A0A087YEI8_POEFO Loading...

Cytochrome b5 domain-containing protein 1

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

AlphaFold DB , UniProt , Accession A0A087YEI8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 216 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
1M42Very low81.3Confident244 Ų244109.3 Ų109.3100%1.20251%0.511SS*.  0122.70-81.2175.5153.900107.6K3M1-K3 PolarHBondContact O-N 3.08Å
2K54.8Low82.5Confident188 Ų188104.6 Ų104.682%0.81749%0.489SS*.PPolyproline II helixtrans-63.8117.7175.9-74.9-174.2176.1-172.30109
3K68Low83.6Confident152 Ų15296.7 Ų96.766%0.66145%0.453SS*.PPolyproline II helixtrans-74135175.3-161.7176.9-179.3-173.50107.7M1M1-K3 PolarHBondContact O-N 3.08Å
4R75.8Confident84.6Confident215 Ų21592.9 Ų92.981%0.81145%0.446SS*.PPolyproline II helixtrans-68.2137.3177.4-70.7-175.8179.8-176.3-1.6109.5
5P80.8Confident85.4Confident62 Ų6291.4 Ų91.440%0.40345%0.449SS..PPolyproline II helixtrans-57.5139.1174-19.730.9000110.3F8P5-F8 HydrophobicContact CB-CE1 4.05Å; P5-F8 HydrophobicContact CB-CZ 4.01Å; P5-F8 HydrophobicContact CG-CE1 4.27Å; P5-F8 HydrophobicContact CG-CZ 4.41Å
6R90.4Very high86.2Confident151 Ų15188.1 Ų88.157%0.5743%0.432SS*.SBendtrans-91.2-34.6178.3-61178.780.9-178.42.9111.6L118 E149R6-L118 PolarHBondContact O-N 2.76Å; R6-E149 VanDerWaalsContact CD-OE1 3.25Å; R6-E149 WeakPolarHBondContact CD-OE1 3.32Å
7Y95.8Very high86.8Confident53 Ų5390.5 Ų90.521%0.20844%0.44CS..EExtended strand (participates in β ladder)trans-115.5147.5179.1-61-78.9000109.9L118 E144 E145 R153Y7-L118 CarbonylContact C-O 3.5Å; Y7-L118 VanDerWaalsContact CA-O 3.29Å; Y7-L118 WeakPolarHBondContact CA-O 3.37Å; Y7-L118 HydrophobicContact CD1-CB 3.81Å; Y7-L118 HydrophobicContact CD1-CD1 4.45Å; Y7-L118 HydrophobicContact CE1-CB 3.98Å; Y7-L118 HydrophobicContact CE1-CD1 3.79Å; Y7-E144 HydrophobicContact CD1-CB 3.99Å; Y7-E144 HydrophobicContact CD1-CG 4.37Å; Y7-E144 HydrophobicContact CD2-CB 3.88Å; Y7-E144 HydrophobicContact CE1-CB 3.7Å; Y7-E144 HydrophobicContact CE1-CG 4.01Å; Y7-E144 HydrophobicContact CE2-CB 3.56Å; Y7-E144 HydrophobicContact CG-CB 4.08Å; Y7-E144 VanDerWaalsContact CZ-CB 3.46Å; Y7-E145 HydrophobicContact CD2-CG 4.13Å; Y7-R153 PolarHBondContact O-NH2 3.13Å
8F96.7Very high87.2Confident15 Ų1589 Ų897%0.06644%0.437CS..EExtended strand (participates in β ladder)trans-129.1142.1179.3-65.7-86.9000110.1P5 E12 V13 W23 V30 V116 L118 S120P5-F8 HydrophobicContact CB-CE1 4.05Å; P5-F8 HydrophobicContact CB-CZ 4.01Å; P5-F8 HydrophobicContact CG-CE1 4.27Å; P5-F8 HydrophobicContact CG-CZ 4.41Å; F8-E12 VanDerWaalsContact CA-OE2 3.25Å; F8-E12 WeakPolarHBondContact CA-OE2 3.36Å; F8-E12 HydrophobicContact CD1-CB 4.37Å; F8-V13 HydrophobicContact CB-CG2 4.17Å; F8-W23 HydrophobicContact CD1-CH2 4.46Å; F8-W23 AromaticContact CD1-CZ3 3.82Å; F8-W23 HydrophobicContact CD1-CZ3 3.82Å; F8-W23 AromaticContact CE1-CH2 3.79Å; F8-W23 HydrophobicContact CE1-CH2 3.79Å; F8-W23 AromaticContact CE1-CZ3 3.59Å; F8-W23 HydrophobicContact CE1-CZ3 3.59Å; F8-W23 HydrophobicContact CG-CZ3 4.4Å; F8-W23 HydrophobicContact CZ-CH2 4.05Å; F8-W23 HydrophobicContact CZ-CZ3 4Å; F8-V30 HydrophobicContact CB-CG2 4.1Å; F8-V30 HydrophobicContact CD2-CB 4.23Å; F8-V30 HydrophobicContact CD2-CG1 4.47Å; F8-V30 HydrophobicContact CD2-CG2 4.15Å; F8-V30 HydrophobicContact CG-CG2 4.43Å; F8-V116 HydrophobicContact CE2-CG2 4.3Å; F8-L118 PolarHBondContact N-O 3.18Å; F8-S120 PolarHBondContact O-N 3.03Å
9T96.8Very high87.5Confident3 Ų387.8 Ų87.82%0.01844%0.439CS..  trans-76.7156.8170.574.40000110.2A11 E12 V13 T123 E140T9-A11 PolarHBondContact O-N 2.97Å; T9-A11 PolarHBondContact OG1-N 3.02Å; T9-E12 PolarHBondContact N-OE2 2.87Å; T9-E12 PolarHBondContact O-N 3.4Å; T9-E12 VanDerWaalsContact O-N 3.17Å; T9-E12 WeakPolarHBondContact OG1-CG 3.33Å; T9-E12 PolarHBondContact OG1-N 3.36Å; T9-E12 VanDerWaalsContact OG1-N 3.12Å; T9-V13 PolarHBondContact O-N 3.41Å; T9-T123 HydrophobicContact CG2-CG2 3.78Å; T9-E140 HydrophobicContact CG2-CG 4.1Å
10P96.8Very high87.8Confident65 Ų6585.9 Ų85.942%0.42244%0.442SS..Hα-helixtrans-56.9-34.6171.6-25.535.4000112.8V13 A14 L119P10-V13 PolarHBondContact O-N 2.91Å; P10-A14 VanDerWaalsContact O-CB 3.29Å; P10-A14 WeakPolarHBondContact O-CB 3.45Å; P10-A14 PolarHBondContact O-N 3.37Å; P10-L119 HydrophobicContact CG-CD1 4.34Å
11A96.3Very high88.2Confident54 Ų5484.6 Ų84.645%0.44644%0.436SS..Hα-helixtrans-65.9-38.9177.500000112.4T9 A14 S15T9-A11 PolarHBondContact O-N 2.97Å; T9-A11 PolarHBondContact OG1-N 3.02Å; A11-A14 PolarHBondContact O-N 3.47Å; A11-S15 PolarHBondContact O-N 3.02Å; A11-S15 VanDerWaalsContact O-N 3.12Å
12E95.7Very high90.8Very high53 Ų5373 Ų7325%0.24838%0.379CS..Hα-helixtrans-62.4-48.7174.4-73.9175.9140.200111.1F8 T9 A14 S15 H16 R153F8-E12 VanDerWaalsContact CA-OE2 3.25Å; F8-E12 WeakPolarHBondContact CA-OE2 3.36Å; F8-E12 HydrophobicContact CD1-CB 4.37Å; T9-E12 PolarHBondContact N-OE2 2.87Å; T9-E12 PolarHBondContact O-N 3.4Å; T9-E12 VanDerWaalsContact O-N 3.17Å; T9-E12 WeakPolarHBondContact OG1-CG 3.33Å; T9-E12 PolarHBondContact OG1-N 3.36Å; T9-E12 VanDerWaalsContact OG1-N 3.12Å; E12-A14 VanDerWaalsContact C-N 3.28Å; E12-A14 PolarHBondContact O-N 3.16Å; E12-S15 WeakPolarHBondContact O-CB 3.24Å; E12-S15 PolarHBondContact O-N 3.19Å; E12-S15 VanDerWaalsContact O-N 3.12Å; E12-S15 PolarHBondContact O-OG 3.36Å; E12-H16 PolarHBondContact O-CD2 2.95Å; E12-R153 IonicContact OE1-CZ 3.52Å; E12-R153 IonicContact OE1-NH1 3.24Å; E12-R153 PolarHBondContact OE1-NH1 3.2Å; E12-R153 IonicContact OE1-NH2 3.55Å; E12-R153 PolarHBondContact OE1-NH2 3.23Å; E12-R153 IonicContact OE2-CZ 2.74Å; E12-R153 IonicContact OE2-NH1 3.81Å; E12-R153 PolarHBondContact OE2-NH1 2.88Å; E12-R153 IonicContact OE2-NH2 2.89Å; E12-R153 PolarHBondContact OE2-NH2 3.06Å
13V97.3Very high92.9Very high2 Ų265.4 Ų65.41%0.01235%0.345CS..Hα-helixtrans-59.6-42.1176.1-178.60000110.9F8 T9 P10 S15 H16 W23 V30 G54 L119F8-V13 HydrophobicContact CB-CG2 4.17Å; T9-V13 PolarHBondContact O-N 3.41Å; P10-V13 PolarHBondContact O-N 2.91Å; V13-S15 PolarHBondContact O-N 3.14Å; V13-H16 PolarHBondContact O-N 3.38Å; V13-H16 VanDerWaalsContact O-N 3.12Å; V13-W23 HydrophobicContact CG1-CB 4.28Å; V13-V30 HydrophobicContact CG2-CB 4.47Å; V13-V30 HydrophobicContact CG2-CG1 3.79Å; V13-V30 HydrophobicContact CG2-CG2 3.76Å; V13-G54 WeakPolarHBondContact O-CA 3.36Å; V13-L119 HydrophobicContact CG2-CD1 3.92Å
14A97.5Very high94.3Very high44 Ų4458.2 Ų58.236%0.36431%0.314SS..Hα-helixtrans-64-22.2179.300000114P10 A11 E12 H16 F17 G54P10-A14 VanDerWaalsContact O-CB 3.29Å; P10-A14 WeakPolarHBondContact O-CB 3.45Å; P10-A14 PolarHBondContact O-N 3.37Å; A11-A14 PolarHBondContact O-N 3.47Å; E12-A14 VanDerWaalsContact C-N 3.28Å; E12-A14 PolarHBondContact O-N 3.16Å; A14-H16 PolarHBondContact O-N 3.19Å; A14-F17 WeakPolarHBondContact O-CD1 3.26Å; A14-G54 VanDerWaalsContact CA-O 3.31Å; A14-G54 WeakPolarHBondContact CA-O 3.43Å
15S96.9Very high95.4Very high70 Ų7048.1 Ų48.149%0.4928%0.277SS..Hα-helixtrans-71.5-19.917676.40000113.5A11 E12 V13 F17A11-S15 PolarHBondContact O-N 3.02Å; A11-S15 VanDerWaalsContact O-N 3.12Å; E12-S15 WeakPolarHBondContact O-CB 3.24Å; E12-S15 PolarHBondContact O-N 3.19Å; E12-S15 VanDerWaalsContact O-N 3.12Å; E12-S15 PolarHBondContact O-OG 3.36Å; V13-S15 PolarHBondContact O-N 3.14Å; S15-F17 WeakPolarHBondContact O-CD1 3.47Å; S15-F17 PolarHBondContact O-N 3.26Å
16H96.8Very high96.1Very high39 Ų3945.6 Ų45.618%0.18126%0.259CS..  trans-99.170.1-179.8-62.8-79.8000111.4E12 V13 A14 D21 W23E12-H16 PolarHBondContact O-CD2 2.95Å; V13-H16 PolarHBondContact O-N 3.38Å; V13-H16 VanDerWaalsContact O-N 3.12Å; A14-H16 PolarHBondContact O-N 3.19Å; H16-D21 CarbonylContact C-O 3.5Å; H16-D21 IonicContact CE1-OD1 3.2Å; H16-D21 IonicContact CE1-OD2 3.73Å; H16-D21 IonicContact CG-OD1 3.62Å; H16-D21 IonicContact CG-OD2 2.98Å; H16-D21 IonicContact ND1-OD1 2.95Å; H16-D21 PolarHBondContact ND1-OD1 3.2Å; H16-D21 IonicContact ND1-OD2 3.16Å; H16-D21 PolarHBondContact ND1-OD2 2.96Å; H16-W23 HydrophobicContact CB-CB 3.64Å; H16-W23 HydrophobicContact CB-CD2 3.9Å; H16-W23 HydrophobicContact CB-CG 3.44Å; H16-W23 VanDerWaalsContact CB-CG 3.44Å; H16-W23 AromaticContact CD2-CD2 3.49Å; H16-W23 VanDerWaalsContact CD2-CD2 3.49Å; H16-W23 AromaticContact CD2-CE2 3.81Å; H16-W23 AromaticContact CD2-CE3 3.48Å; H16-W23 VanDerWaalsContact CD2-CE3 3.48Å; H16-W23 AromaticContact CD2-CZ3 3.81Å; H16-W23 AromaticContact CE1-CE2 3.93Å; H16-W23 AromaticContact CE1-CZ2 3.88Å; H16-W23 AromaticContact CG-CD1 3.89Å; H16-W23 AromaticContact CG-CD2 3.61Å; H16-W23 AromaticContact CG-CE2 3.79Å; H16-W23 AromaticContact CG-CG 3.72Å; H16-W23 AromaticContact CG-NE1 3.9Å; H16-W23 AromaticContact ND1-CE2 3.85Å; H16-W23 AromaticContact ND1-NE1 3.82Å; H16-W23 AromaticContact NE2-CE2 3.91Å; H16-W23 AromaticContact NE2-CE3 3.98Å; H16-W23 AromaticContact NE2-CH2 3.74Å; H16-W23 AromaticContact NE2-CZ2 3.78Å; H16-W23 AromaticContact NE2-CZ3 3.83Å; H16-W23 PolarHBondContact O-N 3.06Å
17F96.4Very high96.4Very high128 Ų12841.2 Ų41.256%0.56125%0.247SC*.EExtended strand (participates in β ladder)trans-115.19.9-170.469.9-87.4000115.4A14 S15 D21 A53A14-F17 WeakPolarHBondContact O-CD1 3.26Å; S15-F17 WeakPolarHBondContact O-CD1 3.47Å; S15-F17 PolarHBondContact O-N 3.26Å; F17-D21 PolarHBondContact N-O 3.34Å; F17-A53 HydrophobicContact CB-CB 4.28Å; F17-A53 WeakPolarHBondContact O-CB 3.21Å
18T94.9Very high96.4Very high64 Ų6440.3 Ų40.339%0.39325%0.253SS..EExtended strand (participates in β ladder)trans-107.5162.6-173.472.90000112.3G20 D21 L22T18-G20 PolarHBondContact O-N 3.13Å; T18-D21 PolarHBondContact N-O 3.26Å; T18-D21 CarbonylContact O-C 3.36Å; T18-D21 PolarHBondContact O-N 2.73Å; T18-D21 VanDerWaalsContact O-N 3.09Å; T18-D21 PolarHBondContact OG1-N 2.74Å; T18-L22 VanDerWaalsContact O-CB 3.31Å; T18-L22 WeakPolarHBondContact O-CB 3.45Å; T18-L22 PolarHBondContact O-N 3.1Å
19S91.9Very high96.4Very high67 Ų6742.5 Ų42.547%0.46926%0.263SS..THydrogen-bonded Turntrans-63.9-24.7178.6560000114.1
20G94.3Very high96.4Very high49 Ų4942.4 Ų42.451%0.50526%0.262SS..THydrogen-bonded Turntrans-90.3-8.1176.200000114.2T18 T34T18-G20 PolarHBondContact O-N 3.13Å; G20-T34 WeakPolarHBondContact O-CG2 3.37Å
21D96.3Very high96.5Very high59 Ų5939.5 Ų39.532%0.31624%0.243SC..EExtended strand (participates in β ladder)trans-158.285.6-177.7-174.520.2000109H16 F17 T18 T34H16-D21 CarbonylContact C-O 3.5Å; H16-D21 IonicContact CE1-OD1 3.2Å; H16-D21 IonicContact CE1-OD2 3.73Å; H16-D21 IonicContact CG-OD1 3.62Å; H16-D21 IonicContact CG-OD2 2.98Å; H16-D21 IonicContact ND1-OD1 2.95Å; H16-D21 PolarHBondContact ND1-OD1 3.2Å; H16-D21 IonicContact ND1-OD2 3.16Å; H16-D21 PolarHBondContact ND1-OD2 2.96Å; F17-D21 PolarHBondContact N-O 3.34Å; T18-D21 PolarHBondContact N-O 3.26Å; T18-D21 CarbonylContact O-C 3.36Å; T18-D21 PolarHBondContact O-N 2.73Å; T18-D21 VanDerWaalsContact O-N 3.09Å; T18-D21 PolarHBondContact OG1-N 2.74Å; D21-T34 WeakPolarHBondContact CA-OG1 3.46Å
22L96.9Very high96.5Very high0 Ų038.9 Ų38.90%023%0.233CC..EExtended strand (participates in β ladder)trans-121.3109.3-169.9-166.9149.1000110.8T18 V24 L33 T34 M37 I49 A53T18-L22 VanDerWaalsContact O-CB 3.31Å; T18-L22 WeakPolarHBondContact O-CB 3.45Å; T18-L22 PolarHBondContact O-N 3.1Å; L22-V24 HydrophobicContact CD2-CG1 3.99Å; L22-L33 HydrophobicContact CD2-CB 3.78Å; L22-L33 HydrophobicContact CD2-CD1 4.21Å; L22-L33 HydrophobicContact CD2-CG 4.39Å; L22-L33 PolarHBondContact O-N 3.37Å; L22-T34 PolarHBondContact N-OG1 3.17Å; L22-T34 PolarHBondContact O-N 2.93Å; L22-M37 HydrophobicContact CB-CG 4.22Å; L22-M37 HydrophobicContact CD1-CE 4.39Å; L22-M37 HydrophobicContact CD1-CG 3.96Å; L22-M37 HydrophobicContact CD1-SD 3.91Å; L22-I49 HydrophobicContact CD2-CG2 3.91Å; L22-A53 HydrophobicContact CD1-CB 3.68Å; L22-A53 HydrophobicContact CD2-CB 4.42Å; L22-A53 HydrophobicContact CG-CB 3.67Å
23W97.9Very high96.6Very high29 Ų2936.3 Ų36.311%0.1122%0.221CC..EExtended strand (participates in β ladder)trans-111154.3171.1-63.114000110.8F8 V13 H16 V30 C31 D32 G54 V116F8-W23 HydrophobicContact CD1-CH2 4.46Å; F8-W23 AromaticContact CD1-CZ3 3.82Å; F8-W23 HydrophobicContact CD1-CZ3 3.82Å; F8-W23 AromaticContact CE1-CH2 3.79Å; F8-W23 HydrophobicContact CE1-CH2 3.79Å; F8-W23 AromaticContact CE1-CZ3 3.59Å; F8-W23 HydrophobicContact CE1-CZ3 3.59Å; F8-W23 HydrophobicContact CG-CZ3 4.4Å; F8-W23 HydrophobicContact CZ-CH2 4.05Å; F8-W23 HydrophobicContact CZ-CZ3 4Å; V13-W23 HydrophobicContact CG1-CB 4.28Å; H16-W23 HydrophobicContact CB-CB 3.64Å; H16-W23 HydrophobicContact CB-CD2 3.9Å; H16-W23 HydrophobicContact CB-CG 3.44Å; H16-W23 VanDerWaalsContact CB-CG 3.44Å; H16-W23 AromaticContact CD2-CD2 3.49Å; H16-W23 VanDerWaalsContact CD2-CD2 3.49Å; H16-W23 AromaticContact CD2-CE2 3.81Å; H16-W23 AromaticContact CD2-CE3 3.48Å; H16-W23 VanDerWaalsContact CD2-CE3 3.48Å; H16-W23 AromaticContact CD2-CZ3 3.81Å; H16-W23 AromaticContact CE1-CE2 3.93Å; H16-W23 AromaticContact CE1-CZ2 3.88Å; H16-W23 AromaticContact CG-CD1 3.89Å; H16-W23 AromaticContact CG-CD2 3.61Å; H16-W23 AromaticContact CG-CE2 3.79Å; H16-W23 AromaticContact CG-CG 3.72Å; H16-W23 AromaticContact CG-NE1 3.9Å; H16-W23 AromaticContact ND1-CE2 3.85Å; H16-W23 AromaticContact ND1-NE1 3.82Å; H16-W23 AromaticContact NE2-CE2 3.91Å; H16-W23 AromaticContact NE2-CE3 3.98Å; H16-W23 AromaticContact NE2-CH2 3.74Å; H16-W23 AromaticContact NE2-CZ2 3.78Å; H16-W23 AromaticContact NE2-CZ3 3.83Å; H16-W23 PolarHBondContact O-N 3.06Å; W23-V30 HydrophobicContact CD2-CG1 4.33Å; W23-V30 HydrophobicContact CE3-CG1 3.52Å; W23-V30 HydrophobicContact CZ3-CG1 4.02Å; W23-C31 VanDerWaalsContact CA-O 3.26Å; W23-C31 WeakPolarHBondContact CA-O 3.5Å; W23-D32 HydrophobicContact CG-CB 4.46Å; W23-G54 WeakPolarHBondContact O-CA 3.36Å; W23-G54 PolarHBondContact O-N 2.94Å; W23-V116 HydrophobicContact CD2-CG2 4.42Å; W23-V116 HydrophobicContact CE3-CG2 4.16Å; W23-V116 HydrophobicContact CH2-CG2 4.06Å; W23-V116 HydrophobicContact CZ2-CG2 4.32Å; W23-V116 HydrophobicContact CZ3-CG2 3.98Å
24V98Very high96.6Very high0 Ų036.7 Ų36.70%022%0.223CC..EExtended strand (participates in β ladder)trans-138153.4169.2-62.90000108.8L22 F26 C31 L33 I57L22-V24 HydrophobicContact CD2-CG1 3.99Å; V24-F26 HydrophobicContact CG2-CD1 4.2Å; V24-F26 HydrophobicContact CG2-CE1 4.39Å; V24-C31 HydrophobicContact CG2-CB 4.42Å; V24-C31 PolarHBondContact N-O 2.68Å; V24-C31 PolarHBondContact O-N 2.87Å; V24-L33 HydrophobicContact CG1-CD1 4.29Å; V24-L33 HydrophobicContact CG2-CD1 3.54Å; V24-L33 HydrophobicContact CG2-CG 4.02Å; V24-I57 HydrophobicContact CB-CD1 4.04Å; V24-I57 HydrophobicContact CB-CG1 4.31Å; V24-I57 HydrophobicContact CG1-CD1 4.37Å; V24-I57 HydrophobicContact CG2-CD1 3.86Å; V24-I57 HydrophobicContact CG2-CG1 4.46Å
25S98Very high96.5Very high4 Ų437.6 Ų37.63%0.02823%0.225CC..EExtended strand (participates in β ladder)trans-109.6144.6167.359.10000111.3K29 K55 D56 I57S25-K29 CarbonylContact C-O 3.53Å; S25-K29 WeakPolarHBondContact CA-O 3.43Å; S25-K29 WeakPolarHBondContact CB-O 3.41Å; S25-K55 PolarHBondContact N-O 2.79Å; S25-K55 VanDerWaalsContact N-O 3.08Å; S25-D56 CarbonylContact O-C 3.58Å; S25-D56 WeakPolarHBondContact O-CA 3.42Å; S25-D56 VanDerWaalsContact OG-CA 3.25Å; S25-D56 WeakPolarHBondContact OG-CA 3.2Å; S25-D56 WeakPolarHBondContact OG-CB 3.31Å; S25-I57 WeakPolarHBondContact O-CG1 3.15Å; S25-I57 PolarHBondContact O-N 3.35Å
