHBondContact O-N 2.76Å; K99-D101 WeakPolarHBondContact CE-OD2 3.34Å; K99-D101 HydrophobicContact CG-CB 3.83Å; K99-D101 PolarHBondContact O-N 2.82Å
100I43.6Very low46.4Very low135 Ų135131.3 Ų131.369%0.69267%0.669SS**  trans-88.959.3152.4-59.3173.1000103.7K98 D102 F103K98-I100 WeakPolarHBondContact O-CG1 3.34Å; K98-I100 PolarHBondContact O-N 3.02Å; I100-D102 PolarHBondContact O-N 3.42Å; I100-F103 HydrophobicContact CG2-CB 3.57Å
101D46.7Very low46.9Very low126 Ų126128.3 Ų128.367%0.67466%0.661SS**THydrogen-bonded Turntrans-72.24.9152.7-95.2-64.6000110.1K99K99-D101 WeakPolarHBondContact CE-OD2 3.34Å; K99-D101 HydrophobicContact CG-CB 3.83Å; K99-D101 PolarHBondContact O-N 2.82Å
102D43.3Very low47.3Very low143 Ų143126.3 Ų126.377%0.76566%0.657SS**THydrogen-bonded Turntrans-124.827.3177.3-88.3-67.1000112.6I100 S104I100-D102 PolarHBondContact O-N 3.42Å; D102-S104 PolarHBondContact O-N 3.29Å
103F47.3Very low48.1Very low122 Ų122126.9 Ų126.954%0.53566%0.655SS.*SBendtrans-76.771.9141.7-168.7-101.7000104.9I100 F105 W108I100-F103 HydrophobicContact CG2-CB 3.57Å; F103-F105 VanDerWaalsContact C-N 3.32Å; F103-F105 PolarHBondContact O-N 2.74Å; F103-W108 HydrophobicContact CE1-CB 4.14Å; F103-W108 HydrophobicContact CE1-CE3 4.03Å; F103-W108 HydrophobicContact CZ-CB 4.24Å; F103-W108 HydrophobicContact CZ-CE3 4.37Å
104S46Very low49.1Very low66 Ų66125 Ų12546%0.46264%0.64SS.*  trans-46.4110.2164.9-168.30000105.3D102 T106 R107D102-S104 PolarHBondContact O-N 3.29Å; S104-T106 PolarHBondContact O-N 3.08Å; S104-T106 PolarHBondContact OG-OG1 3.46Å; S104-R107 PolarHBondContact O-N 3.24Å
105F47.5Very low50.3Low187 Ų187124.7 Ų124.782%0.8263%0.629SS**THydrogen-bonded Turntrans-51.117.4172.1-173.5-106.4000113.4F103F103-F105 VanDerWaalsContact C-N 3.32Å; F103-F105 PolarHBondContact O-N 2.74Å
106T48.6Very low51.1Low107 Ų107118.3 Ų118.366%0.65661%0.612SS**THydrogen-bonded Turntrans-102.2-4.2-177.3-43.80000112.4S104 S109S104-T106 PolarHBondContact O-N 3.08Å; S104-T106 PolarHBondContact OG-OG1 3.46Å; T106-S109 PolarHBondContact O-OG 3.48Å
107R49Very low52.5Low219 Ų219117.9 Ų117.983%0.82661%0.609SS**SBendtrans-112.8-14.1175.1-153.1168.6-174.2158.50.9115.7S104S104-R107 PolarHBondContact O-N 3.24Å
108W51.6Low54.2Low163 Ų163114.6 Ų114.662%0.61760%0.595SS**SBendtrans-92.3-14.8170.1-152.7-14.1000113.1F103 G110 L111F103-W108 HydrophobicContact CE1-CB 4.14Å; F103-W108 HydrophobicContact CE1-CE3 4.03Å; F103-W108 HydrophobicContact CZ-CB 4.24Å; F103-W108 HydrophobicContact CZ-CE3 4.37Å; W108-G110 PolarHBondContact O-N 2.99Å; W108-L111 PolarHBondContact O-N 3.35Å
