A0A5K4F172_SCHMA Loading...

Baculoviral IAP repeat-containing protein 5

AlphaFold DB , UniProt , Accession A0A5K4F172, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 174 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.6Very low70.2Confident236 Ų236112.8 Ų112.8100%1.16361%0.606SS**  0115.90-62.7-173.5174.700107.2V3M1-V3 PolarHBondContact O-N 3.22Å
2S41.4Very low72.2Confident121 Ų121103.6 Ų103.685%0.84656%0.557SS**  trans-68.5105.6179.761.70000108.6S4S2-S4 PolarHBondContact O-N 2.99Å
3V42.4Very low73.8Confident139 Ų13996.6 Ų96.684%0.84252%0.521SS*.  trans-64.4109171.3-149.50000105.4M1 T5M1-V3 PolarHBondContact O-N 3.22Å; V3-T5 PolarHBondContact O-N 3.09Å; V3-T5 VanDerWaalsContact O-N 3.15Å
4S59.8Low75.1Confident54 Ų5494.8 Ų94.838%0.37851%0.511SS..PPolyproline II helixtrans-60.2121.7-17657.70000108.9S2 P48S2-S4 PolarHBondContact O-N 2.99Å; S4-P48 VanDerWaalsContact CB-CB 3.42Å
5T66.3Low76.5Confident118 Ų11892.6 Ų92.672%0.72449%0.493SS*.PPolyproline II helixtrans-57.9130.7-179.230.30000109.7V3V3-T5 PolarHBondContact O-N 3.09Å; V3-T5 VanDerWaalsContact O-N 3.15Å
6P81Confident77.7Confident118 Ų11891.5 Ų91.577%0.76650%0.495SS*.PPolyproline II helixtrans-54.2143.7174.1-24.433000110.7D8P6-D8 PolarHBondContact O-N 3.15Å
7I88.9Confident78.7Confident36 Ų3688 Ų8819%0.18547%0.473CS..PPolyproline II helixtrans-61.3123.2176.3-66.3-66.3000109.7R9 L12 Y17 T21 Y44 R45I7-R9 HydrophobicContact CG2-CG 4.41Å; I7-R9 PolarHBondContact O-N 3.33Å; I7-L12 HydrophobicContact CG2-CD1 4.04Å; I7-L12 HydrophobicContact CG2-CD2 3.92Å; I7-L12 HydrophobicContact CG2-CG 4.13Å; I7-Y17 HydrophobicContact CG2-CE1 4.5Å; I7-T21 HydrophobicContact CD1-CG2 3.68Å; I7-Y44 HydrophobicContact CD1-CD2 4.29Å; I7-Y44 HydrophobicContact CD1-CE2 4.45Å; I7-Y44 HydrophobicContact CG1-CE2 4.24Å; I7-Y44 HydrophobicContact CG2-CD2 4.39Å; I7-Y44 HydrophobicContact CG2-CE2 3.86Å; I7-R45 WeakPolarHBondContact CD1-O 3.24Å
8D91.1Very high79.7Confident60 Ų6083.1 Ų83.132%0.32145%0.447SS..  trans-77.699.2167.7-177-10.3000108.8P6 F10 R11 Y17P6-D8 PolarHBondContact O-N 3.15Å; D8-F10 PolarHBondContact O-N 2.96Å; D8-F10 WeakPolarHBondContact OD1-CB 3.48Å; D8-F10 PolarHBondContact OD1-N 3.4Å; D8-R11 HydrophobicContact CB-CB 4.42Å; D8-R11 HydrophobicContact CB-CG 4.38Å; D8-R11 PolarHBondContact O-N 2.95Å; D8-R11 WeakPolarHBondContact OD2-CD 3.42Å; D8-R11 VanDerWaalsContact OD2-CG 3.24Å; D8-R11 WeakPolarHBondContact OD2-CG 2.95Å; D8-Y17 HydrophobicContact CB-CE1 4.29Å; D8-Y17 WeakPolarHBondContact CB-OH 3.44Å; D8-Y17 PolarHBondContact N-OH 3.45Å; D8-Y17 VanDerWaalsContact O-CE1 3.26Å; D8-Y17 WeakPolarHBondContact O-CE1 3.45Å
9R87.3Confident80.6Confident73 Ų7381.2 Ų81.228%0.27544%0.436SS..G310 helixtrans-63.5-28.5-177.8-68.6-172.7174.9-820.8112.8I7 R11 L12 Y44 R106 Y110I7-R9 HydrophobicContact CG2-CG 4.41Å; I7-R9 PolarHBondContact O-N 3.33Å; R9-R11 VanDerWaalsContact C-N 3.25Å; R9-R11 PolarHBondContact O-N 3.05Å; R9-L12 HydrophobicContact CB-CD1 4.32Å; R9-L12 HydrophobicContact CG-CD1 4.25Å; R9-L12 PolarHBondContact O-N 3.47Å; R9-Y44 PolarHBondContact NH1-OH 3.48Å; R9-R106 PolarHBondContact O-NH2 2.77Å; R9-Y110 VanDerWaalsContact CD-OH 3.29Å; R9-Y110 WeakPolarHBondContact CD-OH 3.49Å; R9-Y110 VanDerWaalsContact NE-CZ 3.25Å; R9-Y110 PolarHBondContact NE-OH 3.12Å
10F87.9Confident81.3Confident146 Ų14680.7 Ų80.764%0.6444%0.439SS*.G310 helixtrans-64.3-35.7179.7-65.1-84.6000111D8 L12 R106 Y107D8-F10 PolarHBondContact O-N 2.96Å; D8-F10 WeakPolarHBondContact OD1-CB 3.48Å; D8-F10 PolarHBondContact OD1-N 3.4Å; F10-L12 PolarHBondContact O-N 3.23Å; F10-R106 PolarHBondContact O-NH2 3.18Å; F10-Y107 AromaticContact CD1-CZ 3.92Å; F10-Y107 WeakPolarHBondContact CD1-OH 3.49Å; F10-Y107 HydrophobicContact CE1-CE1 4.33Å; F10-Y107 AromaticContact CE1-CZ 3.88Å; F10-Y107 WeakPolarHBondContact CE1-OH 3.27Å; F10-Y107 WeakPolarHBondContact CG-OH 3.2Å
11R92.6Very high82Confident140 Ų14077.6 Ų77.653%0.52842%0.423SS..G310 helixtrans-84-5-176.2-64.1-179.774.1175.33.7114.8D8 R9 S13 N14 Y17D8-R11 HydrophobicContact CB-CB 4.42Å; D8-R11 HydrophobicContact CB-CG 4.38Å; D8-R11 PolarHBondContact O-N 2.95Å; D8-R11 WeakPolarHBondContact OD2-CD 3.42Å; D8-R11 VanDerWaalsContact OD2-CG 3.24Å; D8-R11 WeakPolarHBondContact OD2-CG 2.95Å; R9-R11 VanDerWaalsContact C-N 3.25Å; R9-R11 PolarHBondContact O-N 3.05Å; R11-S13 PolarHBondContact O-N 2.75Å; R11-S13 VanDerWaalsContact O-N 3.14Å; R11-N14 VanDerWaalsContact O-CB 3.32Å; R11-N14 WeakPolarHBondContact O-CB 3.48Å; R11-N14 PolarHBondContact O-N 3.39Å; R11-Y17 HydrophobicContact CB-CD1 3.56Å; R11-Y17 HydrophobicContact CB-CD2 4.06Å; R11-Y17 HydrophobicContact CB-CE1 3.93Å; R11-Y17 HydrophobicContact CB-CE2 4.4Å; R11-Y17 HydrophobicContact CB-CG 3.64Å; R11-Y17 WeakPolarHBondContact O-CB 3.43Å; R11-Y17 WeakPolarHBondContact O-CD1 3.4Å
12L94.2Very high84.9Confident2 Ų266.6 Ų66.61%0.0137%0.369CS..G310 helixtrans-64.8-17.7-177-71.9173.7000114.6I7 R9 F10 N14 Y17 R18 Y44 F57I7-L12 HydrophobicContact CG2-CD1 4.04Å; I7-L12 HydrophobicContact CG2-CD2 3.92Å; I7-L12 HydrophobicContact CG2-CG 4.13Å; R9-L12 HydrophobicContact CB-CD1 4.32Å; R9-L12 HydrophobicContact CG-CD1 4.25Å; R9-L12 PolarHBondContact O-N 3.47Å; F10-L12 PolarHBondContact O-N 3.23Å; L12-N14 PolarHBondContact O-N 3.47Å; L12-Y17 HydrophobicContact CD2-CD1 4.1Å; L12-Y17 HydrophobicContact CD2-CE1 4.02Å; L12-Y17 HydrophobicContact CG-CE1 4.45Å; L12-R18 HydrophobicContact CD2-CG 4.47Å; L12-R18 VanDerWaalsContact O-CD 3.26Å; L12-R18 WeakPolarHBondContact O-CD 3.33Å; L12-R18 WeakPolarHBondContact O-CG 3.16Å; L12-R18 PolarHBondContact O-NH1 3.38Å; L12-Y44 HydrophobicContact CD1-CD1 4.38Å; L12-Y44 HydrophobicContact CD1-CE1 3.8Å; L12-Y44 HydrophobicContact CD1-CE2 3.98Å; L12-Y44 HydrophobicContact CD2-CD1 3.8Å; L12-Y44 HydrophobicContact CD2-CD2 3.5Å; L12-Y44 HydrophobicContact CD2-CE1 4.05Å; L12-Y44 HydrophobicContact CD2-CE2 3.73Å; L12-Y44 HydrophobicContact CD2-CG 3.53Å; L12-F57 HydrophobicContact CB-CB 3.94Å
13S92.5Very high87.3Confident13 Ų1364.1 Ų64.19%0.09135%0.351CS..G310 helixtrans-68.7-24.7172.340.70000112R11 R18 Y91 D103 R106R11-S13 PolarHBondContact O-N 2.75Å; R11-S13 VanDerWaalsContact O-N 3.14Å; S13-R18 VanDerWaalsContact C-NH1 3.29Å; S13-R18 PolarHBondContact O-NH1 2.93Å; S13-Y91 VanDerWaalsContact CB-CZ 3.47Å; S13-Y91 VanDerWaalsContact O-CD1 3.3Å; S13-Y91 WeakPolarHBondContact O-CD1 2.8Å; S13-D103 WeakPolarHBondContact CB-OD1 3.41Å; S13-R106 VanDerWaalsContact N-NH1 3.13Å
14N93Very high89.6Confident71 Ų7164.9 Ų64.938%0.3835%0.351SS..SBendtrans-80.5122.9176.6-176-83.4000111.8R11 L12 S16 Y17 R18R11-N14 VanDerWaalsContact O-CB 3.32Å; R11-N14 WeakPolarHBondContact O-CB 3.48Å; R11-N14 PolarHBondContact O-N 3.39Å; L12-N14 PolarHBondContact O-N 3.47Å; N14-S16 PolarHBondContact O-N 2.79Å; N14-S16 WeakPolarHBondContact OD1-CA 3.5Å; N14-S16 VanDerWaalsContact OD1-CB 3.27Å; N14-S16 WeakPolarHBondContact OD1-CB 3.33Å; N14-S16 PolarHBondContact OD1-N 3.24Å; N14-Y17 PolarHBondContact O-N 2.98Å; N14-Y17 PolarHBondContact OD1-N 3.01Å; N14-R18 PolarHBondContact O-N 3.41Å; N14-R18 VanDerWaalsContact O-N 3.07Å
15Y95.3Very high91.2Very high62 Ų6263.5 Ų63.524%0.24334%0.337CS..Hα-helixtrans-52.4-50175.4164.1-97.7000113Y17 R18 L19 A39 K40 E92Y15-Y17 PolarHBondContact O-N 3.49Å; Y15-R18 WeakPolarHBondContact O-CB 3.48Å; Y15-R18 PolarHBondContact O-N 3.42Å; Y15-R18 VanDerWaalsContact O-N 3.09Å; Y15-L19 HydrophobicContact CE1-CD2 4.13Å; Y15-L19 WeakPolarHBondContact O-CB 3.44Å; Y15-L19 PolarHBondContact O-N 2.96Å; Y15-A39 HydrophobicContact CD2-CB 3.96Å; Y15-A39 HydrophobicContact CE2-CB 3.73Å; Y15-K40 HydrophobicContact CE2-CB 4.18Å; Y15-E92 WeakPolarHBondContact CA-OE1 3.45Å; Y15-E92 VanDerWaalsContact CB-CD 3.48Å; Y15-E92 WeakPolarHBondContact CB-OE1 3.09Å; Y15-E92 PolarHBondContact N-OE1 3.17Å
16S95.7Very high92.4Very high75 Ų7561.6 Ų61.652%0.52433%0.327SS..Hα-helixtrans-62.9-34.9-176.8-51.60000111.7N14 S20N14-S16 PolarHBondContact O-N 2.79Å; N14-S16 WeakPolarHBondContact OD1-CA 3.5Å; N14-S16 VanDerWaalsContact OD1-CB 3.27Å; N14-S16 WeakPolarHBondContact OD1-CB 3.33Å; N14-S16 PolarHBondContact OD1-N 3.24Å; S16-S20 WeakPolarHBondContact O-CB 3.48Å; S16-S20 PolarHBondContact O-N 3.29Å
17Y95.8Very high93Very high32 Ų3258.7 Ų58.713%0.12530%0.301CS..Hα-helixtrans-66.1-48.4172.7-172.2-107.4000111.3I7 D8 R11 L12 N14 Y15 L19 S20 T21I7-Y17 HydrophobicContact CG2-CE1 4.5Å; D8-Y17 HydrophobicContact CB-CE1 4.29Å; D8-Y17 WeakPolarHBondContact CB-OH 3.44Å; D8-Y17 PolarHBondContact N-OH 3.45Å; D8-Y17 VanDerWaalsContact O-CE1 3.26Å; D8-Y17 WeakPolarHBondContact O-CE1 3.45Å; R11-Y17 HydrophobicContact CB-CD1 3.56Å; R11-Y17 HydrophobicContact CB-CD2 4.06Å; R11-Y17 HydrophobicContact CB-CE1 3.93Å; R11-Y17 HydrophobicContact CB-CE2 4.4Å; R11-Y17 HydrophobicContact CB-CG 3.64Å; R11-Y17 WeakPolarHBondContact O-CB 3.43Å; R11-Y17 WeakPolarHBondContact O-CD1 3.4Å; L12-Y17 HydrophobicContact CD2-CD1 4.1Å; L12-Y17 HydrophobicContact CD2-CE1 4.02Å; L12-Y17 HydrophobicContact CG-CE1 4.45Å; N14-Y17 PolarHBondContact O-N 2.98Å; N14-Y17 PolarHBondContact OD1-N 3.01Å; Y15-Y17 PolarHBondContact O-N 3.49Å; Y17-L19 VanDerWaalsContact C-N 3.31Å; Y17-L19 PolarHBondContact O-N 3.48Å; Y17-S20 WeakPolarHBondContact O-CB 3.39Å; Y17-S20 PolarHBondContact O-N 3.44Å; Y17-S20 VanDerWaalsContact O-N 3.11Å; Y17-S20 PolarHBondContact O-OG 2.97Å; Y17-T21 HydrophobicContact CE1-CG2 4.47Å; Y17-T21 WeakPolarHBondContact O-CG2 3.5Å; Y17-T21 PolarHBondContact O-N 3.4Å
18R96Very high93Very high0 Ų062.8 Ų62.80%032%0.323CS..Hα-helixtrans-56.1-46.2175.5-66.1-165.2-60.7-800.3111.7L12 S13 N14 Y15 S20 T21 A39L12-R18 HydrophobicContact CD2-CG 4.47Å; L12-R18 VanDerWaalsContact O-CD 3.26Å; L12-R18 WeakPolarHBondContact O-CD 3.33Å; L12-R18 WeakPolarHBondContact O-CG 3.16Å; L12-R18 PolarHBondContact O-NH1 3.38Å; S13-R18 VanDerWaalsContact C-NH1 3.29Å; S13-R18 PolarHBondContact O-NH1 2.93Å; N14-R18 PolarHBondContact O-N 3.41Å; N14-R18 VanDerWaalsContact O-N 3.07Å; Y15-R18 WeakPolarHBondContact O-CB 3.48Å; Y15-R18 PolarHBondContact O-N 3.42Å; Y15-R18 VanDerWaalsContact O-N 3.09Å; R18-S20 VanDerWaalsContact C-N 3.31Å; R18-S20 PolarHBondContact O-N 3.41Å; R18-T21 WeakPolarHBondContact O-CB 3.42Å; R18-T21 PolarHBondContact O-N 3.02Å; R18-T21 VanDerWaalsContact O-N 3.11Å; R18-T21 PolarHBondContact O-OG1 2.99Å; R18-A39 HydrophobicContact CB-CB 4.18Å; R18-A39 PolarHBondContact NE-O 3.34Å; R18-A39 PolarHBondContact NH2-O 3.46Å
19L95.9Very high92.5Very high47 Ų4763.2 Ų63.225%0.24634%0.342CS..Hα-helixtrans-57.9-43.4176.8-179.359.9000111.7Y15 Y17 T21 L22 A35 E36 A39Y15-L19 HydrophobicContact CE1-CD2 4.13Å; Y15-L19 WeakPolarHBondContact O-CB 3.44Å; Y15-L19 PolarHBondContact O-N 2.96Å; Y17-L19 VanDerWaalsContact C-N 3.31Å; Y17-L19 PolarHBondContact O-N 3.48Å; L19-T21 PolarHBondContact O-N 2.93Å; L19-T21 VanDerWaalsContact O-N 3.16Å; L19-L22 WeakPolarHBondContact O-CB 3.35Å; L19-L22 PolarHBondContact O-N 3.34Å; L19-A35 HydrophobicContact CD1-CB 3.83Å; L19-E36 HydrophobicContact CD1-CG 4.3Å; L19-A39 HydrophobicContact CB-CB 3.92Å; L19-A39 HydrophobicContact CD1-CB 4.26Å
20S95.3Very high92.6Very high70 Ų7067.7 Ų67.749%0.4937%0.372SS..Hα-helixtrans-60.9-26.2178.979.30000113.7S16 Y17 R18 L22S16-S20 WeakPolarHBondContact O-CB 3.48Å; S16-S20 PolarHBondContact O-N 3.29Å; Y17-S20 WeakPolarHBondContact O-CB 3.39Å; Y17-S20 PolarHBondContact O-N 3.44Å; Y17-S20 VanDerWaalsContact O-N 3.11Å; Y17-S20 PolarHBondContact O-OG 2.97Å; R18-S20 VanDerWaalsContact C-N 3.31Å; R18-S20 PolarHBondContact O-N 3.41Å; S20-L22 VanDerWaalsContact C-N 3.25Å; S20-L22 PolarHBondContact O-N 3.45Å
21T95.5Very high92.9Very high17 Ų1761.4 Ų61.410%0.10435%0.346CS..Hα-helixtrans-72.1-21.2176.874.70000112.9I7 Y17 R18 L19 S23 Y44 R45I7-T21 HydrophobicContact CD1-CG2 3.68Å; Y17-T21 HydrophobicContact CE1-CG2 4.47Å; Y17-T21 WeakPolarHBondContact O-CG2 3.5Å; Y17-T21 PolarHBondContact O-N 3.4Å; R18-T21 WeakPolarHBondContact O-CB 3.42Å; R18-T21 PolarHBondContact O-N 3.02Å; R18-T21 VanDerWaalsContact O-N 3.11Å; R18-T21 PolarHBondContact O-OG1 2.99Å; L19-T21 PolarHBondContact O-N 2.93Å; L19-T21 VanDerWaalsContact O-N 3.16Å; T21-S23 PolarHBondContact O-N 3.02Å; T21-Y44 HydrophobicContact CG2-CD2 4.47Å; T21-Y44 WeakPolarHBondContact OG1-CA 3.37Å; T21-Y44 WeakPolarHBondContact OG1-CB 3.48Å; T21-R45 VanDerWaalsContact O-CB 3.28Å; T21-R45 WeakPolarHBondContact O-CB 3.33Å; T21-R45 PolarHBondContact OG1-N 2.89Å