26F97.3Very high96.4Very high8 Ų834.3 Ų34.34%0.03520%0.202CC..EExtended strand (participates in β ladder)trans-158.2138.817159.9-83.4000111.5V24 G28 K29 C31 I57 S58 F61 W108 W109V24-F26 HydrophobicContact CG2-CD1 4.2Å; V24-F26 HydrophobicContact CG2-CE1 4.39Å; F26-G28 PolarHBondContact O-N 2.89Å; F26-G28 VanDerWaalsContact O-N 3.14Å; F26-K29 PolarHBondContact N-O 2.88Å; F26-K29 WeakPolarHBondContact O-CB 3.14Å; F26-K29 PolarHBondContact O-N 2.83Å; F26-C31 HydrophobicContact CE1-CB 3.94Å; F26-C31 WeakPolarHBondContact CE1-SG 3.39Å; F26-I57 HydrophobicContact CB-CG1 3.86Å; F26-I57 HydrophobicContact CD1-CD1 4.35Å; F26-I57 HydrophobicContact CD1-CG1 4.3Å; F26-I57 HydrophobicContact CG-CG1 4.44Å; F26-S58 WeakPolarHBondContact CA-OG 3.28Å; F26-F61 HydrophobicContact CB-CD2 3.95Å; F26-F61 HydrophobicContact CB-CE2 3.9Å; F26-F61 HydrophobicContact CD2-CD2 4.12Å; F26-F61 AromaticContact CD2-CE2 3.96Å; F26-F61 HydrophobicContact CD2-CE2 3.96Å; F26-F61 HydrophobicContact CD2-CZ 4.28Å; F26-F61 HydrophobicContact CG-CD2 4.24Å; F26-F61 AromaticContact CG-CE2 3.89Å; F26-F61 HydrophobicContact CG-CE2 3.89Å; F26-F61 HydrophobicContact CG-CZ 4.49Å; F26-W108 HydrophobicContact CD1-CZ3 4.47Å; F26-W108 HydrophobicContact CE1-CH2 4.5Å; F26-W108 AromaticContact CE1-CZ3 3.78Å; F26-W108 HydrophobicContact CE1-CZ3 3.78Å; F26-W108 HydrophobicContact CZ-CZ3 4.15Å; F26-W109 HydrophobicContact CE2-CB 4.26Å; F26-W109 HydrophobicContact CZ-CB 4.24Å
27L95.9Very high96.3Very high59 Ų5933.2 Ų33.231%0.30920%0.197SC..THydrogen-bonded Turntrans49.639.7179.6-55.7-178.8000112.5K29 S58 F61 P63 R66L27-K29 VanDerWaalsContact C-N 3.29Å; L27-K29 PolarHBondContact O-N 3.33Å; L27-S58 PolarHBondContact N-OG 2.92Å; L27-F61 HydrophobicContact CD1-CB 3.85Å; L27-F61 HydrophobicContact CD1-CG 4.49Å; L27-F61 HydrophobicContact CD2-CB 4.32Å; L27-F61 HydrophobicContact CG-CB 4.13Å; L27-P63 HydrophobicContact CD2-CB 4.38Å; L27-P63 HydrophobicContact CD2-CG 4.35Å; L27-R66 HydrophobicContact CD1-CB 4.27Å; L27-R66 HydrophobicContact CD1-CG 4.24Å
28G95.3Very high96.3Very high34 Ų3434 Ų3435%0.35120%0.201SC..THydrogen-bonded Turntrans77.44.1-179.500000115.4F26 L118 L119F26-G28 PolarHBondContact O-N 2.89Å; F26-G28 VanDerWaalsContact O-N 3.14Å; G28-L118 CarbonylContact O-C 3.57Å; G28-L118 WeakPolarHBondContact O-CA 3.46Å; G28-L119 PolarHBondContact O-N 3.41Å
29K96.8Very high96.2Very high62 Ų6237.2 Ų37.227%0.2721%0.211SC..EExtended strand (participates in β ladder)trans-99.7151.5175.4-60.1-178.9170.9-150.30111S25 F26 L27 E115S25-K29 CarbonylContact C-O 3.53Å; S25-K29 WeakPolarHBondContact CA-O 3.43Å; S25-K29 WeakPolarHBondContact CB-O 3.41Å; F26-K29 PolarHBondContact N-O 2.88Å; F26-K29 WeakPolarHBondContact O-CB 3.14Å; F26-K29 PolarHBondContact O-N 2.83Å; L27-K29 VanDerWaalsContact C-N 3.29Å; L27-K29 PolarHBondContact O-N 3.33Å; K29-E115 WeakPolarHBondContact CE-OE2 3.45Å; K29-E115 IonicContact NZ-OE2 3.34Å; K29-E115 PolarHBondContact NZ-OE2 2.77Å
30V97.8Very high96.2Very high0 Ų036 Ų360%020%0.198CC..EExtended strand (participates in β ladder)trans-112.8127.5168.1-176.70000108.7F8 V13 W23 V116 G117 L119F8-V30 HydrophobicContact CB-CG2 4.1Å; F8-V30 HydrophobicContact CD2-CB 4.23Å; F8-V30 HydrophobicContact CD2-CG1 4.47Å; F8-V30 HydrophobicContact CD2-CG2 4.15Å; F8-V30 HydrophobicContact CG-CG2 4.43Å; V13-V30 HydrophobicContact CG2-CB 4.47Å; V13-V30 HydrophobicContact CG2-CG1 3.79Å; V13-V30 HydrophobicContact CG2-CG2 3.76Å; W23-V30 HydrophobicContact CD2-CG1 4.33Å; W23-V30 HydrophobicContact CE3-CG1 3.52Å; W23-V30 HydrophobicContact CZ3-CG1 4.02Å; V30-V116 HydrophobicContact CB-CG2 4.01Å; V30-V116 HydrophobicContact CG1-CG2 3.62Å; V30-V116 WeakPolarHBondContact O-CG2 3.31Å; V30-V116 PolarHBondContact O-N 3.01Å; V30-G117 PolarHBondContact N-O 3Å; V30-L119 HydrophobicContact CG2-CB 3.99Å; V30-L119 HydrophobicContact CG2-CD1 4.35Å
31C97.6Very high96.1Very high4 Ų438.6 Ų38.63%0.02721%0.208CC..EExtended strand (participates in β ladder)trans-123.8130.8-178.6-69.60000111.8W23 V24 F26 L33 Y114W23-C31 VanDerWaalsContact CA-O 3.26Å; W23-C31 WeakPolarHBondContact CA-O 3.5Å; V24-C31 HydrophobicContact CG2-CB 4.42Å; V24-C31 PolarHBondContact N-O 2.68Å; V24-C31 PolarHBondContact O-N 2.87Å; F26-C31 HydrophobicContact CE1-CB 3.94Å; F26-C31 WeakPolarHBondContact CE1-SG 3.39Å; C31-L33 HydrophobicContact CB-CD2 4.22Å; C31-Y114 CarbonylContact C-O 3.03Å; C31-Y114 WeakPolarHBondContact CA-O 3.37Å
32D97.6Very high95.7Very high41 Ų4139.6 Ų39.622%0.21923%0.232CC..EExtended strand (participates in β ladder)trans-86.5107.3168.5176.710.1000109.2W23 T34 Y114 V116W23-D32 HydrophobicContact CG-CB 4.46Å; D32-T34 WeakPolarHBondContact OD1-CB 3.2Å; D32-T34 PolarHBondContact OD1-N 3.17Å; D32-T34 PolarHBondContact OD1-OG1 2.83Å; D32-Y114 PolarHBondContact N-O 3.42Å; D32-Y114 VanDerWaalsContact O-CD1 3.31Å; D32-Y114 WeakPolarHBondContact O-CD1 3.44Å; D32-V116 HydrophobicContact CB-CG1 3.64Å
33L97.3Very high95.5Very high0 Ų042.4 Ų42.40%025%0.247CC..  trans-97.18.1179.3-58.5-174.7000112.5L22 V24 C31 P35 L36 M37 I49 W108 Y114L22-L33 HydrophobicContact CD2-CB 3.78Å; L22-L33 HydrophobicContact CD2-CD1 4.21Å; L22-L33 HydrophobicContact CD2-CG 4.39Å; L22-L33 PolarHBondContact O-N 3.37Å; V24-L33 HydrophobicContact CG1-CD1 4.29Å; V24-L33 HydrophobicContact CG2-CD1 3.54Å; V24-L33 HydrophobicContact CG2-CG 4.02Å; C31-L33 HydrophobicContact CB-CD2 4.22Å; L33-P35 VanDerWaalsContact C-CD 3.41Å; L33-P35 VanDerWaalsContact C-N 3.3Å; L33-L36 HydrophobicContact CB-CB 4.38Å; L33-L36 HydrophobicContact CD2-CD2 4.41Å; L33-L36 WeakPolarHBondContact O-CA 3.23Å; L33-L36 VanDerWaalsContact O-CB 3.3Å; L33-L36 WeakPolarHBondContact O-CB 3.3Å; L33-L36 PolarHBondContact O-N 2.93Å; L33-M37 PolarHBondContact O-N 3.41Å; L33-I49 HydrophobicContact CD1-CG2 3.73Å; L33-W108 HydrophobicContact CD1-CE3 4.04Å; L33-W108 HydrophobicContact CD1-CH2 4.18Å; L33-W108 HydrophobicContact CD1-CZ3 3.83Å; L33-W108 HydrophobicContact CD2-CD2 4.36Å; L33-W108 HydrophobicContact CD2-CE3 3.6Å; L33-W108 HydrophobicContact CD2-CZ3 4.02Å; L33-W108 HydrophobicContact CG-CE3 4.49Å; L33-Y114 HydrophobicContact CD2-CD1 4.21Å; L33-Y114 HydrophobicContact CD2-CG 4.05Å
34T96.9Very high95.2Very high9 Ų946.1 Ų46.16%0.05527%0.273CS..Hα-helixtrans-52.4-41.9174.5-52.60000112.9G20 D21 L22 D32 L36 M37 K38G20-T34 WeakPolarHBondContact O-CG2 3.37Å; D21-T34 WeakPolarHBondContact CA-OG1 3.46Å; L22-T34 PolarHBondContact N-OG1 3.17Å; L22-T34 PolarHBondContact O-N 2.93Å; D32-T34 WeakPolarHBondContact OD1-CB 3.2Å; D32-T34 PolarHBondContact OD1-N 3.17Å; D32-T34 PolarHBondContact OD1-OG1 2.83Å; T34-L36 VanDerWaalsContact C-N 3.32Å; T34-L36 PolarHBondContact O-N 2.98Å; T34-M37 PolarHBondContact O-N 3.14Å; T34-K38 HydrophobicContact CG2-CD 4.48Å; T34-K38 WeakPolarHBondContact O-CG 3.49Å; T34-K38 PolarHBondContact O-N 2.8Å; T34-K38 VanDerWaalsContact O-N 3.07Å
35P96.1Very high94.9Very high64 Ų6447.2 Ų47.242%0.41628%0.279SS..Hα-helixtrans-66.2-34176.1-17.831.6000112.7L33 K38 Q39 Y114L33-P35 VanDerWaalsContact C-CD 3.41Å; L33-P35 VanDerWaalsContact C-N 3.3Å; P35-K38 PolarHBondContact O-N 3.47Å; P35-Q39 WeakPolarHBondContact O-CB 3.37Å; P35-Q39 PolarHBondContact O-N 3.44Å; P35-Y114 HydrophobicContact CB-CE1 4.17Å; P35-Y114 HydrophobicContact CG-CE1 4.49Å
36L95Very high94.8Very high0 Ų047.4 Ų47.40%028%0.279CS..Hα-helixtrans-66.7-43.2176.1-171.673.5000110.9L33 T34 K38 Q39 H40 I49 V89 W108 Y114L33-L36 HydrophobicContact CB-CB 4.38Å; L33-L36 HydrophobicContact CD2-CD2 4.41Å; L33-L36 WeakPolarHBondContact O-CA 3.23Å; L33-L36 VanDerWaalsContact O-CB 3.3Å; L33-L36 WeakPolarHBondContact O-CB 3.3Å; L33-L36 PolarHBondContact O-N 2.93Å; T34-L36 VanDerWaalsContact C-N 3.32Å; T34-L36 PolarHBondContact O-N 2.98Å; L36-K38 VanDerWaalsContact C-N 3.3Å; L36-K38 PolarHBondContact O-N 3.31Å; L36-Q39 PolarHBondContact O-N 3.31Å; L36-H40 PolarHBondContact O-N 3.07Å; L36-I49 HydrophobicContact CD2-CD1 4.2Å; L36-V89 HydrophobicContact CD1-CG1 4.1Å; L36-W108 HydrophobicContact CD1-CB 4.12Å; L36-W108 HydrophobicContact CD2-CB 3.93Å; L36-W108 HydrophobicContact CD2-CD2 4.13Å; L36-W108 HydrophobicContact CD2-CG 3.67Å; L36-Y114 HydrophobicContact CB-CE1 3.99Å
37M94.9Very high94.6Very high16 Ų1651.3 Ų51.38%0.07930%0.3CS..Hα-helixtrans-58.8-41.6174.7-69.2-59.8-62.700111.9L22 L33 T34 S41 L46 M50L22-M37 HydrophobicContact CB-CG 4.22Å; L22-M37 HydrophobicContact CD1-CE 4.39Å; L22-M37 HydrophobicContact CD1-CG 3.96Å; L22-M37 HydrophobicContact CD1-SD 3.91Å; L33-M37 PolarHBondContact O-N 3.41Å; T34-M37 PolarHBondContact O-N 3.14Å; M37-S41 WeakPolarHBondContact O-CA 3.41Å; M37-S41 PolarHBondContact O-N 2.66Å; M37-L46 HydrophobicContact CE-CB 4.13Å; M37-L46 HydrophobicContact CE-CD1 3.89Å; M37-L46 HydrophobicContact CE-CG 4.48Å; M37-L46 HydrophobicContact SD-CB 4.07Å; M37-L46 HydrophobicContact SD-CD1 3.9Å; M37-L46 HydrophobicContact SD-CD2 3.7Å; M37-L46 HydrophobicContact SD-CG 4.12Å; M37-M50 HydrophobicContact CE-CB 4.37Å; M37-M50 HydrophobicContact CE-SD 4.29Å
38K94.8Very high94.6Very high146 Ų14648.9 Ų48.964%0.63529%0.288SS*.Hα-helixtrans-67.3-42.8177.1-72.8173.9-178.9171.80112.2T34 P35 L36 H40T34-K38 HydrophobicContact CG2-CD 4.48Å; T34-K38 WeakPolarHBondContact O-CG 3.49Å; T34-K38 PolarHBondContact O-N 2.8Å; T34-K38 VanDerWaalsContact O-N 3.07Å; P35-K38 PolarHBondContact O-N 3.47Å; L36-K38 VanDerWaalsContact C-N 3.3Å; L36-K38 PolarHBondContact O-N 3.31Å; K38-H40 PolarHBondContact O-N 2.88Å
39Q93.6Very high94.6Very high130 Ų13047.3 Ų47.361%0.60727%0.271SS*.Hα-helixtrans-64.7-38.4-179.1-179.8179.7-2200112.6P35 L36P35-Q39 WeakPolarHBondContact O-CB 3.37Å; P35-Q39 PolarHBondContact O-N 3.44Å; L36-Q39 PolarHBondContact O-N 3.31Å
40H91.3Very high94.5Very high42 Ų4248.5 Ų48.519%0.19428%0.279CS..THydrogen-bonded Turntrans-106.226.4-177.4-67.1-89.8000112.7L36 K38 G42 D43 L46 V89L36-H40 PolarHBondContact O-N 3.07Å; K38-H40 PolarHBondContact O-N 2.88Å; H40-G42 PolarHBondContact O-N 3.5Å; H40-D43 HydrophobicContact CB-CB 4.18Å; H40-D43 WeakPolarHBondContact O-CB 3.45Å; H40-D43 PolarHBondContact O-N 2.8Å; H40-L46 HydrophobicContact CB-CD1 3.8Å; H40-L46 HydrophobicContact CB-CD2 4.05Å; H40-L46 HydrophobicContact CB-CG 3.96Å; H40-L46 WeakPolarHBondContact O-CD1 3.42Å; H40-V89 HydrophobicContact CB-CG2 4.34Å
41S91.9Very high94.3Very high104 Ų10453.2 Ų53.273%0.72730%0.301SS*.THydrogen-bonded Turntrans-54127.5-174.9-1750000112.1M37 D43M37-S41 WeakPolarHBondContact O-CA 3.41Å; M37-S41 PolarHBondContact O-N 2.66Å; S41-D43 VanDerWaalsContact C-N 3.33Å
42G88.8Confident94.2Very high79 Ų7953.4 Ų53.481%0.81430%0.302SS*.THydrogen-bonded Turntrans84.1-3.2-177.100000115.3H40H40-G42 PolarHBondContact O-N 3.5Å
43D91.9Very high94.2Very high60 Ų6052 Ų5232%0.32130%0.296SS..  trans-76.4128.1174.1-167.3-16.4000111.1H40 S41 L45 L46H40-D43 HydrophobicContact CB-CB 4.18Å; H40-D43 WeakPolarHBondContact O-CB 3.45Å; H40-D43 PolarHBondContact O-N 2.8Å; S41-D43 VanDerWaalsContact C-N 3.33Å; D43-L45 PolarHBondContact O-N 2.84Å; D43-L45 VanDerWaalsContact O-N 3.16Å; D43-L45 WeakPolarHBondContact OD1-CB 3.47Å; D43-L45 WeakPolarHBondContact OD1-CG 3.35Å; D43-L45 PolarHBondContact OD1-N 2.92Å; D43-L46 WeakPolarHBondContact O-CB 3.34Å; D43-L46 PolarHBondContact O-N 2.9Å
44V91.7Very high94.2Very high107 Ų10752.4 Ų52.465%0.64830%0.301SS*.G310 helixtrans-59.5-25.7176.6-178.40000111.5L46 L47V44-L46 PolarHBondContact O-N 2.98Å; V44-L47 HydrophobicContact CG1-CD1 3.77Å; V44-L47 WeakPolarHBondContact O-CB 3.4Å; V44-L47 WeakPolarHBondContact O-CG 3.49Å; V44-L47 PolarHBondContact O-N 2.89Å; V44-L47 VanDerWaalsContact O-N 3.11Å
45L93.3Very high94.2Very high22 Ų2257.3 Ų57.312%0.11532%0.321CS..G310 helixtrans-67.2-11.5176.5-60.4179.9000114D43 R87 F88 V89D43-L45 PolarHBondContact O-N 2.84Å; D43-L45 VanDerWaalsContact O-N 3.16Å; D43-L45 WeakPolarHBondContact OD1-CB 3.47Å; D43-L45 WeakPolarHBondContact OD1-CG 3.35Å; D43-L45 PolarHBondContact OD1-N 2.92Å; L45-R87 HydrophobicContact CD2-CB 4Å; L45-R87 HydrophobicContact CD2-CG 4.08Å; L45-R87 WeakPolarHBondContact CD2-O 3.29Å; L45-F88 WeakPolarHBondContact O-CA 3.39Å; L45-F88 WeakPolarHBondContact O-CB 3.46Å; L45-V89 HydrophobicContact CB-CG2 3.82Å; L45-V89 PolarHBondContact O-N 3.21Å
46L94.2Very high94.3Very high8 Ų858.1 Ų58.14%0.04232%0.322CS..G310 helixtrans-81.1-18.5172.7-69.4177.2000113M37 H40 D43 V44 I49 M50 V89M37-L46 HydrophobicContact CE-CB 4.13Å; M37-L46 HydrophobicContact CE-CD1 3.89Å; M37-L46 HydrophobicContact CE-CG 4.48Å; M37-L46 HydrophobicContact SD-CB 4.07Å; M37-L46 HydrophobicContact SD-CD1 3.9Å; M37-L46 HydrophobicContact SD-CD2 3.7Å; M37-L46 HydrophobicContact SD-CG 4.12Å; H40-L46 HydrophobicContact CB-CD1 3.8Å; H40-L46 HydrophobicContact CB-CD2 4.05Å; H40-L46 HydrophobicContact CB-CG 3.96Å; H40-L46 WeakPolarHBondContact O-CD1 3.42Å; D43-L46 WeakPolarHBondContact O-CB 3.34Å; D43-L46 PolarHBondContact O-N 2.9Å; V44-L46 PolarHBondContact O-N 2.98Å; L46-I49 PolarHBondContact O-N 2.87Å; L46-I49 VanDerWaalsContact O-N 3.11Å; L46-M50 PolarHBondContact O-N 3.37Å; L46-V89 HydrophobicContact CD2-CG2 3.5Å; L46-V89 HydrophobicContact CG-CG2 4.04Å
47L94.1Very high94.3Very high91 Ų9158.2 Ų58.248%0.47632%0.323SS..Hα-helixtrans-56.3-47-174.2-65.4175.2000113.2V44 I49 M50 E51V44-L47 HydrophobicContact CG1-CD1 3.77Å; V44-L47 WeakPolarHBondContact O-CB 3.4Å; V44-L47 WeakPolarHBondContact O-CG 3.49Å; V44-L47 PolarHBondContact O-N 2.89Å; V44-L47 VanDerWaalsContact O-N 3.11Å; L47-I49 VanDerWaalsContact C-N 3.26Å; L47-I49 PolarHBondContact O-N 2.91Å; L47-M50 PolarHBondContact O-N 2.82Å; L47-E51 WeakPolarHBondContact O-CG 3.47Å; L47-E51 PolarHBondContact O-N 2.82Å
48P95.2Very high94.4Very high7 Ų759 Ų595%0.04533%0.33CS..Hα-helixtrans-62.9-33.8180-22.635000113.1C52 W60 F88P48-C52 PolarHBondContact O-SG 3.39Å; P48-W60 HydrophobicContact CB-CH2 4.38Å; P48-F88 HydrophobicContact CB-CB 4.21Å; P48-F88 HydrophobicContact CG-CB 4.17Å
49I95.2Very high94.5Very high1 Ų156.3 Ų56.31%0.00533%0.329CS..Hα-helixtrans-70.7-45.4176.8-64.4169.2000109.7L22 L33 L36 L46 L47 E51 C52 A53 W60 F88 V89 W108L22-I49 HydrophobicContact CD2-CG2 3.91Å; L33-I49 HydrophobicContact CD1-CG2 3.73Å; L36-I49 HydrophobicContact CD2-CD1 4.2Å; L46-I49 PolarHBondContact O-N 2.87Å; L46-I49 VanDerWaalsContact O-N 3.11Å; L47-I49 VanDerWaalsContact C-N 3.26Å; L47-I49 PolarHBondContact O-N 2.91Å; I49-E51 PolarHBondContact O-N 3.37Å; I49-C52 CarbonylContact O-C 3.08Å; I49-C52 PolarHBondContact O-N 3.04Å; I49-A53 PolarHBondContact O-N 3.1Å; I49-A53 VanDerWaalsContact O-N 3.13Å; I49-W60 HydrophobicContact CG1-CZ3 4.38Å; I49-F88 HydrophobicContact CD1-CB 4.22Å; I49-F88 HydrophobicContact CD1-CD2 4.38Å; I49-F88 HydrophobicContact CG1-CB 4.17Å; I49-V89 HydrophobicContact CD1-CB 4.44Å; I49-W108 HydrophobicContact CD1-CZ2 4.26Å
50M95.1Very high94.6Very high88 Ų8851.7 Ų51.743%0.43331%0.306SS..Hα-helixtrans-62.7-38.6179-171173.3178.900112.8M37 L46 L47 C52 A53M37-M50 HydrophobicContact CE-CB 4.37Å; M37-M50 HydrophobicContact CE-SD 4.29Å; L46-M50 PolarHBondContact O-N 3.37Å; L47-M50 PolarHBondContact O-N 2.82Å; M50-C52 PolarHBondContact O-N 2.89Å; M50-A53 VanDerWaalsContact O-CB 3.26Å; M50-A53 WeakPolarHBondContact O-CB 3.43Å; M50-A53 PolarHBondContact O-N 2.73Å
51E94.6Very high94.9Very high99 Ų9949.9 Ų49.946%0.46330%0.298SS..THydrogen-bonded Turntrans-63.2-22.9174.5-73.5179.217900113.6L47 I49 K55 R85L47-E51 WeakPolarHBondContact O-CG 3.47Å; L47-E51 PolarHBondContact O-N 2.82Å; I49-E51 PolarHBondContact O-N 3.37Å; E51-K55 PolarHBondContact O-NZ 2.97Å; E51-R85 IonicContact OE2-CZ 2.68Å; E51-R85 IonicContact OE2-NE 3.71Å; E51-R85 PolarHBondContact OE2-NE 3.31Å; E51-R85 IonicContact OE2-NH2 2.66Å; E51-R85 PolarHBondContact OE2-NH2 3.23Å
52C95.4Very high95Very high8 Ų847.2 Ų47.25%0.05428%0.275CS..THydrogen-bonded Turntrans-107.513.4-180-580000113P48 I49 M50 G54 K55 I57 W60P48-C52 PolarHBondContact O-SG 3.39Å; I49-C52 CarbonylContact O-C 3.08Å; I49-C52 PolarHBondContact O-N 3.04Å; M50-C52 PolarHBondContact O-N 2.89Å; C52-G54 PolarHBondContact O-N 2.84Å; C52-K55 WeakPolarHBondContact O-CB 3.46Å; C52-K55 PolarHBondContact O-N 3.24Å; C52-I57 HydrophobicContact CB-CG2 3.53Å; C52-W60 HydrophobicContact CB-CH2 4.46Å; C52-W60 HydrophobicContact CB-CZ2 4.26Å
53A96.6Very high95.3Very high10 Ų1048 Ų488%0.08327%0.266CS..THydrogen-bonded Turntrans-55.1133.5173.200000110.6F17 L22 I49 M50 K55F17-A53 HydrophobicContact CB-CB 4.28Å; F17-A53 WeakPolarHBondContact O-CB 3.21Å; L22-A53 HydrophobicContact CD1-CB 3.68Å; L22-A53 HydrophobicContact CD2-CB 4.42Å; L22-A53 HydrophobicContact CG-CB 3.67Å; I49-A53 PolarHBondContact O-N 3.1Å; I49-A53 VanDerWaalsContact O-N 3.13Å; M50-A53 VanDerWaalsContact O-CB 3.26Å; M50-A53 WeakPolarHBondContact O-CB 3.43Å; M50-A53 PolarHBondContact O-N 2.73Å; A53-K55 VanDerWaalsContact C-N 3.28Å; A53-K55 PolarHBondContact O-N 3.2Å