109S52Low56.1Low53 Ų53110.4 Ų110.437%0.37158%0.583SS.*Hα-helixtrans-62.8-14.6160.142.80000112.5T106 I113T106-S109 PolarHBondContact O-OG 3.48Å; S109-I113 WeakPolarHBondContact O-CD1 3.33Å; S109-I113 WeakPolarHBondContact O-CG1 3.43Å
110G55.6Low58Low54 Ų54107.6 Ų107.656%0.55758%0.578SS**Hα-helixtrans-78.2-13.5177.800000116.4W108W108-G110 PolarHBondContact O-N 2.99Å
111L56.3Low59.8Low110 Ų110104 Ų10458%0.57657%0.569SS**Hα-helixtrans-116.6-19.5-177.1-166.766.3000113.8W108 P114W108-L111 PolarHBondContact O-N 3.35Å; L111-P114 WeakPolarHBondContact O-CD 3.17Å; L111-P114 WeakPolarHBondContact O-CG 3.1Å
112L56.6Low61.6Low111 Ų111102.7 Ų102.758%0.58156%0.561SS**Hα-helixtrans-83.9-22.8173.2-63.7179000113G116L112-G116 PolarHBondContact O-N 3.45Å
113I60.4Low63.7Low111 Ų111100.5 Ų100.557%0.56955%0.548SS*.Hα-helixtrans-65.9-45.2175.4-64171000112.9S109 I115 G116 V117S109-I113 WeakPolarHBondContact O-CD1 3.33Å; S109-I113 WeakPolarHBondContact O-CG1 3.43Å; I113-I115 VanDerWaalsContact C-N 3.33Å; I113-I115 PolarHBondContact O-N 2.97Å; I113-G116 PolarHBondContact O-N 3.01Å; I113-V117 WeakPolarHBondContact O-CG2 3.34Å; I113-V117 PolarHBondContact O-N 2.93Å
114P60.9Low65.5Low66 Ų6698.5 Ų98.543%0.42955%0.545SS..Hα-helixtrans-67.4-31176.724.1-33000113.1L111 V118L111-P114 WeakPolarHBondContact O-CD 3.17Å; L111-P114 WeakPolarHBondContact O-CG 3.1Å; P114-V118 VanDerWaalsContact O-CG2 3.32Å; P114-V118 WeakPolarHBondContact O-CG2 3.49Å; P114-V118 PolarHBondContact O-N 3.16Å
115I67.3Low67.5Low98 Ų98103 Ų10350%0.50355%0.554SS.*Hα-helixtrans-72-41.9178.2-60.7170.9000110.6I113 V117 V118 V119I113-I115 VanDerWaalsContact C-N 3.33Å; I113-I115 PolarHBondContact O-N 2.97Å; I115-V117 PolarHBondContact O-N 3.47Å; I115-V118 PolarHBondContact O-N 3.22Å; I115-V119 WeakPolarHBondContact O-CG2 3.29Å; I115-V119 PolarHBondContact O-N 2.9Å; I115-V119 VanDerWaalsContact O-N 3.1Å
116G66.5Low69.1Low37 Ų37101.8 Ų101.838%0.38155%0.548SS..Hα-helixtrans-61.6-41176.700000113.3L112 I113 V119 V120L112-G116 PolarHBondContact O-N 3.45Å; I113-G116 PolarHBondContact O-N 3.01Å; G116-V119 PolarHBondContact O-N 2.88Å; G116-V120 WeakPolarHBondContact O-CG2 3.46Å; G116-V120 PolarHBondContact O-N 2.99Å; G116-V120 VanDerWaalsContact O-N 3.07Å
117V75.1Confident70.7Confident96 Ų96101.3 Ų101.358%0.58255%0.548SS*.Hα-helixtrans-66.5-38.7178.5174.30000111.8I113 I115 A121I113-V117 WeakPolarHBondContact O-CG2 3.34Å; I113-V117 PolarHBondContact O-N 2.93Å; I115-V117 PolarHBondContact O-N 3.47Å; V117-A121 WeakPolarHBondContact O-CB 3.3Å; V117-A121 PolarHBondContact O-N 3.49Å