22L94.8Very high93.1Very high5 Ų558.6 Ų58.63%0.02634%0.341CS..THydrogen-bonded Turntrans-92.731.2-179.3-63.8165.1000111.4L19 S20 W25 A35 M38 A39 R45 T54L19-L22 WeakPolarHBondContact O-CB 3.35Å; L19-L22 PolarHBondContact O-N 3.34Å; S20-L22 VanDerWaalsContact C-N 3.25Å; S20-L22 PolarHBondContact O-N 3.45Å; L22-W25 HydrophobicContact CB-CB 4.45Å; L22-W25 HydrophobicContact CD2-CD2 4.3Å; L22-W25 HydrophobicContact CD2-CE3 3.87Å; L22-W25 HydrophobicContact CD2-CZ3 4.22Å; L22-W25 WeakPolarHBondContact O-CB 3.45Å; L22-W25 PolarHBondContact O-N 2.95Å; L22-A35 HydrophobicContact CB-CB 3.96Å; L22-A35 HydrophobicContact CD1-CB 4.41Å; L22-A35 WeakPolarHBondContact CD1-O 3.41Å; L22-M38 HydrophobicContact CD1-CB 3.68Å; L22-A39 HydrophobicContact CD1-CB 4.24Å; L22-R45 HydrophobicContact CD2-CB 4.28Å; L22-T54 HydrophobicContact CD2-CG2 3.92Å
23S91.6Very high93.1Very high68 Ų6858.5 Ų58.548%0.47634%0.34SS..THydrogen-bonded Turntrans-59.7139.7172.257.90000111T21 W25 R45T21-S23 PolarHBondContact O-N 3.02Å; S23-W25 PolarHBondContact O-N 3.1Å; S23-R45 PolarHBondContact O-NH1 3.22Å; S23-R45 PolarHBondContact O-NH2 2.9Å
24N90.8Very high93.3Very high156 Ų15658.3 Ų58.383%0.83434%0.339SS*.THydrogen-bonded Turntrans55.137.3-174.7-50.4-41.1000113.2
25W93.6Very high93.5Very high25 Ų2555.6 Ų55.610%0.09533%0.326CS..  trans-66.4135.1170.4-170.7-112.9000109.9L22 S23 Y27 C33 A35 M38 P51 T54 W66L22-W25 HydrophobicContact CB-CB 4.45Å; L22-W25 HydrophobicContact CD2-CD2 4.3Å; L22-W25 HydrophobicContact CD2-CE3 3.87Å; L22-W25 HydrophobicContact CD2-CZ3 4.22Å; L22-W25 WeakPolarHBondContact O-CB 3.45Å; L22-W25 PolarHBondContact O-N 2.95Å; S23-W25 PolarHBondContact O-N 3.1Å; W25-Y27 AromaticContact CE2-CD2 3.89Å; W25-Y27 HydrophobicContact CZ2-CD2 4.01Å; W25-Y27 HydrophobicContact CZ2-CE2 4.31Å; W25-Y27 AromaticContact NE1-CD2 3.57Å; W25-Y27 PolarHBondContact O-N 2.9Å; W25-C33 PolarHBondContact NE1-O 3.45Å; W25-A35 HydrophobicContact CB-CB 4.03Å; W25-A35 HydrophobicContact CG-CB 4.29Å; W25-M38 HydrophobicContact CH2-CE 4.31Å; W25-M38 HydrophobicContact CZ2-CE 4.06Å; W25-M38 HydrophobicContact CZ2-CG 4.37Å; W25-P51 WeakPolarHBondContact CZ3-O 3.45Å; W25-T54 HydrophobicContact CH2-CG2 3.57Å; W25-T54 HydrophobicContact CZ2-CG2 4.41Å; W25-T54 HydrophobicContact CZ3-CG2 3.68Å; W25-W66 HydrophobicContact CH2-CB 4.37Å; W25-W66 AromaticContact CH2-CD1 3.69Å; W25-W66 HydrophobicContact CH2-CG 4.06Å; W25-W66 HydrophobicContact CZ2-CB 4.08Å; W25-W66 AromaticContact CZ2-CG 3.98Å; W25-W66 HydrophobicContact CZ2-CG 3.98Å
26P92.2Very high93.5Very high78 Ų7857.3 Ų57.351%0.50634%0.336SS..SBendtrans-74.1-9.6-169.629-36.5000114.8
27Y93.8Very high93.6Very high56 Ų5657.8 Ų57.822%0.2233%0.329CS..  trans-113.6120.2-173.1-55.4-49.6000111.2W25 C33 W66 P68W25-Y27 AromaticContact CE2-CD2 3.89Å; W25-Y27 HydrophobicContact CZ2-CD2 4.01Å; W25-Y27 HydrophobicContact CZ2-CE2 4.31Å; W25-Y27 AromaticContact NE1-CD2 3.57Å; W25-Y27 PolarHBondContact O-N 2.9Å; Y27-C33 WeakPolarHBondContact CD2-SG 3.19Å; Y27-C33 VanDerWaalsContact CG-SG 3.59Å; Y27-W66 HydrophobicContact CE2-CB 3.81Å; Y27-W66 WeakPolarHBondContact CE2-O 3.39Å; Y27-W66 VanDerWaalsContact CZ-O 3.31Å; Y27-W66 PolarHBondContact OH-O 2.84Å; Y27-P68 HydrophobicContact CD1-CB 4Å; Y27-P68 HydrophobicContact CE1-CB 4.27Å; Y27-P68 HydrophobicContact CE1-CG 4.35Å
28D88.7Confident93.6Very high122 Ų12256.2 Ų56.265%0.65232%0.323SS*.  trans-118.9-164.5-175.566.910.9000112.4N30 S31 T34D28-N30 PolarHBondContact O-N 3.49Å; D28-S31 WeakPolarHBondContact O-CB 3.47Å; D28-S31 PolarHBondContact O-N 3.39Å; D28-S31 PolarHBondContact O-OG 2.94Å; D28-T34 WeakPolarHBondContact O-CG2 3.45Å
29G79.5Confident93.6Very high70 Ų7056.2 Ų56.272%0.72232%0.323SS*.THydrogen-bonded Turntrans-45.9-15.5-15600000120.1
30N89.1Confident93.6Very high167 Ų16759.7 Ų59.789%0.89334%0.336SS*.THydrogen-bonded Turntrans-101.3-9.6174.4-70.7-22000114.5D28D28-N30 PolarHBondContact O-N 3.49Å
31S95.2Very high93.6Very high13 Ų1356.5 Ų56.59%0.09131%0.313CS..  trans-81.7151.4-177.4-53.20000111.9D28 C33 T34 K37 P68D28-S31 WeakPolarHBondContact O-CB 3.47Å; D28-S31 PolarHBondContact O-N 3.39Å; D28-S31 PolarHBondContact O-OG 2.94Å; S31-C33 VanDerWaalsContact C-N 3.31Å; S31-T34 VanDerWaalsContact O-CG2 3.29Å; S31-T34 WeakPolarHBondContact O-CG2 3.26Å; S31-K37 PolarHBondContact O-NZ 2.81Å; S31-P68 CarbonylContact C-O 3.04Å; S31-P68 WeakPolarHBondContact CA-O 3.5Å; S31-P68 WeakPolarHBondContact CB-O 3.46Å; S31-P68 WeakPolarHBondContact OG-CB 3.38Å
32L96Very high93.7Very high82 Ų8255.7 Ų55.743%0.42931%0.308SS..THydrogen-bonded Turntrans-76.4-20.6171.1-66.8-173.9000112.6K37 P68 D70 P72L32-K37 WeakPolarHBondContact O-CD 3.19Å; L32-P68 PolarHBondContact N-O 3.38Å; L32-D70 CarbonylContact C-O 3.58Å; L32-D70 WeakPolarHBondContact CB-O 3.48Å; L32-P72 WeakPolarHBondContact O-CD 3.45Å
33C95.7Very high93.8Very high0 Ų055.4 Ų55.40%031%0.307CS..THydrogen-bonded Turntrans-111.543.6-179.861.30000113.3W25 Y27 S31 M38 W66 E67 D70 P72W25-C33 PolarHBondContact NE1-O 3.45Å; Y27-C33 WeakPolarHBondContact CD2-SG 3.19Å; Y27-C33 VanDerWaalsContact CG-SG 3.59Å; S31-C33 VanDerWaalsContact C-N 3.31Å; C33-M38 HydrophobicContact CB-SD 4.25Å; C33-W66 HydrophobicContact CB-CE3 4.16Å; C33-E67 PolarHBondContact SG-O 3.45Å; C33-D70 HydrophobicContact CB-CB 4.25Å; C33-D70 WeakPolarHBondContact CB-O 3.45Å; C33-D70 PolarHBondContact N-O 3.49Å; C33-P72 HydrophobicContact CB-CG 4.11Å
34T96.7Very high94Very high9 Ų952.2 Ų52.26%0.05529%0.285CS..  trans-60.2160.1173.378.50000111.8D28 S31 E36 K37 M38D28-T34 WeakPolarHBondContact O-CG2 3.45Å; S31-T34 VanDerWaalsContact O-CG2 3.29Å; S31-T34 WeakPolarHBondContact O-CG2 3.26Å; T34-E36 VanDerWaalsContact CB-OE2 3.28Å; T34-E36 WeakPolarHBondContact CB-OE2 3.47Å; T34-E36 PolarHBondContact O-N 3.22Å; T34-E36 PolarHBondContact OG1-OE2 3.14Å; T34-K37 PolarHBondContact O-N 3.12Å; T34-K37 VanDerWaalsContact O-N 3.08Å; T34-K37 PolarHBondContact OG1-N 3.3Å; T34-M38 WeakPolarHBondContact O-CB 3.27Å; T34-M38 VanDerWaalsContact O-CG 3.26Å; T34-M38 WeakPolarHBondContact O-CG 3.3Å; T34-M38 PolarHBondContact O-N 3.16Å
35A96.6Very high94.2Very high14 Ų1445.5 Ų45.512%0.11625%0.247CC..Hα-helixtrans-55.3-38179.300000112.7L19 L22 W25 A39L19-A35 HydrophobicContact CD1-CB 3.83Å; L22-A35 HydrophobicContact CB-CB 3.96Å; L22-A35 HydrophobicContact CD1-CB 4.41Å; L22-A35 WeakPolarHBondContact CD1-O 3.41Å; W25-A35 HydrophobicContact CB-CB 4.03Å; W25-A35 HydrophobicContact CG-CB 4.29Å; A35-A39 WeakPolarHBondContact O-CB 3.35Å; A35-A39 PolarHBondContact O-N 3.39Å
36E95.9Very high94.2Very high98 Ų9845.8 Ų45.846%0.45825%0.253SS..Hα-helixtrans-65-45.8176.7-58.778.6-172.100111.5L19 T34 A39 K40L19-E36 HydrophobicContact CD1-CG 4.3Å; T34-E36 VanDerWaalsContact CB-OE2 3.28Å; T34-E36 WeakPolarHBondContact CB-OE2 3.47Å; T34-E36 PolarHBondContact O-N 3.22Å; T34-E36 PolarHBondContact OG1-OE2 3.14Å; E36-A39 PolarHBondContact O-N 2.87Å; E36-K40 WeakPolarHBondContact O-CB 3.48Å; E36-K40 PolarHBondContact O-N 3.19Å
37K96.1Very high94Very high84 Ų8446 Ų4637%0.36525%0.25SC..Hα-helixtrans-65.5-43.1178.8-68177.2-175.41710110.7S31 L32 T34 K40 S41 P72S31-K37 PolarHBondContact O-NZ 2.81Å; L32-K37 WeakPolarHBondContact O-CD 3.19Å; T34-K37 PolarHBondContact O-N 3.12Å; T34-K37 VanDerWaalsContact O-N 3.08Å; T34-K37 PolarHBondContact OG1-N 3.3Å; K37-K40 PolarHBondContact O-N 3.02Å; K37-S41 WeakPolarHBondContact O-CB 3.45Å; K37-S41 PolarHBondContact O-N 3.39Å; K37-S41 PolarHBondContact O-OG 3.41Å; K37-S41 VanDerWaalsContact O-OG 3.09Å; K37-P72 HydrophobicContact CB-CG 4.31Å
38M96.9Very high93.6Very high0 Ų046 Ų460%026%0.256CS..Hα-helixtrans-55.7-53.2173.1-69.9-64.6-7300111.8L22 W25 C33 T34 K40 S41 G42 F43 T54 W66 P72L22-M38 HydrophobicContact CD1-CB 3.68Å; W25-M38 HydrophobicContact CH2-CE 4.31Å; W25-M38 HydrophobicContact CZ2-CE 4.06Å; W25-M38 HydrophobicContact CZ2-CG 4.37Å; C33-M38 HydrophobicContact CB-SD 4.25Å; T34-M38 WeakPolarHBondContact O-CB 3.27Å; T34-M38 VanDerWaalsContact O-CG 3.26Å; T34-M38 WeakPolarHBondContact O-CG 3.3Å; T34-M38 PolarHBondContact O-N 3.16Å; M38-K40 VanDerWaalsContact C-N 3.32Å; M38-K40 PolarHBondContact O-N 3.35Å; M38-S41 PolarHBondContact O-N 3.13Å; M38-G42 PolarHBondContact O-N 3.29Å; M38-F43 HydrophobicContact CB-CB 4.37Å; M38-F43 HydrophobicContact CE-CB 3.93Å; M38-F43 HydrophobicContact CE-CD2 4.24Å; M38-F43 HydrophobicContact CE-CG 4.08Å; M38-F43 WeakPolarHBondContact O-CB 3.4Å; M38-F43 PolarHBondContact O-N 2.92Å; M38-F43 HydrophobicContact SD-CD2 4.46Å; M38-T54 HydrophobicContact CE-CG2 3.42Å; M38-T54 VanDerWaalsContact CE-CG2 3.42Å; M38-T54 VanDerWaalsContact CE-OG1 3.25Å; M38-T54 WeakPolarHBondContact CE-OG1 2.8Å; M38-W66 HydrophobicContact CE-CD2 3.76Å; M38-W66 HydrophobicContact CE-CE3 4.16Å; M38-W66 HydrophobicContact CE-CG 4.42Å; M38-W66 HydrophobicContact CE-CH2 3.76Å; M38-W66 HydrophobicContact CE-CZ2 3.31Å; M38-W66 HydrophobicContact CE-CZ3 4.16Å; M38-W66 HydrophobicContact SD-CD2 4.05Å; M38-W66 HydrophobicContact SD-CE3 3.85Å; M38-W66 HydrophobicContact SD-CH2 3.72Å; M38-W66 HydrophobicContact SD-CZ2 3.93Å; M38-W66 HydrophobicContact SD-CZ3 3.68Å; M38-P72 HydrophobicContact CG-CG 4.14Å; M38-P72 HydrophobicContact SD-CB 3.69Å; M38-P72 HydrophobicContact SD-CG 3.39Å; M38-P72 WeakPolarHBondContact SD-CG 3.48Å
39A96.3Very high93.5Very high0 Ų044.7 Ų44.70%026%0.257CS..Hα-helixtrans-63.1-37.3-18000000112.9Y15 R18 L19 L22 A35 E36 G42 F43Y15-A39 HydrophobicContact CD2-CB 3.96Å; Y15-A39 HydrophobicContact CE2-CB 3.73Å; R18-A39 HydrophobicContact CB-CB 4.18Å; R18-A39 PolarHBondContact NE-O 3.34Å; R18-A39 PolarHBondContact NH2-O 3.46Å; L19-A39 HydrophobicContact CB-CB 3.92Å; L19-A39 HydrophobicContact CD1-CB 4.26Å; L22-A39 HydrophobicContact CD1-CB 4.24Å; A35-A39 WeakPolarHBondContact O-CB 3.35Å; A35-A39 PolarHBondContact O-N 3.39Å; E36-A39 PolarHBondContact O-N 2.87Å; A39-G42 PolarHBondContact O-N 2.91Å; A39-G42 VanDerWaalsContact O-N 3.17Å; A39-F43 WeakPolarHBondContact CA-O 3.39Å
40K95.4Very high93.8Very high119 Ų11943.6 Ų43.652%0.51723%0.234SC..Hα-helixtrans-67.3-34.6175.9-172175.5-179.2-178.50112.4Y15 E36 K37 M38 G42 Q90Y15-K40 HydrophobicContact CE2-CB 4.18Å; E36-K40 WeakPolarHBondContact O-CB 3.48Å; E36-K40 PolarHBondContact O-N 3.19Å; K37-K40 PolarHBondContact O-N 3.02Å; M38-K40 VanDerWaalsContact C-N 3.32Å; M38-K40 PolarHBondContact O-N 3.35Å; K40-G42 PolarHBondContact O-N 2.82Å; K40-Q90 PolarHBondContact O-NE2 2.92Å; K40-Q90 PolarHBondContact O-OE1 2.97Å; K40-Q90 VanDerWaalsContact O-OE1 3.13Å
41S95.9Very high93.6Very high3 Ų338.9 Ų38.92%0.02121%0.213CC..THydrogen-bonded Turntrans-79.26.8173.1-60.30000113.8K37 M38 P72 D73 H76K37-S41 WeakPolarHBondContact O-CB 3.45Å; K37-S41 PolarHBondContact O-N 3.39Å; K37-S41 PolarHBondContact O-OG 3.41Å; K37-S41 VanDerWaalsContact O-OG 3.09Å; M38-S41 PolarHBondContact O-N 3.13Å; S41-P72 WeakPolarHBondContact OG-CB 3.33Å; S41-D73 WeakPolarHBondContact CB-OD1 3.43Å; S41-D73 PolarHBondContact OG-N 2.95Å; S41-D73 PolarHBondContact OG-OD1 3.38Å; S41-H76 PolarHBondContact O-ND1 3.21Å
42G96.4Very high93.2Very high0 Ų041.2 Ų41.20%023%0.227CC..THydrogen-bonded Turntrans89.37.7175.500000114.4M38 A39 K40 C56 F57M38-G42 PolarHBondContact O-N 3.29Å; A39-G42 PolarHBondContact O-N 2.91Å; A39-G42 VanDerWaalsContact O-N 3.17Å; K40-G42 PolarHBondContact O-N 2.82Å; G42-C56 WeakPolarHBondContact O-CA 3.43Å; G42-F57 WeakPolarHBondContact O-CD1 3.29Å; G42-F57 PolarHBondContact O-N 3.25Å
43F97Very high93.1Very high0 Ų037.7 Ų37.70%021%0.209CC..EExtended strand (participates in β ladder)trans-85.4146.9179.7-68.7-75.7000112.8M38 A39 Q55 C56 L63 W66 P72 H76M38-F43 HydrophobicContact CB-CB 4.37Å; M38-F43 HydrophobicContact CE-CB 3.93Å; M38-F43 HydrophobicContact CE-CD2 4.24Å; M38-F43 HydrophobicContact CE-CG 4.08Å; M38-F43 WeakPolarHBondContact O-CB 3.4Å; M38-F43 PolarHBondContact O-N 2.92Å; M38-F43 HydrophobicContact SD-CD2 4.46Å; A39-F43 WeakPolarHBondContact CA-O 3.39Å; F43-Q55 CarbonylContact C-O 3.54Å; F43-Q55 WeakPolarHBondContact CA-O 3.3Å; F43-C56 HydrophobicContact CD1-CB 4.46Å; F43-C56 HydrophobicContact CE1-CB 4.21Å; F43-L63 HydrophobicContact CE1-CD1 3.96Å; F43-L63 HydrophobicContact CE1-CG 4.27Å; F43-L63 HydrophobicContact CZ-CD1 3.67Å; F43-L63 HydrophobicContact CZ-CG 4.46Å; F43-W66 HydrophobicContact CD2-CH2 4.31Å; F43-W66 HydrophobicContact CD2-CZ2 4.44Å; F43-W66 HydrophobicContact CE1-CZ2 4.33Å; F43-W66 AromaticContact CE2-CH2 3.92Å; F43-W66 HydrophobicContact CE2-CH2 3.92Å; F43-W66 HydrophobicContact CE2-CZ2 4.23Å; F43-W66 HydrophobicContact CZ-CH2 4.17Å; F43-W66 HydrophobicContact CZ-CZ2 4.19Å; F43-P72 HydrophobicContact CD2-CB 4.21Å; F43-P72 HydrophobicContact CE2-CB 4.24Å; F43-H76 HydrophobicContact CE2-CB 3.78Å; F43-H76 HydrophobicContact CZ-CB 3.74Å; F43-H76 AromaticContact CZ-CG 3.87Å