54G97.3Very high95.4Very high10 Ų1054.3 Ų54.310%0.10329%0.291CS..THydrogen-bonded Turntrans71.213.9-176.600000115.2V13 A14 W23 C52V13-G54 WeakPolarHBondContact O-CA 3.36Å; A14-G54 VanDerWaalsContact CA-O 3.31Å; A14-G54 WeakPolarHBondContact CA-O 3.43Å; W23-G54 WeakPolarHBondContact O-CA 3.36Å; W23-G54 PolarHBondContact O-N 2.94Å; C52-G54 PolarHBondContact O-N 2.84Å
55K97.3Very high95.5Very high112 Ų11253.3 Ų53.349%0.48729%0.285SS..SBendtrans-119163.3-177.1-58.1179.5-169.31550112.8S25 E51 C52 A53S25-K55 PolarHBondContact N-O 2.79Å; S25-K55 VanDerWaalsContact N-O 3.08Å; E51-K55 PolarHBondContact O-NZ 2.97Å; C52-K55 WeakPolarHBondContact O-CB 3.46Å; C52-K55 PolarHBondContact O-N 3.24Å; A53-K55 VanDerWaalsContact C-N 3.28Å; A53-K55 PolarHBondContact O-N 3.2Å
56D97.3Very high95.5Very high80 Ų8060.7 Ų60.743%0.42831%0.311SS..BIsolated β-bridgetrans-81.8117.9168.3-166.1-36.4000110.7S25 S58S25-D56 CarbonylContact O-C 3.58Å; S25-D56 WeakPolarHBondContact O-CA 3.42Å; S25-D56 VanDerWaalsContact OG-CA 3.25Å; S25-D56 WeakPolarHBondContact OG-CA 3.2Å; S25-D56 WeakPolarHBondContact OG-CB 3.31Å; D56-S58 WeakPolarHBondContact OD1-CA 3.47Å; D56-S58 WeakPolarHBondContact OD1-CB 3.39Å; D56-S58 PolarHBondContact OD1-N 2.93Å; D56-S58 PolarHBondContact OD1-OG 2.7Å
57I96.9Very high95.5Very high3 Ų360.6 Ų60.62%0.01531%0.311CS..  trans-107.720.1178.464173.5000112.4V24 S25 F26 C52 S59 W60 F61 W108V24-I57 HydrophobicContact CB-CD1 4.04Å; V24-I57 HydrophobicContact CB-CG1 4.31Å; V24-I57 HydrophobicContact CG1-CD1 4.37Å; V24-I57 HydrophobicContact CG2-CD1 3.86Å; V24-I57 HydrophobicContact CG2-CG1 4.46Å; S25-I57 WeakPolarHBondContact O-CG1 3.15Å; S25-I57 PolarHBondContact O-N 3.35Å; F26-I57 HydrophobicContact CB-CG1 3.86Å; F26-I57 HydrophobicContact CD1-CD1 4.35Å; F26-I57 HydrophobicContact CD1-CG1 4.3Å; F26-I57 HydrophobicContact CG-CG1 4.44Å; C52-I57 HydrophobicContact CB-CG2 3.53Å; I57-S59 PolarHBondContact O-N 2.97Å; I57-W60 HydrophobicContact CB-CD2 3.95Å; I57-W60 HydrophobicContact CB-CE3 4.25Å; I57-W60 HydrophobicContact CB-CG 4.25Å; I57-W60 HydrophobicContact CB-CZ2 4.49Å; I57-W60 HydrophobicContact CD1-CE3 3.94Å; I57-W60 HydrophobicContact CD1-CZ3 3.99Å; I57-W60 HydrophobicContact CG2-CD2 4.44Å; I57-W60 HydrophobicContact CG2-CH2 4.37Å; I57-W60 HydrophobicContact CG2-CZ2 4.09Å; I57-W60 WeakPolarHBondContact O-CB 3.27Å; I57-W60 PolarHBondContact O-N 3.27Å; I57-F61 HydrophobicContact CD1-CE2 4.11Å; I57-F61 HydrophobicContact CG1-CE2 4.1Å; I57-F61 WeakPolarHBondContact O-CD2 3.39Å; I57-W108 HydrophobicContact CD1-CH2 3.78Å
58S96.9Very high95.6Very high32 Ų3256.3 Ų56.322%0.22429%0.288CS..G310 helixtrans-52.1-31.5176.3-64.10000112.7F26 L27 D56 W60 F61F26-S58 WeakPolarHBondContact CA-OG 3.28Å; L27-S58 PolarHBondContact N-OG 2.92Å; D56-S58 WeakPolarHBondContact OD1-CA 3.47Å; D56-S58 WeakPolarHBondContact OD1-CB 3.39Å; D56-S58 PolarHBondContact OD1-N 2.93Å; D56-S58 PolarHBondContact OD1-OG 2.7Å; S58-W60 PolarHBondContact O-N 2.92Å; S58-W60 VanDerWaalsContact O-N 3.09Å; S58-F61 PolarHBondContact O-N 3.27Å
59S95.5Very high95.6Very high89 Ų8958.8 Ų58.862%0.62230%0.301SS*.G310 helixtrans-60.5-15.7176.662.90000114.4I57 F61 L69I57-S59 PolarHBondContact O-N 2.97Å; S59-F61 VanDerWaalsContact C-N 3.34Å; S59-L69 WeakPolarHBondContact O-CD1 3.4Å
60W96.1Very high95.6Very high33 Ų3364.7 Ų64.713%0.12532%0.323CS..G310 helixtrans-82-17.5176.7-626.5000112.4P48 I49 C52 I57 S58 I68 L69 F88P48-W60 HydrophobicContact CB-CH2 4.38Å; I49-W60 HydrophobicContact CG1-CZ3 4.38Å; C52-W60 HydrophobicContact CB-CH2 4.46Å; C52-W60 HydrophobicContact CB-CZ2 4.26Å; I57-W60 HydrophobicContact CB-CD2 3.95Å; I57-W60 HydrophobicContact CB-CE3 4.25Å; I57-W60 HydrophobicContact CB-CG 4.25Å; I57-W60 HydrophobicContact CB-CZ2 4.49Å; I57-W60 HydrophobicContact CD1-CE3 3.94Å; I57-W60 HydrophobicContact CD1-CZ3 3.99Å; I57-W60 HydrophobicContact CG2-CD2 4.44Å; I57-W60 HydrophobicContact CG2-CH2 4.37Å; I57-W60 HydrophobicContact CG2-CZ2 4.09Å; I57-W60 WeakPolarHBondContact O-CB 3.27Å; I57-W60 PolarHBondContact O-N 3.27Å; S58-W60 PolarHBondContact O-N 2.92Å; S58-W60 VanDerWaalsContact O-N 3.09Å; W60-I68 CarbonylContact O-C 3.39Å; W60-I68 WeakPolarHBondContact O-CA 3.35Å; W60-I68 WeakPolarHBondContact O-CG2 3.47Å; W60-L69 PolarHBondContact O-N 3.23Å; W60-F88 HydrophobicContact CD2-CE1 4.49Å; W60-F88 HydrophobicContact CE3-CD1 4.38Å; W60-F88 AromaticContact CE3-CE1 3.76Å; W60-F88 HydrophobicContact CE3-CE1 3.76Å; W60-F88 AromaticContact CE3-CZ 3.82Å; W60-F88 HydrophobicContact CE3-CZ 3.82Å; W60-F88 HydrophobicContact CZ3-CD1 4.07Å; W60-F88 AromaticContact CZ3-CE1 3.91Å; W60-F88 HydrophobicContact CZ3-CE1 3.91Å; W60-F88 HydrophobicContact CZ3-CE2 4.5Å; W60-F88 HydrophobicContact CZ3-CG 4.42Å; W60-F88 HydrophobicContact CZ3-CZ 4.12Å
61F96.8Very high95.6Very high5 Ų564.1 Ų64.12%0.02232%0.318CS..BIsolated β-bridgetrans-115146.5-167.9-60-84.9000112F26 L27 I57 S58 S59 P63 D67 I68 W108 W109F26-F61 HydrophobicContact CB-CD2 3.95Å; F26-F61 HydrophobicContact CB-CE2 3.9Å; F26-F61 HydrophobicContact CD2-CD2 4.12Å; F26-F61 AromaticContact CD2-CE2 3.96Å; F26-F61 HydrophobicContact CD2-CE2 3.96Å; F26-F61 HydrophobicContact CD2-CZ 4.28Å; F26-F61 HydrophobicContact CG-CD2 4.24Å; F26-F61 AromaticContact CG-CE2 3.89Å; F26-F61 HydrophobicContact CG-CE2 3.89Å; F26-F61 HydrophobicContact CG-CZ 4.49Å; L27-F61 HydrophobicContact CD1-CB 3.85Å; L27-F61 HydrophobicContact CD1-CG 4.49Å; L27-F61 HydrophobicContact CD2-CB 4.32Å; L27-F61 HydrophobicContact CG-CB 4.13Å; I57-F61 HydrophobicContact CD1-CE2 4.11Å; I57-F61 HydrophobicContact CG1-CE2 4.1Å; I57-F61 WeakPolarHBondContact O-CD2 3.39Å; S58-F61 PolarHBondContact O-N 3.27Å; S59-F61 VanDerWaalsContact C-N 3.34Å; F61-P63 WeakPolarHBondContact O-CD 3.49Å; F61-D67 CarbonylContact C-O 3.59Å; F61-D67 WeakPolarHBondContact CA-O 3.45Å; F61-I68 HydrophobicContact CD1-CG1 4.19Å; F61-I68 HydrophobicContact CE1-CG1 3.84Å; F61-W108 HydrophobicContact CZ-CH2 4.06Å; F61-W108 HydrophobicContact CZ-CZ2 4.49Å; F61-W109 HydrophobicContact CE1-CB 3.55Å; F61-W109 AromaticContact CE1-CD1 3.73Å; F61-W109 HydrophobicContact CE1-CD2 4.19Å; F61-W109 AromaticContact CE1-CG 3.57Å; F61-W109 HydrophobicContact CE1-CG 3.57Å; F61-W109 HydrophobicContact CZ-CB 3.77Å; F61-W109 HydrophobicContact CZ-CG 4.21Å
62D96Very high95.6Very high48 Ų4864.1 Ų64.126%0.25733%0.325SS..  trans-79.2121.7166.4-177.5-32.7000109K64 T65 R66 D67 L69D62-K64 PolarHBondContact O-N 2.89Å; D62-K64 WeakPolarHBondContact OD1-CA 3.37Å; D62-K64 WeakPolarHBondContact OD1-CB 3.43Å; D62-K64 PolarHBondContact OD1-N 2.8Å; D62-T65 WeakPolarHBondContact CB-OG1 3.38Å; D62-T65 PolarHBondContact O-N 2.7Å; D62-T65 PolarHBondContact OD1-N 3.07Å; D62-R66 VanDerWaalsContact O-CA 3.3Å; D62-R66 WeakPolarHBondContact O-CA 3.25Å; D62-R66 PolarHBondContact O-N 2.77Å; D62-D67 PolarHBondContact N-O 3.18Å; D62-L69 HydrophobicContact CB-CD2 3.97Å
63P94.4Very high95.4Very high95 Ų9564.8 Ų64.862%0.61733%0.328SS*.THydrogen-bonded Turntrans-59.5-27.8179.8-24.434.3000114.5L27 F61L27-P63 HydrophobicContact CD2-CB 4.38Å; L27-P63 HydrophobicContact CD2-CG 4.35Å; F61-P63 WeakPolarHBondContact O-CD 3.49Å
64K94.1Very high95.1Very high193 Ų19369.6 Ų69.684%0.83936%0.358SS*.THydrogen-bonded Turntrans-81-50.2-178.3-62.3-179.4-179.5177.30111.5D62D62-K64 PolarHBondContact O-N 2.89Å; D62-K64 WeakPolarHBondContact OD1-CA 3.37Å; D62-K64 WeakPolarHBondContact OD1-CB 3.43Å; D62-K64 PolarHBondContact OD1-N 2.8Å
65T93.8Very high94.8Very high86 Ų8675.3 Ų75.353%0.52839%0.391SS..THydrogen-bonded Turntrans-83.1-20.3-176.671.50000112.4D62 D67D62-T65 WeakPolarHBondContact CB-OG1 3.38Å; D62-T65 PolarHBondContact O-N 2.7Å; D62-T65 PolarHBondContact OD1-N 3.07Å; T65-D67 PolarHBondContact O-N 2.96Å; T65-D67 PolarHBondContact OG1-N 2.91Å
66R93Very high94.4Very high176 Ų17672.9 Ų72.966%0.66439%0.385SS*.  trans55.328.4-171.7-54179.7177.2157.9-3112.3L27 D62L27-R66 HydrophobicContact CD1-CB 4.27Å; L27-R66 HydrophobicContact CD1-CG 4.24Å; D62-R66 VanDerWaalsContact O-CA 3.3Å; D62-R66 WeakPolarHBondContact O-CA 3.25Å; D62-R66 PolarHBondContact O-N 2.77Å
67D94.6Very high94.1Very high6 Ų673.8 Ų73.83%0.03240%0.397CS..SBendtrans-116.7167174.4-15023.4000109F61 D62 T65 L69 R70 Y81 W109 K110F61-D67 CarbonylContact C-O 3.59Å; F61-D67 WeakPolarHBondContact CA-O 3.45Å; D62-D67 PolarHBondContact N-O 3.18Å; T65-D67 PolarHBondContact O-N 2.96Å; T65-D67 PolarHBondContact OG1-N 2.91Å; D67-L69 PolarHBondContact O-N 3.11Å; D67-R70 IonicContact OD2-CZ 2.79Å; D67-R70 IonicContact OD2-NE 2.91Å; D67-R70 IonicContact OD2-NH2 2.83Å; D67-R70 PolarHBondContact OD2-NH2 2.8Å; D67-Y81 PolarHBondContact OD2-OH 2.86Å; D67-W109 PolarHBondContact OD1-NE1 3.12Å; D67-K110 VanDerWaalsContact CG-NZ 3.26Å; D67-K110 WeakPolarHBondContact OD1-CE 3.36Å; D67-K110 IonicContact OD1-NZ 3.32Å; D67-K110 PolarHBondContact OD1-NZ 3.45Å; D67-K110 IonicContact OD2-NZ 3.22Å; D67-K110 PolarHBondContact OD2-NZ 3.29Å
68I95.3Very high93.7Very high2 Ų276.6 Ų76.61%0.0142%0.416CS..BIsolated β-bridgetrans-59.7140.9177.2-59162.4000108.9W60 F61 Y81 F88 T91 W109W60-I68 CarbonylContact O-C 3.39Å; W60-I68 WeakPolarHBondContact O-CA 3.35Å; W60-I68 WeakPolarHBondContact O-CG2 3.47Å; F61-I68 HydrophobicContact CD1-CG1 4.19Å; F61-I68 HydrophobicContact CE1-CG1 3.84Å; I68-Y81 HydrophobicContact CB-CD1 3.76Å; I68-Y81 HydrophobicContact CB-CE1 4.21Å; I68-Y81 HydrophobicContact CB-CG 4.1Å; I68-Y81 HydrophobicContact CD1-CD2 4.25Å; I68-Y81 HydrophobicContact CD1-CE2 4.49Å; I68-Y81 HydrophobicContact CD1-CG 4.37Å; I68-Y81 HydrophobicContact CG2-CD1 4.16Å; I68-Y81 HydrophobicContact CG2-CG 4.18Å; I68-F88 HydrophobicContact CD1-CE1 4.37Å; I68-F88 HydrophobicContact CD1-CE2 3.63Å; I68-F88 HydrophobicContact CD1-CZ 3.32Å; I68-F88 HydrophobicContact CG1-CE2 4.5Å; I68-F88 HydrophobicContact CG1-CZ 3.94Å; I68-T91 HydrophobicContact CD1-CG2 3.44Å; I68-T91 VanDerWaalsContact CD1-CG2 3.44Å; I68-W109 HydrophobicContact CD1-CD2 4.27Å; I68-W109 HydrophobicContact CD1-CE3 4.19Å; I68-W109 HydrophobicContact CD1-CH2 3.42Å; I68-W109 VanDerWaalsContact CD1-CH2 3.42Å; I68-W109 HydrophobicContact CD1-CZ2 3.46Å; I68-W109 VanDerWaalsContact CD1-CZ2 3.46Å; I68-W109 HydrophobicContact CD1-CZ3 3.79Å; I68-W109 HydrophobicContact CG1-CD2 4.42Å; I68-W109 HydrophobicContact CG1-CH2 4.45Å; I68-W109 HydrophobicContact CG1-CZ2 4.09Å
69L96.3Very high93.5Very high58 Ų5881.2 Ų81.230%0.30443%0.434SS..  trans-50.3145.9174-73171.7000110.7S59 W60 D62 D67 Y81 Y82S59-L69 WeakPolarHBondContact O-CD1 3.4Å; W60-L69 PolarHBondContact O-N 3.23Å; D62-L69 HydrophobicContact CB-CD2 3.97Å; D67-L69 PolarHBondContact O-N 3.11Å; L69-Y81 CarbonylContact O-C 3.54Å; L69-Y81 WeakPolarHBondContact O-CA 3.47Å; L69-Y82 WeakPolarHBondContact O-CB 3.41Å; L69-Y82 PolarHBondContact O-N 3.22Å
70R94.9Very high93.3Very high126 Ų12679.7 Ų79.748%0.47542%0.415SS..EExtended strand (participates in β ladder)trans-123.1151.7-179-62.4-179.9-172.3-177.3-1111.2D67 E79 R80 Y81D67-R70 IonicContact OD2-CZ 2.79Å; D67-R70 IonicContact OD2-NE 2.91Å; D67-R70 IonicContact OD2-NH2 2.83Å; D67-R70 PolarHBondContact OD2-NH2 2.8Å; R70-E79 HydrophobicContact CB-CG 4.14Å; R70-E79 WeakPolarHBondContact CD-OE1 3.45Å; R70-E79 IonicContact NE-OE1 2.84Å; R70-E79 IonicContact NH1-OE1 2.67Å; R70-E79 PolarHBondContact NH1-OE1 3.3Å; R70-R80 CarbonylContact C-O 3.44Å; R70-R80 WeakPolarHBondContact CA-O 3.45Å; R70-R80 WeakPolarHBondContact CB-O 3.27Å; R70-Y81 HydrophobicContact CG-CD1 3.8Å; R70-Y81 HydrophobicContact CG-CE1 4.18Å
71F94Very high93.2Very high76 Ų7680.8 Ų80.833%0.33342%0.419SS..EExtended strand (participates in β ladder)trans-140159172.978.9-71.8000110.1D73 E79 R80 Y81 Y82F71-D73 HydrophobicContact CE2-CB 4.34Å; F71-E79 WeakPolarHBondContact O-CA 3.41Å; F71-R80 HydrophobicContact CD1-CB 4.49Å; F71-R80 HydrophobicContact CE1-CB 4.05Å; F71-R80 PolarHBondContact N-O 2.88Å; F71-R80 PolarHBondContact O-N 2.91Å; F71-Y81 WeakPolarHBondContact CE1-O 3.43Å; F71-Y82 AromaticContact CD1-CD2 3.94Å; F71-Y82 HydrophobicContact CD1-CD2 3.94Å; F71-Y82 HydrophobicContact CD1-CG 4.46Å; F71-Y82 HydrophobicContact CE1-CD2 4.4Å; F71-Y82 HydrophobicContact CG-CD2 4.29Å
72V94.9Very high93.1Very high99 Ų9986.2 Ų86.260%0.644%0.44SS*.EExtended strand (participates in β ladder)trans-87.7119.1170.6-179.40000107.8
73D90.7Very high92.9Very high22 Ų2285.9 Ų85.912%0.11844%0.44CS..  trans-63124.5177.4-173.5-87.3000110.3F71 V75 T76 C77 C78 R80F71-D73 HydrophobicContact CE2-CB 4.34Å; D73-V75 PolarHBondContact O-N 3.21Å; D73-V75 WeakPolarHBondContact OD1-CA 3.41Å; D73-V75 WeakPolarHBondContact OD1-CB 3.36Å; D73-V75 PolarHBondContact OD1-N 3.47Å; D73-T76 PolarHBondContact OD1-N 2.95Å; D73-T76 PolarHBondContact OD1-OG1 3.5Å; D73-C77 WeakPolarHBondContact O-CA 3.34Å; D73-C77 PolarHBondContact O-N 3.5Å; D73-C78 PolarHBondContact N-O 2.83Å; D73-R80 IonicContact OD1-NH1 3.2Å; D73-R80 IonicContact OD2-CZ 3.39Å; D73-R80 IonicContact OD2-NH1 3.57Å; D73-R80 PolarHBondContact OD2-NH1 3.06Å
74P92.1Very high92.7Very high110 Ų11085.8 Ų85.871%0.71444%0.439SS*.THydrogen-bonded Turntrans-69.7-18.8-174.327.7-34.8000113.1
75V90.4Very high92.4Very high131 Ų13183.3 Ų83.379%0.79443%0.425SS*.THydrogen-bonded Turntrans-92.3-49.2-178.3-177.40000110.4D73D73-V75 PolarHBondContact O-N 3.21Å; D73-V75 WeakPolarHBondContact OD1-CA 3.41Å; D73-V75 WeakPolarHBondContact OD1-CB 3.36Å; D73-V75 PolarHBondContact OD1-N 3.47Å
76T89.3Confident92.3Very high60 Ų6080.8 Ų80.837%0.36842%0.416SS..THydrogen-bonded Turntrans-94-9.5-176.174.50000113.6D73 C78 R80D73-T76 PolarHBondContact OD1-N 2.95Å; D73-T76 PolarHBondContact OD1-OG1 3.5Å; T76-C78 PolarHBondContact O-N 2.98Å; T76-C78 VanDerWaalsContact O-N 3.08Å; T76-C78 PolarHBondContact O-SG 3.47Å; T76-C78 WeakPolarHBondContact OG1-CB 3.25Å; T76-C78 PolarHBondContact OG1-N 2.79Å; T76-C78 PolarHBondContact OG1-SG 2.62Å; T76-R80 PolarHBondContact OG1-NH2 2.96Å; T76-R80 VanDerWaalsContact OG1-NH2 3.13Å
77C90.3Very high92.3Very high100 Ų10075 Ų7568%0.67640%0.395SS*.  trans5521.2-173.9-62.60000113.8D73D73-C77 WeakPolarHBondContact O-CA 3.34Å; D73-C77 PolarHBondContact O-N 3.5Å
78C89.6Confident92.3Very high62 Ų6275 Ų7542%0.41939%0.394SS..  trans-95.2143178.9-57.60000110.2D73 T76D73-C78 PolarHBondContact N-O 2.83Å; T76-C78 PolarHBondContact O-N 2.98Å; T76-C78 VanDerWaalsContact O-N 3.08Å; T76-C78 PolarHBondContact O-SG 3.47Å; T76-C78 WeakPolarHBondContact OG1-CB 3.25Å; T76-C78 PolarHBondContact OG1-N 2.79Å; T76-C78 PolarHBondContact OG1-SG 2.62Å
79E91.9Very high92.2Very high128 Ų12875 Ų7560%0.59839%0.394SS*.EExtended strand (participates in β ladder)trans-69.3128.6168.7-168.2-175.617400110R70 F71R70-E79 HydrophobicContact CB-CG 4.14Å; R70-E79 WeakPolarHBondContact CD-OE1 3.45Å; R70-E79 IonicContact NE-OE1 2.84Å; R70-E79 IonicContact NH1-OE1 2.67Å; R70-E79 PolarHBondContact NH1-OE1 3.3Å; F71-E79 WeakPolarHBondContact O-CA 3.41Å
80R91.1Very high92Very high57 Ų5773.4 Ų73.422%0.21539%0.385CS..EExtended strand (participates in β ladder)trans-139.2158.6-177.7-67.8-175.8175.1154.51.3111.2R70 F71 D73 T76 S94R70-R80 CarbonylContact C-O 3.44Å; R70-R80 WeakPolarHBondContact CA-O 3.45Å; R70-R80 WeakPolarHBondContact CB-O 3.27Å; F71-R80 HydrophobicContact CD1-CB 4.49Å; F71-R80 HydrophobicContact CE1-CB 4.05Å; F71-R80 PolarHBondContact N-O 2.88Å; F71-R80 PolarHBondContact O-N 2.91Å; D73-R80 IonicContact OD1-NH1 3.2Å; D73-R80 IonicContact OD2-CZ 3.39Å; D73-R80 IonicContact OD2-NH1 3.57Å; D73-R80 PolarHBondContact OD2-NH1 3.06Å; T76-R80 PolarHBondContact OG1-NH2 2.96Å; T76-R80 VanDerWaalsContact OG1-NH2 3.13Å; R80-S94 PolarHBondContact NE-O 2.86Å; R80-S94 PolarHBondContact NH2-O 3.32Å