118V77.9Confident72.1Confident87 Ų8799.8 Ų99.853%0.52755%0.548SS..Hα-helixtrans-67.5-41177.3173.40000111.5P114 I115 A121 I122P114-V118 VanDerWaalsContact O-CG2 3.32Å; P114-V118 WeakPolarHBondContact O-CG2 3.49Å; P114-V118 PolarHBondContact O-N 3.16Å; I115-V118 PolarHBondContact O-N 3.22Å; V118-A121 PolarHBondContact O-N 2.95Å; V118-I122 HydrophobicContact CG1-CD1 3.98Å; V118-I122 VanDerWaalsContact O-CG1 3.31Å; V118-I122 WeakPolarHBondContact O-CG1 3.4Å; V118-I122 PolarHBondContact O-N 3.31Å; V118-I122 VanDerWaalsContact O-N 3.14Å
119V82.1Confident73Confident80 Ų8099.1 Ų99.149%0.48556%0.561SS.*Hα-helixtrans-65.7-42.6177.6174.30000111.5I115 G116 I122 I123I115-V119 WeakPolarHBondContact O-CG2 3.29Å; I115-V119 PolarHBondContact O-N 2.9Å; I115-V119 VanDerWaalsContact O-N 3.1Å; G116-V119 PolarHBondContact O-N 2.88Å; V119-I122 PolarHBondContact O-N 2.61Å; V119-I123 HydrophobicContact CG1-CD1 4.03Å; V119-I123 WeakPolarHBondContact O-CG1 3.24Å; V119-I123 PolarHBondContact O-N 3.21Å
120V82.8Confident74.1Confident89 Ų89101.5 Ų101.554%0.53957%0.571SS.*Hα-helixtrans-66-41.3177.6173.80000111.5G116 I122 I123 V124G116-V120 WeakPolarHBondContact O-CG2 3.46Å; G116-V120 PolarHBondContact O-N 2.99Å; G116-V120 VanDerWaalsContact O-N 3.07Å; V120-I122 PolarHBondContact O-N 3.09Å; V120-I123 PolarHBondContact O-N 3.24Å; V120-V124 HydrophobicContact CG1-CG2 4.36Å; V120-V124 WeakPolarHBondContact O-CG2 3.46Å; V120-V124 PolarHBondContact O-N 3.09Å
121A81.6Confident75.1Confident59 Ų59103.9 Ų103.949%0.48857%0.572SS.*Hα-helixtrans-62.3-39.7177.800000112.8V117 V118 Y125V117-A121 WeakPolarHBondContact O-CB 3.3Å; V117-A121 PolarHBondContact O-N 3.49Å; V118-A121 PolarHBondContact O-N 2.95Å; A121-Y125 WeakPolarHBondContact O-CB 3.47Å; A121-Y125 PolarHBondContact O-N 3.39Å
122I84.4Confident76.1Confident98 Ų98103.6 Ų103.650%0.50357%0.571SS.*Hα-helixtrans-65.2-41.4176.5-68.3167.6000111.2V118 V119 V120 K126V118-I122 HydrophobicContact CG1-CD1 3.98Å; V118-I122 VanDerWaalsContact O-CG1 3.31Å; V118-I122 WeakPolarHBondContact O-CG1 3.4Å; V118-I122 PolarHBondContact O-N 3.31Å; V118-I122 VanDerWaalsContact O-N 3.14Å; V119-I122 PolarHBondContact O-N 2.61Å; V120-I122 PolarHBondContact O-N 3.09Å; I122-K126 PolarHBondContact O-N 3Å; I122-K126 VanDerWaalsContact O-N 3.13Å
123I87.7Confident77.3Confident97 Ų97103.2 Ų103.250%0.49757%0.571SS.*Hα-helixtrans-64.7-47.6178.4-67.1168.1000110.5V119 V120 Y125 K126 C127V119-I123 HydrophobicContact CG1-CD1 4.03Å; V119-I123 WeakPolarHBondContact O-CG1 3.24Å; V119-I123 PolarHBondContact O-N 3.21Å; V120-I123 PolarHBondContact O-N 3.24Å; I123-Y125 PolarHBondContact O-N 2.91Å; I123-K126 PolarHBondContact O-N 3.01Å; I123-C127 PolarHBondContact O-N 3.12Å; I123-C127 VanDerWaalsContact O-N 3.07Å; I123-C127 PolarHBondContact O-SG 2.87Å; I123-C127 VanDerWaalsContact O-SG 3.4Å