44Y96.4Very high93.2Very high1 Ų137.7 Ų37.70%0.00421%0.209CC..EExtended strand (participates in β ladder)trans-141.8165.2170.176.2-82.5000108.9I7 R9 L12 T21 P46 T54 Q55 F57I7-Y44 HydrophobicContact CD1-CD2 4.29Å; I7-Y44 HydrophobicContact CD1-CE2 4.45Å; I7-Y44 HydrophobicContact CG1-CE2 4.24Å; I7-Y44 HydrophobicContact CG2-CD2 4.39Å; I7-Y44 HydrophobicContact CG2-CE2 3.86Å; R9-Y44 PolarHBondContact NH1-OH 3.48Å; L12-Y44 HydrophobicContact CD1-CD1 4.38Å; L12-Y44 HydrophobicContact CD1-CE1 3.8Å; L12-Y44 HydrophobicContact CD1-CE2 3.98Å; L12-Y44 HydrophobicContact CD2-CD1 3.8Å; L12-Y44 HydrophobicContact CD2-CD2 3.5Å; L12-Y44 HydrophobicContact CD2-CE1 4.05Å; L12-Y44 HydrophobicContact CD2-CE2 3.73Å; L12-Y44 HydrophobicContact CD2-CG 3.53Å; T21-Y44 HydrophobicContact CG2-CD2 4.47Å; T21-Y44 WeakPolarHBondContact OG1-CA 3.37Å; T21-Y44 WeakPolarHBondContact OG1-CB 3.48Å; Y44-P46 HydrophobicContact CE2-CB 3.95Å; Y44-P46 VanDerWaalsContact O-CD 3.31Å; Y44-P46 WeakPolarHBondContact O-CD 3.22Å; Y44-T54 CarbonylContact O-C 3.52Å; Y44-T54 VanDerWaalsContact O-CA 3.25Å; Y44-T54 WeakPolarHBondContact O-CA 3.25Å; Y44-Q55 HydrophobicContact CD1-CB 4.38Å; Y44-Q55 WeakPolarHBondContact CD1-O 3.35Å; Y44-Q55 HydrophobicContact CE1-CB 3.89Å; Y44-Q55 HydrophobicContact CE1-CG 3.89Å; Y44-Q55 WeakPolarHBondContact CE1-O 3.3Å; Y44-Q55 PolarHBondContact N-O 3.48Å; Y44-Q55 PolarHBondContact O-N 3.47Å; Y44-Q55 PolarHBondContact OH-OE1 2.94Å; Y44-F57 HydrophobicContact CD1-CB 4.13Å; Y44-F57 HydrophobicContact CE1-CB 4.21Å
45R95.1Very high93.1Very high14 Ų1437.3 Ų37.35%0.05321%0.206CC..  trans-85.9111.9173.5-171.6-178.2-72.9152.9-6.1109.6I7 T21 L22 S23 N47 P51I7-R45 WeakPolarHBondContact CD1-O 3.24Å; T21-R45 VanDerWaalsContact O-CB 3.28Å; T21-R45 WeakPolarHBondContact O-CB 3.33Å; T21-R45 PolarHBondContact OG1-N 2.89Å; L22-R45 HydrophobicContact CD2-CB 4.28Å; S23-R45 PolarHBondContact O-NH1 3.22Å; S23-R45 PolarHBondContact O-NH2 2.9Å; R45-N47 WeakPolarHBondContact CG-O 3.48Å; R45-P51 PolarHBondContact NE-O 3.39Å; R45-P51 PolarHBondContact NH2-O 3.24Å
46P92.8Very high93.1Very high32 Ų3236.7 Ų36.721%0.20820%0.201CC..SBendtrans-74.5-29.8-176.930.5-35.7000113.5Y44 T53 Q55Y44-P46 HydrophobicContact CE2-CB 3.95Å; Y44-P46 VanDerWaalsContact O-CD 3.31Å; Y44-P46 WeakPolarHBondContact O-CD 3.22Å; P46-T53 WeakPolarHBondContact CD-O 3.47Å; P46-T53 HydrophobicContact CG-CG2 4.16Å; P46-Q55 HydrophobicContact CB-CB 4.14Å; P46-Q55 HydrophobicContact CG-CB 3.93Å
47N89.4Confident93.1Very high83 Ų8332 Ų3244%0.44418%0.179SC..  trans-129.5113.8178-176.2-8.8000109.5R45 S49 N50R45-N47 WeakPolarHBondContact CG-O 3.48Å; N47-S49 PolarHBondContact O-N 3.45Å; N47-S49 VanDerWaalsContact O-N 3.14Å; N47-S49 WeakPolarHBondContact OD1-CB 3.33Å; N47-S49 PolarHBondContact OD1-N 2.96Å; N47-N50 HydrophobicContact CB-CB 4.39Å; N47-N50 PolarHBondContact O-N 2.89Å
48P84.5Confident93.1Very high54 Ų5428 Ų2835%0.35116%0.162SC..THydrogen-bonded Turntrans-56.6-26.3177.2-28.338.3000114.4S4 N50S4-P48 VanDerWaalsContact CB-CB 3.42Å; P48-N50 VanDerWaalsContact C-N 3.28Å; P48-N50 PolarHBondContact O-N 3.41Å
49S86.2Confident93Very high95 Ų9529 Ų2966%0.66417%0.168SC*.THydrogen-bonded Turntrans-76.4-12.5176.7-53.20000113.8N47 P51N47-S49 PolarHBondContact O-N 3.45Å; N47-S49 VanDerWaalsContact O-N 3.14Å; N47-S49 WeakPolarHBondContact OD1-CB 3.33Å; N47-S49 PolarHBondContact OD1-N 2.96Å; S49-P51 WeakPolarHBondContact O-CD 3.45Å
50N86.7Confident92.9Very high47 Ų4729.1 Ų29.125%0.25117%0.169SC..  trans-112.993.5175.8-172-23.3000109.2N47 P48 T52 T53N47-N50 HydrophobicContact CB-CB 4.39Å; N47-N50 PolarHBondContact O-N 2.89Å; P48-N50 VanDerWaalsContact C-N 3.28Å; P48-N50 PolarHBondContact O-N 3.41Å; N50-T52 VanDerWaalsContact C-N 3.26Å; N50-T52 PolarHBondContact O-N 2.89Å; N50-T52 PolarHBondContact OD1-OG1 3.13Å; N50-T53 PolarHBondContact ND2-OG1 2.88Å; N50-T53 PolarHBondContact OD1-N 2.91Å; N50-T53 PolarHBondContact OD1-OG1 3.4Å; N50-T53 VanDerWaalsContact OD1-OG1 3.05Å
51P84.8Confident92.8Very high69 Ų6924.6 Ų24.645%0.44815%0.149SC..THydrogen-bonded Turntrans-68.9-21.8-166.125.4-33.5000114W25 R45 S49W25-P51 WeakPolarHBondContact CZ3-O 3.45Å; R45-P51 PolarHBondContact NE-O 3.39Å; R45-P51 PolarHBondContact NH2-O 3.24Å; S49-P51 WeakPolarHBondContact O-CD 3.45Å
52T87.5Confident92.8Very high61 Ų6126 Ų2637%0.37416%0.156SC..THydrogen-bonded Turntrans-104.2-15.9-172.659.10000113.9N50N50-T52 VanDerWaalsContact C-N 3.26Å; N50-T52 PolarHBondContact O-N 2.89Å; N50-T52 PolarHBondContact OD1-OG1 3.13Å
53T93.7Very high92.8Very high8 Ų826.2 Ų26.25%0.04916%0.156CC..  trans-80.7133179-63.80000110.6P46 N50P46-T53 WeakPolarHBondContact CD-O 3.47Å; P46-T53 HydrophobicContact CG-CG2 4.16Å; N50-T53 PolarHBondContact ND2-OG1 2.88Å; N50-T53 PolarHBondContact OD1-N 2.91Å; N50-T53 PolarHBondContact OD1-OG1 3.4Å; N50-T53 VanDerWaalsContact OD1-OG1 3.05Å
54T96.2Very high92.6Very high0 Ų028.2 Ų28.20%017%0.166CC..EExtended strand (participates in β ladder)trans-128.2152.8174.865.60000110.5L22 W25 M38 Y44 E62 L63 W66L22-T54 HydrophobicContact CD2-CG2 3.92Å; W25-T54 HydrophobicContact CH2-CG2 3.57Å; W25-T54 HydrophobicContact CZ2-CG2 4.41Å; W25-T54 HydrophobicContact CZ3-CG2 3.68Å; M38-T54 HydrophobicContact CE-CG2 3.42Å; M38-T54 VanDerWaalsContact CE-CG2 3.42Å; M38-T54 VanDerWaalsContact CE-OG1 3.25Å; M38-T54 WeakPolarHBondContact CE-OG1 2.8Å; Y44-T54 CarbonylContact O-C 3.52Å; Y44-T54 VanDerWaalsContact O-CA 3.25Å; Y44-T54 WeakPolarHBondContact O-CA 3.25Å; T54-E62 CarbonylContact O-C 3.52Å; T54-E62 WeakPolarHBondContact O-CA 3.46Å; T54-L63 PolarHBondContact N-O 3.24Å; T54-L63 PolarHBondContact O-N 3.4Å; T54-W66 WeakPolarHBondContact OG1-CZ2 3.5Å; T54-W66 PolarHBondContact OG1-NE1 2.96Å
55Q95.9Very high92.4Very high2 Ų230.3 Ų30.31%0.00919%0.187CC..EExtended strand (participates in β ladder)trans-132136.3-178176.5162.769.700110.1F43 Y44 P46 M60 K61 E62 K113F43-Q55 CarbonylContact C-O 3.54Å; F43-Q55 WeakPolarHBondContact CA-O 3.3Å; Y44-Q55 HydrophobicContact CD1-CB 4.38Å; Y44-Q55 WeakPolarHBondContact CD1-O 3.35Å; Y44-Q55 HydrophobicContact CE1-CB 3.89Å; Y44-Q55 HydrophobicContact CE1-CG 3.89Å; Y44-Q55 WeakPolarHBondContact CE1-O 3.3Å; Y44-Q55 PolarHBondContact N-O 3.48Å; Y44-Q55 PolarHBondContact O-N 3.47Å; Y44-Q55 PolarHBondContact OH-OE1 2.94Å; P46-Q55 HydrophobicContact CB-CB 4.14Å; P46-Q55 HydrophobicContact CG-CB 3.93Å; Q55-M60 PolarHBondContact NE2-O 2.92Å; Q55-M60 VanDerWaalsContact OE1-CE 3.3Å; Q55-K61 CarbonylContact C-O 3.53Å; Q55-K61 VanDerWaalsContact CA-O 3.3Å; Q55-K61 WeakPolarHBondContact CA-O 3.49Å; Q55-E62 HydrophobicContact CB-CG 3.86Å; Q55-E62 HydrophobicContact CG-CG 4.02Å; Q55-E62 VanDerWaalsContact NE2-CG 3.27Å; Q55-E62 PolarHBondContact NE2-OE1 2.85Å; Q55-K113 VanDerWaalsContact NE2-NZ 3.13Å
56C96.7Very high92.4Very high0 Ų030.2 Ų30.20%019%0.187CC..EExtended strand (participates in β ladder)trans-67.9130.9168.4172.70000109.9G42 F43 V58 C59 M60 K61 H76G42-C56 WeakPolarHBondContact O-CA 3.43Å; F43-C56 HydrophobicContact CD1-CB 4.46Å; F43-C56 HydrophobicContact CE1-CB 4.21Å; C56-V58 VanDerWaalsContact C-N 3.28Å; C56-V58 PolarHBondContact O-N 2.81Å; C56-V58 PolarHBondContact SG-N 3.32Å; C56-V58 VanDerWaalsContact SG-N 3.37Å; C56-C59 VanDerWaalsContact CB-SG 3.59Å; C56-C59 PolarHBondContact SG-N 3.47Å; C56-C59 VanDerWaalsContact SG-SG 3.63Å; C56-M60 VanDerWaalsContact O-CA 3.25Å; C56-M60 WeakPolarHBondContact O-CA 3.02Å; C56-M60 PolarHBondContact O-N 2.91Å; C56-M60 VanDerWaalsContact O-N 3.08Å; C56-K61 PolarHBondContact N-O 3.46Å; C56-H76 PolarHBondContact SG-CE1 3.17Å; C56-H76 PolarHBondContact SG-NE2 3.3Å; C56-H76 VanDerWaalsContact SG-NE2 3.41Å
57F96Very high92.5Very high1 Ų132.9 Ų32.90%0.00420%0.197CC..THydrogen-bonded Turntrans-65.8-25.1-179.781.4-78000114.7L12 G42 Y44 F85 R106L12-F57 HydrophobicContact CB-CB 3.94Å; G42-F57 WeakPolarHBondContact O-CD1 3.29Å; G42-F57 PolarHBondContact O-N 3.25Å; Y44-F57 HydrophobicContact CD1-CB 4.13Å; Y44-F57 HydrophobicContact CE1-CB 4.21Å; F57-F85 HydrophobicContact CE1-CD1 4.28Å; F57-F85 AromaticContact CE1-CD2 3.64Å; F57-F85 HydrophobicContact CE1-CD2 3.64Å; F57-F85 HydrophobicContact CE1-CE1 4.31Å; F57-F85 AromaticContact CE1-CE2 3.67Å; F57-F85 HydrophobicContact CE1-CE2 3.67Å; F57-F85 AromaticContact CE1-CG 3.96Å; F57-F85 HydrophobicContact CE1-CG 3.96Å; F57-F85 HydrophobicContact CE1-CZ 4.02Å; F57-F85 AromaticContact CZ-CD2 3.69Å; F57-F85 HydrophobicContact CZ-CD2 3.69Å; F57-F85 AromaticContact CZ-CE2 3.81Å; F57-F85 HydrophobicContact CZ-CE2 3.81Å; F57-F85 HydrophobicContact CZ-CG 4.37Å; F57-R106 WeakPolarHBondContact O-CD 3.43Å; F57-R106 WeakPolarHBondContact O-CG 3.43Å
58V95.3Very high92.7Very high0 Ų032 Ų320%020%0.195CC..THydrogen-bonded Turntrans-95-60.8-177.6-179.50000111.5C56 M60 P84 F85 M102C56-V58 VanDerWaalsContact C-N 3.28Å; C56-V58 PolarHBondContact O-N 2.81Å; C56-V58 PolarHBondContact SG-N 3.32Å; C56-V58 VanDerWaalsContact SG-N 3.37Å; V58-M60 VanDerWaalsContact C-N 3.31Å; V58-M60 PolarHBondContact O-N 2.79Å; V58-P84 HydrophobicContact CG1-CB 4.27Å; V58-P84 HydrophobicContact CG1-CG 4.15Å; V58-F85 HydrophobicContact CB-CB 4.21Å; V58-F85 HydrophobicContact CG2-CB 3.93Å; V58-F85 HydrophobicContact CG2-CD2 4.45Å; V58-F85 HydrophobicContact CG2-CG 4.41Å; V58-M102 HydrophobicContact CB-SD 4.43Å; V58-M102 HydrophobicContact CG1-SD 3.8Å; V58-M102 HydrophobicContact CG2-CG 4.09Å; V58-M102 HydrophobicContact CG2-SD 3.76Å
59C94.6Very high93.3Very high19 Ų1932.1 Ų32.113%0.12819%0.193CC..THydrogen-bonded Turntrans-86.1-2-174.673.80000114C56 K61 H76 S80 C83C56-C59 VanDerWaalsContact CB-SG 3.59Å; C56-C59 PolarHBondContact SG-N 3.47Å; C56-C59 VanDerWaalsContact SG-SG 3.63Å; C59-K61 PolarHBondContact O-N 2.68Å; C59-K61 VanDerWaalsContact SG-CB 3.51Å; C59-H76 PolarHBondContact SG-NE2 3.16Å; C59-H76 VanDerWaalsContact SG-NE2 3.4Å; C59-S80 PolarHBondContact SG-OG 3.04Å; C59-C83 HydrophobicContact CB-CB 3.78Å; C59-C83 VanDerWaalsContact CB-SG 3.53Å; C59-C83 VanDerWaalsContact SG-SG 3.65Å
60M93.8Very high93.7Very high4 Ų427.6 Ų27.62%0.0216%0.162CC..  trans61.110.3179.2-57.2-63.4-67.100115.1Q55 C56 V58 E62 T109 Y110 K113 T166Q55-M60 PolarHBondContact NE2-O 2.92Å; Q55-M60 VanDerWaalsContact OE1-CE 3.3Å; C56-M60 VanDerWaalsContact O-CA 3.25Å; C56-M60 WeakPolarHBondContact O-CA 3.02Å; C56-M60 PolarHBondContact O-N 2.91Å; C56-M60 VanDerWaalsContact O-N 3.08Å; V58-M60 VanDerWaalsContact C-N 3.31Å; V58-M60 PolarHBondContact O-N 2.79Å; M60-E62 PolarHBondContact O-N 3.33Å; M60-E62 VanDerWaalsContact O-N 3.17Å; M60-T109 HydrophobicContact CB-CG2 4.33Å; M60-T109 HydrophobicContact CG-CG2 3.85Å; M60-Y110 HydrophobicContact CE-CD2 3.97Å; M60-K113 HydrophobicContact CB-CD 4.28Å; M60-K113 HydrophobicContact CE-CD 4.07Å; M60-T166 HydrophobicContact CB-CG2 4.37Å; M60-T166 WeakPolarHBondContact O-CB 3.16Å
61K94.9Very high94.1Very high24 Ų2427.4 Ų27.410%0.10416%0.16CC..  trans-62115.8175-179.263.963.5173.30109.7Q55 C56 C59 L63 H79 S165 T166Q55-K61 CarbonylContact C-O 3.53Å; Q55-K61 VanDerWaalsContact CA-O 3.3Å; Q55-K61 WeakPolarHBondContact CA-O 3.49Å; C56-K61 PolarHBondContact N-O 3.46Å; C59-K61 PolarHBondContact O-N 2.68Å; C59-K61 VanDerWaalsContact SG-CB 3.51Å; K61-L63 HydrophobicContact CD-CD2 4.23Å; K61-L63 HydrophobicContact CG-CD2 4.08Å; K61-L63 HydrophobicContact CG-CG 4.26Å; K61-H79 HydrophobicContact CD-CB 4Å; K61-H79 WeakPolarHBondContact CE-O 3.44Å; K61-H79 HydrophobicContact CG-CB 4.09Å; K61-H79 PolarHBondContact NZ-O 3.38Å; K61-S165 PolarHBondContact NZ-O 3.29Å; K61-T166 CarbonylContact C-O 3.46Å; K61-T166 WeakPolarHBondContact CA-O 3.49Å; K61-T166 WeakPolarHBondContact CD-O 3.34Å
62E95Very high94.7Very high33 Ų3324.2 Ų24.215%0.15414%0.14CC..EExtended strand (participates in β ladder)trans-90.2129172-79.1162.3-158.400110.1T54 Q55 M60 K113 T166 R167 S168T54-E62 CarbonylContact O-C 3.52Å; T54-E62 WeakPolarHBondContact O-CA 3.46Å; Q55-E62 HydrophobicContact CB-CG 3.86Å; Q55-E62 HydrophobicContact CG-CG 4.02Å; Q55-E62 VanDerWaalsContact NE2-CG 3.27Å; Q55-E62 PolarHBondContact NE2-OE1 2.85Å; M60-E62 PolarHBondContact O-N 3.33Å; M60-E62 VanDerWaalsContact O-N 3.17Å; E62-K113 IonicContact OE1-NZ 3.39Å; E62-K113 PolarHBondContact OE1-NZ 3.08Å; E62-T166 WeakPolarHBondContact CA-O 3.35Å; E62-T166 PolarHBondContact N-O 3.14Å; E62-R167 HydrophobicContact CB-CB 4.38Å; E62-R167 HydrophobicContact CB-CG 4.35Å; E62-S168 PolarHBondContact O-N 2.75Å