81Y94.2Very high91.9Very high57 Ų5767.5 Ų67.522%0.22436%0.363CS..EExtended strand (participates in β ladder)trans-66.9137.9168.8-65.8-43.4000111.1D67 I68 L69 R70 F71 T83 T91 P92D67-Y81 PolarHBondContact OD2-OH 2.86Å; I68-Y81 HydrophobicContact CB-CD1 3.76Å; I68-Y81 HydrophobicContact CB-CE1 4.21Å; I68-Y81 HydrophobicContact CB-CG 4.1Å; I68-Y81 HydrophobicContact CD1-CD2 4.25Å; I68-Y81 HydrophobicContact CD1-CE2 4.49Å; I68-Y81 HydrophobicContact CD1-CG 4.37Å; I68-Y81 HydrophobicContact CG2-CD1 4.16Å; I68-Y81 HydrophobicContact CG2-CG 4.18Å; L69-Y81 CarbonylContact O-C 3.54Å; L69-Y81 WeakPolarHBondContact O-CA 3.47Å; R70-Y81 HydrophobicContact CG-CD1 3.8Å; R70-Y81 HydrophobicContact CG-CE1 4.18Å; F71-Y81 WeakPolarHBondContact CE1-O 3.43Å; Y81-T83 PolarHBondContact O-N 2.97Å; Y81-T91 HydrophobicContact CD2-CG2 4.3Å; Y81-P92 HydrophobicContact CD2-CG 4.13Å; Y81-P92 HydrophobicContact CE2-CG 4.01Å
82Y94.2Very high91.7Very high118 Ų11866.9 Ų66.946%0.46337%0.367SS..  trans-84.497.6177-177.3-109000109.8L69 F71 P84L69-Y82 WeakPolarHBondContact O-CB 3.41Å; L69-Y82 PolarHBondContact O-N 3.22Å; F71-Y82 AromaticContact CD1-CD2 3.94Å; F71-Y82 HydrophobicContact CD1-CD2 3.94Å; F71-Y82 HydrophobicContact CD1-CG 4.46Å; F71-Y82 HydrophobicContact CE1-CD2 4.4Å; F71-Y82 HydrophobicContact CG-CD2 4.29Å; Y82-P84 HydrophobicContact CD1-CG 4.24Å; Y82-P84 HydrophobicContact CE1-CB 4.37Å; Y82-P84 HydrophobicContact CE1-CG 3.66Å; Y82-P84 WeakPolarHBondContact O-CD 3.25Å
83T92.9Very high91.5Very high41 Ų4163.3 Ų63.325%0.25235%0.345SS..  trans-12369.7-177.654.10000111.3Y81 R85 G86 F88Y81-T83 PolarHBondContact O-N 2.97Å; T83-R85 PolarHBondContact O-N 3.05Å; T83-G86 WeakPolarHBondContact CB-O 3.49Å; T83-G86 PolarHBondContact O-N 2.82Å; T83-F88 HydrophobicContact CG2-CD1 4.16Å; T83-F88 HydrophobicContact CG2-CE1 3.71Å
84P90.1Very high91.3Very high93 Ų9366.5 Ų66.560%0.60437%0.37SS*.THydrogen-bonded Turntrans-64.3-25-172.326.7-36.4000113.7Y82 G86Y82-P84 HydrophobicContact CD1-CG 4.24Å; Y82-P84 HydrophobicContact CE1-CB 4.37Å; Y82-P84 HydrophobicContact CE1-CG 3.66Å; Y82-P84 WeakPolarHBondContact O-CD 3.25Å; P84-G86 VanDerWaalsContact C-N 3.27Å
85R87.6Confident90.9Very high141 Ų14162.8 Ų62.853%0.53235%0.351SS..THydrogen-bonded Turntrans-88.39.5175.6-60.6-17272134.22.7113.5E51 T83E51-R85 IonicContact OE2-CZ 2.68Å; E51-R85 IonicContact OE2-NE 3.71Å; E51-R85 PolarHBondContact OE2-NE 3.31Å; E51-R85 IonicContact OE2-NH2 2.66Å; E51-R85 PolarHBondContact OE2-NH2 3.23Å; T83-R85 PolarHBondContact O-N 3.05Å
86G90.9Very high90.7Very high34 Ų3463.1 Ų63.135%0.35136%0.356SS..  trans98.6165.2-176.400000113.5T83 P84T83-G86 WeakPolarHBondContact CB-O 3.49Å; T83-G86 PolarHBondContact O-N 2.82Å; P84-G86 VanDerWaalsContact C-N 3.27Å
87R92.8Very high90.5Very high55 Ų5565.5 Ų65.521%0.20836%0.358CS..  trans-68.3139-179.1-164177.275.9127-6.8110.4L45 T91L45-R87 HydrophobicContact CD2-CB 4Å; L45-R87 HydrophobicContact CD2-CG 4.08Å; L45-R87 WeakPolarHBondContact CD2-O 3.29Å; R87-T91 WeakPolarHBondContact CD-O 3.15Å; R87-T91 WeakPolarHBondContact CG-OG1 3.05Å; R87-T91 PolarHBondContact NH1-O 2.91Å
88F94.3Very high90.3Very high5 Ų567.3 Ų67.32%0.02237%0.372CS..  trans-123.5173.6175.557-97.2000112.8L45 P48 I49 W60 I68 T83 H90 T91 W108 W109L45-F88 WeakPolarHBondContact O-CA 3.39Å; L45-F88 WeakPolarHBondContact O-CB 3.46Å; P48-F88 HydrophobicContact CB-CB 4.21Å; P48-F88 HydrophobicContact CG-CB 4.17Å; I49-F88 HydrophobicContact CD1-CB 4.22Å; I49-F88 HydrophobicContact CD1-CD2 4.38Å; I49-F88 HydrophobicContact CG1-CB 4.17Å; W60-F88 HydrophobicContact CD2-CE1 4.49Å; W60-F88 HydrophobicContact CE3-CD1 4.38Å; W60-F88 AromaticContact CE3-CE1 3.76Å; W60-F88 HydrophobicContact CE3-CE1 3.76Å; W60-F88 AromaticContact CE3-CZ 3.82Å; W60-F88 HydrophobicContact CE3-CZ 3.82Å; W60-F88 HydrophobicContact CZ3-CD1 4.07Å; W60-F88 AromaticContact CZ3-CE1 3.91Å; W60-F88 HydrophobicContact CZ3-CE1 3.91Å; W60-F88 HydrophobicContact CZ3-CE2 4.5Å; W60-F88 HydrophobicContact CZ3-CG 4.42Å; W60-F88 HydrophobicContact CZ3-CZ 4.12Å; I68-F88 HydrophobicContact CD1-CE1 4.37Å; I68-F88 HydrophobicContact CD1-CE2 3.63Å; I68-F88 HydrophobicContact CD1-CZ 3.32Å; I68-F88 HydrophobicContact CG1-CE2 4.5Å; I68-F88 HydrophobicContact CG1-CZ 3.94Å; T83-F88 HydrophobicContact CG2-CD1 4.16Å; T83-F88 HydrophobicContact CG2-CE1 3.71Å; F88-H90 PolarHBondContact O-N 3.19Å; F88-T91 HydrophobicContact CD1-CG2 4.26Å; F88-T91 HydrophobicContact CD2-CG2 3.64Å; F88-T91 HydrophobicContact CE1-CG2 4.07Å; F88-T91 HydrophobicContact CE2-CG2 3.41Å; F88-T91 VanDerWaalsContact CE2-CG2 3.41Å; F88-T91 HydrophobicContact CG-CG2 4.08Å; F88-T91 HydrophobicContact CZ-CG2 3.66Å; F88-T91 PolarHBondContact N-OG1 3.32Å; F88-T91 WeakPolarHBondContact O-CB 3.25Å; F88-T91 PolarHBondContact O-N 3.17Å; F88-T91 PolarHBondContact O-OG1 3.34Å; F88-W108 HydrophobicContact CD2-CZ2 4.33Å; F88-W108 AromaticContact CD2-NE1 3.87Å; F88-W108 HydrophobicContact CE2-CZ2 4.02Å; F88-W108 AromaticContact CE2-NE1 3.99Å; F88-W109 HydrophobicContact CD2-CZ3 4.45Å; F88-W109 HydrophobicContact CE2-CE3 4.15Å; F88-W109 AromaticContact CE2-CZ3 3.8Å; F88-W109 HydrophobicContact CE2-CZ3 3.8Å
89V93.4Very high90.1Very high2 Ų269.4 Ų69.41%0.01238%0.379CS..THydrogen-bonded Turntrans-52.2138.1-175.6176.70000111.7L36 H40 L45 L46 I49 T91 W108L36-V89 HydrophobicContact CD1-CG1 4.1Å; H40-V89 HydrophobicContact CB-CG2 4.34Å; L45-V89 HydrophobicContact CB-CG2 3.82Å; L45-V89 PolarHBondContact O-N 3.21Å; L46-V89 HydrophobicContact CD2-CG2 3.5Å; L46-V89 HydrophobicContact CG-CG2 4.04Å; I49-V89 HydrophobicContact CD1-CB 4.44Å; V89-T91 PolarHBondContact O-N 3.27Å; V89-W108 PolarHBondContact O-NE1 3.43Å
90H93.2Very high89.8Confident25 Ų2565.8 Ų65.812%0.11636%0.36CS..THydrogen-bonded Turntrans66.56.6-175.3-55.4156.3000116.4F88 P107 W108 W109F88-H90 PolarHBondContact O-N 3.19Å; H90-P107 HydrophobicContact CB-CB 3.96Å; H90-W108 AromaticContact ND1-CD1 3.75Å; H90-W108 PolarHBondContact ND1-N 3.08Å; H90-W108 VanDerWaalsContact ND1-N 3.2Å; H90-W109 HydrophobicContact CB-CH2 4.04Å; H90-W109 HydrophobicContact CB-CZ3 3.82Å; H90-W109 WeakPolarHBondContact O-CH2 3.33Å
91T92.1Very high89.3Confident2 Ų267.7 Ų67.71%0.01237%0.374CS..PPolyproline II helixtrans-92.8126.2169.961.90000111.8I68 Y81 R87 F88 V89 W100 W109I68-T91 HydrophobicContact CD1-CG2 3.44Å; I68-T91 VanDerWaalsContact CD1-CG2 3.44Å; Y81-T91 HydrophobicContact CD2-CG2 4.3Å; R87-T91 WeakPolarHBondContact CD-O 3.15Å; R87-T91 WeakPolarHBondContact CG-OG1 3.05Å; R87-T91 PolarHBondContact NH1-O 2.91Å; F88-T91 HydrophobicContact CD1-CG2 4.26Å; F88-T91 HydrophobicContact CD2-CG2 3.64Å; F88-T91 HydrophobicContact CE1-CG2 4.07Å; F88-T91 HydrophobicContact CE2-CG2 3.41Å; F88-T91 VanDerWaalsContact CE2-CG2 3.41Å; F88-T91 HydrophobicContact CG-CG2 4.08Å; F88-T91 HydrophobicContact CZ-CG2 3.66Å; F88-T91 PolarHBondContact N-OG1 3.32Å; F88-T91 WeakPolarHBondContact O-CB 3.25Å; F88-T91 PolarHBondContact O-N 3.17Å; F88-T91 PolarHBondContact O-OG1 3.34Å; V89-T91 PolarHBondContact O-N 3.27Å; T91-W100 WeakPolarHBondContact O-CH2 3.41Å; T91-W109 HydrophobicContact CG2-CH2 3.96Å; T91-W109 HydrophobicContact CG2-CZ3 4.2Å
92P90.8Very high88.6Confident63 Ų6371 Ų7141%0.40940%0.401SS..PPolyproline II helixtrans-63.1149.9-179.326.7-34.9000112.2Y81 W100Y81-P92 HydrophobicContact CD2-CG 4.13Å; Y81-P92 HydrophobicContact CE2-CG 4.01Å; P92-W100 VanDerWaalsContact CA-CZ2 3.4Å; P92-W100 HydrophobicContact CB-CZ2 4.06Å
93P90.2Very high88Confident23 Ų2371.6 Ų71.615%0.14941%0.412CS..PPolyproline II helixtrans-64.5159.617329.3-34.3000111.1G95 R97 W100P93-G95 WeakPolarHBondContact CG-O 3.45Å; P93-G95 PolarHBondContact O-N 2.64Å; P93-R97 HydrophobicContact CB-CG 3.91Å; P93-R97 HydrophobicContact CG-CB 4.35Å; P93-R97 HydrophobicContact CG-CG 3.93Å; P93-W100 VanDerWaalsContact CD-CD2 3.47Å; P93-W100 HydrophobicContact CG-CB 4.06Å; P93-W100 HydrophobicContact CG-CD2 4.3Å; P93-W100 HydrophobicContact CG-CG 3.95Å
94S85.8Confident87Confident90 Ų9072.6 Ų72.663%0.62942%0.415SS*.SBendtrans-65.5-23.2179.852.20000113.5R80R80-S94 PolarHBondContact NE-O 2.86Å; R80-S94 PolarHBondContact NH2-O 3.32Å
95G84.6Confident86.7Confident31 Ų3171.4 Ų71.432%0.3242%0.42SS..SBendtrans-140176.8179.200000112.2P93 R97P93-G95 WeakPolarHBondContact CG-O 3.45Å; P93-G95 PolarHBondContact O-N 2.64Å; G95-R97 PolarHBondContact O-N 3.01Å
96P85.1Confident86.8Confident139 Ų13969.8 Ų69.890%0.90342%0.419SS*.  trans-62.9128.7179.227.8-33.9000109.8
97R85.4Confident86.9Confident109 Ų10969.4 Ų69.441%0.41141%0.41SS..  trans-135.1139.3173.1-51.7-161.4-45.2179.714.2109.9P93 G95 D99 W100P93-R97 HydrophobicContact CB-CG 3.91Å; P93-R97 HydrophobicContact CG-CB 4.35Å; P93-R97 HydrophobicContact CG-CG 3.93Å; G95-R97 PolarHBondContact O-N 3.01Å; R97-D99 VanDerWaalsContact C-N 3.26Å; R97-D99 WeakPolarHBondContact CB-OD1 3.39Å; R97-D99 IonicContact CZ-OD1 3.35Å; R97-D99 IonicContact CZ-OD2 2.64Å; R97-D99 IonicContact NE-OD1 3.42Å; R97-D99 PolarHBondContact NE-OD1 3.03Å; R97-D99 IonicContact NE-OD2 2.7Å; R97-D99 VanDerWaalsContact NH2-CG 3.3Å; R97-D99 IonicContact NH2-OD1 3.67Å; R97-D99 PolarHBondContact NH2-OD1 3.27Å; R97-D99 IonicContact NH2-OD2 3.36Å; R97-D99 PolarHBondContact NH2-OD2 3.12Å; R97-W100 HydrophobicContact CB-CB 4.41Å
98S86.6Confident87Confident138 Ų13866.9 Ų66.997%0.96540%0.4SS*.THydrogen-bonded Turntrans-74.5-17.4176.348.70000113.2W100S98-W100 VanDerWaalsContact C-N 3.31Å
99D84.8Confident87Confident107 Ų10767.2 Ų67.257%0.57240%0.402SS*.THydrogen-bonded Turntrans-87.92.7178.874.4-12.5000113.3R97R97-D99 VanDerWaalsContact C-N 3.26Å; R97-D99 WeakPolarHBondContact CB-OD1 3.39Å; R97-D99 IonicContact CZ-OD1 3.35Å; R97-D99 IonicContact CZ-OD2 2.64Å; R97-D99 IonicContact NE-OD1 3.42Å; R97-D99 PolarHBondContact NE-OD1 3.03Å; R97-D99 IonicContact NE-OD2 2.7Å; R97-D99 VanDerWaalsContact NH2-CG 3.3Å; R97-D99 IonicContact NH2-OD1 3.67Å; R97-D99 PolarHBondContact NH2-OD1 3.27Å; R97-D99 IonicContact NH2-OD2 3.36Å; R97-D99 PolarHBondContact NH2-OD2 3.12Å
100W84.9Confident87Confident51 Ų5171.2 Ų71.219%0.19342%0.419CS..  trans-104.5114.4-177.5-179.8-106.6000111.2T91 P92 P93 R97 S98 T102 L104T91-W100 WeakPolarHBondContact O-CH2 3.41Å; P92-W100 VanDerWaalsContact CA-CZ2 3.4Å; P92-W100 HydrophobicContact CB-CZ2 4.06Å; P93-W100 VanDerWaalsContact CD-CD2 3.47Å; P93-W100 HydrophobicContact CG-CB 4.06Å; P93-W100 HydrophobicContact CG-CD2 4.3Å; P93-W100 HydrophobicContact CG-CG 3.95Å; R97-W100 HydrophobicContact CB-CB 4.41Å; S98-W100 VanDerWaalsContact C-N 3.31Å; W100-T102 PolarHBondContact O-N 3.21Å; W100-L104 HydrophobicContact CH2-CD1 3.49Å; W100-L104 VanDerWaalsContact CH2-CD1 3.49Å; W100-L104 HydrophobicContact CZ2-CD1 3.2Å; W100-L104 HydrophobicContact CZ3-CD1 4.37Å
101N81.9Confident87.1Confident97 Ų9770.9 Ų70.952%0.51942%0.418SS..  trans-75.3124.3169.7-173.99.4000109.7D103 L104N101-D103 PolarHBondContact ND2-O 3.23Å; N101-D103 PolarHBondContact OD1-N 3.44Å; N101-L104 HydrophobicContact CB-CD2 4.48Å; N101-L104 WeakPolarHBondContact O-CD1 3.29Å; N101-L104 VanDerWaalsContact O-CG 3.27Å; N101-L104 WeakPolarHBondContact O-CG 3.12Å
102T79.6Confident87.2Confident126 Ų12680.4 Ų80.477%0.77345%0.454SS*.SBendtrans-85-15.3173.843.70000113.4W100 L104W100-T102 PolarHBondContact O-N 3.21Å; T102-L104 VanDerWaalsContact C-N 3.33Å; T102-L104 PolarHBondContact O-N 2.93Å
103D80.5Confident87.4Confident132 Ų13287.2 Ų87.271%0.70647%0.471SS*.  trans-91.365.2177.3-16719.9000111.1N101 G105N101-D103 PolarHBondContact ND2-O 3.23Å; N101-D103 PolarHBondContact OD1-N 3.44Å; D103-G105 VanDerWaalsContact C-N 3.34Å
104L72.6Confident87.6Confident61 Ų6186.9 Ų86.932%0.31947%0.467SS..  trans-89.3-2.5-179.2-63.7168.2000112.8W100 N101 T102 Q106W100-L104 HydrophobicContact CH2-CD1 3.49Å; W100-L104 VanDerWaalsContact CH2-CD1 3.49Å; W100-L104 HydrophobicContact CZ2-CD1 3.2Å; W100-L104 HydrophobicContact CZ3-CD1 4.37Å; N101-L104 HydrophobicContact CB-CD2 4.48Å; N101-L104 WeakPolarHBondContact O-CD1 3.29Å; N101-L104 VanDerWaalsContact O-CG 3.27Å; N101-L104 WeakPolarHBondContact O-CG 3.12Å; T102-L104 VanDerWaalsContact C-N 3.33Å; T102-L104 PolarHBondContact O-N 2.93Å; L104-Q106 PolarHBondContact O-N 3.36Å
105G83.2Confident88.1Confident68 Ų6886 Ų8670%0.70145%0.453SS*.  trans60.5-126.5-168.500000111.6D103D103-G105 VanDerWaalsContact C-N 3.34Å
106Q89.3Confident88.6Confident108 Ų10886.8 Ų86.851%0.50545%0.452SS..SBendtrans-95.1131.3-178-170171.133.500110.8L104 K110L104-Q106 PolarHBondContact O-N 3.36Å; Q106-K110 HydrophobicContact CG-CB 3.72Å; Q106-K110 PolarHBondContact NE2-O 3Å
107P93.8Very high89.1Confident25 Ų2580.8 Ų80.816%0.16241%0.414CS..  trans-64.9155.8175.929.1-36.1000111.1H90 W109 K110 D111H90-P107 HydrophobicContact CB-CB 3.96Å; P107-W109 VanDerWaalsContact C-N 3.27Å; P107-W109 HydrophobicContact CB-CD2 3.72Å; P107-W109 VanDerWaalsContact CB-CE2 3.48Å; P107-W109 HydrophobicContact CB-CE3 3.82Å; P107-W109 HydrophobicContact CB-CH2 3.45Å; P107-W109 VanDerWaalsContact CB-CH2 3.45Å; P107-W109 HydrophobicContact CB-CZ2 3.35Å; P107-W109 HydrophobicContact CB-CZ3 3.7Å; P107-W109 HydrophobicContact CG-CD2 4.2Å; P107-W109 HydrophobicContact CG-CH2 4.33Å; P107-W109 HydrophobicContact CG-CZ2 3.73Å; P107-W109 PolarHBondContact O-N 2.81Å; P107-K110 HydrophobicContact CG-CB 4.17Å; P107-K110 HydrophobicContact CG-CD 3.84Å; P107-K110 HydrophobicContact CG-CG 4.1Å; P107-K110 PolarHBondContact O-N 3.33Å; P107-D111 PolarHBondContact O-N 3.02Å
108W94.4Very high89.7Confident2 Ų279 Ų791%0.00841%0.413CS..G310 helixtrans-65.2-33.4-167.563.9-99.7000111.8F26 L33 L36 I49 I57 F61 F88 V89 H90 K110 D111 Y114F26-W108 HydrophobicContact CD1-CZ3 4.47Å; F26-W108 HydrophobicContact CE1-CH2 4.5Å; F26-W108 AromaticContact CE1-CZ3 3.78Å; F26-W108 HydrophobicContact CE1-CZ3 3.78Å; F26-W108 HydrophobicContact CZ-CZ3 4.15Å; L33-W108 HydrophobicContact CD1-CE3 4.04Å; L33-W108 HydrophobicContact CD1-CH2 4.18Å; L33-W108 HydrophobicContact CD1-CZ3 3.83Å; L33-W108 HydrophobicContact CD2-CD2 4.36Å; L33-W108 HydrophobicContact CD2-CE3 3.6Å; L33-W108 HydrophobicContact CD2-CZ3 4.02Å; L33-W108 HydrophobicContact CG-CE3 4.49Å; L36-W108 HydrophobicContact CD1-CB 4.12Å; L36-W108 HydrophobicContact CD2-CB 3.93Å; L36-W108 HydrophobicContact CD2-CD2 4.13Å; L36-W108 HydrophobicContact CD2-CG 3.67Å; I49-W108 HydrophobicContact CD1-CZ2 4.26Å; I57-W108 HydrophobicContact CD1-CH2 3.78Å; F61-W108 HydrophobicContact CZ-CH2 4.06Å; F61-W108 HydrophobicContact CZ-CZ2 4.49Å; F88-W108 HydrophobicContact CD2-CZ2 4.33Å; F88-W108 AromaticContact CD2-NE1 3.87Å; F88-W108 HydrophobicContact CE2-CZ2 4.02Å; F88-W108 AromaticContact CE2-NE1 3.99Å; V89-W108 PolarHBondContact O-NE1 3.43Å; H90-W108 AromaticContact ND1-CD1 3.75Å; H90-W108 PolarHBondContact ND1-N 3.08Å; H90-W108 VanDerWaalsContact ND1-N 3.2Å; W108-K110 PolarHBondContact O-N 3.12Å; W108-D111 PolarHBondContact O-N 3.35Å; W108-D111 VanDerWaalsContact O-N 3.15Å; W108-Y114 HydrophobicContact CB-CD2 4.18Å; W108-Y114 HydrophobicContact CB-CE2 3.8Å
109W94.9Very high90.2Very high13 Ų1373.7 Ų73.75%0.04937%0.374CS..G310 helixtrans-69.6-11.917858.994.3000114F26 F61 D67 I68 F88 H90 T91 P107F26-W109 HydrophobicContact CE2-CB 4.26Å; F26-W109 HydrophobicContact CZ-CB 4.24Å; F61-W109 HydrophobicContact CE1-CB 3.55Å; F61-W109 AromaticContact CE1-CD1 3.73Å; F61-W109 HydrophobicContact CE1-CD2 4.19Å; F61-W109 AromaticContact CE1-CG 3.57Å; F61-W109 HydrophobicContact CE1-CG 3.57Å; F61-W109 HydrophobicContact CZ-CB 3.77Å; F61-W109 HydrophobicContact CZ-CG 4.21Å; D67-W109 PolarHBondContact OD1-NE1 3.12Å; I68-W109 HydrophobicContact CD1-CD2 4.27Å; I68-W109 HydrophobicContact CD1-CE3 4.19Å; I68-W109 HydrophobicContact CD1-CH2 3.42Å; I68-W109 VanDerWaalsContact CD1-CH2 3.42Å; I68-W109 HydrophobicContact CD1-CZ2 3.46Å; I68-W109 VanDerWaalsContact CD1-CZ2 3.46Å; I68-W109 HydrophobicContact CD1-CZ3 3.79Å; I68-W109 HydrophobicContact CG1-CD2 4.42Å; I68-W109 HydrophobicContact CG1-CH2 4.45Å; I68-W109 HydrophobicContact CG1-CZ2 4.09Å; F88-W109 HydrophobicContact CD2-CZ3 4.45Å; F88-W109 HydrophobicContact CE2-CE3 4.15Å; F88-W109 AromaticContact CE2-CZ3 3.8Å; F88-W109 HydrophobicContact CE2-CZ3 3.8Å; H90-W109 HydrophobicContact CB-CH2 4.04Å; H90-W109 HydrophobicContact CB-CZ3 3.82Å; H90-W109 WeakPolarHBondContact O-CH2 3.33Å; T91-W109 HydrophobicContact CG2-CH2 3.96Å; T91-W109 HydrophobicContact CG2-CZ3 4.2Å; P107-W109 VanDerWaalsContact C-N 3.27Å; P107-W109 HydrophobicContact CB-CD2 3.72Å; P107-W109 VanDerWaalsContact CB-CE2 3.48Å; P107-W109 HydrophobicContact CB-CE3 3.82Å; P107-W109 HydrophobicContact CB-CH2 3.45Å; P107-W109 VanDerWaalsContact CB-CH2 3.45Å; P107-W109 HydrophobicContact CB-CZ2 3.35Å; P107-W109 HydrophobicContact CB-CZ3 3.7Å; P107-W109 HydrophobicContact CG-CD2 4.2Å; P107-W109 HydrophobicContact CG-CH2 4.33Å; P107-W109 HydrophobicContact CG-CZ2 3.73Å; P107-W109 PolarHBondContact O-N 2.81Å