124V86.4Confident78.3Confident80 Ų80102.7 Ų102.749%0.48557%0.571SS.*Hα-helixtrans-62.8-42.3179.9174.80000111.4V120 K126 C127 F128V120-V124 HydrophobicContact CG1-CG2 4.36Å; V120-V124 WeakPolarHBondContact O-CG2 3.46Å; V120-V124 PolarHBondContact O-N 3.09Å; V124-K126 VanDerWaalsContact C-N 3.33Å; V124-K126 PolarHBondContact O-N 3.45Å; V124-C127 PolarHBondContact O-N 2.95Å; V124-C127 VanDerWaalsContact O-N 3.14Å; V124-F128 HydrophobicContact CG1-CD2 4.42Å; V124-F128 PolarHBondContact O-N 2.82Å
125Y86.2Confident79.5Confident162 Ų162105.1 Ų105.164%0.63558%0.58SS**Hα-helixtrans-59.8-42.1176.5179.8-102.1000112.1A121 I123 C127 F128 V129A121-Y125 WeakPolarHBondContact O-CB 3.47Å; A121-Y125 PolarHBondContact O-N 3.39Å; I123-Y125 PolarHBondContact O-N 2.91Å; Y125-C127 VanDerWaalsContact C-N 3.29Å; Y125-C127 PolarHBondContact O-N 3.13Å; Y125-F128 PolarHBondContact O-N 2.99Å; Y125-V129 HydrophobicContact CD2-CG2 4.27Å; Y125-V129 HydrophobicContact CE1-CG2 4.48Å; Y125-V129 HydrophobicContact CE2-CG2 3.79Å; Y125-V129 PolarHBondContact O-N 3.16Å
126K83.2Confident80.3Confident160 Ų160105.6 Ų105.670%0.69659%0.586SS**Hα-helixtrans-73.7-15.5176.9-74.5-164.867.2143.30114.7I122 I123 V124I122-K126 PolarHBondContact O-N 3Å; I122-K126 VanDerWaalsContact O-N 3.13Å; I123-K126 PolarHBondContact O-N 3.01Å; V124-K126 VanDerWaalsContact C-N 3.33Å; V124-K126 PolarHBondContact O-N 3.45Å
127C81.3Confident81.4Confident98 Ų98110.9 Ų110.966%0.66260%0.602SS**Hα-helixtrans-88.8-15.8174.1-71.40000113.1I123 V124 Y125I123-C127 PolarHBondContact O-N 3.12Å; I123-C127 VanDerWaalsContact O-N 3.07Å; I123-C127 PolarHBondContact O-SG 2.87Å; I123-C127 VanDerWaalsContact O-SG 3.4Å; V124-C127 PolarHBondContact O-N 2.95Å; V124-C127 VanDerWaalsContact O-N 3.14Å; Y125-C127 VanDerWaalsContact C-N 3.29Å; Y125-C127 PolarHBondContact O-N 3.13Å
128F78.2Confident81.9Confident187 Ų187112.2 Ų112.282%0.8260%0.603SS**Hα-helixtrans-116.4-2-176-92.4-87.8000115V124 Y125V124-F128 HydrophobicContact CG1-CD2 4.42Å; V124-F128 PolarHBondContact O-N 2.82Å; Y125-F128 PolarHBondContact O-N 2.99Å
129V71.4Confident82.3Confident149 Ų149114.5 Ų114.590%0.90361%0.61SS**  trans-111.90166.3169.20000108.6Y125Y125-V129 HydrophobicContact CD2-CG2 4.27Å; Y125-V129 HydrophobicContact CE1-CG2 4.48Å; Y125-V129 HydrophobicContact CE2-CG2 3.79Å; Y125-V129 PolarHBondContact O-N 3.16Å

Retrieved 129 of 129 residues in 131 ms (Link to these results)

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