63L95.5Very high95.1Very high3 Ų325 Ų252%0.01614%0.142CC..EExtended strand (participates in β ladder)trans-125.6140.8175.2-60.3-179.3000109.9F43 T54 K61 W66 E75 H79 S168F43-L63 HydrophobicContact CE1-CD1 3.96Å; F43-L63 HydrophobicContact CE1-CG 4.27Å; F43-L63 HydrophobicContact CZ-CD1 3.67Å; F43-L63 HydrophobicContact CZ-CG 4.46Å; T54-L63 PolarHBondContact N-O 3.24Å; T54-L63 PolarHBondContact O-N 3.4Å; K61-L63 HydrophobicContact CD-CD2 4.23Å; K61-L63 HydrophobicContact CG-CD2 4.08Å; K61-L63 HydrophobicContact CG-CG 4.26Å; L63-W66 HydrophobicContact CB-CZ2 3.69Å; L63-W66 HydrophobicContact CD1-CH2 3.95Å; L63-W66 HydrophobicContact CD1-CZ2 3.73Å; L63-W66 HydrophobicContact CG-CZ2 4.33Å; L63-W66 PolarHBondContact O-NE1 3.18Å; L63-E75 HydrophobicContact CD1-CB 4.08Å; L63-H79 HydrophobicContact CD2-CB 3.85Å; L63-S168 WeakPolarHBondContact CA-O 3.46Å
64E93.7Very high95.2Very high43 Ų4331 Ų3120%0.20117%0.167CC..EExtended strand (participates in β ladder)trans-138.2163174.670.5-168.3145.500110.4R167 S168 T169 R170E64-R167 IonicContact OE1-CZ 2.91Å; E64-R167 IonicContact OE1-NE 2.76Å; E64-R167 PolarHBondContact OE1-NE 2.79Å; E64-R167 IonicContact OE1-NH2 3.66Å; E64-R167 PolarHBondContact OE1-NH2 3.36Å; E64-R167 IonicContact OE2-CZ 2.73Å; E64-R167 IonicContact OE2-NE 2.81Å; E64-R167 IonicContact OE2-NH2 3.03Å; E64-R167 PolarHBondContact OE2-NH2 2.78Å; E64-S168 PolarHBondContact N-O 3.29Å; E64-T169 HydrophobicContact CG-CG2 3.99Å; E64-R170 PolarHBondContact O-N 2.56Å; E64-R170 VanDerWaalsContact O-N 3.17Å
65G92.9Very high95.2Very high44 Ų4431.9 Ų31.945%0.45417%0.171SC..  trans77.338.4-176.800000113.6
66W94.6Very high95.2Very high13 Ų1331.8 Ų31.85%0.04917%0.171CC..  trans-63.3141.2172.2-65.491.3000110.8W25 Y27 C33 M38 F43 T54 L63 D70 P72 E75W25-W66 HydrophobicContact CH2-CB 4.37Å; W25-W66 AromaticContact CH2-CD1 3.69Å; W25-W66 HydrophobicContact CH2-CG 4.06Å; W25-W66 HydrophobicContact CZ2-CB 4.08Å; W25-W66 AromaticContact CZ2-CG 3.98Å; W25-W66 HydrophobicContact CZ2-CG 3.98Å; Y27-W66 HydrophobicContact CE2-CB 3.81Å; Y27-W66 WeakPolarHBondContact CE2-O 3.39Å; Y27-W66 VanDerWaalsContact CZ-O 3.31Å; Y27-W66 PolarHBondContact OH-O 2.84Å; C33-W66 HydrophobicContact CB-CE3 4.16Å; M38-W66 HydrophobicContact CE-CD2 3.76Å; M38-W66 HydrophobicContact CE-CE3 4.16Å; M38-W66 HydrophobicContact CE-CG 4.42Å; M38-W66 HydrophobicContact CE-CH2 3.76Å; M38-W66 HydrophobicContact CE-CZ2 3.31Å; M38-W66 HydrophobicContact CE-CZ3 4.16Å; M38-W66 HydrophobicContact SD-CD2 4.05Å; M38-W66 HydrophobicContact SD-CE3 3.85Å; M38-W66 HydrophobicContact SD-CH2 3.72Å; M38-W66 HydrophobicContact SD-CZ2 3.93Å; M38-W66 HydrophobicContact SD-CZ3 3.68Å; F43-W66 HydrophobicContact CD2-CH2 4.31Å; F43-W66 HydrophobicContact CD2-CZ2 4.44Å; F43-W66 HydrophobicContact CE1-CZ2 4.33Å; F43-W66 AromaticContact CE2-CH2 3.92Å; F43-W66 HydrophobicContact CE2-CH2 3.92Å; F43-W66 HydrophobicContact CE2-CZ2 4.23Å; F43-W66 HydrophobicContact CZ-CH2 4.17Å; F43-W66 HydrophobicContact CZ-CZ2 4.19Å; T54-W66 WeakPolarHBondContact OG1-CZ2 3.5Å; T54-W66 PolarHBondContact OG1-NE1 2.96Å; L63-W66 HydrophobicContact CB-CZ2 3.69Å; L63-W66 HydrophobicContact CD1-CH2 3.95Å; L63-W66 HydrophobicContact CD1-CZ2 3.73Å; L63-W66 HydrophobicContact CG-CZ2 4.33Å; L63-W66 PolarHBondContact O-NE1 3.18Å; W66-D70 WeakPolarHBondContact CA-OD2 3.45Å; W66-D70 HydrophobicContact CE3-CB 3.76Å; W66-D70 HydrophobicContact CZ3-CB 4.08Å; W66-P72 HydrophobicContact CH2-CB 4.16Å; W66-P72 HydrophobicContact CZ3-CB 4.12Å; W66-P72 HydrophobicContact CZ3-CG 4.16Å; W66-E75 HydrophobicContact CH2-CB 3.94Å; W66-E75 HydrophobicContact CH2-CG 4.39Å; W66-E75 HydrophobicContact CZ3-CB 4.02Å; W66-E75 HydrophobicContact CZ3-CG 3.98Å
67E94.6Very high95.2Very high88 Ų8838.7 Ų38.741%0.41120%0.201SC..  trans-121.4157.8171.8-52.4-180179.300109.5C33 D69 D70 R170C33-E67 PolarHBondContact SG-O 3.45Å; E67-D69 PolarHBondContact O-N 2.95Å; E67-D70 PolarHBondContact N-OD2 3.06Å; E67-D70 WeakPolarHBondContact O-CB 3.3Å; E67-D70 PolarHBondContact O-N 3.46Å; E67-R170 VanDerWaalsContact CD-NH2 3.31Å; E67-R170 VanDerWaalsContact CG-NH1 3.34Å; E67-R170 IonicContact OE1-CZ 3.93Å; E67-R170 IonicContact OE1-NH1 3.65Å; E67-R170 IonicContact OE1-NH2 2.68Å; E67-R170 IonicContact OE2-CZ 3.18Å; E67-R170 IonicContact OE2-NH1 3.65Å; E67-R170 PolarHBondContact OE2-NH1 3.23Å; E67-R170 IonicContact OE2-NH2 3.55Å; E67-R170 PolarHBondContact OE2-NH2 2.88Å
68P94.6Very high95.1Very high64 Ų6442 Ų4242%0.41622%0.224SC..THydrogen-bonded Turntrans-61.4-16.9-173.421.4-32.6000115Y27 S31 L32Y27-P68 HydrophobicContact CD1-CB 4Å; Y27-P68 HydrophobicContact CE1-CB 4.27Å; Y27-P68 HydrophobicContact CE1-CG 4.35Å; S31-P68 CarbonylContact C-O 3.04Å; S31-P68 WeakPolarHBondContact CA-O 3.5Å; S31-P68 WeakPolarHBondContact CB-O 3.46Å; S31-P68 WeakPolarHBondContact OG-CB 3.38Å; L32-P68 PolarHBondContact N-O 3.38Å
69D95.3Very high95.1Very high57 Ų5743.4 Ų43.431%0.30523%0.231SC..THydrogen-bonded Turntrans-96.8717878.3-46.3000113.9E67 R170 R173E67-D69 PolarHBondContact O-N 2.95Å; D69-R170 IonicContact OD1-CZ 3.45Å; D69-R170 IonicContact OD1-NH1 2.74Å; D69-R170 PolarHBondContact OD1-NH1 3.22Å; D69-R170 VanDerWaalsContact OD1-NH1 3.08Å; D69-R170 IonicContact OD1-NH2 3.34Å; D69-R173 PolarHBondContact O-NH2 3.01Å; D69-R173 IonicContact OD2-CZ 3.57Å; D69-R173 IonicContact OD2-NH1 3.49Å; D69-R173 PolarHBondContact OD2-NH1 2.76Å; D69-R173 IonicContact OD2-NH2 3.06Å
70D95.5Very high95.1Very high0 Ų043.5 Ų43.50%023%0.232CC..  trans-75.8134.1174.5-76.5-38.3000112.1L32 C33 W66 E67 P72 E75 R170L32-D70 CarbonylContact C-O 3.58Å; L32-D70 WeakPolarHBondContact CB-O 3.48Å; C33-D70 HydrophobicContact CB-CB 4.25Å; C33-D70 WeakPolarHBondContact CB-O 3.45Å; C33-D70 PolarHBondContact N-O 3.49Å; W66-D70 WeakPolarHBondContact CA-OD2 3.45Å; W66-D70 HydrophobicContact CE3-CB 3.76Å; W66-D70 HydrophobicContact CZ3-CB 4.08Å; E67-D70 PolarHBondContact N-OD2 3.06Å; E67-D70 WeakPolarHBondContact O-CB 3.3Å; E67-D70 PolarHBondContact O-N 3.46Å; D70-P72 WeakPolarHBondContact O-CD 3.27Å; D70-E75 HydrophobicContact CB-CG 4.35Å; D70-R170 WeakPolarHBondContact OD1-CD 3.43Å; D70-R170 IonicContact OD1-CZ 3.92Å; D70-R170 IonicContact OD1-NE 4Å; D70-R170 IonicContact OD1-NH1 3.99Å; D70-R170 PolarHBondContact OD1-NH1 2.9Å; D70-R170 WeakPolarHBondContact OD2-CD 3.16Å; D70-R170 IonicContact OD2-CZ 3.7Å; D70-R170 IonicContact OD2-NH1 3.74Å; D70-R170 PolarHBondContact OD2-NH1 3.31Å
71D95.6Very high95.1Very high42 Ų4246.8 Ų46.823%0.22525%0.253CS..  trans-97.3111.9170.2179.4-26.7000108.4D73 K74 E75D71-D73 VanDerWaalsContact C-N 3.25Å; D71-D73 PolarHBondContact O-N 3.29Å; D71-D73 PolarHBondContact OD1-N 3.38Å; D71-K74 HydrophobicContact CB-CB 4Å; D71-K74 HydrophobicContact CB-CD 3.85Å; D71-K74 HydrophobicContact CB-CG 3.94Å; D71-K74 PolarHBondContact O-N 2.99Å; D71-K74 VanDerWaalsContact O-N 3.08Å; D71-K74 PolarHBondContact OD1-N 3.34Å; D71-K74 WeakPolarHBondContact OD2-CE 3.31Å; D71-K74 IonicContact OD2-NZ 3.63Å; D71-E75 PolarHBondContact O-N 2.86Å
72P96.3Very high95Very high2 Ų253.6 Ų53.61%0.01328%0.283CS..Hα-helixtrans-60.4-31.4-175.2-24.936.1000113.8L32 C33 K37 M38 S41 F43 W66 D70 H76L32-P72 WeakPolarHBondContact O-CD 3.45Å; C33-P72 HydrophobicContact CB-CG 4.11Å; K37-P72 HydrophobicContact CB-CG 4.31Å; M38-P72 HydrophobicContact CG-CG 4.14Å; M38-P72 HydrophobicContact SD-CB 3.69Å; M38-P72 HydrophobicContact SD-CG 3.39Å; M38-P72 WeakPolarHBondContact SD-CG 3.48Å; S41-P72 WeakPolarHBondContact OG-CB 3.33Å; F43-P72 HydrophobicContact CD2-CB 4.21Å; F43-P72 HydrophobicContact CE2-CB 4.24Å; W66-P72 HydrophobicContact CH2-CB 4.16Å; W66-P72 HydrophobicContact CZ3-CB 4.12Å; W66-P72 HydrophobicContact CZ3-CG 4.16Å; D70-P72 WeakPolarHBondContact O-CD 3.27Å; P72-H76 WeakPolarHBondContact O-CB 3.21Å; P72-H76 PolarHBondContact O-N 3.28Å
73D95.6Very high95Very high79 Ų7952.1 Ų52.142%0.42228%0.276SS..Hα-helixtrans-70-39.9176.5-74.8-28.8000111.1S41 D71 K77S41-D73 WeakPolarHBondContact CB-OD1 3.43Å; S41-D73 PolarHBondContact OG-N 2.95Å; S41-D73 PolarHBondContact OG-OD1 3.38Å; D71-D73 VanDerWaalsContact C-N 3.25Å; D71-D73 PolarHBondContact O-N 3.29Å; D71-D73 PolarHBondContact OD1-N 3.38Å; D73-K77 VanDerWaalsContact O-CB 3.31Å; D73-K77 WeakPolarHBondContact O-CB 3.28Å; D73-K77 PolarHBondContact O-N 3Å
74K96.4Very high95Very high134 Ų13454 Ų5458%0.58329%0.289SS*.Hα-helixtrans-68.1-45.1177-67.1-178.7-170.8163.60111.6D71 K77 S78D71-K74 HydrophobicContact CB-CB 4Å; D71-K74 HydrophobicContact CB-CD 3.85Å; D71-K74 HydrophobicContact CB-CG 3.94Å; D71-K74 PolarHBondContact O-N 2.99Å; D71-K74 VanDerWaalsContact O-N 3.08Å; D71-K74 PolarHBondContact OD1-N 3.34Å; D71-K74 WeakPolarHBondContact OD2-CE 3.31Å; D71-K74 IonicContact OD2-NZ 3.63Å; K74-K77 PolarHBondContact O-N 2.93Å; K74-S78 WeakPolarHBondContact O-CB 3.31Å; K74-S78 PolarHBondContact O-N 2.98Å
75E96.7Very high95.1Very high17 Ų1752.5 Ų52.58%0.07928%0.282CS..Hα-helixtrans-62.2-44.8176.8-71.4-54.9115.800110.8L63 W66 D70 D71 K77 S78 H79L63-E75 HydrophobicContact CD1-CB 4.08Å; W66-E75 HydrophobicContact CH2-CB 3.94Å; W66-E75 HydrophobicContact CH2-CG 4.39Å; W66-E75 HydrophobicContact CZ3-CB 4.02Å; W66-E75 HydrophobicContact CZ3-CG 3.98Å; D70-E75 HydrophobicContact CB-CG 4.35Å; D71-E75 PolarHBondContact O-N 2.86Å; E75-K77 PolarHBondContact O-N 3.24Å; E75-S78 PolarHBondContact O-N 2.98Å; E75-H79 PolarHBondContact O-CD2 3.2Å; E75-H79 VanDerWaalsContact O-CD2 3.23Å; E75-H79 PolarHBondContact O-N 2.95Å; E75-H79 IonicContact OE2-CD2 3.71Å; E75-H79 IonicContact OE2-NE2 3.36Å; E75-H79 PolarHBondContact OE2-NE2 3Å
76H95.9Very high95.2Very high0 Ų053 Ų530%027%0.273CS..Hα-helixtrans-59.7-45.7176.2-167.2175.4000111.7S41 F43 C56 C59 P72 H79 S80 C83 L86S41-H76 PolarHBondContact O-ND1 3.21Å; F43-H76 HydrophobicContact CE2-CB 3.78Å; F43-H76 HydrophobicContact CZ-CB 3.74Å; F43-H76 AromaticContact CZ-CG 3.87Å; C56-H76 PolarHBondContact SG-CE1 3.17Å; C56-H76 PolarHBondContact SG-NE2 3.3Å; C56-H76 VanDerWaalsContact SG-NE2 3.41Å; C59-H76 PolarHBondContact SG-NE2 3.16Å; C59-H76 VanDerWaalsContact SG-NE2 3.4Å; P72-H76 WeakPolarHBondContact O-CB 3.21Å; P72-H76 PolarHBondContact O-N 3.28Å; H76-H79 PolarHBondContact O-N 3.22Å; H76-S80 CarbonylContact O-C 3.5Å; H76-S80 WeakPolarHBondContact O-CA 3.5Å; H76-S80 PolarHBondContact O-N 2.75Å; H76-C83 WeakPolarHBondContact NE2-CB 3.25Å; H76-C83 PolarHBondContact NE2-SG 2.8Å; H76-L86 HydrophobicContact CB-CD2 4.08Å
77K95.7Very high95Very high145 Ų14560.8 Ų60.863%0.6331%0.308SS*.Hα-helixtrans-64.6-39177.2-173.4177.2179.8179.90112.7D73 K74 E75 P81 L86D73-K77 VanDerWaalsContact O-CB 3.31Å; D73-K77 WeakPolarHBondContact O-CB 3.28Å; D73-K77 PolarHBondContact O-N 3Å; K74-K77 PolarHBondContact O-N 2.93Å; E75-K77 PolarHBondContact O-N 3.24Å; K77-P81 WeakPolarHBondContact O-CA 3.35Å; K77-P81 VanDerWaalsContact O-CB 3.24Å; K77-P81 WeakPolarHBondContact O-CB 3.13Å; K77-P81 VanDerWaalsContact O-CD 3.31Å; K77-P81 WeakPolarHBondContact O-CD 3.12Å; K77-L86 HydrophobicContact CB-CD1 4.15Å
78S95.5Very high94.8Very high72 Ų7258.6 Ų58.650%0.50330%0.302SS..Hα-helixtrans-63.1-49.9177.1-176.90000111.3K74 E75K74-S78 WeakPolarHBondContact O-CB 3.31Å; K74-S78 PolarHBondContact O-N 2.98Å; E75-S78 PolarHBondContact O-N 2.98Å
79H94.4Very high94.6Very high28 Ų2859.5 Ų59.513%0.1330%0.299CS..Hα-helixtrans-84.8-25.5-172.5-72.2-83.9000113.9K61 L63 E75 H76 S168 T169 S171K61-H79 HydrophobicContact CD-CB 4Å; K61-H79 WeakPolarHBondContact CE-O 3.44Å; K61-H79 HydrophobicContact CG-CB 4.09Å; K61-H79 PolarHBondContact NZ-O 3.38Å; L63-H79 HydrophobicContact CD2-CB 3.85Å; E75-H79 PolarHBondContact O-CD2 3.2Å; E75-H79 VanDerWaalsContact O-CD2 3.23Å; E75-H79 PolarHBondContact O-N 2.95Å; E75-H79 IonicContact OE2-CD2 3.71Å; E75-H79 IonicContact OE2-NE2 3.36Å; E75-H79 PolarHBondContact OE2-NE2 3Å; H76-H79 PolarHBondContact O-N 3.22Å; H79-S168 PolarHBondContact CE1-OG 2.9Å; H79-S168 WeakPolarHBondContact ND1-CB 3.08Å; H79-S168 PolarHBondContact ND1-OG 3.37Å; H79-T169 PolarHBondContact CE1-O 2.87Å; H79-S171 PolarHBondContact CE1-OG 3.23Å; H79-S171 PolarHBondContact NE2-N 3.43Å; H79-S171 PolarHBondContact NE2-OG 3.22Å