110K94.1Very high90.7Very high86 Ų8669.1 Ų69.137%0.37435%0.35SS..G310 helixtrans-105.5-10.8174.3-67.6179.1176.7159.90112.6D67 Q106 P107 W108D67-K110 VanDerWaalsContact CG-NZ 3.26Å; D67-K110 WeakPolarHBondContact OD1-CE 3.36Å; D67-K110 IonicContact OD1-NZ 3.32Å; D67-K110 PolarHBondContact OD1-NZ 3.45Å; D67-K110 IonicContact OD2-NZ 3.22Å; D67-K110 PolarHBondContact OD2-NZ 3.29Å; Q106-K110 HydrophobicContact CG-CB 3.72Å; Q106-K110 PolarHBondContact NE2-O 3Å; P107-K110 HydrophobicContact CG-CB 4.17Å; P107-K110 HydrophobicContact CG-CD 3.84Å; P107-K110 HydrophobicContact CG-CG 4.1Å; P107-K110 PolarHBondContact O-N 3.33Å; W108-K110 PolarHBondContact O-N 3.12Å
111D94.6Very high91.1Very high18 Ų1871.2 Ų71.210%0.09638%0.378CS..  trans-85.8116.8-177.7-173.8-10.5000111.1P107 W108 R113 Y114P107-D111 PolarHBondContact O-N 3.02Å; W108-D111 PolarHBondContact O-N 3.35Å; W108-D111 VanDerWaalsContact O-N 3.15Å; D111-R113 PolarHBondContact O-N 2.91Å; D111-R113 VanDerWaalsContact OD1-CB 3.28Å; D111-R113 WeakPolarHBondContact OD1-CB 3.34Å; D111-R113 VanDerWaalsContact OD1-CG 3.26Å; D111-R113 WeakPolarHBondContact OD1-CG 3.25Å; D111-R113 PolarHBondContact OD1-N 2.93Å; D111-R113 IonicContact OD1-NE 2.94Å; D111-R113 PolarHBondContact OD1-NE 2.99Å; D111-R113 IonicContact OD2-CZ 2.82Å; D111-R113 IonicContact OD2-NE 2.95Å; D111-R113 PolarHBondContact OD2-NE 3.4Å; D111-R113 IonicContact OD2-NH2 3.72Å; D111-R113 PolarHBondContact OD2-NH2 3.13Å; D111-Y114 HydrophobicContact CB-CD2 3.86Å; D111-Y114 HydrophobicContact CB-CE2 3.91Å; D111-Y114 PolarHBondContact O-N 3.43Å
112R93.7Very high91.7Very high202 Ų20270.1 Ų70.176%0.76237%0.369SS*.G310 helixtrans-68.7-14.6-179.3-71.4-175.2172.1179.7-3.1113.7Y114 E115R112-Y114 PolarHBondContact O-N 3.28Å; R112-E115 WeakPolarHBondContact O-CB 3.36Å; R112-E115 PolarHBondContact O-N 2.85Å; R112-E115 VanDerWaalsContact O-N 3.08Å
113R94.4Very high92.4Very high206 Ų20665.9 Ų65.978%0.77734%0.343SS*.G310 helixtrans-63.5-24.7179-67.1-178.7-65.81731.7112.9D111D111-R113 PolarHBondContact O-N 2.91Å; D111-R113 VanDerWaalsContact OD1-CB 3.28Å; D111-R113 WeakPolarHBondContact OD1-CB 3.34Å; D111-R113 VanDerWaalsContact OD1-CG 3.26Å; D111-R113 WeakPolarHBondContact OD1-CG 3.25Å; D111-R113 PolarHBondContact OD1-N 2.93Å; D111-R113 IonicContact OD1-NE 2.94Å; D111-R113 PolarHBondContact OD1-NE 2.99Å; D111-R113 IonicContact OD2-CZ 2.82Å; D111-R113 IonicContact OD2-NE 2.95Å; D111-R113 PolarHBondContact OD2-NE 3.4Å; D111-R113 IonicContact OD2-NH2 3.72Å; D111-R113 PolarHBondContact OD2-NH2 3.13Å
114Y95.6Very high93.1Very high16 Ų1660.4 Ų60.46%0.06331%0.312CS..G310 helixtrans-86.4-14.4176.2-57.4-68.5000112.9C31 D32 L33 P35 L36 W108 D111 R112 V116C31-Y114 CarbonylContact C-O 3.03Å; C31-Y114 WeakPolarHBondContact CA-O 3.37Å; D32-Y114 PolarHBondContact N-O 3.42Å; D32-Y114 VanDerWaalsContact O-CD1 3.31Å; D32-Y114 WeakPolarHBondContact O-CD1 3.44Å; L33-Y114 HydrophobicContact CD2-CD1 4.21Å; L33-Y114 HydrophobicContact CD2-CG 4.05Å; P35-Y114 HydrophobicContact CB-CE1 4.17Å; P35-Y114 HydrophobicContact CG-CE1 4.49Å; L36-Y114 HydrophobicContact CB-CE1 3.99Å; W108-Y114 HydrophobicContact CB-CD2 4.18Å; W108-Y114 HydrophobicContact CB-CE2 3.8Å; D111-Y114 HydrophobicContact CB-CD2 3.86Å; D111-Y114 HydrophobicContact CB-CE2 3.91Å; D111-Y114 PolarHBondContact O-N 3.43Å; R112-Y114 PolarHBondContact O-N 3.28Å; Y114-V116 PolarHBondContact O-N 3.37Å
115E95.9Very high94.2Very high70 Ų7063.6 Ų63.633%0.32732%0.32SS..EExtended strand (participates in β ladder)trans-74.7119.9-176.6-167.1175138.100110.8K29 R112K29-E115 WeakPolarHBondContact CE-OE2 3.45Å; K29-E115 IonicContact NZ-OE2 3.34Å; K29-E115 PolarHBondContact NZ-OE2 2.77Å; R112-E115 WeakPolarHBondContact O-CB 3.36Å; R112-E115 PolarHBondContact O-N 2.85Å; R112-E115 VanDerWaalsContact O-N 3.08Å
116V95.9Very high94.8Very high49 Ų4960.3 Ų60.330%0.29729%0.286SS..EExtended strand (participates in β ladder)trans-104.8-22.5178.9-64.60000113F8 W23 V30 D32 Y114F8-V116 HydrophobicContact CE2-CG2 4.3Å; W23-V116 HydrophobicContact CD2-CG2 4.42Å; W23-V116 HydrophobicContact CE3-CG2 4.16Å; W23-V116 HydrophobicContact CH2-CG2 4.06Å; W23-V116 HydrophobicContact CZ2-CG2 4.32Å; W23-V116 HydrophobicContact CZ3-CG2 3.98Å; V30-V116 HydrophobicContact CB-CG2 4.01Å; V30-V116 HydrophobicContact CG1-CG2 3.62Å; V30-V116 WeakPolarHBondContact O-CG2 3.31Å; V30-V116 PolarHBondContact O-N 3.01Å; D32-V116 HydrophobicContact CB-CG1 3.64Å; Y114-V116 PolarHBondContact O-N 3.37Å
117G95.6Very high95.1Very high12 Ų1258.9 Ų58.912%0.12428%0.276CS..EExtended strand (participates in β ladder)trans170.7-154.9173.700000112.3V30V30-G117 PolarHBondContact N-O 3Å
118L97Very high95.3Very high71 Ų7157.7 Ų57.737%0.37227%0.269SS..EExtended strand (participates in β ladder)trans-113.3145.1-176-60.2175.2000110.9R6 Y7 F8 G28R6-L118 PolarHBondContact O-N 2.76Å; Y7-L118 CarbonylContact C-O 3.5Å; Y7-L118 VanDerWaalsContact CA-O 3.29Å; Y7-L118 WeakPolarHBondContact CA-O 3.37Å; Y7-L118 HydrophobicContact CD1-CB 3.81Å; Y7-L118 HydrophobicContact CD1-CD1 4.45Å; Y7-L118 HydrophobicContact CE1-CB 3.98Å; Y7-L118 HydrophobicContact CE1-CD1 3.79Å; F8-L118 PolarHBondContact N-O 3.18Å; G28-L118 CarbonylContact O-C 3.57Å; G28-L118 WeakPolarHBondContact O-CA 3.46Å
119L97.1Very high95.4Very high28 Ų2858.9 Ų58.915%0.14728%0.276CS..EExtended strand (participates in β ladder)trans-80.2131.8170-172.974.1000107.5P10 V13 G28 V30 A121P10-L119 HydrophobicContact CG-CD1 4.34Å; V13-L119 HydrophobicContact CG2-CD1 3.92Å; G28-L119 PolarHBondContact O-N 3.41Å; V30-L119 HydrophobicContact CG2-CB 3.99Å; V30-L119 HydrophobicContact CG2-CD1 4.35Å; L119-A121 PolarHBondContact O-N 2.85Å
120S96.5Very high95.4Very high10 Ų1058.4 Ų58.47%0.0727%0.274CS..  trans-60.1138.3175.9-1770000111F8 K122 C142 E144F8-S120 PolarHBondContact O-N 3.03Å; S120-K122 VanDerWaalsContact C-N 3.27Å; S120-K122 VanDerWaalsContact OG-C 3.29Å; S120-K122 PolarHBondContact OG-N 2.55Å; S120-K122 PolarHBondContact OG-O 2.93Å; S120-C142 WeakPolarHBondContact OG-CB 3.39Å; S120-E144 WeakPolarHBondContact CB-OE2 3.44Å; S120-E144 PolarHBondContact OG-OE2 3.09Å
121A93.3Very high95.4Very high95 Ų9556.9 Ų56.979%0.78527%0.273SS*.SBendtrans-70.4-30172.800000111.4L119 E144L119-A121 PolarHBondContact O-N 2.85Å; A121-E144 VanDerWaalsContact CB-OE1 3.25Å; A121-E144 WeakPolarHBondContact CB-OE1 3.41Å; A121-E144 PolarHBondContact N-OE1 3.43Å
122K94Very high95.3Very high75 Ų7561.4 Ų61.433%0.32630%0.296SS..  trans-152.1125.5177.6-171.8177.7-178.6-1680111.4S120 S143 D186 D188S120-K122 VanDerWaalsContact C-N 3.27Å; S120-K122 VanDerWaalsContact OG-C 3.29Å; S120-K122 PolarHBondContact OG-N 2.55Å; S120-K122 PolarHBondContact OG-O 2.93Å; K122-S143 WeakPolarHBondContact O-CB 3.47Å; K122-S143 PolarHBondContact O-N 2.92Å; K122-S143 PolarHBondContact O-OG 3.14Å; K122-D186 VanDerWaalsContact CD-OD2 3.3Å; K122-D186 WeakPolarHBondContact CD-OD2 3.28Å; K122-D186 VanDerWaalsContact CE-OD2 3.23Å; K122-D186 WeakPolarHBondContact CE-OD2 2.94Å; K122-D186 IonicContact NZ-OD1 3.57Å; K122-D186 PolarHBondContact NZ-OD1 3.3Å; K122-D186 IonicContact NZ-OD2 3.96Å; K122-D186 PolarHBondContact NZ-OD2 3.28Å; K122-D188 WeakPolarHBondContact CE-OD2 3.45Å; K122-D188 IonicContact NZ-OD2 3.78Å; K122-D188 PolarHBondContact NZ-OD2 3.22Å
123T94.9Very high95.2Very high37 Ų3754.9 Ų54.923%0.22728%0.279CS..EExtended strand (participates in β ladder)trans-95.6155.2169.764.20000111.3T9 E140 V141T9-T123 HydrophobicContact CG2-CG2 3.78Å; T123-E140 VanDerWaalsContact CB-OE1 3.31Å; T123-E140 WeakPolarHBondContact CB-OE1 3.44Å; T123-E140 PolarHBondContact OG1-OE1 2.66Å; T123-V141 VanDerWaalsContact CA-O 3.27Å; T123-V141 WeakPolarHBondContact CA-O 3.4Å
124R94Very high95.2Very high17 Ų1749.9 Ų49.96%0.06428%0.276CS..EExtended strand (participates in β ladder)trans-146.1154.6175.560.3-176.8-73.4-175.14.5110V141 V184 M185R124-V141 HydrophobicContact CG-CG2 3.8Å; R124-V141 PolarHBondContact N-O 3.2Å; R124-V141 WeakPolarHBondContact O-CG2 3.42Å; R124-V141 PolarHBondContact O-N 2.85Å; R124-V184 PolarHBondContact NH1-O 3.05Å; R124-M185 PolarHBondContact NH1-O 3.13Å; R124-M185 PolarHBondContact NH2-O 3.45Å
125W94.8Very high95.1Very high127 Ų12755 Ų5548%0.48130%0.3SS..EExtended strand (participates in β ladder)trans-88.4143.6172.9-7090.8000110.7L138 L139 E140 V202W125-L138 HydrophobicContact CE3-CB 4.06Å; W125-L138 HydrophobicContact CE3-CD2 4.4Å; W125-L138 HydrophobicContact CZ3-CB 4.07Å; W125-L139 WeakPolarHBondContact CA-O 3.33Å; W125-L139 VanDerWaalsContact CE3-C 3.45Å; W125-E140 HydrophobicContact CD2-CB 4.16Å; W125-E140 HydrophobicContact CE3-CB 4.13Å; W125-E140 HydrophobicContact CH2-CB 3.93Å; W125-E140 HydrophobicContact CZ2-CB 3.94Å; W125-E140 HydrophobicContact CZ2-CG 4.42Å; W125-E140 HydrophobicContact CZ3-CB 4.02Å; W125-V202 HydrophobicContact CB-CG1 3.89Å; W125-V202 HydrophobicContact CB-CG2 4.37Å; W125-V202 WeakPolarHBondContact O-CG1 3.06Å
126I96.4Very high95.1Very high0 Ų056.1 Ų56.10%031%0.305CS..EExtended strand (participates in β ladder)trans-131153.2167.263.1169.9000109.3V128 L138 L139 V141 I150 L179 P203 I205I126-V128 HydrophobicContact CD1-CG2 4.01Å; I126-V128 HydrophobicContact CG1-CG2 4.39Å; I126-L138 WeakPolarHBondContact O-CA 3.48Å; I126-L139 HydrophobicContact CD1-CB 4.49Å; I126-L139 HydrophobicContact CG1-CB 3.96Å; I126-L139 PolarHBondContact N-O 3.12Å; I126-L139 PolarHBondContact O-N 2.86Å; I126-V141 HydrophobicContact CD1-CG1 3.81Å; I126-V141 HydrophobicContact CD1-CG2 4.35Å; I126-V141 HydrophobicContact CG1-CG1 4Å; I126-V141 HydrophobicContact CG1-CG2 4.28Å; I126-V141 HydrophobicContact CG2-CG2 4Å; I126-I150 HydrophobicContact CD1-CG2 3.7Å; I126-L179 HydrophobicContact CG2-CD1 3.74Å; I126-P203 HydrophobicContact CG2-CG 4.25Å; I126-I205 HydrophobicContact CD1-CD1 4.04Å
127R96.5Very high95.1Very high78 Ų7856.7 Ų56.729%0.29431%0.305SS..EExtended strand (participates in β ladder)trans-105.4123170.8-67.9161.765.3-178.57.8108.4E136 L138 V202 P203 A204 I205R127-E136 HydrophobicContact CB-CG 4.49Å; R127-E136 IonicContact CZ-OE1 2.77Å; R127-E136 VanDerWaalsContact CZ-OE1 3.24Å; R127-E136 IonicContact CZ-OE2 3.78Å; R127-E136 VanDerWaalsContact NE-CD 3.29Å; R127-E136 IonicContact NE-OE1 3.31Å; R127-E136 PolarHBondContact NE-OE1 3.12Å; R127-E136 IonicContact NE-OE2 2.83Å; R127-E136 VanDerWaalsContact NH2-CD 3.28Å; R127-E136 IonicContact NH2-OE1 3.1Å; R127-E136 PolarHBondContact NH2-OE1 2.9Å; R127-E136 VanDerWaalsContact NH2-OE1 3.1Å; R127-E136 IonicContact NH2-OE2 2.73Å; R127-E136 PolarHBondContact NH2-OE2 3.21Å; R127-L138 HydrophobicContact CG-CD2 3.55Å; R127-L138 HydrophobicContact CG-CG 4.29Å; R127-V202 HydrophobicContact CG-CB 4.16Å; R127-V202 HydrophobicContact CG-CG1 3.72Å; R127-P203 PolarHBondContact N-O 2.95Å; R127-A204 HydrophobicContact CB-CB 4.36Å; R127-A204 CarbonylContact O-C 3.56Å; R127-A204 WeakPolarHBondContact O-CA 3.15Å; R127-I205 PolarHBondContact O-N 3.16Å
128V97.2Very high95.1Very high0 Ų060.1 Ų60.10%032%0.32CS..EExtended strand (participates in β ladder)trans-103.5115.3173.1-177.40000108.1I126 E136 Q137 L139 Y154 W166 I205 L207I126-V128 HydrophobicContact CD1-CG2 4.01Å; I126-V128 HydrophobicContact CG1-CG2 4.39Å; V128-E136 WeakPolarHBondContact O-CA 3.34Å; V128-Q137 PolarHBondContact N-O 2.93Å; V128-Q137 PolarHBondContact O-N 3.23Å; V128-L139 HydrophobicContact CG2-CD1 3.86Å; V128-L139 HydrophobicContact CG2-CG 4.46Å; V128-Y154 HydrophobicContact CB-CD2 4.06Å; V128-Y154 HydrophobicContact CB-CE2 3.91Å; V128-Y154 HydrophobicContact CG1-CD1 4.43Å; V128-Y154 HydrophobicContact CG1-CD2 3.89Å; V128-Y154 HydrophobicContact CG1-CE1 4.2Å; V128-Y154 HydrophobicContact CG1-CE2 3.6Å; V128-Y154 HydrophobicContact CG1-CG 4.28Å; V128-Y154 HydrophobicContact CG2-CD2 4.4Å; V128-W166 HydrophobicContact CG1-CH2 4.05Å; V128-W166 HydrophobicContact CG1-CZ3 4.18Å; V128-W166 HydrophobicContact CG2-CH2 4.19Å; V128-W166 HydrophobicContact CG2-CZ3 3.96Å; V128-I205 WeakPolarHBondContact CA-O 3.39Å; V128-L207 HydrophobicContact CG1-CD1 3.47Å; V128-L207 VanDerWaalsContact CG1-CD1 3.47Å; V128-L207 HydrophobicContact CG1-CD2 3.92Å; V128-L207 HydrophobicContact CG1-CG 3.59Å
129V97.1Very high95.1Very high27 Ų2757.5 Ų57.516%0.16431%0.306CS..EExtended strand (participates in β ladder)trans-112.6116.4-174.5-175.80000109.4T131 Q135 E136 A204 I205 L206 L207V129-T131 PolarHBondContact O-N 3.06Å; V129-Q135 WeakPolarHBondContact CA-O 3.48Å; V129-E136 HydrophobicContact CG2-CB 4.37Å; V129-E136 HydrophobicContact CG2-CG 4.07Å; V129-A204 HydrophobicContact CG2-CB 4.49Å; V129-I205 PolarHBondContact N-O 2.93Å; V129-L206 HydrophobicContact CB-CD2 3.87Å; V129-L206 HydrophobicContact CG1-CD2 4.36Å; V129-L206 HydrophobicContact CG2-CD2 4.4Å; V129-L206 WeakPolarHBondContact O-CA 3.44Å; V129-L207 PolarHBondContact O-N 3.07Å
130N95.1Very high95Very high2 Ų258.1 Ų58.11%0.01131%0.308CS..EExtended strand (participates in β ladder)trans-77.9112.5171-175.1-31.3000109.4L132 T133 S134 Q135 Y164N130-L132 VanDerWaalsContact C-N 3.27Å; N130-L132 PolarHBondContact O-N 3.08Å; N130-L132 WeakPolarHBondContact OD1-CB 3.17Å; N130-L132 PolarHBondContact OD1-N 3.45Å; N130-T133 WeakPolarHBondContact CB-OG1 3.3Å; N130-T133 VanDerWaalsContact CG-OG1 3.27Å; N130-T133 PolarHBondContact OD1-N 3.44Å; N130-S134 WeakPolarHBondContact O-CA 3.5Å; N130-S134 PolarHBondContact O-N 3.06Å; N130-Q135 PolarHBondContact N-O 2.79Å; N130-Y164 WeakPolarHBondContact ND2-CE1 3.39Å; N130-Y164 PolarHBondContact ND2-OH 2.75Å
131T94.1Very high95Very high55 Ų5557.7 Ų57.734%0.33731%0.305SS..THydrogen-bonded Turntrans-73.8-19.7-175.665.80000113.2V129 L206 L207 Y208V129-T131 PolarHBondContact O-N 3.06Å; T131-L206 HydrophobicContact CG2-CB 3.98Å; T131-L206 HydrophobicContact CG2-CD2 4.4Å; T131-L207 PolarHBondContact N-O 3.17Å; T131-L207 PolarHBondContact OG1-O 2.81Å; T131-Y208 HydrophobicContact CG2-CE1 4.19Å; T131-Y208 HydrophobicContact CG2-CE2 4.24Å
132L92.3Very high95.1Very high112 Ų11253.2 Ų53.259%0.58627%0.268SS*.THydrogen-bonded Turntrans-77.4-44177.3179.664000111.2N130 F209N130-L132 VanDerWaalsContact C-N 3.27Å; N130-L132 PolarHBondContact O-N 3.08Å; N130-L132 WeakPolarHBondContact OD1-CB 3.17Å; N130-L132 PolarHBondContact OD1-N 3.45Å; L132-F209 HydrophobicContact CB-CB 4.46Å; L132-F209 HydrophobicContact CD2-CB 3.93Å; L132-F209 HydrophobicContact CD2-CD1 4.26Å; L132-F209 HydrophobicContact CD2-CG 4Å
133T92.3Very high95.1Very high66 Ų6651 Ų5141%0.40526%0.262SS..THydrogen-bonded Turntrans-99.3-8.5-176.163.90000113.7N130 Q135N130-T133 WeakPolarHBondContact CB-OG1 3.3Å; N130-T133 VanDerWaalsContact CG-OG1 3.27Å; N130-T133 PolarHBondContact OD1-N 3.44Å; T133-Q135 PolarHBondContact O-N 3.41Å; T133-Q135 WeakPolarHBondContact OG1-CB 3.41Å; T133-Q135 WeakPolarHBondContact OG1-CG 3.34Å; T133-Q135 PolarHBondContact OG1-N 3.41Å; T133-Q135 PolarHBondContact OG1-OE1 3.36Å; T133-Q135 VanDerWaalsContact OG1-OE1 3.1Å
134S93.1Very high95.1Very high101 Ų10151.7 Ų51.771%0.70626%0.262SS*.  trans57.417.7-169.9-55.10000114.2N130N130-S134 WeakPolarHBondContact O-CA 3.5Å; N130-S134 PolarHBondContact O-N 3.06Å
135Q94.5Very high95.1Very high124 Ų12451 Ų5158%0.57926%0.26SS*.  trans-77.6137.2175.4-70.7172.7-3500110.3V129 N130 T133V129-Q135 WeakPolarHBondContact CA-O 3.48Å; N130-Q135 PolarHBondContact N-O 2.79Å; T133-Q135 PolarHBondContact O-N 3.41Å; T133-Q135 WeakPolarHBondContact OG1-CB 3.41Å; T133-Q135 WeakPolarHBondContact OG1-CG 3.34Å; T133-Q135 PolarHBondContact OG1-N 3.41Å; T133-Q135 PolarHBondContact OG1-OE1 3.36Å; T133-Q135 VanDerWaalsContact OG1-OE1 3.1Å