80S94.2Very high94Very high21 Ų2158.7 Ų58.715%0.14729%0.294CS..  trans-143.663.8-179.5-159.30000112.5C59 H76 K82 C83 L86C59-S80 PolarHBondContact SG-OG 3.04Å; H76-S80 CarbonylContact O-C 3.5Å; H76-S80 WeakPolarHBondContact O-CA 3.5Å; H76-S80 PolarHBondContact O-N 2.75Å; S80-K82 PolarHBondContact O-N 3.38Å; S80-C83 WeakPolarHBondContact O-CB 3.37Å; S80-C83 PolarHBondContact O-N 3.08Å; S80-L86 VanDerWaalsContact O-CD1 3.28Å; S80-L86 WeakPolarHBondContact O-CD1 3.47Å
81P94.3Very high93.6Very high74 Ų7460.9 Ų60.948%0.48130%0.302SS..THydrogen-bonded Turntrans-63.4-12.7-17323.6-34.5000114.7K77K77-P81 WeakPolarHBondContact O-CA 3.35Å; K77-P81 VanDerWaalsContact O-CB 3.24Å; K77-P81 WeakPolarHBondContact O-CB 3.13Å; K77-P81 VanDerWaalsContact O-CD 3.31Å; K77-P81 WeakPolarHBondContact O-CD 3.12Å
82K93.6Very high93.1Very high167 Ų16763.4 Ų63.473%0.72631%0.313SS*.THydrogen-bonded Turntrans-101.85179.6-62.2-171-179.9-172.90113.2S80 P84S80-K82 PolarHBondContact O-N 3.38Å; K82-P84 WeakPolarHBondContact O-CD 3.47Å
83C95.1Very high92.8Very high1 Ų169.4 Ų69.41%0.00734%0.341CS..  trans-56.3126.1176.1-179.10000110.2C59 H76 S80 F85 L86C59-C83 HydrophobicContact CB-CB 3.78Å; C59-C83 VanDerWaalsContact CB-SG 3.53Å; C59-C83 VanDerWaalsContact SG-SG 3.65Å; H76-C83 WeakPolarHBondContact NE2-CB 3.25Å; H76-C83 PolarHBondContact NE2-SG 2.8Å; S80-C83 WeakPolarHBondContact O-CB 3.37Å; S80-C83 PolarHBondContact O-N 3.08Å; C83-F85 PolarHBondContact O-N 2.95Å; C83-L86 HydrophobicContact CB-CD1 3.91Å; C83-L86 HydrophobicContact CB-CG 3.98Å; C83-L86 PolarHBondContact O-N 3.16Å; C83-L86 VanDerWaalsContact O-N 3.16Å
84P94.4Very high92.7Very high44 Ų4466.9 Ų66.929%0.28633%0.327SS..G310 helixtrans-56.2-35.9178-27.235.1000113V58 K82 L86 K87 M102 E105V58-P84 HydrophobicContact CG1-CB 4.27Å; V58-P84 HydrophobicContact CG1-CG 4.15Å; K82-P84 WeakPolarHBondContact O-CD 3.47Å; P84-L86 VanDerWaalsContact C-N 3.29Å; P84-L86 PolarHBondContact O-N 3.36Å; P84-K87 PolarHBondContact O-N 3.44Å; P84-K87 VanDerWaalsContact O-N 3.17Å; P84-M102 HydrophobicContact CB-CE 4.23Å; P84-M102 HydrophobicContact CB-SD 3.98Å; P84-E105 HydrophobicContact CG-CB 4.44Å
85F95.6Very high92.7Very high11 Ų1163.6 Ų63.65%0.04832%0.318CS..G310 helixtrans-61.9-31.8179.8-171.2-109.5000113.8F57 V58 C83 K87 S88F57-F85 HydrophobicContact CE1-CD1 4.28Å; F57-F85 AromaticContact CE1-CD2 3.64Å; F57-F85 HydrophobicContact CE1-CD2 3.64Å; F57-F85 HydrophobicContact CE1-CE1 4.31Å; F57-F85 AromaticContact CE1-CE2 3.67Å; F57-F85 HydrophobicContact CE1-CE2 3.67Å; F57-F85 AromaticContact CE1-CG 3.96Å; F57-F85 HydrophobicContact CE1-CG 3.96Å; F57-F85 HydrophobicContact CE1-CZ 4.02Å; F57-F85 AromaticContact CZ-CD2 3.69Å; F57-F85 HydrophobicContact CZ-CD2 3.69Å; F57-F85 AromaticContact CZ-CE2 3.81Å; F57-F85 HydrophobicContact CZ-CE2 3.81Å; F57-F85 HydrophobicContact CZ-CG 4.37Å; V58-F85 HydrophobicContact CB-CB 4.21Å; V58-F85 HydrophobicContact CG2-CB 3.93Å; V58-F85 HydrophobicContact CG2-CD2 4.45Å; V58-F85 HydrophobicContact CG2-CG 4.41Å; C83-F85 PolarHBondContact O-N 2.95Å; F85-K87 PolarHBondContact O-N 2.89Å; F85-S88 WeakPolarHBondContact CA-OG 3.42Å; F85-S88 PolarHBondContact O-N 3.31Å; F85-S88 PolarHBondContact O-OG 3.07Å
86L94.4Very high92.6Very high54 Ų5472.4 Ų72.428%0.28335%0.352SS..G310 helixtrans-68.2-17.3179.7-71.2173.7000113.4H76 K77 S80 C83 P84H76-L86 HydrophobicContact CB-CD2 4.08Å; K77-L86 HydrophobicContact CB-CD1 4.15Å; S80-L86 VanDerWaalsContact O-CD1 3.28Å; S80-L86 WeakPolarHBondContact O-CD1 3.47Å; C83-L86 HydrophobicContact CB-CD1 3.91Å; C83-L86 HydrophobicContact CB-CG 3.98Å; C83-L86 PolarHBondContact O-N 3.16Å; C83-L86 VanDerWaalsContact O-N 3.16Å; P84-L86 VanDerWaalsContact C-N 3.29Å; P84-L86 PolarHBondContact O-N 3.36Å
87K91.4Very high92.6Very high176 Ų17678.9 Ų78.977%0.76538%0.382SS*.G310 helixtrans-105.4-1.9-179-61.7-177.6-178.2-179.20112.7P84 F85P84-K87 PolarHBondContact O-N 3.44Å; P84-K87 VanDerWaalsContact O-N 3.17Å; F85-K87 PolarHBondContact O-N 2.89Å
88S91.1Very high92.6Very high42 Ų4276 Ų7629%0.29437%0.371SS..SBendtrans-103.2164.3-178.867.60000110.9F85 M94 M102F85-S88 WeakPolarHBondContact CA-OG 3.42Å; F85-S88 PolarHBondContact O-N 3.31Å; F85-S88 PolarHBondContact O-OG 3.07Å; S88-M94 VanDerWaalsContact CB-CE 3.42Å; S88-M94 WeakPolarHBondContact OG-CE 3.38Å; S88-M102 WeakPolarHBondContact OG-CE 2.98Å
89K88.7Confident92.5Very high83 Ų8372.8 Ų72.836%0.36135%0.349SS..PPolyproline II helixtrans-66.4171.5160.454.4-172.5162.7156.60110.6Q93 M94 E98K89-Q93 HydrophobicContact CB-CB 4.4Å; K89-Q93 HydrophobicContact CD-CB 4.07Å; K89-Q93 VanDerWaalsContact CD-O 3.29Å; K89-Q93 WeakPolarHBondContact CD-O 3.43Å; K89-Q93 VanDerWaalsContact CE-O 3.3Å; K89-Q93 WeakPolarHBondContact CE-O 3.3Å; K89-Q93 HydrophobicContact CG-CB 4.31Å; K89-Q93 PolarHBondContact NZ-O 2.94Å; K89-M94 HydrophobicContact CG-CG 3.97Å; K89-M94 WeakPolarHBondContact O-CE 3.5Å; K89-E98 VanDerWaalsContact CE-CD 3.43Å; K89-E98 WeakPolarHBondContact CE-OE1 3.3Å; K89-E98 WeakPolarHBondContact CE-OE2 3.36Å; K89-E98 IonicContact NZ-OE1 3.63Å; K89-E98 IonicContact NZ-OE2 2.68Å; K89-E98 PolarHBondContact NZ-OE2 3.38Å
90Q83.1Confident92.5Very high40 Ų4076.9 Ų76.919%0.18737%0.371CS..PPolyproline II helixtrans-58.9145.3173.4-69.8-65.2-27.500110.2K40 E92 Q93 M94K40-Q90 PolarHBondContact O-NE2 2.92Å; K40-Q90 PolarHBondContact O-OE1 2.97Å; K40-Q90 VanDerWaalsContact O-OE1 3.13Å; Q90-E92 PolarHBondContact O-N 2.86Å; Q90-Q93 HydrophobicContact CB-CG 4.26Å; Q90-Q93 WeakPolarHBondContact O-CA 3.39Å; Q90-Q93 WeakPolarHBondContact O-CB 3.39Å; Q90-Q93 PolarHBondContact O-N 2.89Å; Q90-M94 PolarHBondContact O-N 3.3Å
91Y87.1Confident92.6Very high46 Ų4678.6 Ų78.618%0.1839%0.387CS..G310 helixtrans-57.4-38.3-173.2-170.7-87000111.7S13 Q93 M94 G99 M102 D103S13-Y91 VanDerWaalsContact CB-CZ 3.47Å; S13-Y91 VanDerWaalsContact O-CD1 3.3Å; S13-Y91 WeakPolarHBondContact O-CD1 2.8Å; Y91-Q93 PolarHBondContact O-N 2.86Å; Y91-Q93 VanDerWaalsContact O-N 3.16Å; Y91-M94 HydrophobicContact CD2-CE 4.5Å; Y91-M94 HydrophobicContact CD2-SD 4.02Å; Y91-M94 VanDerWaalsContact O-CB 3.3Å; Y91-M94 WeakPolarHBondContact O-CB 3.22Å; Y91-M94 PolarHBondContact O-N 3.44Å; Y91-M94 VanDerWaalsContact O-N 3.07Å; Y91-G99 PolarHBondContact OH-O 3.27Å; Y91-M102 HydrophobicContact CD2-CB 4.45Å; Y91-M102 HydrophobicContact CD2-CG 4.31Å; Y91-M102 HydrophobicContact CE2-CB 4.21Å; Y91-M102 HydrophobicContact CE2-CG 4.43Å; Y91-D103 PolarHBondContact OH-OD2 3.08Å; Y91-D103 VanDerWaalsContact OH-OD2 3.07Å
92E85.9Confident92.6Very high95 Ų9575.8 Ų75.844%0.44437%0.367SS..G310 helixtrans-67-15.2179-63.369.2-152.500113.4Y15 Q90Y15-E92 WeakPolarHBondContact CA-OE1 3.45Å; Y15-E92 VanDerWaalsContact CB-CD 3.48Å; Y15-E92 WeakPolarHBondContact CB-OE1 3.09Å; Y15-E92 PolarHBondContact N-OE1 3.17Å; Q90-E92 PolarHBondContact O-N 2.86Å
93Q90.4Very high92.6Very high128 Ų12869.2 Ų69.260%0.59834%0.34SS*.G310 helixtrans-101.5-4.6177.9-59.6174.5-1000112.1K89 Q90 Y91K89-Q93 HydrophobicContact CB-CB 4.4Å; K89-Q93 HydrophobicContact CD-CB 4.07Å; K89-Q93 VanDerWaalsContact CD-O 3.29Å; K89-Q93 WeakPolarHBondContact CD-O 3.43Å; K89-Q93 VanDerWaalsContact CE-O 3.3Å; K89-Q93 WeakPolarHBondContact CE-O 3.3Å; K89-Q93 HydrophobicContact CG-CB 4.31Å; K89-Q93 PolarHBondContact NZ-O 2.94Å; Q90-Q93 HydrophobicContact CB-CG 4.26Å; Q90-Q93 WeakPolarHBondContact O-CA 3.39Å; Q90-Q93 WeakPolarHBondContact O-CB 3.39Å; Q90-Q93 PolarHBondContact O-N 2.89Å; Y91-Q93 PolarHBondContact O-N 2.86Å; Y91-Q93 VanDerWaalsContact O-N 3.16Å
94M93.9Very high92.6Very high27 Ų2773.5 Ų73.513%0.13337%0.366CS..SBendtrans-70.7150.2177.6-67.1-172.7-16800111.7S88 K89 Q90 Y91 E98 M102S88-M94 VanDerWaalsContact CB-CE 3.42Å; S88-M94 WeakPolarHBondContact OG-CE 3.38Å; K89-M94 HydrophobicContact CG-CG 3.97Å; K89-M94 WeakPolarHBondContact O-CE 3.5Å; Q90-M94 PolarHBondContact O-N 3.3Å; Y91-M94 HydrophobicContact CD2-CE 4.5Å; Y91-M94 HydrophobicContact CD2-SD 4.02Å; Y91-M94 VanDerWaalsContact O-CB 3.3Å; Y91-M94 WeakPolarHBondContact O-CB 3.22Å; Y91-M94 PolarHBondContact O-N 3.44Å; Y91-M94 VanDerWaalsContact O-N 3.07Å; M94-E98 WeakPolarHBondContact CA-OE2 3.45Å; M94-E98 HydrophobicContact CB-CB 3.82Å; M94-E98 HydrophobicContact CG-CB 4.13Å; M94-E98 HydrophobicContact SD-CB 4.23Å; M94-M102 HydrophobicContact CE-CE 3.81Å; M94-M102 HydrophobicContact SD-CB 4.25Å
95T96Very high92.5Very high64 Ų6476.2 Ų76.239%0.39338%0.375SS..  trans-67.5167.2161.178.20000109.5E97 E98 G99T95-E97 VanDerWaalsContact C-N 3.26Å; T95-E97 VanDerWaalsContact CB-OE2 3.3Å; T95-E97 WeakPolarHBondContact CB-OE2 3.16Å; T95-E97 PolarHBondContact O-N 3.32Å; T95-E97 PolarHBondContact OG1-N 3.07Å; T95-E97 PolarHBondContact OG1-OE2 3.25Å; T95-E98 PolarHBondContact N-OE2 2.97Å; T95-E98 PolarHBondContact O-N 2.85Å; T95-E98 PolarHBondContact OG1-N 2.95Å; T95-G99 PolarHBondContact O-N 3.4Å
96Y94Very high92.5Very high203 Ų20376.1 Ų76.180%0.79637%0.374SS*.Hα-helixtrans-58.8-40.1175.7-68.2-71000112G99 L100Y96-G99 PolarHBondContact O-N 2.83Å; Y96-L100 WeakPolarHBondContact O-CB 3.39Å; Y96-L100 WeakPolarHBondContact O-CG 3.15Å; Y96-L100 PolarHBondContact O-N 3.49Å
97E96.2Very high92.4Very high136 Ų13676.7 Ų76.764%0.63637%0.373SS*.Hα-helixtrans-65.1-44.8178.9-58.577.2-167.300111.7T95 L100 A101T95-E97 VanDerWaalsContact C-N 3.26Å; T95-E97 VanDerWaalsContact CB-OE2 3.3Å; T95-E97 WeakPolarHBondContact CB-OE2 3.16Å; T95-E97 PolarHBondContact O-N 3.32Å; T95-E97 PolarHBondContact OG1-N 3.07Å; T95-E97 PolarHBondContact OG1-OE2 3.25Å; E97-L100 PolarHBondContact O-N 2.92Å; E97-A101 WeakPolarHBondContact O-CB 3.47Å; E97-A101 PolarHBondContact O-N 3.3Å
98E95.5Very high92.4Very high84 Ų8471.5 Ų71.539%0.39336%0.358SS..Hα-helixtrans-64.6-42.8177.3-70.9172.314000111.6K89 M94 T95 A101 M102K89-E98 VanDerWaalsContact CE-CD 3.43Å; K89-E98 WeakPolarHBondContact CE-OE1 3.3Å; K89-E98 WeakPolarHBondContact CE-OE2 3.36Å; K89-E98 IonicContact NZ-OE1 3.63Å; K89-E98 IonicContact NZ-OE2 2.68Å; K89-E98 PolarHBondContact NZ-OE2 3.38Å; M94-E98 WeakPolarHBondContact CA-OE2 3.45Å; M94-E98 HydrophobicContact CB-CB 3.82Å; M94-E98 HydrophobicContact CG-CB 4.13Å; M94-E98 HydrophobicContact SD-CB 4.23Å; T95-E98 PolarHBondContact N-OE2 2.97Å; T95-E98 PolarHBondContact O-N 2.85Å; T95-E98 PolarHBondContact OG1-N 2.95Å; E98-A101 PolarHBondContact O-N 3.4Å; E98-M102 PolarHBondContact O-N 3.37Å
99G94.2Very high92.4Very high4 Ų471.6 Ų71.64%0.04136%0.357CS..Hα-helixtrans-62.9-46.2176.700000112.1Y91 T95 Y96 A101 M102 D103Y91-G99 PolarHBondContact OH-O 3.27Å; T95-G99 PolarHBondContact O-N 3.4Å; Y96-G99 PolarHBondContact O-N 2.83Å; G99-A101 PolarHBondContact O-N 3.41Å; G99-M102 WeakPolarHBondContact O-CB 3.46Å; G99-M102 PolarHBondContact O-N 3.01Å; G99-D103 PolarHBondContact O-N 3.29Å
100L94.2Very high92.4Very high114 Ų11470.4 Ų70.460%0.59735%0.351SS*.Hα-helixtrans-61-42.8175.4-75.1170.7000111.9Y96 E97 M102 D103 V104Y96-L100 WeakPolarHBondContact O-CB 3.39Å; Y96-L100 WeakPolarHBondContact O-CG 3.15Å; Y96-L100 PolarHBondContact O-N 3.49Å; E97-L100 PolarHBondContact O-N 2.92Å; L100-M102 VanDerWaalsContact C-N 3.32Å; L100-M102 PolarHBondContact O-N 3.07Å; L100-D103 PolarHBondContact O-N 3.25Å; L100-V104 WeakPolarHBondContact O-CG2 3.47Å; L100-V104 PolarHBondContact O-N 3.04Å
101A95.2Very high92.6Very high57 Ų5773.1 Ų73.147%0.47137%0.366SS..Hα-helixtrans-60.9-42.1175.400000111.6E97 E98 G99 V104 E105E97-A101 WeakPolarHBondContact O-CB 3.47Å; E97-A101 PolarHBondContact O-N 3.3Å; E98-A101 PolarHBondContact O-N 3.4Å; G99-A101 PolarHBondContact O-N 3.41Å; A101-V104 PolarHBondContact O-N 3.5Å; A101-E105 WeakPolarHBondContact O-CG 3.18Å; A101-E105 PolarHBondContact O-N 3.04Å
102M95.1Very high92.6Very high15 Ų1574.1 Ų74.17%0.07438%0.38CS..Hα-helixtrans-64-41.2176.2-171.462.571.800112.2V58 P84 S88 Y91 M94 E98 G99 L100 E105 R106V58-M102 HydrophobicContact CB-SD 4.43Å; V58-M102 HydrophobicContact CG1-SD 3.8Å; V58-M102 HydrophobicContact CG2-CG 4.09Å; V58-M102 HydrophobicContact CG2-SD 3.76Å; P84-M102 HydrophobicContact CB-CE 4.23Å; P84-M102 HydrophobicContact CB-SD 3.98Å; S88-M102 WeakPolarHBondContact OG-CE 2.98Å; Y91-M102 HydrophobicContact CD2-CB 4.45Å; Y91-M102 HydrophobicContact CD2-CG 4.31Å; Y91-M102 HydrophobicContact CE2-CB 4.21Å; Y91-M102 HydrophobicContact CE2-CG 4.43Å; M94-M102 HydrophobicContact CE-CE 3.81Å; M94-M102 HydrophobicContact SD-CB 4.25Å; E98-M102 PolarHBondContact O-N 3.37Å; G99-M102 WeakPolarHBondContact O-CB 3.46Å; G99-M102 PolarHBondContact O-N 3.01Å; L100-M102 VanDerWaalsContact C-N 3.32Å; L100-M102 PolarHBondContact O-N 3.07Å; M102-E105 PolarHBondContact O-N 3.18Å; M102-R106 WeakPolarHBondContact O-CB 3.32Å; M102-R106 PolarHBondContact O-N 3.39Å
103D93.7Very high92.5Very high30 Ų3070.9 Ų70.916%0.1636%0.364CS..Hα-helixtrans-64.5-40.5176.2-85.1-20000111.4S13 Y91 G99 L100 R106 Y107S13-D103 WeakPolarHBondContact CB-OD1 3.41Å; Y91-D103 PolarHBondContact OH-OD2 3.08Å; Y91-D103 VanDerWaalsContact OH-OD2 3.07Å; G99-D103 PolarHBondContact O-N 3.29Å; L100-D103 PolarHBondContact O-N 3.25Å; D103-R106 WeakPolarHBondContact O-CB 3.34Å; D103-R106 PolarHBondContact O-N 3.33Å; D103-R106 IonicContact OD1-CZ 3.08Å; D103-R106 IonicContact OD1-NH1 2.95Å; D103-R106 PolarHBondContact OD1-NH1 3.46Å; D103-Y107 WeakPolarHBondContact O-CD2 3.3Å; D103-Y107 PolarHBondContact O-N 3.3Å
104V94.2Very high92.1Very high90 Ų9067.1 Ų67.155%0.54535%0.348SS..Hα-helixtrans-59-49.5173.8171.10000111L100 A101 R106 Y107 C108L100-V104 WeakPolarHBondContact O-CG2 3.47Å; L100-V104 PolarHBondContact O-N 3.04Å; A101-V104 PolarHBondContact O-N 3.5Å; V104-R106 VanDerWaalsContact C-N 3.32Å; V104-R106 PolarHBondContact O-N 2.94Å; V104-Y107 PolarHBondContact O-N 3.37Å; V104-C108 WeakPolarHBondContact O-CB 3.32Å; V104-C108 PolarHBondContact O-N 2.75Å; V104-C108 PolarHBondContact O-SG 3.14Å; V104-C108 VanDerWaalsContact O-SG 3.38Å
105E93.7Very high91.5Very high101 Ų10170.3 Ų70.347%0.47237%0.365SS..Hα-helixtrans-57.6-43.9177.1-74.8-67.5162.600112P84 A101 M102 T109P84-E105 HydrophobicContact CG-CB 4.44Å; A101-E105 WeakPolarHBondContact O-CG 3.18Å; A101-E105 PolarHBondContact O-N 3.04Å; M102-E105 PolarHBondContact O-N 3.18Å; E105-T109 WeakPolarHBondContact O-CB 3.5Å; E105-T109 PolarHBondContact O-N 2.99Å; E105-T109 PolarHBondContact O-OG1 3.49Å
106R93.6Very high90.7Very high9 Ų968.4 Ų68.43%0.03435%0.354CS..Hα-helixtrans-58.3-51.3173.9174.1-179.196.3-166.84.2111.4R9 F10 S13 F57 M102 D103 V104 T109 Y110R9-R106 PolarHBondContact O-NH2 2.77Å; F10-R106 PolarHBondContact O-NH2 3.18Å; S13-R106 VanDerWaalsContact N-NH1 3.13Å; F57-R106 WeakPolarHBondContact O-CD 3.43Å; F57-R106 WeakPolarHBondContact O-CG 3.43Å; M102-R106 WeakPolarHBondContact O-CB 3.32Å; M102-R106 PolarHBondContact O-N 3.39Å; D103-R106 WeakPolarHBondContact O-CB 3.34Å; D103-R106 PolarHBondContact O-N 3.33Å; D103-R106 IonicContact OD1-CZ 3.08Å; D103-R106 IonicContact OD1-NH1 2.95Å; D103-R106 PolarHBondContact OD1-NH1 3.46Å; V104-R106 VanDerWaalsContact C-N 3.32Å; V104-R106 PolarHBondContact O-N 2.94Å; R106-T109 WeakPolarHBondContact O-CB 3.46Å; R106-T109 PolarHBondContact O-N 2.9Å; R106-Y110 WeakPolarHBondContact O-CB 3.44Å; R106-Y110 PolarHBondContact O-N 3.2Å
107Y92.4Very high89.9Confident66 Ų6664.4 Ų64.426%0.25935%0.346SS..Hα-helixtrans-64.3-41.1-177.4-87.5-72.5000111.9F10 D103 V104 T109 Y110 L111F10-Y107 AromaticContact CD1-CZ 3.92Å; F10-Y107 WeakPolarHBondContact CD1-OH 3.49Å; F10-Y107 HydrophobicContact CE1-CE1 4.33Å; F10-Y107 AromaticContact CE1-CZ 3.88Å; F10-Y107 WeakPolarHBondContact CE1-OH 3.27Å; F10-Y107 WeakPolarHBondContact CG-OH 3.2Å; D103-Y107 WeakPolarHBondContact O-CD2 3.3Å; D103-Y107 PolarHBondContact O-N 3.3Å; V104-Y107 PolarHBondContact O-N 3.37Å; Y107-T109 VanDerWaalsContact C-N 3.31Å; Y107-T109 PolarHBondContact O-N 3.39Å; Y107-Y110 PolarHBondContact O-N 3.39Å; Y107-L111 WeakPolarHBondContact O-CB 2.99Å; Y107-L111 WeakPolarHBondContact O-CG 3.26Å; Y107-L111 PolarHBondContact O-N 2.97Å
108C92.2Very high89.1Confident68 Ų6864.1 Ų64.146%0.45935%0.345SS..Hα-helixtrans-59.1-43.3173.4-72.70000111.6V104 S112V104-C108 WeakPolarHBondContact O-CB 3.32Å; V104-C108 PolarHBondContact O-N 2.75Å; V104-C108 PolarHBondContact O-SG 3.14Å; V104-C108 VanDerWaalsContact O-SG 3.38Å; C108-S112 WeakPolarHBondContact O-CB 3.26Å; C108-S112 PolarHBondContact O-N 2.86Å; C108-S112 PolarHBondContact O-OG 3.01Å
109T91.2Very high88.4Confident43 Ų4366.5 Ų66.526%0.26435%0.352SS..Hα-helixtrans-64.8-45176.8-57.90000111.5M60 E105 R106 Y107 S112 K113M60-T109 HydrophobicContact CB-CG2 4.33Å; M60-T109 HydrophobicContact CG-CG2 3.85Å; E105-T109 WeakPolarHBondContact O-CB 3.5Å; E105-T109 PolarHBondContact O-N 2.99Å; E105-T109 PolarHBondContact O-OG1 3.49Å; R106-T109 WeakPolarHBondContact O-CB 3.46Å; R106-T109 PolarHBondContact O-N 2.9Å; Y107-T109 VanDerWaalsContact C-N 3.31Å; Y107-T109 PolarHBondContact O-N 3.39Å; T109-S112 WeakPolarHBondContact O-CB 3.29Å; T109-S112 PolarHBondContact O-N 2.83Å; T109-K113 PolarHBondContact O-N 3.23Å
110Y89.3Confident87.9Confident58 Ų5871 Ų7123%0.22737%0.374CS..Hα-helixtrans-61.5-48178.9174.1-118.7000112.5R9 M60 R106 Y107 S112 K113 I114R9-Y110 VanDerWaalsContact CD-OH 3.29Å; R9-Y110 WeakPolarHBondContact CD-OH 3.49Å; R9-Y110 VanDerWaalsContact NE-CZ 3.25Å; R9-Y110 PolarHBondContact NE-OH 3.12Å; M60-Y110 HydrophobicContact CE-CD2 3.97Å; R106-Y110 WeakPolarHBondContact O-CB 3.44Å; R106-Y110 PolarHBondContact O-N 3.2Å; Y107-Y110 PolarHBondContact O-N 3.39Å; Y110-S112 VanDerWaalsContact C-N 3.31Å; Y110-S112 PolarHBondContact O-N 3.3Å; Y110-K113 PolarHBondContact O-N 2.95Å; Y110-I114 HydrophobicContact CD1-CD1 4.14Å; Y110-I114 HydrophobicContact CD2-CD1 4.25Å; Y110-I114 HydrophobicContact CD2-CG1 4.42Å; Y110-I114 HydrophobicContact CE1-CD1 3.45Å; Y110-I114 VanDerWaalsContact CE1-CD1 3.45Å; Y110-I114 HydrophobicContact CE2-CD1 3.55Å; Y110-I114 HydrophobicContact CE2-CG1 3.94Å; Y110-I114 PolarHBondContact O-N 3.4Å; Y110-I114 VanDerWaalsContact OH-CD1 3.3Å; Y110-I114 WeakPolarHBondContact OH-CD1 2.95Å
111L87.6Confident87.1Confident97 Ų9767.6 Ų67.651%0.50836%0.358SS..Hα-helixtrans-62.5-40.5177.5-70.1174.4000111.3Y107 K113 I114 L115Y107-L111 WeakPolarHBondContact O-CB 2.99Å; Y107-L111 WeakPolarHBondContact O-CG 3.26Å; Y107-L111 PolarHBondContact O-N 2.97Å; L111-K113 VanDerWaalsContact C-N 3.29Å; L111-K113 PolarHBondContact O-N 3.49Å; L111-I114 PolarHBondContact O-N 3.39Å; L111-L115 WeakPolarHBondContact O-CB 3.45Å; L111-L115 VanDerWaalsContact O-CG 3.27Å; L111-L115 WeakPolarHBondContact O-CG 3.09Å; L111-L115 PolarHBondContact O-N 2.94Å
112S86.2Confident86.4Confident67 Ų6770.8 Ų70.847%0.46936%0.364SS..Hα-helixtrans-59.2-40.9175.5-59.80000111.9C108 T109 Y110 S116C108-S112 WeakPolarHBondContact O-CB 3.26Å; C108-S112 PolarHBondContact O-N 2.86Å; C108-S112 PolarHBondContact O-OG 3.01Å; T109-S112 WeakPolarHBondContact O-CB 3.29Å; T109-S112 PolarHBondContact O-N 2.83Å; Y110-S112 VanDerWaalsContact C-N 3.31Å; Y110-S112 PolarHBondContact O-N 3.3Å; S112-S116 PolarHBondContact O-N 3.34Å; S112-S116 VanDerWaalsContact O-N 3.08Å; S112-S116 PolarHBondContact O-OG 3.39Å
113K82.9Confident85.9Confident27 Ų2777.2 Ų77.212%0.11739%0.391CS..Hα-helixtrans-66.1-47.4175.7-174.4-176.5-179.5-178.40112.4Q55 M60 E62 T109 Y110 L111 L115 S116 D117 T166Q55-K113 VanDerWaalsContact NE2-NZ 3.13Å; M60-K113 HydrophobicContact CB-CD 4.28Å; M60-K113 HydrophobicContact CE-CD 4.07Å; E62-K113 IonicContact OE1-NZ 3.39Å; E62-K113 PolarHBondContact OE1-NZ 3.08Å; T109-K113 PolarHBondContact O-N 3.23Å; Y110-K113 PolarHBondContact O-N 2.95Å; L111-K113 VanDerWaalsContact C-N 3.29Å; L111-K113 PolarHBondContact O-N 3.49Å; K113-L115 VanDerWaalsContact C-N 3.3Å; K113-L115 PolarHBondContact O-N 3.21Å; K113-S116 WeakPolarHBondContact CA-OG 3.03Å; K113-S116 PolarHBondContact O-N 2.91Å; K113-S116 PolarHBondContact O-OG 3.01Å; K113-D117 VanDerWaalsContact O-CG 3.28Å; K113-D117 PolarHBondContact O-N 2.94Å; K113-T166 HydrophobicContact CD-CG2 4.14Å; K113-T166 WeakPolarHBondContact CE-OG1 3.4Å
114I82.7Confident85.5Confident49 Ų4979.7 Ų79.725%0.25141%0.407SS..Hα-helixtrans-58.6-47.2178.4-74.5177.2000110.7Y110 L111 S116 D117 Q118Y110-I114 HydrophobicContact CD1-CD1 4.14Å; Y110-I114 HydrophobicContact CD2-CD1 4.25Å; Y110-I114 HydrophobicContact CD2-CG1 4.42Å; Y110-I114 HydrophobicContact CE1-CD1 3.45Å; Y110-I114 VanDerWaalsContact CE1-CD1 3.45Å; Y110-I114 HydrophobicContact CE2-CD1 3.55Å; Y110-I114 HydrophobicContact CE2-CG1 3.94Å; Y110-I114 PolarHBondContact O-N 3.4Å; Y110-I114 VanDerWaalsContact OH-CD1 3.3Å; Y110-I114 WeakPolarHBondContact OH-CD1 2.95Å; L111-I114 PolarHBondContact O-N 3.39Å; I114-S116 VanDerWaalsContact C-N 3.25Å; I114-S116 PolarHBondContact O-N 3.38Å; I114-D117 PolarHBondContact O-N 3.08Å; I114-Q118 HydrophobicContact CG2-CG 4.17Å; I114-Q118 WeakPolarHBondContact O-CB 3.24Å; I114-Q118 WeakPolarHBondContact O-CG 3.48Å; I114-Q118 PolarHBondContact O-N 3.14Å
115L81.5Confident85.2Confident95 Ų9576.4 Ų76.450%0.49739%0.386SS..Hα-helixtrans-63.1-36-178.9-69.9172000111.2L111 K113 Y119L111-L115 WeakPolarHBondContact O-CB 3.45Å; L111-L115 VanDerWaalsContact O-CG 3.27Å; L111-L115 WeakPolarHBondContact O-CG 3.09Å; L111-L115 PolarHBondContact O-N 2.94Å; K113-L115 VanDerWaalsContact C-N 3.3Å; K113-L115 PolarHBondContact O-N 3.21Å; L115-Y119 HydrophobicContact CD2-CD2 4.33Å; L115-Y119 HydrophobicContact CD2-CE2 4.21Å; L115-Y119 WeakPolarHBondContact O-CB 3.35Å; L115-Y119 WeakPolarHBondContact O-CD2 3.37Å; L115-Y119 PolarHBondContact O-N 3.22Å
116S78.7Confident85Confident23 Ų2377.7 Ų77.716%0.16139%0.39CS..Hα-helixtrans-71.1-33.4175.666.50000114.1S112 K113 I114 I163S112-S116 PolarHBondContact O-N 3.34Å; S112-S116 VanDerWaalsContact O-N 3.08Å; S112-S116 PolarHBondContact O-OG 3.39Å; K113-S116 WeakPolarHBondContact CA-OG 3.03Å; K113-S116 PolarHBondContact O-N 2.91Å; K113-S116 PolarHBondContact O-OG 3.01Å; I114-S116 VanDerWaalsContact C-N 3.25Å; I114-S116 PolarHBondContact O-N 3.38Å; S116-I163 VanDerWaalsContact CB-CD1 3.46Å
117D78.6Confident84.9Confident119 Ų11980.1 Ų80.164%0.63641%0.412SS*.Hα-helixtrans-75.7-34.3178.3-67-10.4000110.8K113 I114K113-D117 VanDerWaalsContact O-CG 3.28Å; K113-D117 PolarHBondContact O-N 2.94Å; I114-D117 PolarHBondContact O-N 3.08Å
118Q78.8Confident84.9Confident131 Ų13180.4 Ų80.461%0.61241%0.414SS*.Hα-helixtrans-78.4-35.3178.4-74.1-175.1-2400113.5I114I114-Q118 HydrophobicContact CG2-CG 4.17Å; I114-Q118 WeakPolarHBondContact O-CB 3.24Å; I114-Q118 WeakPolarHBondContact O-CG 3.48Å; I114-Q118 PolarHBondContact O-N 3.14Å
119Y81.5Confident84.9Confident134 Ų13481.3 Ų81.353%0.52541%0.411SS..SBendtrans-124130.1-174.3-60.3-82.3000110.4L115 V121L115-Y119 HydrophobicContact CD2-CD2 4.33Å; L115-Y119 HydrophobicContact CD2-CE2 4.21Å; L115-Y119 WeakPolarHBondContact O-CB 3.35Å; L115-Y119 WeakPolarHBondContact O-CD2 3.37Å; L115-Y119 PolarHBondContact O-N 3.22Å; Y119-V121 VanDerWaalsContact C-N 3.3Å; Y119-V121 WeakPolarHBondContact O-CG2 3.39Å; Y119-V121 PolarHBondContact O-N 3.47Å
120D82.2Confident85Confident97 Ų9785.2 Ų85.252%0.51943%0.427SS..  trans-62.896.9166.1178.5-12.6000108.6Q122 K123 V124D120-Q122 PolarHBondContact O-N 2.84Å; D120-Q122 WeakPolarHBondContact OD1-CA 3.5Å; D120-Q122 VanDerWaalsContact OD1-CB 3.3Å; D120-Q122 WeakPolarHBondContact OD1-CB 3.36Å; D120-Q122 PolarHBondContact OD1-N 3.32Å; D120-K123 HydrophobicContact CB-CB 3.75Å; D120-K123 WeakPolarHBondContact O-CA 3.25Å; D120-K123 WeakPolarHBondContact O-CB 3.26Å; D120-K123 PolarHBondContact O-N 2.57Å; D120-K123 PolarHBondContact OD1-N 3.09Å; D120-V124 PolarHBondContact O-N 2.92Å
121V77.6Confident85.3Confident43 Ų4388.6 Ų88.626%0.26144%0.444SS..Hα-helixtrans-58.1-34.5-177.3179.60000110.5Y119 V124 Q125 I163Y119-V121 VanDerWaalsContact C-N 3.3Å; Y119-V121 WeakPolarHBondContact O-CG2 3.39Å; Y119-V121 PolarHBondContact O-N 3.47Å; V121-V124 PolarHBondContact O-N 2.84Å; V121-Q125 HydrophobicContact CG1-CG 4.29Å; V121-Q125 VanDerWaalsContact O-CB 3.27Å; V121-Q125 WeakPolarHBondContact O-CB 3.48Å; V121-Q125 WeakPolarHBondContact O-CG 3.25Å; V121-Q125 PolarHBondContact O-N 3.13Å; V121-I163 HydrophobicContact CB-CD1 4.31Å; V121-I163 HydrophobicContact CG1-CD1 4.27Å; V121-I163 HydrophobicContact CG2-CD1 3.73Å
122Q80.1Confident85.6Confident125 Ų12584.2 Ų84.258%0.58442%0.421SS*.Hα-helixtrans-68.3-39.1176.8-57.3-173.42.400111.2D120 Q125 K126D120-Q122 PolarHBondContact O-N 2.84Å; D120-Q122 WeakPolarHBondContact OD1-CA 3.5Å; D120-Q122 VanDerWaalsContact OD1-CB 3.3Å; D120-Q122 WeakPolarHBondContact OD1-CB 3.36Å; D120-Q122 PolarHBondContact OD1-N 3.32Å; Q122-Q125 PolarHBondContact O-N 3.27Å; Q122-K126 WeakPolarHBondContact O-CB 3.36Å; Q122-K126 VanDerWaalsContact O-CG 3.25Å; Q122-K126 WeakPolarHBondContact O-CG 3.35Å; Q122-K126 PolarHBondContact O-N 2.88Å
123K85.2Confident86Confident149 Ų14985.9 Ų85.965%0.64842%0.421SS*.Hα-helixtrans-63.6-44.3174.3-171.5177.9-178.7178.90111.5D120 K126 A127D120-K123 HydrophobicContact CB-CB 3.75Å; D120-K123 WeakPolarHBondContact O-CA 3.25Å; D120-K123 WeakPolarHBondContact O-CB 3.26Å; D120-K123 PolarHBondContact O-N 2.57Å; D120-K123 PolarHBondContact OD1-N 3.09Å; K123-K126 PolarHBondContact O-N 2.89Å; K123-A127 WeakPolarHBondContact O-CB 3.21Å; K123-A127 PolarHBondContact O-N 3.03Å