136E95.6Very high95.2Very high92 Ų9246.6 Ų46.643%0.4325%0.247SC..EExtended strand (participates in β ladder)trans-119.3135.7178.1177.9175.6143.700110.1R127 V128 V129R127-E136 HydrophobicContact CB-CG 4.49Å; R127-E136 IonicContact CZ-OE1 2.77Å; R127-E136 VanDerWaalsContact CZ-OE1 3.24Å; R127-E136 IonicContact CZ-OE2 3.78Å; R127-E136 VanDerWaalsContact NE-CD 3.29Å; R127-E136 IonicContact NE-OE1 3.31Å; R127-E136 PolarHBondContact NE-OE1 3.12Å; R127-E136 IonicContact NE-OE2 2.83Å; R127-E136 VanDerWaalsContact NH2-CD 3.28Å; R127-E136 IonicContact NH2-OE1 3.1Å; R127-E136 PolarHBondContact NH2-OE1 2.9Å; R127-E136 VanDerWaalsContact NH2-OE1 3.1Å; R127-E136 IonicContact NH2-OE2 2.73Å; R127-E136 PolarHBondContact NH2-OE2 3.21Å; V128-E136 WeakPolarHBondContact O-CA 3.34Å; V129-E136 HydrophobicContact CG2-CB 4.37Å; V129-E136 HydrophobicContact CG2-CG 4.07Å
137Q96.4Very high95.2Very high62 Ų6246.6 Ų46.629%0.2925%0.247SC..EExtended strand (participates in β ladder)trans-127.8125.7175.3-173.757.554.200110.5V128 L139 Y154 H157V128-Q137 PolarHBondContact N-O 2.93Å; V128-Q137 PolarHBondContact O-N 3.23Å; Q137-L139 HydrophobicContact CG-CD2 3.94Å; Q137-L139 HydrophobicContact CG-CG 4.26Å; Q137-Y154 HydrophobicContact CB-CD2 4.45Å; Q137-Y154 HydrophobicContact CB-CE2 3.91Å; Q137-Y154 HydrophobicContact CG-CE2 4.37Å; Q137-H157 PolarHBondContact OE1-CE1 2.77Å; Q137-H157 VanDerWaalsContact OE1-CE1 3.23Å; Q137-H157 PolarHBondContact OE1-ND1 3.28Å; Q137-H157 VanDerWaalsContact OE1-ND1 3.11Å
138L95.9Very high95.1Very high84 Ų8446.6 Ų46.644%0.4425%0.251SS..EExtended strand (participates in β ladder)trans-79.7130.1167.4-78.6158000109.2W125 I126 R127 V202W125-L138 HydrophobicContact CE3-CB 4.06Å; W125-L138 HydrophobicContact CE3-CD2 4.4Å; W125-L138 HydrophobicContact CZ3-CB 4.07Å; I126-L138 WeakPolarHBondContact O-CA 3.48Å; R127-L138 HydrophobicContact CG-CD2 3.55Å; R127-L138 HydrophobicContact CG-CG 4.29Å; L138-V202 HydrophobicContact CD2-CG1 4.23Å
139L95.6Very high95Very high15 Ų1547.7 Ų47.78%0.07926%0.256CS..EExtended strand (participates in β ladder)trans-127.1131.6174.4-64.5-179.3000110W125 I126 V128 Q137 V141 Y154W125-L139 WeakPolarHBondContact CA-O 3.33Å; W125-L139 VanDerWaalsContact CE3-C 3.45Å; I126-L139 HydrophobicContact CD1-CB 4.49Å; I126-L139 HydrophobicContact CG1-CB 3.96Å; I126-L139 PolarHBondContact N-O 3.12Å; I126-L139 PolarHBondContact O-N 2.86Å; V128-L139 HydrophobicContact CG2-CD1 3.86Å; V128-L139 HydrophobicContact CG2-CG 4.46Å; Q137-L139 HydrophobicContact CG-CD2 3.94Å; Q137-L139 HydrophobicContact CG-CG 4.26Å; L139-V141 HydrophobicContact CB-CG1 4.17Å; L139-Y154 HydrophobicContact CD1-CD2 3.98Å; L139-Y154 HydrophobicContact CD1-CG 4.39Å
140E95.7Very high94.9Very high42 Ų4246.4 Ų46.420%0.19625%0.248CC..EExtended strand (participates in β ladder)trans-84.5126163.2-170.4-175.4-162.800108.4T9 T123 W125T9-E140 HydrophobicContact CG2-CG 4.1Å; T123-E140 VanDerWaalsContact CB-OE1 3.31Å; T123-E140 WeakPolarHBondContact CB-OE1 3.44Å; T123-E140 PolarHBondContact OG1-OE1 2.66Å; W125-E140 HydrophobicContact CD2-CB 4.16Å; W125-E140 HydrophobicContact CE3-CB 4.13Å; W125-E140 HydrophobicContact CH2-CB 3.93Å; W125-E140 HydrophobicContact CZ2-CB 3.94Å; W125-E140 HydrophobicContact CZ2-CG 4.42Å; W125-E140 HydrophobicContact CZ3-CB 4.02Å
141V96.1Very high94.9Very high0 Ų046.5 Ų46.50%025%0.248CC..EExtended strand (participates in β ladder)trans-128.9155.1-176.4-61.10000110.8T123 R124 I126 L139 I150 L179T123-V141 VanDerWaalsContact CA-O 3.27Å; T123-V141 WeakPolarHBondContact CA-O 3.4Å; R124-V141 HydrophobicContact CG-CG2 3.8Å; R124-V141 PolarHBondContact N-O 3.2Å; R124-V141 WeakPolarHBondContact O-CG2 3.42Å; R124-V141 PolarHBondContact O-N 2.85Å; I126-V141 HydrophobicContact CD1-CG1 3.81Å; I126-V141 HydrophobicContact CD1-CG2 4.35Å; I126-V141 HydrophobicContact CG1-CG1 4Å; I126-V141 HydrophobicContact CG1-CG2 4.28Å; I126-V141 HydrophobicContact CG2-CG2 4Å; L139-V141 HydrophobicContact CB-CG1 4.17Å; V141-I150 HydrophobicContact CB-CD1 4.21Å; V141-I150 HydrophobicContact CB-CG1 4.19Å; V141-I150 HydrophobicContact CG1-CD1 4.21Å; V141-I150 HydrophobicContact CG1-CG1 3.94Å; V141-I150 HydrophobicContact CG1-CG2 3.98Å; V141-I150 HydrophobicContact CG2-CD1 4.35Å; V141-L179 HydrophobicContact CG2-CD1 3.78Å
142C96.4Very high94.8Very high1 Ų146.8 Ų46.81%0.00725%0.246CC..EExtended strand (participates in β ladder)trans-84.5141175.2-51.10000109.3S120 E144 E145S120-C142 WeakPolarHBondContact OG-CB 3.39Å; C142-E144 PolarHBondContact O-N 2.95Å; C142-E145 HydrophobicContact CB-CB 4.42Å; C142-E145 HydrophobicContact CB-CG 3.77Å; C142-E145 WeakPolarHBondContact CB-OE2 3.41Å; C142-E145 PolarHBondContact N-OE2 2.7Å; C142-E145 PolarHBondContact O-N 3.42Å; C142-E145 PolarHBondContact SG-OE2 3.36Å
143S94.1Very high94.9Very high28 Ų2843.1 Ų43.120%0.19622%0.224CC..THydrogen-bonded Turntrans-65-23.4-179.7-59.20000113.2K122K122-S143 WeakPolarHBondContact O-CB 3.47Å; K122-S143 PolarHBondContact O-N 2.92Å; K122-S143 PolarHBondContact O-OG 3.14Å
144E94.9Very high95Very high52 Ų5240.3 Ų40.324%0.24321%0.206CC..THydrogen-bonded Turntrans-86.4-8.4-178.6-52.187.4164.700113.7Y7 S120 A121 C142Y7-E144 HydrophobicContact CD1-CB 3.99Å; Y7-E144 HydrophobicContact CD1-CG 4.37Å; Y7-E144 HydrophobicContact CD2-CB 3.88Å; Y7-E144 HydrophobicContact CE1-CB 3.7Å; Y7-E144 HydrophobicContact CE1-CG 4.01Å; Y7-E144 HydrophobicContact CE2-CB 3.56Å; Y7-E144 HydrophobicContact CG-CB 4.08Å; Y7-E144 VanDerWaalsContact CZ-CB 3.46Å; S120-E144 WeakPolarHBondContact CB-OE2 3.44Å; S120-E144 PolarHBondContact OG-OE2 3.09Å; A121-E144 VanDerWaalsContact CB-OE1 3.25Å; A121-E144 WeakPolarHBondContact CB-OE1 3.41Å; A121-E144 PolarHBondContact N-OE1 3.43Å; C142-E144 PolarHBondContact O-N 2.95Å
145E94.2Very high95Very high2 Ų237.1 Ų37.11%0.00918%0.181CC..  trans-75.4140.6-178.2-79171.514200111.8Y7 C142 E149 I150 R153 T178Y7-E145 HydrophobicContact CD2-CG 4.13Å; C142-E145 HydrophobicContact CB-CB 4.42Å; C142-E145 HydrophobicContact CB-CG 3.77Å; C142-E145 WeakPolarHBondContact CB-OE2 3.41Å; C142-E145 PolarHBondContact N-OE2 2.7Å; C142-E145 PolarHBondContact O-N 3.42Å; C142-E145 PolarHBondContact SG-OE2 3.36Å; E145-E149 WeakPolarHBondContact CA-OE2 3.38Å; E145-E149 HydrophobicContact CB-CB 4.12Å; E145-E149 HydrophobicContact CG-CB 4.12Å; E145-I150 HydrophobicContact CB-CG1 4.15Å; E145-R153 VanDerWaalsContact CD-NE 3.25Å; E145-R153 IonicContact OE1-CZ 3.45Å; E145-R153 IonicContact OE1-NE 2.78Å; E145-R153 PolarHBondContact OE1-NE 3.46Å; E145-R153 IonicContact OE1-NH2 3.6Å; E145-R153 PolarHBondContact OE1-NH2 3.49Å; E145-R153 IonicContact OE2-CZ 3.84Å; E145-R153 IonicContact OE2-NE 2.88Å; E145-R153 PolarHBondContact OE2-NE 2.84Å; E145-R153 IonicContact OE2-NH2 3.98Å; E145-T178 WeakPolarHBondContact O-CA 3.41Å
146T96Very high94.8Very high36 Ų3638.3 Ų38.322%0.22119%0.186CC..BIsolated β-bridgetrans-72.5156.5166.256.30000110.5E148 E149 I150 Q176 K177T146-E148 PolarHBondContact O-N 2.76Å; T146-E149 PolarHBondContact N-OE2 3.22Å; T146-E149 WeakPolarHBondContact O-CB 3.36Å; T146-E149 PolarHBondContact O-N 2.87Å; T146-E149 WeakPolarHBondContact OG1-CG 3.26Å; T146-E149 PolarHBondContact OG1-N 3.24Å; T146-E149 PolarHBondContact OG1-OE2 3.33Å; T146-I150 PolarHBondContact O-N 3.02Å; T146-Q176 WeakPolarHBondContact CG2-O 3.18Å; T146-K177 WeakPolarHBondContact CA-O 3.45Å
147L95.8Very high94.6Very high0 Ų038.7 Ų38.70%019%0.188CC..Hα-helixtrans-61.3-29.8177.2-171.774.1000112.4I150 L151 W166 L173 M175 K177 L179 I205L147-I150 HydrophobicContact CD1-CD1 4.5Å; L147-I150 PolarHBondContact O-N 2.9Å; L147-L151 WeakPolarHBondContact O-CB 3.44Å; L147-L151 PolarHBondContact O-N 2.9Å; L147-W166 HydrophobicContact CD1-CE3 3.82Å; L147-W166 HydrophobicContact CD1-CZ3 4.24Å; L147-W166 HydrophobicContact CD2-CB 4.12Å; L147-W166 HydrophobicContact CG-CE3 4.34Å; L147-L173 HydrophobicContact CD1-CD1 4.23Å; L147-L173 HydrophobicContact CD2-CB 3.35Å; L147-L173 HydrophobicContact CD2-CD1 3.94Å; L147-L173 HydrophobicContact CD2-CG 4.3Å; L147-M175 HydrophobicContact CB-SD 4.24Å; L147-M175 HydrophobicContact CD2-CE 4.3Å; L147-M175 HydrophobicContact CD2-SD 3.73Å; L147-M175 HydrophobicContact CG-SD 3.83Å; L147-M175 PolarHBondContact N-O 3.26Å; L147-K177 PolarHBondContact N-O 2.74Å; L147-L179 HydrophobicContact CD1-CD2 4.1Å; L147-I205 HydrophobicContact CD1-CD1 4.42Å
148E95Very high94.4Very high78 Ų7836.9 Ų36.936%0.36418%0.18SC..Hα-helixtrans-59.8-42.9169.9-17765.2-138.700112.2T146 I150 L151 Q152 M175T146-E148 PolarHBondContact O-N 2.76Å; E148-I150 VanDerWaalsContact C-N 3.35Å; E148-L151 WeakPolarHBondContact O-CB 3.41Å; E148-L151 PolarHBondContact O-N 3.48Å; E148-Q152 WeakPolarHBondContact O-CG 3.12Å; E148-Q152 PolarHBondContact O-N 2.86Å; E148-Q152 PolarHBondContact OE1-NE2 2.85Å; E148-M175 HydrophobicContact CB-CB 4.34Å; E148-M175 WeakPolarHBondContact CB-O 3.44Å; E148-M175 PolarHBondContact N-O 2.79Å
149E94.5Very high94Very high23 Ų2336.2 Ų36.211%0.10719%0.187CC..Hα-helixtrans-67.5-37.3176.7-72.4162.8147.700111.3R6 E145 T146 Q152 R153R6-E149 VanDerWaalsContact CD-OE1 3.25Å; R6-E149 WeakPolarHBondContact CD-OE1 3.32Å; E145-E149 WeakPolarHBondContact CA-OE2 3.38Å; E145-E149 HydrophobicContact CB-CB 4.12Å; E145-E149 HydrophobicContact CG-CB 4.12Å; T146-E149 PolarHBondContact N-OE2 3.22Å; T146-E149 WeakPolarHBondContact O-CB 3.36Å; T146-E149 PolarHBondContact O-N 2.87Å; T146-E149 WeakPolarHBondContact OG1-CG 3.26Å; T146-E149 PolarHBondContact OG1-N 3.24Å; T146-E149 PolarHBondContact OG1-OE2 3.33Å; E149-Q152 WeakPolarHBondContact O-CB 3.26Å; E149-Q152 PolarHBondContact O-N 2.96Å; E149-R153 PolarHBondContact O-N 2.91Å
150I95.4Very high93.6Very high0 Ų040.4 Ų40.40%021%0.206CC..Hα-helixtrans-64.4-40.3172.9-64.2173.3000111.2I126 V141 E145 T146 L147 E148 Q152 R153 Y154 W166 L179I126-I150 HydrophobicContact CD1-CG2 3.7Å; V141-I150 HydrophobicContact CB-CD1 4.21Å; V141-I150 HydrophobicContact CB-CG1 4.19Å; V141-I150 HydrophobicContact CG1-CD1 4.21Å; V141-I150 HydrophobicContact CG1-CG1 3.94Å; V141-I150 HydrophobicContact CG1-CG2 3.98Å; V141-I150 HydrophobicContact CG2-CD1 4.35Å; E145-I150 HydrophobicContact CB-CG1 4.15Å; T146-I150 PolarHBondContact O-N 3.02Å; L147-I150 HydrophobicContact CD1-CD1 4.5Å; L147-I150 PolarHBondContact O-N 2.9Å; E148-I150 VanDerWaalsContact C-N 3.35Å; I150-Q152 VanDerWaalsContact C-N 3.31Å; I150-Q152 PolarHBondContact O-N 3.18Å; I150-R153 WeakPolarHBondContact O-CB 3.34Å; I150-R153 PolarHBondContact O-N 3.27Å; I150-R153 VanDerWaalsContact O-N 3.12Å; I150-Y154 PolarHBondContact O-N 3.44Å; I150-W166 HydrophobicContact CG2-CH2 4.43Å; I150-W166 HydrophobicContact CG2-CZ3 4.18Å; I150-L179 HydrophobicContact CD1-CD1 3.76Å; I150-L179 HydrophobicContact CD1-CD2 3.89Å; I150-L179 HydrophobicContact CD1-CG 3.61Å
151L94.8Very high93.3Very high3 Ų338.4 Ų38.42%0.01620%0.197CC..Hα-helixtrans-58.3-44.3172.9167.562.5000110.6L147 E148 R153 Y154 L155 A161 N162 W166 M175L147-L151 WeakPolarHBondContact O-CB 3.44Å; L147-L151 PolarHBondContact O-N 2.9Å; E148-L151 WeakPolarHBondContact O-CB 3.41Å; E148-L151 PolarHBondContact O-N 3.48Å; L151-R153 PolarHBondContact O-N 2.93Å; L151-Y154 CarbonylContact O-C 3.54Å; L151-Y154 PolarHBondContact O-N 2.88Å; L151-L155 HydrophobicContact CD1-CD2 4.27Å; L151-L155 HydrophobicContact CD1-CG 4.34Å; L151-L155 WeakPolarHBondContact O-CG 3.31Å; L151-L155 PolarHBondContact O-N 2.93Å; L151-A161 HydrophobicContact CD1-CB 3.57Å; L151-N162 WeakPolarHBondContact CD2-OD1 2.94Å; L151-W166 HydrophobicContact CB-CZ2 4.09Å; L151-W166 HydrophobicContact CD1-CZ2 3.6Å; L151-W166 HydrophobicContact CG-CZ2 4.44Å; L151-M175 HydrophobicContact CD2-CE 4.27Å; L151-M175 HydrophobicContact CD2-SD 4.39Å
152Q93.3Very high92.9Very high62 Ų6243 Ų4329%0.2922%0.221SC..Hα-helixtrans-58.7-35.4176.2-62.2-55.7-55.100112.7E148 E149 I150E148-Q152 WeakPolarHBondContact O-CG 3.12Å; E148-Q152 PolarHBondContact O-N 2.86Å; E148-Q152 PolarHBondContact OE1-NE2 2.85Å; E149-Q152 WeakPolarHBondContact O-CB 3.26Å; E149-Q152 PolarHBondContact O-N 2.96Å; I150-Q152 VanDerWaalsContact C-N 3.31Å; I150-Q152 PolarHBondContact O-N 3.18Å
153R92.7Very high92.6Very high35 Ų3543.6 Ų43.613%0.13223%0.225CC..Hα-helixtrans-64.4-46.5172.3-64.1171.4170.5-78.6-12.4110.9Y7 E12 E145 E149 I150 L151 L155 H156Y7-R153 PolarHBondContact O-NH2 3.13Å; E12-R153 IonicContact OE1-CZ 3.52Å; E12-R153 IonicContact OE1-NH1 3.24Å; E12-R153 PolarHBondContact OE1-NH1 3.2Å; E12-R153 IonicContact OE1-NH2 3.55Å; E12-R153 PolarHBondContact OE1-NH2 3.23Å; E12-R153 IonicContact OE2-CZ 2.74Å; E12-R153 IonicContact OE2-NH1 3.81Å; E12-R153 PolarHBondContact OE2-NH1 2.88Å; E12-R153 IonicContact OE2-NH2 2.89Å; E12-R153 PolarHBondContact OE2-NH2 3.06Å; E145-R153 VanDerWaalsContact CD-NE 3.25Å; E145-R153 IonicContact OE1-CZ 3.45Å; E145-R153 IonicContact OE1-NE 2.78Å; E145-R153 PolarHBondContact OE1-NE 3.46Å; E145-R153 IonicContact OE1-NH2 3.6Å; E145-R153 PolarHBondContact OE1-NH2 3.49Å; E145-R153 IonicContact OE2-CZ 3.84Å; E145-R153 IonicContact OE2-NE 2.88Å; E145-R153 PolarHBondContact OE2-NE 2.84Å; E145-R153 IonicContact OE2-NH2 3.98Å; E149-R153 PolarHBondContact O-N 2.91Å; I150-R153 WeakPolarHBondContact O-CB 3.34Å; I150-R153 PolarHBondContact O-N 3.27Å; I150-R153 VanDerWaalsContact O-N 3.12Å; L151-R153 PolarHBondContact O-N 2.93Å; R153-L155 VanDerWaalsContact C-N 3.34Å; R153-L155 PolarHBondContact O-N 3.19Å; R153-H156 PolarHBondContact O-ND1 3.21Å
154Y94.8Very high92.5Very high6 Ų643.2 Ų43.22%0.02422%0.22CC..Hα-helixtrans-69-24.6-177.8-175-107.5000114.5V128 Q137 L139 I150 L151 H156 H157 N158 A161 W166 L207V128-Y154 HydrophobicContact CB-CD2 4.06Å; V128-Y154 HydrophobicContact CB-CE2 3.91Å; V128-Y154 HydrophobicContact CG1-CD1 4.43Å; V128-Y154 HydrophobicContact CG1-CD2 3.89Å; V128-Y154 HydrophobicContact CG1-CE1 4.2Å; V128-Y154 HydrophobicContact CG1-CE2 3.6Å; V128-Y154 HydrophobicContact CG1-CG 4.28Å; V128-Y154 HydrophobicContact CG2-CD2 4.4Å; Q137-Y154 HydrophobicContact CB-CD2 4.45Å; Q137-Y154 HydrophobicContact CB-CE2 3.91Å; Q137-Y154 HydrophobicContact CG-CE2 4.37Å; L139-Y154 HydrophobicContact CD1-CD2 3.98Å; L139-Y154 HydrophobicContact CD1-CG 4.39Å; I150-Y154 PolarHBondContact O-N 3.44Å; L151-Y154 CarbonylContact O-C 3.54Å; L151-Y154 PolarHBondContact O-N 2.88Å; Y154-H156 PolarHBondContact O-N 3.09Å; Y154-H157 HydrophobicContact CD2-CB 4.25Å; Y154-H157 HydrophobicContact CE2-CB 4.05Å; Y154-H157 WeakPolarHBondContact O-CB 3.48Å; Y154-H157 PolarHBondContact O-N 2.92Å; Y154-N158 HydrophobicContact CE1-CB 3.77Å; Y154-N158 PolarHBondContact O-N 3.31Å; Y154-A161 HydrophobicContact CD1-CB 3.54Å; Y154-A161 HydrophobicContact CE1-CB 3.72Å; Y154-W166 HydrophobicContact CD1-CH2 4.11Å; Y154-W166 AromaticContact CD1-CZ2 3.85Å; Y154-W166 HydrophobicContact CD1-CZ2 3.85Å; Y154-W166 HydrophobicContact CG-CH2 4.03Å; Y154-W166 HydrophobicContact CG-CZ2 4.23Å; Y154-L207 HydrophobicContact CD1-CD1 4.04Å; Y154-L207 HydrophobicContact CE1-CD1 3.23Å
155L93.3Very high92.6Very high35 Ų3542.4 Ų42.418%0.18322%0.218CC..THydrogen-bonded Turntrans-56.5-21.2179.9-76.3175000114.1L151 R153 H157 N158 A159 A161L151-L155 HydrophobicContact CD1-CD2 4.27Å; L151-L155 HydrophobicContact CD1-CG 4.34Å; L151-L155 WeakPolarHBondContact O-CG 3.31Å; L151-L155 PolarHBondContact O-N 2.93Å; R153-L155 VanDerWaalsContact C-N 3.34Å; R153-L155 PolarHBondContact O-N 3.19Å; L155-H157 PolarHBondContact O-N 2.83Å; L155-N158 WeakPolarHBondContact CD2-O 3.12Å; L155-N158 CarbonylContact O-C 3.56Å; L155-A159 PolarHBondContact O-N 3.29Å; L155-A161 HydrophobicContact CD2-CB 3.99Å
156H90.8Very high92.7Very high149 Ų14942.4 Ų42.469%0.6922%0.218SC*.THydrogen-bonded Turntrans-66-26.4172.8-60.795.1000113.2R153 Y154R153-H156 PolarHBondContact O-ND1 3.21Å; Y154-H156 PolarHBondContact O-N 3.09Å
157H91.4Very high92.7Very high99 Ų9943.3 Ų43.346%0.45822%0.219SC..THydrogen-bonded Turntrans-92.9-33.6178.2-59.8-82000112Q137 Y154 L155Q137-H157 PolarHBondContact OE1-CE1 2.77Å; Q137-H157 VanDerWaalsContact OE1-CE1 3.23Å; Q137-H157 PolarHBondContact OE1-ND1 3.28Å; Q137-H157 VanDerWaalsContact OE1-ND1 3.11Å; Y154-H157 HydrophobicContact CD2-CB 4.25Å; Y154-H157 HydrophobicContact CE2-CB 4.05Å; Y154-H157 WeakPolarHBondContact O-CB 3.48Å; Y154-H157 PolarHBondContact O-N 2.92Å; L155-H157 PolarHBondContact O-N 2.83Å
158N91.1Very high92.8Very high25 Ų2545.2 Ų45.213%0.13423%0.226CC..  trans-144.2103.3176.9179.40000110.5Y154 L155 H160 A161 Y164Y154-N158 HydrophobicContact CE1-CB 3.77Å; Y154-N158 PolarHBondContact O-N 3.31Å; L155-N158 WeakPolarHBondContact CD2-O 3.12Å; L155-N158 CarbonylContact O-C 3.56Å; N158-H160 PolarHBondContact O-N 2.88Å; N158-H160 VanDerWaalsContact O-N 3.13Å; N158-H160 PolarHBondContact OD1-N 3.45Å; N158-A161 HydrophobicContact CB-CB 4.28Å; N158-A161 VanDerWaalsContact O-CB 3.27Å; N158-A161 WeakPolarHBondContact O-CB 3.47Å; N158-A161 PolarHBondContact O-N 3.35Å; N158-A161 VanDerWaalsContact O-N 3.08Å; N158-Y164 WeakPolarHBondContact ND2-CE2 3.42Å
159A89.3Confident92.7Very high70 Ų7049 Ų4958%0.57924%0.244SC*.THydrogen-bonded Turntrans-62.2-21.5-17900000113.7L155L155-A159 PolarHBondContact O-N 3.29Å
160H87Confident92.6Very high103 Ų10350.5 Ų50.548%0.47727%0.266SS..THydrogen-bonded Turntrans-95.79-179.8-55.4-70.9000112.7N158 N162 S163 Y164N158-H160 PolarHBondContact O-N 2.88Å; N158-H160 VanDerWaalsContact O-N 3.13Å; N158-H160 PolarHBondContact OD1-N 3.45Å; H160-N162 PolarHBondContact O-N 3.23Å; H160-S163 PolarHBondContact O-N 2.78Å; H160-Y164 HydrophobicContact CB-CE2 4.49Å; H160-Y164 VanDerWaalsContact O-CD2 3.28Å; H160-Y164 WeakPolarHBondContact O-CD2 3.42Å
161A88.6Confident92.7Very high0 Ų055.1 Ų55.10%029%0.294CS..G310 helixtrans-61.5-16-176.900000114.4L151 Y154 L155 N158 S163 Y164L151-A161 HydrophobicContact CD1-CB 3.57Å; Y154-A161 HydrophobicContact CD1-CB 3.54Å; Y154-A161 HydrophobicContact CE1-CB 3.72Å; L155-A161 HydrophobicContact CD2-CB 3.99Å; N158-A161 HydrophobicContact CB-CB 4.28Å; N158-A161 VanDerWaalsContact O-CB 3.27Å; N158-A161 WeakPolarHBondContact O-CB 3.47Å; N158-A161 PolarHBondContact O-N 3.35Å; N158-A161 VanDerWaalsContact O-N 3.08Å; A161-S163 PolarHBondContact O-N 2.8Å; A161-Y164 PolarHBondContact O-N 3.23Å
162N88.1Confident92.8Very high95 Ų9559.1 Ų59.151%0.50832%0.318SS..G310 helixtrans-62.7-28.3172.8-61.1-49.4000112.7L151 H160 Y164L151-N162 WeakPolarHBondContact CD2-OD1 2.94Å; H160-N162 PolarHBondContact O-N 3.23Å; N162-Y164 VanDerWaalsContact C-N 3.29Å
163S89.7Confident93Very high14 Ų1456.7 Ų56.710%0.09831%0.307CS..G310 helixtrans-86.73.8178.2-64.40000113.1H160 A161 N210 D212 T214H160-S163 PolarHBondContact O-N 2.78Å; A161-S163 PolarHBondContact O-N 2.8Å; S163-N210 WeakPolarHBondContact O-CB 3.5Å; S163-N210 VanDerWaalsContact O-CG 3.27Å; S163-N210 PolarHBondContact O-N 3.38Å; S163-N210 PolarHBondContact O-ND2 2.82Å; S163-D212 VanDerWaalsContact CB-OD1 3.25Å; S163-D212 WeakPolarHBondContact CB-OD1 3.27Å; S163-D212 WeakPolarHBondContact CB-OD2 3.07Å; S163-D212 PolarHBondContact OG-OD1 3.5Å; S163-D212 PolarHBondContact OG-OD2 3.22Å; S163-T214 PolarHBondContact OG-OG1 3.5Å
164Y92.9Very high93.1Very high21 Ų2158 Ų588%0.08232%0.317CS..EExtended strand (participates in β ladder)trans-99.1143.8-180-73.3-113.6000110.8N130 N158 H160 A161 N162 L207 Y208 F209N130-Y164 WeakPolarHBondContact ND2-CE1 3.39Å; N130-Y164 PolarHBondContact ND2-OH 2.75Å; N158-Y164 WeakPolarHBondContact ND2-CE2 3.42Å; H160-Y164 HydrophobicContact CB-CE2 4.49Å; H160-Y164 VanDerWaalsContact O-CD2 3.28Å; H160-Y164 WeakPolarHBondContact O-CD2 3.42Å; A161-Y164 PolarHBondContact O-N 3.23Å; N162-Y164 VanDerWaalsContact C-N 3.29Å; Y164-L207 HydrophobicContact CD1-CB 3.71Å; Y164-L207 HydrophobicContact CG-CB 4.31Å; Y164-Y208 CarbonylContact C-O 3.52Å; Y164-Y208 WeakPolarHBondContact CA-O 3.36Å; Y164-F209 HydrophobicContact CD1-CB 4.19Å; Y164-F209 HydrophobicContact CD2-CD2 4.43Å; Y164-F209 HydrophobicContact CE1-CB 3.8Å; Y164-F209 HydrophobicContact CE1-CD2 4.13Å; Y164-F209 HydrophobicContact CE1-CG 4.47Å; Y164-F209 AromaticContact CE2-CD2 3.81Å; Y164-F209 HydrophobicContact CE2-CD2 3.81Å; Y164-F209 HydrophobicContact CE2-CE2 4.49Å; Y164-F209 AromaticContact CZ-CD2 3.65Å
165T95Very high93.1Very high34 Ų3460 Ų6021%0.20933%0.327CS..EExtended strand (participates in β ladder)trans-87.7120168.9-62.20000109.9K167 V172 Y208 N210T165-K167 HydrophobicContact CG2-CG 4.15Å; T165-V172 HydrophobicContact CG2-CG1 3.94Å; T165-V172 HydrophobicContact CG2-CG2 3.87Å; T165-Y208 PolarHBondContact N-O 2.9Å; T165-Y208 PolarHBondContact O-N 3.47Å; T165-N210 VanDerWaalsContact OG1-CG 3.3Å; T165-N210 PolarHBondContact OG1-ND2 2.95Å; T165-N210 VanDerWaalsContact OG1-ND2 3.07Å; T165-N210 PolarHBondContact OG1-OD1 2.94Å
166W97Very high93.3Very high2 Ų266.4 Ų66.41%0.00836%0.356CS..EExtended strand (participates in β ladder)trans-87.2128.1178.9-67.654.8000110V128 L147 I150 L151 Y154 L173 M175 I205 L207V128-W166 HydrophobicContact CG1-CH2 4.05Å; V128-W166 HydrophobicContact CG1-CZ3 4.18Å; V128-W166 HydrophobicContact CG2-CH2 4.19Å; V128-W166 HydrophobicContact CG2-CZ3 3.96Å; L147-W166 HydrophobicContact CD1-CE3 3.82Å; L147-W166 HydrophobicContact CD1-CZ3 4.24Å; L147-W166 HydrophobicContact CD2-CB 4.12Å; L147-W166 HydrophobicContact CG-CE3 4.34Å; I150-W166 HydrophobicContact CG2-CH2 4.43Å; I150-W166 HydrophobicContact CG2-CZ3 4.18Å; L151-W166 HydrophobicContact CB-CZ2 4.09Å; L151-W166 HydrophobicContact CD1-CZ2 3.6Å; L151-W166 HydrophobicContact CG-CZ2 4.44Å; Y154-W166 HydrophobicContact CD1-CH2 4.11Å; Y154-W166 AromaticContact CD1-CZ2 3.85Å; Y154-W166 HydrophobicContact CD1-CZ2 3.85Å; Y154-W166 HydrophobicContact CG-CH2 4.03Å; Y154-W166 HydrophobicContact CG-CZ2 4.23Å; W166-L173 PolarHBondContact O-N 3.22Å; W166-M175 HydrophobicContact CB-CE 4.2Å; W166-M175 HydrophobicContact CD2-CE 4.38Å; W166-M175 HydrophobicContact CG-CE 3.74Å; W166-I205 HydrophobicContact CB-CG2 4.36Å; W166-I205 HydrophobicContact CE3-CG2 3.72Å; W166-I205 HydrophobicContact CZ3-CG2 4.42Å; W166-L207 HydrophobicContact CB-CD2 4.24Å; W166-L207 HydrophobicContact CD2-CD2 3.21Å; W166-L207 HydrophobicContact CE3-CD2 3.74Å; W166-L207 HydrophobicContact CG-CD2 3.44Å; W166-L207 VanDerWaalsContact CG-CD2 3.44Å; W166-L207 HydrophobicContact CH2-CD2 4.23Å; W166-L207 HydrophobicContact CZ2-CD1 4.4Å; W166-L207 HydrophobicContact CZ2-CD2 3.78Å; W166-L207 HydrophobicContact CZ3-CD2 4.21Å
167K97.3Very high93.6Very high56 Ų5663.7 Ų63.724%0.24334%0.342CS..EExtended strand (participates in β ladder)trans-132.9146-179-60.1-168.7-177176.40112.8T165 V171 V172 L206 Y208T165-K167 HydrophobicContact CG2-CG 4.15Å; K167-V171 CarbonylContact C-O 3.56Å; K167-V171 WeakPolarHBondContact CA-O 3.43Å; K167-V171 WeakPolarHBondContact CB-O 3.41Å; K167-V172 HydrophobicContact CD-CG2 4.29Å; K167-V172 HydrophobicContact CG-CG2 4.16Å; K167-L206 PolarHBondContact N-O 3.26Å; K167-L206 PolarHBondContact O-N 3.08Å; K167-Y208 HydrophobicContact CB-CD2 4.22Å; K167-Y208 HydrophobicContact CB-CE2 4.02Å; K167-Y208 HydrophobicContact CD-CD2 3.7Å; K167-Y208 HydrophobicContact CD-CE2 3.69Å; K167-Y208 HydrophobicContact CG-CD2 3.89Å; K167-Y208 HydrophobicContact CG-CE2 4.07Å
168Y97.1Very high93.8Very high39 Ų3960.3 Ų60.315%0.15333%0.328CS..EExtended strand (participates in β ladder)trans-128.5128.9169.2-178.9-116000109.2G170 V171 V184 P203 A204Y168-G170 PolarHBondContact O-N 2.83Å; Y168-V171 PolarHBondContact N-O 3.2Å; Y168-V171 PolarHBondContact O-N 2.98Å; Y168-V184 HydrophobicContact CD1-CB 4.33Å; Y168-V184 HydrophobicContact CD1-CG2 3.55Å; Y168-V184 HydrophobicContact CD2-CG2 4.19Å; Y168-V184 HydrophobicContact CE1-CB 4.25Å; Y168-V184 HydrophobicContact CE1-CG1 4.37Å; Y168-V184 HydrophobicContact CE1-CG2 3.97Å; Y168-V184 HydrophobicContact CE2-CG1 4.35Å; Y168-V184 HydrophobicContact CG-CG2 3.66Å; Y168-P203 HydrophobicContact CE2-CB 4.07Å; Y168-A204 WeakPolarHBondContact CD2-O 3.43Å
169H93.4Very high94.1Very high157 Ų15759.2 Ų59.273%0.72732%0.323SS*.THydrogen-bonded Turntrans45.239.1-173.4-70-61.9000114.7V171H169-V171 VanDerWaalsContact C-N 3.27Å; H169-V171 PolarHBondContact O-N 2.88Å
170G92.1Very high94.3Very high55 Ų5558.1 Ų58.157%0.56731%0.311SS*.THydrogen-bonded Turntrans82.2-7.6178.800000115.4Y168Y168-G170 PolarHBondContact O-N 2.83Å
171V96.4Very high94.8Very high97 Ų9758.5 Ų58.559%0.58832%0.316SS*.EExtended strand (participates in β ladder)trans-91.7135.9177.5-176.20000109.9K167 Y168 H169K167-V171 CarbonylContact C-O 3.56Å; K167-V171 WeakPolarHBondContact CA-O 3.43Å; K167-V171 WeakPolarHBondContact CB-O 3.41Å; Y168-V171 PolarHBondContact N-O 3.2Å; Y168-V171 PolarHBondContact O-N 2.98Å; H169-V171 VanDerWaalsContact C-N 3.27Å; H169-V171 PolarHBondContact O-N 2.88Å
172V97.1Very high95.2Very high88 Ų8859.8 Ų59.853%0.53332%0.323SS..EExtended strand (participates in β ladder)trans-71.8130174.41780000109.4T165 K167T165-V172 HydrophobicContact CG2-CG1 3.94Å; T165-V172 HydrophobicContact CG2-CG2 3.87Å; K167-V172 HydrophobicContact CD-CG2 4.29Å; K167-V172 HydrophobicContact CG-CG2 4.16Å
173L97.2Very high95.5Very high10 Ų1057.4 Ų57.45%0.05232%0.321CS..PPolyproline II helixtrans-86.3144.2179.3-52.9178.8000111.1L147 W166 N182 V184 I205L147-L173 HydrophobicContact CD1-CD1 4.23Å; L147-L173 HydrophobicContact CD2-CB 3.35Å; L147-L173 HydrophobicContact CD2-CD1 3.94Å; L147-L173 HydrophobicContact CD2-CG 4.3Å; W166-L173 PolarHBondContact O-N 3.22Å; L173-N182 HydrophobicContact CD2-CB 3.84Å; L173-V184 HydrophobicContact CD2-CG2 4.43Å; L173-I205 HydrophobicContact CD1-CD1 4.21Å; L173-I205 HydrophobicContact CD1-CG1 4.44Å; L173-I205 HydrophobicContact CD1-CG2 3.79Å
174D96.8Very high95.7Very high63 Ų6356.7 Ų56.734%0.33732%0.316SS..PPolyproline II helixtrans-85.9123.3176.2-174.7-20.1000110.3Q176 K177 N182D174-Q176 PolarHBondContact O-N 3.15Å; D174-Q176 PolarHBondContact OD1-N 3.08Å; D174-K177 HydrophobicContact CB-CB 4.15Å; D174-K177 HydrophobicContact CB-CD 3.86Å; D174-K177 HydrophobicContact CB-CG 4Å; D174-K177 PolarHBondContact O-N 2.94Å; D174-K177 WeakPolarHBondContact OD2-CE 3.05Å; D174-K177 IonicContact OD2-NZ 2.79Å; D174-N182 PolarHBondContact N-OD1 3Å; D174-N182 PolarHBondContact O-ND2 3.11Å
175M94.8Very high95.6Very high48 Ų4860.8 Ų60.824%0.23634%0.337CS..THydrogen-bonded Turntrans-62.6-27-178.5-70.4-61.5178.400113.6L147 E148 L151 W166 K177L147-M175 HydrophobicContact CB-SD 4.24Å; L147-M175 HydrophobicContact CD2-CE 4.3Å; L147-M175 HydrophobicContact CD2-SD 3.73Å; L147-M175 HydrophobicContact CG-SD 3.83Å; L147-M175 PolarHBondContact N-O 3.26Å; E148-M175 HydrophobicContact CB-CB 4.34Å; E148-M175 WeakPolarHBondContact CB-O 3.44Å; E148-M175 PolarHBondContact N-O 2.79Å; L151-M175 HydrophobicContact CD2-CE 4.27Å; L151-M175 HydrophobicContact CD2-SD 4.39Å; W166-M175 HydrophobicContact CB-CE 4.2Å; W166-M175 HydrophobicContact CD2-CE 4.38Å; W166-M175 HydrophobicContact CG-CE 3.74Å; M175-K177 VanDerWaalsContact C-N 3.33Å
176Q95.9Very high95.4Very high170 Ų17061.4 Ų61.479%0.79434%0.339SS*.THydrogen-bonded Turntrans-85.4-8.7-177.7-59-175.41300113.2T146 D174T146-Q176 WeakPolarHBondContact CG2-O 3.18Å; D174-Q176 PolarHBondContact O-N 3.15Å; D174-Q176 PolarHBondContact OD1-N 3.08Å
177K96.8Very high95Very high92 Ų9264.9 Ų64.940%0.436%0.358SS..SBendtrans-101.3154.9-176.2-72.1-175.1-169.3167.50111.6T146 L147 D174 M175 D181 N182T146-K177 WeakPolarHBondContact CA-O 3.45Å; L147-K177 PolarHBondContact N-O 2.74Å; D174-K177 HydrophobicContact CB-CB 4.15Å; D174-K177 HydrophobicContact CB-CD 3.86Å; D174-K177 HydrophobicContact CB-CG 4Å; D174-K177 PolarHBondContact O-N 2.94Å; D174-K177 WeakPolarHBondContact OD2-CE 3.05Å; D174-K177 IonicContact OD2-NZ 2.79Å; M175-K177 VanDerWaalsContact C-N 3.33Å; K177-D181 HydrophobicContact CB-CB 3.9Å; K177-D181 HydrophobicContact CD-CB 4.2Å; K177-D181 HydrophobicContact CG-CB 4.25Å; K177-N182 WeakPolarHBondContact CB-ND2 3.3Å; K177-N182 PolarHBondContact O-ND2 3.11Å
178T96.7Very high94.6Very high27 Ų2763.9 Ų63.917%0.16636%0.355CS..BIsolated β-bridgetrans-70170.3171.266.90000110.8E145 S180 D181 N182E145-T178 WeakPolarHBondContact O-CA 3.41Å; T178-S180 VanDerWaalsContact C-N 3.33Å; T178-S180 PolarHBondContact O-N 3.27Å; T178-D181 PolarHBondContact O-N 2.97Å; T178-D181 WeakPolarHBondContact OG1-CB 3.45Å; T178-D181 PolarHBondContact OG1-N 2.93Å; T178-D181 VanDerWaalsContact OG1-N 3.17Å; T178-D181 PolarHBondContact OG1-OD2 3.46Å; T178-N182 WeakPolarHBondContact O-CB 3.17Å; T178-N182 PolarHBondContact O-N 2.9Å; T178-N182 VanDerWaalsContact O-N 3.07Å; T178-N182 PolarHBondContact O-ND2 3.19Å
179L96.2Very high94.2Very high3 Ų367.5 Ų67.52%0.01638%0.377CS..THydrogen-bonded Turntrans-58.3-46.2173-73.1179.7000111.9I126 V141 L147 I150 D181 N182 G183 V184 I205I126-L179 HydrophobicContact CG2-CD1 3.74Å; V141-L179 HydrophobicContact CG2-CD1 3.78Å; L147-L179 HydrophobicContact CD1-CD2 4.1Å; I150-L179 HydrophobicContact CD1-CD1 3.76Å; I150-L179 HydrophobicContact CD1-CD2 3.89Å; I150-L179 HydrophobicContact CD1-CG 3.61Å; L179-D181 PolarHBondContact O-N 2.85Å; L179-N182 CarbonylContact O-C 3.55Å; L179-N182 WeakPolarHBondContact O-CB 3.34Å; L179-N182 PolarHBondContact O-N 2.62Å; L179-N182 VanDerWaalsContact O-N 3.14Å; L179-G183 PolarHBondContact O-N 3.29Å; L179-V184 CarbonylContact C-O 3.54Å; L179-V184 HydrophobicContact CB-CB 4.08Å; L179-V184 HydrophobicContact CD2-CB 4.31Å; L179-V184 HydrophobicContact CD2-CG1 4.5Å; L179-V184 HydrophobicContact CD2-CG2 4.28Å; L179-V184 WeakPolarHBondContact O-CA 3.48Å; L179-V184 WeakPolarHBondContact O-CB 3.26Å; L179-V184 PolarHBondContact O-N 2.95Å; L179-I205 HydrophobicContact CD2-CD1 3.67Å
180S95.3Very high94.1Very high47 Ų4765.4 Ų65.433%0.32937%0.367SS..THydrogen-bonded Turntrans-62.5-43179.4-55.10000112T178 N182 G183T178-S180 VanDerWaalsContact C-N 3.33Å; T178-S180 PolarHBondContact O-N 3.27Å; S180-N182 PolarHBondContact O-N 3.4Å; S180-G183 PolarHBondContact O-N 2.83Å
181D96.3Very high94.1Very high110 Ų11063.6 Ų63.659%0.58834%0.344SS*.THydrogen-bonded Turntrans-68.4-22.5177.7-64.4-38.3000112.9K177 T178 L179 G183K177-D181 HydrophobicContact CB-CB 3.9Å; K177-D181 HydrophobicContact CD-CB 4.2Å; K177-D181 HydrophobicContact CG-CB 4.25Å; T178-D181 PolarHBondContact O-N 2.97Å; T178-D181 WeakPolarHBondContact OG1-CB 3.45Å; T178-D181 PolarHBondContact OG1-N 2.93Å; T178-D181 VanDerWaalsContact OG1-N 3.17Å; T178-D181 PolarHBondContact OG1-OD2 3.46Å; L179-D181 PolarHBondContact O-N 2.85Å; D181-G183 VanDerWaalsContact C-N 3.27Å
182N96.6Very high93.8Very high27 Ų2764.7 Ų64.714%0.14434%0.343CS..THydrogen-bonded Turntrans-84.93.2171.9-85.4-56.5000113.2L173 D174 K177 T178 L179 S180 V184L173-N182 HydrophobicContact CD2-CB 3.84Å; D174-N182 PolarHBondContact N-OD1 3Å; D174-N182 PolarHBondContact O-ND2 3.11Å; K177-N182 WeakPolarHBondContact CB-ND2 3.3Å; K177-N182 PolarHBondContact O-ND2 3.11Å; T178-N182 WeakPolarHBondContact O-CB 3.17Å; T178-N182 PolarHBondContact O-N 2.9Å; T178-N182 VanDerWaalsContact O-N 3.07Å; T178-N182 PolarHBondContact O-ND2 3.19Å; L179-N182 CarbonylContact O-C 3.55Å; L179-N182 WeakPolarHBondContact O-CB 3.34Å; L179-N182 PolarHBondContact O-N 2.62Å; L179-N182 VanDerWaalsContact O-N 3.14Å; S180-N182 PolarHBondContact O-N 3.4Å; N182-V184 VanDerWaalsContact C-N 3.32Å
183G94.4Very high93.6Very high45 Ų4567.2 Ų67.246%0.46435%0.349SS..THydrogen-bonded Turntrans80.69-179.300000114.5L179 S180 D181 M185L179-G183 PolarHBondContact O-N 3.29Å; S180-G183 PolarHBondContact O-N 2.83Å; D181-G183 VanDerWaalsContact C-N 3.27Å; G183-M185 VanDerWaalsContact C-N 3.35Å; G183-M185 PolarHBondContact O-N 3.43Å
184V94.8Very high93.5Very high0 Ų071.6 Ų71.60%037%0.372CS..  trans-86.280.5170.7-169.80000107.7R124 Y168 L173 L179 N182 P203R124-V184 PolarHBondContact NH1-O 3.05Å; Y168-V184 HydrophobicContact CD1-CB 4.33Å; Y168-V184 HydrophobicContact CD1-CG2 3.55Å; Y168-V184 HydrophobicContact CD2-CG2 4.19Å; Y168-V184 HydrophobicContact CE1-CB 4.25Å; Y168-V184 HydrophobicContact CE1-CG1 4.37Å; Y168-V184 HydrophobicContact CE1-CG2 3.97Å; Y168-V184 HydrophobicContact CE2-CG1 4.35Å; Y168-V184 HydrophobicContact CG-CG2 3.66Å; L173-V184 HydrophobicContact CD2-CG2 4.43Å; L179-V184 CarbonylContact C-O 3.54Å; L179-V184 HydrophobicContact CB-CB 4.08Å; L179-V184 HydrophobicContact CD2-CB 4.31Å; L179-V184 HydrophobicContact CD2-CG1 4.5Å; L179-V184 HydrophobicContact CD2-CG2 4.28Å; L179-V184 WeakPolarHBondContact O-CA 3.48Å; L179-V184 WeakPolarHBondContact O-CB 3.26Å; L179-V184 PolarHBondContact O-N 2.95Å; N182-V184 VanDerWaalsContact C-N 3.32Å; V184-P203 HydrophobicContact CG1-CB 4.04Å; V184-P203 HydrophobicContact CG1-CG 4.17Å