124V85.5Confident86.6Confident83 Ų8388.8 Ų88.850%0.50344%0.437SS..Hα-helixtrans-63.3-45.1176.6176.70000111D120 V121 A127 F128D120-V124 PolarHBondContact O-N 2.92Å; V121-V124 PolarHBondContact O-N 2.84Å; V124-A127 PolarHBondContact O-N 3.17Å; V124-F128 WeakPolarHBondContact O-CB 3.37Å; V124-F128 PolarHBondContact O-N 3.2Å
125Q87.1Confident87Confident20 Ų2088.7 Ų88.79%0.09344%0.438CS..Hα-helixtrans-59.7-47.1175.9-78.9171.9-24.700111.8V121 Q122 A127 F128 K129 I157 M158 N160V121-Q125 HydrophobicContact CG1-CG 4.29Å; V121-Q125 VanDerWaalsContact O-CB 3.27Å; V121-Q125 WeakPolarHBondContact O-CB 3.48Å; V121-Q125 WeakPolarHBondContact O-CG 3.25Å; V121-Q125 PolarHBondContact O-N 3.13Å; Q122-Q125 PolarHBondContact O-N 3.27Å; Q125-A127 PolarHBondContact O-N 2.69Å; Q125-F128 PolarHBondContact O-N 3.17Å; Q125-K129 PolarHBondContact O-N 2.96Å; Q125-I157 HydrophobicContact CG-CG2 4.35Å; Q125-I157 PolarHBondContact NE2-O 3.21Å; Q125-M158 VanDerWaalsContact C-SD 3.55Å; Q125-M158 HydrophobicContact CB-CE 4.18Å; Q125-M158 HydrophobicContact CB-SD 3.72Å; Q125-N160 PolarHBondContact NE2-O 3.18Å
126K89.6Confident87.6Confident129 Ų12985.9 Ų85.956%0.56142%0.424SS*.Hα-helixtrans-60.1-44.8176-76.7172.9-176.8173.20111.9Q122 K123 F128 K129 M130Q122-K126 WeakPolarHBondContact O-CB 3.36Å; Q122-K126 VanDerWaalsContact O-CG 3.25Å; Q122-K126 WeakPolarHBondContact O-CG 3.35Å; Q122-K126 PolarHBondContact O-N 2.88Å; K123-K126 PolarHBondContact O-N 2.89Å; K126-F128 VanDerWaalsContact C-N 3.34Å; K126-F128 PolarHBondContact O-N 2.9Å; K126-K129 PolarHBondContact O-N 2.95Å; K126-M130 PolarHBondContact O-N 2.81Å
127A91.5Very high88.2Confident59 Ų5989 Ų8949%0.48845%0.446SS..Hα-helixtrans-61.2-42.8176.300000111.7K123 V124 Q125 K129 M130 F131K123-A127 WeakPolarHBondContact O-CB 3.21Å; K123-A127 PolarHBondContact O-N 3.03Å; V124-A127 PolarHBondContact O-N 3.17Å; Q125-A127 PolarHBondContact O-N 2.69Å; A127-K129 PolarHBondContact O-N 2.96Å; A127-M130 PolarHBondContact O-N 2.96Å; A127-F131 PolarHBondContact O-N 2.91Å
128F92.8Very high88.9Confident73 Ų7391.6 Ų91.632%0.3245%0.452SS..Hα-helixtrans-63.8-39.1176-175.8-98.1000112.6V124 Q125 K126 F131 T132 T154 I157V124-F128 WeakPolarHBondContact O-CB 3.37Å; V124-F128 PolarHBondContact O-N 3.2Å; Q125-F128 PolarHBondContact O-N 3.17Å; K126-F128 VanDerWaalsContact C-N 3.34Å; K126-F128 PolarHBondContact O-N 2.9Å; F128-F131 PolarHBondContact O-N 3.07Å; F128-T132 WeakPolarHBondContact O-CB 3.37Å; F128-T132 PolarHBondContact O-N 3.45Å; F128-T132 PolarHBondContact O-OG1 3.04Å; F128-T154 HydrophobicContact CD1-CG2 4.06Å; F128-T154 HydrophobicContact CE1-CG2 4.05Å; F128-T154 WeakPolarHBondContact CE1-OG1 3.33Å; F128-I157 HydrophobicContact CD1-CD1 4.1Å; F128-I157 HydrophobicContact CD1-CG2 4.23Å; F128-I157 HydrophobicContact CE1-CD1 3.45Å; F128-I157 VanDerWaalsContact CE1-CD1 3.45Å; F128-I157 HydrophobicContact CZ-CD1 3.76Å
129K92.8Very high89.4Confident87 Ų8787.4 Ų87.438%0.37843%0.433SS..Hα-helixtrans-62.9-49174.7-173.7-179.3177-172.70111.5Q125 K126 A127 F131 T132 E133 T154 M158Q125-K129 PolarHBondContact O-N 2.96Å; K126-K129 PolarHBondContact O-N 2.95Å; A127-K129 PolarHBondContact O-N 2.96Å; K129-F131 VanDerWaalsContact C-N 3.33Å; K129-F131 PolarHBondContact O-N 2.84Å; K129-T132 WeakPolarHBondContact O-CB 3.31Å; K129-T132 PolarHBondContact O-N 2.71Å; K129-T132 VanDerWaalsContact O-N 3.13Å; K129-E133 WeakPolarHBondContact CE-OE1 3.45Å; K129-E133 WeakPolarHBondContact O-CG 3.42Å; K129-E133 PolarHBondContact O-N 2.93Å; K129-T154 HydrophobicContact CB-CG2 4.31Å; K129-T154 HydrophobicContact CG-CG2 4.31Å; K129-M158 HydrophobicContact CB-CG 4.43Å; K129-M158 HydrophobicContact CB-SD 3.77Å; K129-M158 HydrophobicContact CD-CE 4.16Å; K129-M158 HydrophobicContact CD-CG 4.38Å; K129-M158 HydrophobicContact CD-SD 4.24Å; K129-M158 HydrophobicContact CG-SD 4.45Å
130M94Very high89.8Confident125 Ų12584 Ų8462%0.61643%0.427SS*.Hα-helixtrans-56.2-47.6175.2-85.2-179.565.500111.7K126 A127 T132 E133 I134K126-M130 PolarHBondContact O-N 2.81Å; A127-M130 PolarHBondContact O-N 2.96Å; M130-T132 VanDerWaalsContact C-N 3.3Å; M130-T132 PolarHBondContact O-N 3.42Å; M130-E133 PolarHBondContact O-N 3.22Å; M130-I134 WeakPolarHBondContact O-CG1 3.39Å; M130-I134 PolarHBondContact O-N 2.98Å; M130-I134 VanDerWaalsContact O-N 3.12Å
131F95Very high90Very high129 Ų12988.4 Ų88.457%0.56644%0.442SS*.Hα-helixtrans-60.1-42.2177.2-177.8-98.5000111.9A127 F128 K129 E133 I134 V135A127-F131 PolarHBondContact O-N 2.91Å; F128-F131 PolarHBondContact O-N 3.07Å; K129-F131 VanDerWaalsContact C-N 3.33Å; K129-F131 PolarHBondContact O-N 2.84Å; F131-E133 PolarHBondContact O-N 3.28Å; F131-I134 PolarHBondContact O-N 3.19Å; F131-V135 HydrophobicContact CD1-CG2 4.15Å; F131-V135 HydrophobicContact CE1-CG2 3.69Å; F131-V135 HydrophobicContact CZ-CG2 3.91Å; F131-V135 WeakPolarHBondContact O-CG2 3.48Å; F131-V135 PolarHBondContact O-N 3.24Å
132T94Very high90.5Very high5 Ų596.9 Ų96.93%0.03147%0.469CS..Hα-helixtrans-59.2-46176-59.40000111.6F128 K129 M130 I134 V135 L136 L150 T154F128-T132 WeakPolarHBondContact O-CB 3.37Å; F128-T132 PolarHBondContact O-N 3.45Å; F128-T132 PolarHBondContact O-OG1 3.04Å; K129-T132 WeakPolarHBondContact O-CB 3.31Å; K129-T132 PolarHBondContact O-N 2.71Å; K129-T132 VanDerWaalsContact O-N 3.13Å; M130-T132 VanDerWaalsContact C-N 3.3Å; M130-T132 PolarHBondContact O-N 3.42Å; T132-I134 VanDerWaalsContact C-N 3.28Å; T132-I134 PolarHBondContact O-N 2.97Å; T132-V135 PolarHBondContact O-N 3.34Å; T132-V135 VanDerWaalsContact O-N 3.14Å; T132-L136 HydrophobicContact CG2-CD1 3.8Å; T132-L136 HydrophobicContact CG2-CG 4.06Å; T132-L136 WeakPolarHBondContact O-CB 3.49Å; T132-L136 WeakPolarHBondContact O-CG 3.4Å; T132-L136 PolarHBondContact O-N 3.26Å; T132-L150 HydrophobicContact CG2-CD2 4.14Å; T132-L150 HydrophobicContact CG2-CG 3.89Å; T132-T154 HydrophobicContact CG2-CG2 4.02Å; T132-T154 WeakPolarHBondContact CG2-OG1 3.5Å; T132-T154 WeakPolarHBondContact OG1-CG2 3.19Å; T132-T154 PolarHBondContact OG1-OG1 2.78Å
133E93.9Very high90.9Very high102 Ų10293.1 Ų93.148%0.47745%0.453SS..Hα-helixtrans-60.7-39.5-179.7-73169.8178.100111.4K129 M130 F131 L136 S137K129-E133 WeakPolarHBondContact CE-OE1 3.45Å; K129-E133 WeakPolarHBondContact O-CG 3.42Å; K129-E133 PolarHBondContact O-N 2.93Å; M130-E133 PolarHBondContact O-N 3.22Å; F131-E133 PolarHBondContact O-N 3.28Å; E133-L136 PolarHBondContact O-N 3.18Å; E133-S137 PolarHBondContact O-N 3.06Å
134I94.6Very high91Very high87 Ų8794.2 Ų94.245%0.44646%0.458SS..Hα-helixtrans-62.5-45.6173.1-64.5166.9000111.2M130 F131 T132 L136 S137 K138M130-I134 WeakPolarHBondContact O-CG1 3.39Å; M130-I134 PolarHBondContact O-N 2.98Å; M130-I134 VanDerWaalsContact O-N 3.12Å; F131-I134 PolarHBondContact O-N 3.19Å; T132-I134 VanDerWaalsContact C-N 3.28Å; T132-I134 PolarHBondContact O-N 2.97Å; I134-L136 PolarHBondContact O-N 3.46Å; I134-S137 PolarHBondContact O-N 2.68Å; I134-S137 PolarHBondContact O-OG 3.18Å; I134-K138 WeakPolarHBondContact O-CG 3.43Å; I134-K138 PolarHBondContact O-N 3.43Å
135V93Very high91.3Very high47 Ų4798.4 Ų98.429%0.28547%0.469SS..Hα-helixtrans-64.7-41.7178.1173.70000111.1F131 T132 S137 K138 L139 L150F131-V135 HydrophobicContact CD1-CG2 4.15Å; F131-V135 HydrophobicContact CE1-CG2 3.69Å; F131-V135 HydrophobicContact CZ-CG2 3.91Å; F131-V135 WeakPolarHBondContact O-CG2 3.48Å; F131-V135 PolarHBondContact O-N 3.24Å; T132-V135 PolarHBondContact O-N 3.34Å; T132-V135 VanDerWaalsContact O-N 3.14Å; V135-S137 VanDerWaalsContact C-N 3.33Å; V135-S137 PolarHBondContact O-N 3.17Å; V135-K138 PolarHBondContact O-N 2.94Å; V135-L139 HydrophobicContact CG1-CD1 3.99Å; V135-L139 HydrophobicContact CG1-CG 4.32Å; V135-L139 WeakPolarHBondContact O-CG 3.47Å; V135-L139 PolarHBondContact O-N 2.9Å; V135-L150 HydrophobicContact CB-CD2 4.29Å; V135-L150 HydrophobicContact CG1-CD2 3.76Å
136L92.3Very high91.3Very high36 Ų36106 Ų10619%0.18850%0.497CS..Hα-helixtrans-64.9-35.3179.1-73.9176000112.5T132 E133 I134 L139 K147 L150T132-L136 HydrophobicContact CG2-CD1 3.8Å; T132-L136 HydrophobicContact CG2-CG 4.06Å; T132-L136 WeakPolarHBondContact O-CB 3.49Å; T132-L136 WeakPolarHBondContact O-CG 3.4Å; T132-L136 PolarHBondContact O-N 3.26Å; E133-L136 PolarHBondContact O-N 3.18Å; I134-L136 PolarHBondContact O-N 3.46Å; L136-L139 HydrophobicContact CD2-CD1 4.44Å; L136-K147 HydrophobicContact CD2-CB 3.82Å; L136-K147 HydrophobicContact CD2-CG 3.98Å; L136-K147 WeakPolarHBondContact O-CE 3.44Å; L136-K147 PolarHBondContact O-NZ 3.01Å; L136-L150 HydrophobicContact CD2-CB 4.28Å; L136-L150 HydrophobicContact CD2-CD2 4.06Å; L136-L150 HydrophobicContact CD2-CG 4.45Å; L136-L150 HydrophobicContact CG-CD2 4.27Å
137S91.7Very high91.4Very high90 Ų90102.5 Ų102.563%0.62948%0.482SS*.Hα-helixtrans-68.6-36.3176.774.80000111.8E133 I134 V135E133-S137 PolarHBondContact O-N 3.06Å; I134-S137 PolarHBondContact O-N 2.68Å; I134-S137 PolarHBondContact O-OG 3.18Å; V135-S137 VanDerWaalsContact C-N 3.33Å; V135-S137 PolarHBondContact O-N 3.17Å
138K93.2Very high91.3Very high173 Ų173102 Ų10275%0.75248%0.475SS*.Hα-helixtrans-81.6-21.4179.4-65.2-166.6178.7-169.80114.7I134 V135I134-K138 WeakPolarHBondContact O-CG 3.43Å; I134-K138 PolarHBondContact O-N 3.43Å; V135-K138 PolarHBondContact O-N 2.94Å
139L89.7Confident91.3Very high42 Ų42102.5 Ų102.522%0.2248%0.481CS..SBendtrans-66.5136.6-179.5-86.8167.6000112.1V135 L136 K147 L150V135-L139 HydrophobicContact CG1-CD1 3.99Å; V135-L139 HydrophobicContact CG1-CG 4.32Å; V135-L139 WeakPolarHBondContact O-CG 3.47Å; V135-L139 PolarHBondContact O-N 2.9Å; L136-L139 HydrophobicContact CD2-CD1 4.44Å; L139-K147 HydrophobicContact CB-CD 4.39Å; L139-K147 VanDerWaalsContact CB-CE 3.49Å; L139-K147 HydrophobicContact CB-CG 4.09Å; L139-K147 HydrophobicContact CD1-CG 4.16Å; L139-K147 WeakPolarHBondContact O-CE 3.46Å; L139-K147 PolarHBondContact O-NZ 3.32Å; L139-L150 HydrophobicContact CD1-CD2 4.48Å
140P90.3Very high91.2Very high63 Ų63100.7 Ų100.741%0.40948%0.475SS..  trans-59.8144.1178-25.233.7000113.2R142 N143P140-R142 HydrophobicContact CB-CG 4.06Å; P140-R142 PolarHBondContact O-N 3.41Å; P140-R142 VanDerWaalsContact O-N 3.15Å; P140-N143 WeakPolarHBondContact O-CB 3.4Å; P140-N143 PolarHBondContact O-N 2.91Å
141K85.2Confident91Very high190 Ų19096.9 Ų96.983%0.82646%0.461SS*.THydrogen-bonded Turntrans-57.5-30.7-179.6-69.6-175.2-178.7177.20113.5N143 K144K141-N143 PolarHBondContact O-N 3.35Å; K141-K144 WeakPolarHBondContact O-CG 3.38Å
142R89.2Confident90.8Very high221 Ų22197.2 Ų97.283%0.83446%0.462SS*.THydrogen-bonded Turntrans-62.4-22.1176.466-178.5-179.1125.1-3113.9P140 K144P140-R142 HydrophobicContact CB-CG 4.06Å; P140-R142 PolarHBondContact O-N 3.41Å; P140-R142 VanDerWaalsContact O-N 3.15Å; R142-K144 PolarHBondContact O-N 3.08Å; R142-K144 VanDerWaalsContact O-N 3.09Å
143N88.9Confident90.6Very high45 Ų45105.6 Ų105.624%0.24149%0.493CS..  trans-86.641.5-178.3-72-9.7000113.2P140 K141 K145 R146 K147P140-N143 WeakPolarHBondContact O-CB 3.4Å; P140-N143 PolarHBondContact O-N 2.91Å; K141-N143 PolarHBondContact O-N 3.35Å; N143-K145 VanDerWaalsContact C-N 3.32Å; N143-K145 PolarHBondContact O-N 2.95Å; N143-R146 HydrophobicContact CB-CB 4.28Å; N143-R146 PolarHBondContact O-N 2.85Å; N143-R146 VanDerWaalsContact O-N 3.12Å; N143-K147 PolarHBondContact O-N 2.94Å
144K87.3Confident90.4Very high173 Ų173100.9 Ų100.975%0.75247%0.471SS*.Hα-helixtrans-51-46.4-175.7-73.3-173.4179.9176.60113.1K141 R142 R146 K147 S148K141-K144 WeakPolarHBondContact O-CG 3.38Å; R142-K144 PolarHBondContact O-N 3.08Å; R142-K144 VanDerWaalsContact O-N 3.09Å; K144-R146 PolarHBondContact O-N 3.41Å; K144-K147 PolarHBondContact O-N 2.82Å; K144-S148 WeakPolarHBondContact O-CB 3.34Å; K144-S148 PolarHBondContact O-N 3.4Å
145K90.8Very high90.1Very high170 Ų170101.1 Ų101.174%0.73947%0.474SS*.Hα-helixtrans-61.6-43.9-179.8-171173.2-177.9175.50112.4N143 S148 N149N143-K145 VanDerWaalsContact C-N 3.32Å; N143-K145 PolarHBondContact O-N 2.95Å; K145-S148 PolarHBondContact O-N 3.4Å; K145-N149 WeakPolarHBondContact O-CB 3.37Å; K145-N149 VanDerWaalsContact O-CG 3.29Å; K145-N149 PolarHBondContact O-N 2.92Å
146R87.9Confident89.8Confident180 Ų180102 Ų10268%0.67948%0.482SS*.Hα-helixtrans-64.2-43.6177.1-95.9-177.8157146.6-4.9111.9N143 K144 N149 L150N143-R146 HydrophobicContact CB-CB 4.28Å; N143-R146 PolarHBondContact O-N 2.85Å; N143-R146 VanDerWaalsContact O-N 3.12Å; K144-R146 PolarHBondContact O-N 3.41Å; R146-N149 PolarHBondContact O-N 3.39Å; R146-L150 WeakPolarHBondContact O-CB 3.39Å; R146-L150 PolarHBondContact O-N 3.11Å