185M91.1Very high93.3Very high107 Ų10779.8 Ų79.853%0.52740%0.398SS..  trans-67.1158.9-175.1-64.8-58.8-67.700112.5R124 G183R124-M185 PolarHBondContact NH1-O 3.13Å; R124-M185 PolarHBondContact NH2-O 3.45Å; G183-M185 VanDerWaalsContact C-N 3.35Å; G183-M185 PolarHBondContact O-N 3.43Å
186D90.1Very high93.1Very high47 Ų4781 Ų8125%0.25140%0.404SS..  trans-102100176.9177.3-0.9000109K122 D188K122-D186 VanDerWaalsContact CD-OD2 3.3Å; K122-D186 WeakPolarHBondContact CD-OD2 3.28Å; K122-D186 VanDerWaalsContact CE-OD2 3.23Å; K122-D186 WeakPolarHBondContact CE-OD2 2.94Å; K122-D186 IonicContact NZ-OD1 3.57Å; K122-D186 PolarHBondContact NZ-OD1 3.3Å; K122-D186 IonicContact NZ-OD2 3.96Å; K122-D186 PolarHBondContact NZ-OD2 3.28Å; D186-D188 VanDerWaalsContact C-N 3.35Å; D186-D188 WeakPolarHBondContact OD1-CB 3.35Å; D186-D188 PolarHBondContact OD1-N 2.84Å
187D89.2Confident92.8Very high75 Ų7577 Ų7740%0.40139%0.389SS..  trans-94.19.8-171.1-54.7-31.4000112.5L189 E190 L191D187-L189 PolarHBondContact O-N 2.67Å; D187-L189 VanDerWaalsContact O-N 3.14Å; D187-E190 PolarHBondContact O-N 3.25Å; D187-L191 HydrophobicContact CB-CD1 4.49Å; D187-L191 HydrophobicContact CB-CG 4.44Å; D187-L191 WeakPolarHBondContact O-CG 3.11Å; D187-L191 PolarHBondContact O-N 3.27Å
188D88.1Confident92.2Very high35 Ų3577.5 Ų77.519%0.18739%0.388CS..Hα-helixtrans-53.4-40.2-175.3-83-15.4000113.4K122 D186 E192K122-D188 WeakPolarHBondContact CE-OD2 3.45Å; K122-D188 IonicContact NZ-OD2 3.78Å; K122-D188 PolarHBondContact NZ-OD2 3.22Å; D186-D188 VanDerWaalsContact C-N 3.35Å; D186-D188 WeakPolarHBondContact OD1-CB 3.35Å; D186-D188 PolarHBondContact OD1-N 2.84Å; D188-E192 WeakPolarHBondContact O-CB 3.48Å; D188-E192 PolarHBondContact O-N 3.22Å
189L89.1Confident91.7Very high115 Ų11582.2 Ų82.260%0.60241%0.412SS*.Hα-helixtrans-68.3-40.8-179.8-17768.7000111.1D187 E192 Q193D187-L189 PolarHBondContact O-N 2.67Å; D187-L189 VanDerWaalsContact O-N 3.14Å; L189-E192 PolarHBondContact O-N 2.9Å; L189-Q193 VanDerWaalsContact O-CG 3.24Å; L189-Q193 WeakPolarHBondContact O-CG 3.31Å; L189-Q193 PolarHBondContact O-N 3.48Å
190E90.8Very high91.2Very high112 Ų11288 Ų8852%0.52344%0.442SS..Hα-helixtrans-67.7-45.5177.5-177.5173-174.800110.5D187 E192 Q193 L194D187-E190 PolarHBondContact O-N 3.25Å; E190-E192 VanDerWaalsContact C-N 3.29Å; E190-E192 PolarHBondContact O-N 3.06Å; E190-Q193 PolarHBondContact O-N 2.58Å; E190-L194 HydrophobicContact CG-CD1 3.91Å; E190-L194 HydrophobicContact CG-CG 4.44Å; E190-L194 WeakPolarHBondContact O-CB 3.43Å; E190-L194 WeakPolarHBondContact O-CG 3.34Å; E190-L194 PolarHBondContact O-N 3Å
191L91.8Very high90.9Very high18 Ų1890.9 Ų90.99%0.09445%0.449CS..Hα-helixtrans-58.5-41.4175.3-67.3171.5000111.7D187 L194 R195 M196 R198 F201D187-L191 HydrophobicContact CB-CD1 4.49Å; D187-L191 HydrophobicContact CB-CG 4.44Å; D187-L191 WeakPolarHBondContact O-CG 3.11Å; D187-L191 PolarHBondContact O-N 3.27Å; L191-L194 CarbonylContact O-C 3.5Å; L191-L194 PolarHBondContact O-N 3.28Å; L191-R195 PolarHBondContact O-N 3.2Å; L191-M196 HydrophobicContact CB-CB 4.45Å; L191-M196 HydrophobicContact CD2-CB 3.82Å; L191-M196 HydrophobicContact CD2-CE 4.14Å; L191-M196 HydrophobicContact CD2-SD 4.25Å; L191-M196 PolarHBondContact O-N 2.72Å; L191-R198 HydrophobicContact CB-CG 4.42Å; L191-R198 HydrophobicContact CD1-CG 4.4Å; L191-F201 HydrophobicContact CD1-CB 3.86Å; L191-F201 HydrophobicContact CD2-CB 3.95Å; L191-F201 HydrophobicContact CD2-CD1 4.47Å; L191-F201 HydrophobicContact CD2-CD2 3.77Å; L191-F201 HydrophobicContact CD2-CG 3.79Å
192E90.7Very high90.8Very high119 Ų11986.7 Ų86.756%0.55643%0.427SS*.Hα-helixtrans-64.3-45.2175.7-172.4171.9-179.500112.3D188 L189 E190 L194 R195 R198D188-E192 WeakPolarHBondContact O-CB 3.48Å; D188-E192 PolarHBondContact O-N 3.22Å; L189-E192 PolarHBondContact O-N 2.9Å; E190-E192 VanDerWaalsContact C-N 3.29Å; E190-E192 PolarHBondContact O-N 3.06Å; E192-L194 VanDerWaalsContact C-N 3.29Å; E192-L194 PolarHBondContact O-N 3.03Å; E192-R195 PolarHBondContact O-N 3.23Å; E192-R195 VanDerWaalsContact O-N 3.08Å; E192-R198 IonicContact OE2-NH2 2.87Å; E192-R198 PolarHBondContact OE2-NH2 3.39Å
193Q93.8Very high90.7Very high141 Ų14186.5 Ų86.566%0.65943%0.427SS*.Hα-helixtrans-61.5-38.7177.1-73.9173.26.700112L189 E190 R195L189-Q193 VanDerWaalsContact O-CG 3.24Å; L189-Q193 WeakPolarHBondContact O-CG 3.31Å; L189-Q193 PolarHBondContact O-N 3.48Å; E190-Q193 PolarHBondContact O-N 2.58Å; Q193-R195 VanDerWaalsContact C-N 3.28Å
194L94.4Very high90.8Very high103 Ų10386 Ų8654%0.53942%0.42SS..THydrogen-bonded Turntrans-82.1-3.9177.3-63.1176.5000113.4E190 L191 E192 M196E190-L194 HydrophobicContact CG-CD1 3.91Å; E190-L194 HydrophobicContact CG-CG 4.44Å; E190-L194 WeakPolarHBondContact O-CB 3.43Å; E190-L194 WeakPolarHBondContact O-CG 3.34Å; E190-L194 PolarHBondContact O-N 3Å; L191-L194 CarbonylContact O-C 3.5Å; L191-L194 PolarHBondContact O-N 3.28Å; E192-L194 VanDerWaalsContact C-N 3.29Å; E192-L194 PolarHBondContact O-N 3.03Å; L194-M196 HydrophobicContact CB-CG 3.83Å; L194-M196 HydrophobicContact CB-SD 3.72Å; L194-M196 HydrophobicContact CD1-SD 3.77Å; L194-M196 HydrophobicContact CG-SD 4.41Å; L194-M196 PolarHBondContact O-N 3.43Å
195R92Very high90.9Very high235 Ų23586 Ų8689%0.88742%0.42SS*.THydrogen-bonded Turntrans54.838.9-175.3-55.8-177.5177-169.6-1.7113L191 E192 Q193L191-R195 PolarHBondContact O-N 3.2Å; E192-R195 PolarHBondContact O-N 3.23Å; E192-R195 VanDerWaalsContact O-N 3.08Å; Q193-R195 VanDerWaalsContact C-N 3.28Å
196M92.1Very high91.2Very high72 Ų7283.3 Ų83.336%0.35541%0.407SS..  trans-90.7148.7177.4-66.9174.46400110.3L191 L194 R198 F201L191-M196 HydrophobicContact CB-CB 4.45Å; L191-M196 HydrophobicContact CD2-CB 3.82Å; L191-M196 HydrophobicContact CD2-CE 4.14Å; L191-M196 HydrophobicContact CD2-SD 4.25Å; L191-M196 PolarHBondContact O-N 2.72Å; L194-M196 HydrophobicContact CB-CG 3.83Å; L194-M196 HydrophobicContact CB-SD 3.72Å; L194-M196 HydrophobicContact CD1-SD 3.77Å; L194-M196 HydrophobicContact CG-SD 4.41Å; L194-M196 PolarHBondContact O-N 3.43Å; M196-R198 PolarHBondContact O-N 3.44Å; M196-F201 HydrophobicContact CB-CD2 4.45Å; M196-F201 HydrophobicContact CB-CE2 4.2Å; M196-F201 HydrophobicContact CE-CD1 4.28Å; M196-F201 HydrophobicContact CE-CD2 3.96Å; M196-F201 HydrophobicContact CE-CE1 3.58Å; M196-F201 HydrophobicContact CE-CE2 3.24Å; M196-F201 HydrophobicContact CE-CG 4.46Å; M196-F201 HydrophobicContact CE-CZ 3.02Å
197D87.9Confident91.5Very high88 Ų8881 Ų8147%0.47140%0.395SS..  trans-75.3116.3178.5-174.3-5.9000110.5D199 L200 F201D197-D199 PolarHBondContact O-N 3.28Å; D197-D199 PolarHBondContact OD1-N 3.06Å; D197-D199 VanDerWaalsContact OD1-N 3.13Å; D197-L200 HydrophobicContact CB-CD1 4.01Å; D197-L200 HydrophobicContact CB-CG 4.1Å; D197-L200 PolarHBondContact O-N 3.42Å; D197-F201 VanDerWaalsContact O-CD2 3.26Å; D197-F201 WeakPolarHBondContact O-CD2 3.44Å
198R84.9Confident91.7Very high102 Ų10281.5 Ų81.539%0.38539%0.391SS..G310 helixtrans-62-30.5-176-61.4-176.4-174.9177.51.4112.6L191 E192 M196 L200 F201L191-R198 HydrophobicContact CB-CG 4.42Å; L191-R198 HydrophobicContact CD1-CG 4.4Å; E192-R198 IonicContact OE2-NH2 2.87Å; E192-R198 PolarHBondContact OE2-NH2 3.39Å; M196-R198 PolarHBondContact O-N 3.44Å; R198-L200 PolarHBondContact O-N 2.99Å; R198-F201 PolarHBondContact O-N 3.05Å; R198-F201 VanDerWaalsContact O-N 3.16Å
199D85.3Confident91.8Very high126 Ų12684.1 Ų84.167%0.67440%0.401SS*.G310 helixtrans-68.9-22.2-177.4-66.9-14.1000112D197D197-D199 PolarHBondContact O-N 3.28Å; D197-D199 PolarHBondContact OD1-N 3.06Å; D197-D199 VanDerWaalsContact OD1-N 3.13Å
200L86.9Confident91.8Very high125 Ų12581.6 Ų81.665%0.65439%0.388SS*.G310 helixtrans-82.6-20.7176.9-62.1-179.7000113.4D197 R198D197-L200 HydrophobicContact CB-CD1 4.01Å; D197-L200 HydrophobicContact CB-CG 4.1Å; D197-L200 PolarHBondContact O-N 3.42Å; R198-L200 PolarHBondContact O-N 2.99Å
201F88.8Confident90.9Very high106 Ų10683.6 Ų83.647%0.46540%0.403SS..SBendtrans-111.620.7-173.4-65.1-83.3000113.1L191 M196 D197 R198 P203L191-F201 HydrophobicContact CD1-CB 3.86Å; L191-F201 HydrophobicContact CD2-CB 3.95Å; L191-F201 HydrophobicContact CD2-CD1 4.47Å; L191-F201 HydrophobicContact CD2-CD2 3.77Å; L191-F201 HydrophobicContact CD2-CG 3.79Å; M196-F201 HydrophobicContact CB-CD2 4.45Å; M196-F201 HydrophobicContact CB-CE2 4.2Å; M196-F201 HydrophobicContact CE-CD1 4.28Å; M196-F201 HydrophobicContact CE-CD2 3.96Å; M196-F201 HydrophobicContact CE-CE1 3.58Å; M196-F201 HydrophobicContact CE-CE2 3.24Å; M196-F201 HydrophobicContact CE-CG 4.46Å; M196-F201 HydrophobicContact CE-CZ 3.02Å; D197-F201 VanDerWaalsContact O-CD2 3.26Å; D197-F201 WeakPolarHBondContact O-CD2 3.44Å; R198-F201 PolarHBondContact O-N 3.05Å; R198-F201 VanDerWaalsContact O-N 3.16Å; F201-P203 WeakPolarHBondContact O-CD 3.46Å
202V93.9Very high89.6Confident22 Ų2285.4 Ų85.413%0.13341%0.413CS..PPolyproline II helixtrans-62.8122.4175.6-174.60000109.7W125 R127 L138W125-V202 HydrophobicContact CB-CG1 3.89Å; W125-V202 HydrophobicContact CB-CG2 4.37Å; W125-V202 WeakPolarHBondContact O-CG1 3.06Å; R127-V202 HydrophobicContact CG-CB 4.16Å; R127-V202 HydrophobicContact CG-CG1 3.72Å; L138-V202 HydrophobicContact CD2-CG1 4.23Å
203P95Very high88.1Confident23 Ų2388.2 Ų88.215%0.14943%0.43CS..PPolyproline II helixtrans-67.7139.5-17525.8-33.7000111.6I126 R127 Y168 V184 F201I126-P203 HydrophobicContact CG2-CG 4.25Å; R127-P203 PolarHBondContact N-O 2.95Å; Y168-P203 HydrophobicContact CE2-CB 4.07Å; V184-P203 HydrophobicContact CG1-CB 4.04Å; V184-P203 HydrophobicContact CG1-CG 4.17Å; F201-P203 WeakPolarHBondContact O-CD 3.46Å
204A95.8Very high86.3Confident36 Ų3685.1 Ų85.130%0.29842%0.421SS..EExtended strand (participates in β ladder)trans-103.6118.4-178.800000111.7R127 V129 Y168R127-A204 HydrophobicContact CB-CB 4.36Å; R127-A204 CarbonylContact O-C 3.56Å; R127-A204 WeakPolarHBondContact O-CA 3.15Å; V129-A204 HydrophobicContact CG2-CB 4.49Å; Y168-A204 WeakPolarHBondContact CD2-O 3.43Å
205I97.3Very high84.1Confident0 Ų089.6 Ų89.60%044%0.439CS..EExtended strand (participates in β ladder)trans-98.4126.9171.3-55.9178.3000108.4I126 R127 V128 V129 L147 W166 L173 L179I126-I205 HydrophobicContact CD1-CD1 4.04Å; R127-I205 PolarHBondContact O-N 3.16Å; V128-I205 WeakPolarHBondContact CA-O 3.39Å; V129-I205 PolarHBondContact N-O 2.93Å; L147-I205 HydrophobicContact CD1-CD1 4.42Å; W166-I205 HydrophobicContact CB-CG2 4.36Å; W166-I205 HydrophobicContact CE3-CG2 3.72Å; W166-I205 HydrophobicContact CZ3-CG2 4.42Å; L173-I205 HydrophobicContact CD1-CD1 4.21Å; L173-I205 HydrophobicContact CD1-CG1 4.44Å; L173-I205 HydrophobicContact CD1-CG2 3.79Å; L179-I205 HydrophobicContact CD2-CD1 3.67Å
206L97.3Very high81.8Confident49 Ų4984.7 Ų84.726%0.25746%0.462SS..EExtended strand (participates in β ladder)trans-98.3131.2-174.6-56.4-176.6000110.5V129 T131 K167 Y208V129-L206 HydrophobicContact CB-CD2 3.87Å; V129-L206 HydrophobicContact CG1-CD2 4.36Å; V129-L206 HydrophobicContact CG2-CD2 4.4Å; V129-L206 WeakPolarHBondContact O-CA 3.44Å; T131-L206 HydrophobicContact CG2-CB 3.98Å; T131-L206 HydrophobicContact CG2-CD2 4.4Å; K167-L206 PolarHBondContact N-O 3.26Å; K167-L206 PolarHBondContact O-N 3.08Å; L206-Y208 HydrophobicContact CB-CD2 4.33Å; L206-Y208 HydrophobicContact CB-CE2 3.65Å; L206-Y208 HydrophobicContact CD1-CE2 4.28Å
207L96.1Very high81.3Confident0 Ų085.4 Ų85.40%047%0.468CS..EExtended strand (participates in β ladder)trans-101.3119.8174.2-52.5-174000110.4V128 V129 T131 Y154 Y164 W166V128-L207 HydrophobicContact CG1-CD1 3.47Å; V128-L207 VanDerWaalsContact CG1-CD1 3.47Å; V128-L207 HydrophobicContact CG1-CD2 3.92Å; V128-L207 HydrophobicContact CG1-CG 3.59Å; V129-L207 PolarHBondContact O-N 3.07Å; T131-L207 PolarHBondContact N-O 3.17Å; T131-L207 PolarHBondContact OG1-O 2.81Å; Y154-L207 HydrophobicContact CD1-CD1 4.04Å; Y154-L207 HydrophobicContact CE1-CD1 3.23Å; Y164-L207 HydrophobicContact CD1-CB 3.71Å; Y164-L207 HydrophobicContact CG-CB 4.31Å; W166-L207 HydrophobicContact CB-CD2 4.24Å; W166-L207 HydrophobicContact CD2-CD2 3.21Å; W166-L207 HydrophobicContact CE3-CD2 3.74Å; W166-L207 HydrophobicContact CG-CD2 3.44Å; W166-L207 VanDerWaalsContact CG-CD2 3.44Å; W166-L207 HydrophobicContact CH2-CD2 4.23Å; W166-L207 HydrophobicContact CZ2-CD1 4.4Å; W166-L207 HydrophobicContact CZ2-CD2 3.78Å; W166-L207 HydrophobicContact CZ3-CD2 4.21Å
208Y93.9Very high81Confident85 Ų8585.2 Ų85.233%0.33347%0.468SS..EExtended strand (participates in β ladder)trans-103.3122.1174.1-69.1-93.8000109.2T131 Y164 T165 K167 L206 N210T131-Y208 HydrophobicContact CG2-CE1 4.19Å; T131-Y208 HydrophobicContact CG2-CE2 4.24Å; Y164-Y208 CarbonylContact C-O 3.52Å; Y164-Y208 WeakPolarHBondContact CA-O 3.36Å; T165-Y208 PolarHBondContact N-O 2.9Å; T165-Y208 PolarHBondContact O-N 3.47Å; K167-Y208 HydrophobicContact CB-CD2 4.22Å; K167-Y208 HydrophobicContact CB-CE2 4.02Å; K167-Y208 HydrophobicContact CD-CD2 3.7Å; K167-Y208 HydrophobicContact CD-CE2 3.69Å; K167-Y208 HydrophobicContact CG-CD2 3.89Å; K167-Y208 HydrophobicContact CG-CE2 4.07Å; L206-Y208 HydrophobicContact CB-CD2 4.33Å; L206-Y208 HydrophobicContact CB-CE2 3.65Å; L206-Y208 HydrophobicContact CD1-CE2 4.28Å; Y208-N210 PolarHBondContact O-N 3.37Å
209F90.5Very high80.7Confident90 Ų9084.3 Ų84.340%0.39547%0.472SS..EExtended strand (participates in β ladder)trans-62.6127.7174.4-179.6-109.4000109.7L132 Y164 D211L132-F209 HydrophobicContact CB-CB 4.46Å; L132-F209 HydrophobicContact CD2-CB 3.93Å; L132-F209 HydrophobicContact CD2-CD1 4.26Å; L132-F209 HydrophobicContact CD2-CG 4Å; Y164-F209 HydrophobicContact CD1-CB 4.19Å; Y164-F209 HydrophobicContact CD2-CD2 4.43Å; Y164-F209 HydrophobicContact CE1-CB 3.8Å; Y164-F209 HydrophobicContact CE1-CD2 4.13Å; Y164-F209 HydrophobicContact CE1-CG 4.47Å; Y164-F209 AromaticContact CE2-CD2 3.81Å; Y164-F209 HydrophobicContact CE2-CD2 3.81Å; Y164-F209 HydrophobicContact CE2-CE2 4.49Å; Y164-F209 AromaticContact CZ-CD2 3.65Å; F209-D211 HydrophobicContact CE1-CB 4.48Å
210N87.9Confident80.5Confident61 Ų6181.8 Ų81.833%0.32646%0.46SS..PPolyproline II helixtrans-87.9133.9166.2-57.4-38.7000107.1S163 T165 Y208 D212S163-N210 WeakPolarHBondContact O-CB 3.5Å; S163-N210 VanDerWaalsContact O-CG 3.27Å; S163-N210 PolarHBondContact O-N 3.38Å; S163-N210 PolarHBondContact O-ND2 2.82Å; T165-N210 VanDerWaalsContact OG1-CG 3.3Å; T165-N210 PolarHBondContact OG1-ND2 2.95Å; T165-N210 VanDerWaalsContact OG1-ND2 3.07Å; T165-N210 PolarHBondContact OG1-OD1 2.94Å; Y208-N210 PolarHBondContact O-N 3.37Å; N210-D212 PolarHBondContact O-N 3.34Å
211D73.5Confident80.1Confident154 Ų15479.1 Ų79.182%0.82445%0.448SS*.  trans-77.469.6173.6-167.211.1000108.8F209F209-D211 HydrophobicContact CE1-CB 4.48Å
212D63.8Low79.5Confident57 Ų5777.3 Ų77.331%0.30545%0.447SS..  trans-103.1129.2172.660.5-6.6000109.8S163 N210 T214S163-D212 VanDerWaalsContact CB-OD1 3.25Å; S163-D212 WeakPolarHBondContact CB-OD1 3.27Å; S163-D212 WeakPolarHBondContact CB-OD2 3.07Å; S163-D212 PolarHBondContact OG-OD1 3.5Å; S163-D212 PolarHBondContact OG-OD2 3.22Å; N210-D212 PolarHBondContact O-N 3.34Å; D212-T214 HydrophobicContact CB-CG2 4.4Å; D212-T214 PolarHBondContact O-N 2.89Å
213L59.7Low78.5Confident177 Ų17781.3 Ų81.393%0.92747%0.469SS*.  trans-72.567173.3-70.5164.1000109.4E215L213-E215 PolarHBondContact O-N 3.34Å
214T56.1Low77.2Confident77 Ų7785.8 Ų85.847%0.47249%0.494SS..  trans-86.7101.8169.352.70000108.7S163 D212S163-T214 PolarHBondContact OG-OG1 3.5Å; D212-T214 HydrophobicContact CB-CG2 4.4Å; D212-T214 PolarHBondContact O-N 2.89Å
215E48.2Very low75.6Confident196 Ų19689.9 Ų89.992%0.91651%0.51SS*.  trans-60.3134.5167.1-69-174.3162.200109.4L213L213-E215 PolarHBondContact O-N 3.34Å
216G43.5Very low73.7Confident133 Ų13398.1 Ų98.1100%1.37156%0.557SS**  trans-72.70-164.900000117.3

Retrieved 216 of 216 residues in 712.7 ms (Link to these results)

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