147K90.8Very high89.4Confident55 Ų55103.1 Ų103.124%0.23949%0.487CS..Hα-helixtrans-59.9-47.4175-69.8-163.7-175.7-151.10111.7L136 L139 N143 K144 N149 L150 S151L136-K147 HydrophobicContact CD2-CB 3.82Å; L136-K147 HydrophobicContact CD2-CG 3.98Å; L136-K147 WeakPolarHBondContact O-CE 3.44Å; L136-K147 PolarHBondContact O-NZ 3.01Å; L139-K147 HydrophobicContact CB-CD 4.39Å; L139-K147 VanDerWaalsContact CB-CE 3.49Å; L139-K147 HydrophobicContact CB-CG 4.09Å; L139-K147 HydrophobicContact CD1-CG 4.16Å; L139-K147 WeakPolarHBondContact O-CE 3.46Å; L139-K147 PolarHBondContact O-NZ 3.32Å; N143-K147 PolarHBondContact O-N 2.94Å; K144-K147 PolarHBondContact O-N 2.82Å; K147-N149 PolarHBondContact O-N 3.11Å; K147-L150 PolarHBondContact O-N 2.63Å; K147-S151 WeakPolarHBondContact O-CB 3.5Å; K147-S151 PolarHBondContact O-N 2.89Å
148S90.5Very high88.9Confident49 Ų49101.3 Ų101.334%0.34347%0.47SS..Hα-helixtrans-57.8-49.3177.4175.30000112K144 K145 L150 S151 K152K144-S148 WeakPolarHBondContact O-CB 3.34Å; K144-S148 PolarHBondContact O-N 3.4Å; K145-S148 PolarHBondContact O-N 3.4Å; S148-L150 PolarHBondContact O-N 3.3Å; S148-S151 PolarHBondContact O-N 2.85Å; S148-K152 WeakPolarHBondContact O-CB 3.38Å; S148-K152 WeakPolarHBondContact O-CG 3.21Å; S148-K152 PolarHBondContact O-N 3.09Å
149N92.6Very high88.2Confident84 Ų8496.9 Ų96.945%0.44946%0.46SS..Hα-helixtrans-63.6-42.7-179-72.3-6.4000112.3K145 R146 K147 K152 R153K145-N149 WeakPolarHBondContact O-CB 3.37Å; K145-N149 VanDerWaalsContact O-CG 3.29Å; K145-N149 PolarHBondContact O-N 2.92Å; R146-N149 PolarHBondContact O-N 3.39Å; K147-N149 PolarHBondContact O-N 3.11Å; N149-K152 PolarHBondContact O-N 3.22Å; N149-R153 WeakPolarHBondContact O-CB 3.29Å; N149-R153 PolarHBondContact O-N 3.37Å
150L89.3Confident87.1Confident48 Ų48100.5 Ų100.525%0.25148%0.48SS..Hα-helixtrans-64.8-45.6178.4-176.461.9000111.1T132 V135 L136 L139 R146 K147 S148 K152 R153 T154T132-L150 HydrophobicContact CG2-CD2 4.14Å; T132-L150 HydrophobicContact CG2-CG 3.89Å; V135-L150 HydrophobicContact CB-CD2 4.29Å; V135-L150 HydrophobicContact CG1-CD2 3.76Å; L136-L150 HydrophobicContact CD2-CB 4.28Å; L136-L150 HydrophobicContact CD2-CD2 4.06Å; L136-L150 HydrophobicContact CD2-CG 4.45Å; L136-L150 HydrophobicContact CG-CD2 4.27Å; L139-L150 HydrophobicContact CD1-CD2 4.48Å; R146-L150 WeakPolarHBondContact O-CB 3.39Å; R146-L150 PolarHBondContact O-N 3.11Å; K147-L150 PolarHBondContact O-N 2.63Å; S148-L150 PolarHBondContact O-N 3.3Å; L150-K152 PolarHBondContact O-N 2.74Å; L150-R153 PolarHBondContact O-N 3.03Å; L150-T154 PolarHBondContact O-N 2.95Å; L150-T154 PolarHBondContact O-OG1 3.01Å; L150-T154 VanDerWaalsContact O-OG1 3.1Å
151S90Very high85.5Confident46 Ų46101.5 Ų101.532%0.32249%0.488SS..Hα-helixtrans-58.8-44.8175.1174.40000112.3K147 S148 R153 T154 N155K147-S151 WeakPolarHBondContact O-CB 3.5Å; K147-S151 PolarHBondContact O-N 2.89Å; S148-S151 PolarHBondContact O-N 2.85Å; S151-R153 PolarHBondContact O-N 3.32Å; S151-T154 PolarHBondContact O-N 2.66Å; S151-N155 VanDerWaalsContact O-CG 3.3Å; S151-N155 PolarHBondContact O-N 2.87Å; S151-N155 PolarHBondContact O-ND2 2.99Å
152K92.3Very high84Confident136 Ų13697 Ų9759%0.59148%0.48SS*.Hα-helixtrans-59.4-44.8175.6-75176.3-179.7-179.20112.1S148 N149 L150 N155 S156S148-K152 WeakPolarHBondContact O-CB 3.38Å; S148-K152 WeakPolarHBondContact O-CG 3.21Å; S148-K152 PolarHBondContact O-N 3.09Å; N149-K152 PolarHBondContact O-N 3.22Å; L150-K152 PolarHBondContact O-N 2.74Å; K152-N155 PolarHBondContact O-N 2.73Å; K152-S156 PolarHBondContact O-N 3.01Å
153R89.1Confident82.5Confident180 Ų18090.1 Ų90.168%0.67946%0.46SS*.Hα-helixtrans-64-42.8179.3-169.8173-178170.70.3111.5N149 L150 S151 S156 I157N149-R153 WeakPolarHBondContact O-CB 3.29Å; N149-R153 PolarHBondContact O-N 3.37Å; L150-R153 PolarHBondContact O-N 3.03Å; S151-R153 PolarHBondContact O-N 3.32Å; R153-S156 WeakPolarHBondContact O-CB 3.38Å; R153-S156 PolarHBondContact O-N 3.18Å; R153-I157 HydrophobicContact CG-CD1 4.27Å; R153-I157 WeakPolarHBondContact O-CG1 3.28Å; R153-I157 PolarHBondContact O-N 3.08Å
154T89.5Confident81.2Confident4 Ų494.5 Ų94.53%0.02548%0.476CS..Hα-helixtrans-63.9-44.3176.5-58.60000111.4F128 K129 T132 L150 S151 S156 I157 M158F128-T154 HydrophobicContact CD1-CG2 4.06Å; F128-T154 HydrophobicContact CE1-CG2 4.05Å; F128-T154 WeakPolarHBondContact CE1-OG1 3.33Å; K129-T154 HydrophobicContact CB-CG2 4.31Å; K129-T154 HydrophobicContact CG-CG2 4.31Å; T132-T154 HydrophobicContact CG2-CG2 4.02Å; T132-T154 WeakPolarHBondContact CG2-OG1 3.5Å; T132-T154 WeakPolarHBondContact OG1-CG2 3.19Å; T132-T154 PolarHBondContact OG1-OG1 2.78Å; L150-T154 PolarHBondContact O-N 2.95Å; L150-T154 PolarHBondContact O-OG1 3.01Å; L150-T154 VanDerWaalsContact O-OG1 3.1Å; S151-T154 PolarHBondContact O-N 2.66Å; T154-S156 VanDerWaalsContact C-N 3.29Å; T154-S156 PolarHBondContact O-N 2.91Å; T154-I157 PolarHBondContact O-N 2.78Å; T154-M158 HydrophobicContact CG2-CG 4.41Å; T154-M158 VanDerWaalsContact O-CG 3.26Å; T154-M158 WeakPolarHBondContact O-CG 3.39Å; T154-M158 PolarHBondContact O-N 2.78Å
155N89Confident80.1Confident92 Ų9290.2 Ų90.249%0.49247%0.468SS..Hα-helixtrans-60.5-39.4175.8-70.5-16.5000112.1S151 K152 M158 S159S151-N155 VanDerWaalsContact O-CG 3.3Å; S151-N155 PolarHBondContact O-N 2.87Å; S151-N155 PolarHBondContact O-ND2 2.99Å; K152-N155 PolarHBondContact O-N 2.73Å; N155-M158 PolarHBondContact O-N 2.94Å; N155-S159 WeakPolarHBondContact O-CB 3.28Å; N155-S159 PolarHBondContact O-N 2.74Å; N155-S159 PolarHBondContact O-OG 3.34Å
156S87.2Confident79.4Confident66 Ų6683.5 Ų83.546%0.46244%0.442SS..Hα-helixtrans-62.1-45.2174.7172.80000112.3K152 R153 T154 M158 S159 N160K152-S156 PolarHBondContact O-N 3.01Å; R153-S156 WeakPolarHBondContact O-CB 3.38Å; R153-S156 PolarHBondContact O-N 3.18Å; T154-S156 VanDerWaalsContact C-N 3.29Å; T154-S156 PolarHBondContact O-N 2.91Å; S156-M158 VanDerWaalsContact C-N 3.33Å; S156-M158 PolarHBondContact O-N 3.05Å; S156-S159 WeakPolarHBondContact CA-OG 3.39Å; S156-S159 PolarHBondContact O-N 2.85Å; S156-S159 PolarHBondContact O-OG 3.46Å; S156-N160 PolarHBondContact O-N 2.76Å; S156-N160 VanDerWaalsContact O-N 3.13Å
157I82.7Confident78.9Confident58 Ų5880.9 Ų80.930%0.29743%0.432SS..Hα-helixtrans-62.5-40.9176.1-69.2164.3000111.1Q125 F128 R153 T154 S159 N160Q125-I157 HydrophobicContact CG-CG2 4.35Å; Q125-I157 PolarHBondContact NE2-O 3.21Å; F128-I157 HydrophobicContact CD1-CD1 4.1Å; F128-I157 HydrophobicContact CD1-CG2 4.23Å; F128-I157 HydrophobicContact CE1-CD1 3.45Å; F128-I157 VanDerWaalsContact CE1-CD1 3.45Å; F128-I157 HydrophobicContact CZ-CD1 3.76Å; R153-I157 HydrophobicContact CG-CD1 4.27Å; R153-I157 WeakPolarHBondContact O-CG1 3.28Å; R153-I157 PolarHBondContact O-N 3.08Å; T154-I157 PolarHBondContact O-N 2.78Å; I157-S159 VanDerWaalsContact C-N 3.34Å; I157-N160 PolarHBondContact O-N 3.26Å
158M81.9Confident78.4Confident53 Ų5379.9 Ų79.926%0.26143%0.432SS..Hα-helixtrans-66.6-33.6176.8-67.8-59-5800112.8Q125 K129 T154 N155 S156Q125-M158 VanDerWaalsContact C-SD 3.55Å; Q125-M158 HydrophobicContact CB-CE 4.18Å; Q125-M158 HydrophobicContact CB-SD 3.72Å; K129-M158 HydrophobicContact CB-CG 4.43Å; K129-M158 HydrophobicContact CB-SD 3.77Å; K129-M158 HydrophobicContact CD-CE 4.16Å; K129-M158 HydrophobicContact CD-CG 4.38Å; K129-M158 HydrophobicContact CD-SD 4.24Å; K129-M158 HydrophobicContact CG-SD 4.45Å; T154-M158 HydrophobicContact CG2-CG 4.41Å; T154-M158 VanDerWaalsContact O-CG 3.26Å; T154-M158 WeakPolarHBondContact O-CG 3.39Å; T154-M158 PolarHBondContact O-N 2.78Å; N155-M158 PolarHBondContact O-N 2.94Å; S156-M158 VanDerWaalsContact C-N 3.33Å; S156-M158 PolarHBondContact O-N 3.05Å
159S77.4Confident77.7Confident79 Ų7981.7 Ų81.755%0.55244%0.441SS*.Hα-helixtrans-79.4-18.3178.9600000113.8N155 S156 I157 S161N155-S159 WeakPolarHBondContact O-CB 3.28Å; N155-S159 PolarHBondContact O-N 2.74Å; N155-S159 PolarHBondContact O-OG 3.34Å; S156-S159 WeakPolarHBondContact CA-OG 3.39Å; S156-S159 PolarHBondContact O-N 2.85Å; S156-S159 PolarHBondContact O-OG 3.46Å; I157-S159 VanDerWaalsContact C-N 3.34Å; S159-S161 PolarHBondContact O-N 3.36Å
160N67.9Low76.7Confident119 Ų11979.5 Ų79.564%0.63643%0.426SS*.  trans-78.570.9175.2-105.40.4000110Q125 S156 I157Q125-N160 PolarHBondContact NE2-O 3.18Å; S156-N160 PolarHBondContact O-N 2.76Å; S156-N160 VanDerWaalsContact O-N 3.13Å; I157-N160 PolarHBondContact O-N 3.26Å
161S56.4Low75.5Confident83 Ų8379.6 Ų79.658%0.5843%0.431SS*.  trans-93.5-2176.560.50000113.2S159 I163S159-S161 PolarHBondContact O-N 3.36Å; S161-I163 VanDerWaalsContact C-N 3.26Å; S161-I163 PolarHBondContact O-N 3.43Å
162S54Low74Confident95 Ų9586.6 Ų86.666%0.66446%0.455SS*.  trans-81.365.3-169.6-77.30000113.1K164S162-K164 VanDerWaalsContact C-N 3.33Å; S162-K164 PolarHBondContact O-N 2.98Å
163I56.6Low72.3Confident77 Ų7787.3 Ų87.340%0.39545%0.454SS..  trans-88.591142.3-61.7124.5000105.2S116 V121 S161S116-I163 VanDerWaalsContact CB-CD1 3.46Å; V121-I163 HydrophobicContact CB-CD1 4.31Å; V121-I163 HydrophobicContact CG1-CD1 4.27Å; V121-I163 HydrophobicContact CG2-CD1 3.73Å; S161-I163 VanDerWaalsContact C-N 3.26Å; S161-I163 PolarHBondContact O-N 3.43Å
164K61.1Low69.9Low137 Ų13789.7 Ų89.760%0.59648%0.478SS*.  trans-60.8139.4172.9-71.5-175.4176.1-170.60108S162 T166S162-K164 VanDerWaalsContact C-N 3.33Å; S162-K164 PolarHBondContact O-N 2.98Å; K164-T166 PolarHBondContact O-N 3.16Å; K164-T166 VanDerWaalsContact O-N 3.07Å
165S66.1Low68.9Low83 Ų8394 Ų9458%0.5850%0.501SS*.  trans-46.6122.2173.2179.70000109.7K61 R167K61-S165 PolarHBondContact NZ-O 3.29Å; S165-R167 VanDerWaalsContact C-N 3.33Å; S165-R167 PolarHBondContact OG-N 2.93Å; S165-R167 PolarHBondContact OG-O 3.15Å
166T74.7Confident67.8Low30 Ų3094.1 Ų94.118%0.18450%0.501CS..SBendtrans-77.2-26175.1560000110.6M60 K61 E62 K113 K164M60-T166 HydrophobicContact CB-CG2 4.37Å; M60-T166 WeakPolarHBondContact O-CB 3.16Å; K61-T166 CarbonylContact C-O 3.46Å; K61-T166 WeakPolarHBondContact CA-O 3.49Å; K61-T166 WeakPolarHBondContact CD-O 3.34Å; E62-T166 WeakPolarHBondContact CA-O 3.35Å; E62-T166 PolarHBondContact N-O 3.14Å; K113-T166 HydrophobicContact CD-CG2 4.14Å; K113-T166 WeakPolarHBondContact CE-OG1 3.4Å; K164-T166 PolarHBondContact O-N 3.16Å; K164-T166 VanDerWaalsContact O-N 3.07Å
167R77.7Confident66.8Low125 Ų12595.7 Ų95.747%0.47250%0.504SS..EExtended strand (participates in β ladder)trans-92.6132.3179-163.8171.6179.41632.4111E62 E64 S165E62-R167 HydrophobicContact CB-CB 4.38Å; E62-R167 HydrophobicContact CB-CG 4.35Å; E64-R167 IonicContact OE1-CZ 2.91Å; E64-R167 IonicContact OE1-NE 2.76Å; E64-R167 PolarHBondContact OE1-NE 2.79Å; E64-R167 IonicContact OE1-NH2 3.66Å; E64-R167 PolarHBondContact OE1-NH2 3.36Å; E64-R167 IonicContact OE2-CZ 2.73Å; E64-R167 IonicContact OE2-NE 2.81Å; E64-R167 IonicContact OE2-NH2 3.03Å; E64-R167 PolarHBondContact OE2-NH2 2.78Å; S165-R167 VanDerWaalsContact C-N 3.33Å; S165-R167 PolarHBondContact OG-N 2.93Å; S165-R167 PolarHBondContact OG-O 3.15Å
168S79.4Confident65.8Low33 Ų3397.9 Ų97.923%0.23152%0.516CS..EExtended strand (participates in β ladder)trans-143.4147.8171-169.80000108.9E62 L63 E64 H79E62-S168 PolarHBondContact O-N 2.75Å; L63-S168 WeakPolarHBondContact CA-O 3.46Å; E64-S168 PolarHBondContact N-O 3.29Å; H79-S168 PolarHBondContact CE1-OG 2.9Å; H79-S168 WeakPolarHBondContact ND1-CB 3.08Å; H79-S168 PolarHBondContact ND1-OG 3.37Å
169T76.8Confident64.8Low87 Ų87100.7 Ų100.753%0.53453%0.532SS..EExtended strand (participates in β ladder)trans-82.2160.5161.756.30000109.2E64 H79E64-T169 HydrophobicContact CG-CG2 3.99Å; H79-T169 PolarHBondContact CE1-O 2.87Å
170R71Confident64Low39 Ų39102.1 Ų102.115%0.14753%0.53CS..  trans-44.1142.5168161.6173.5162.2165.8-19.4111.5E64 E67 D69 D70 K172E64-R170 PolarHBondContact O-N 2.56Å; E64-R170 VanDerWaalsContact O-N 3.17Å; E67-R170 VanDerWaalsContact CD-NH2 3.31Å; E67-R170 VanDerWaalsContact CG-NH1 3.34Å; E67-R170 IonicContact OE1-CZ 3.93Å; E67-R170 IonicContact OE1-NH1 3.65Å; E67-R170 IonicContact OE1-NH2 2.68Å; E67-R170 IonicContact OE2-CZ 3.18Å; E67-R170 IonicContact OE2-NH1 3.65Å; E67-R170 PolarHBondContact OE2-NH1 3.23Å; E67-R170 IonicContact OE2-NH2 3.55Å; E67-R170 PolarHBondContact OE2-NH2 2.88Å; D69-R170 IonicContact OD1-CZ 3.45Å; D69-R170 IonicContact OD1-NH1 2.74Å; D69-R170 PolarHBondContact OD1-NH1 3.22Å; D69-R170 VanDerWaalsContact OD1-NH1 3.08Å; D69-R170 IonicContact OD1-NH2 3.34Å; D70-R170 WeakPolarHBondContact OD1-CD 3.43Å; D70-R170 IonicContact OD1-CZ 3.92Å; D70-R170 IonicContact OD1-NE 4Å; D70-R170 IonicContact OD1-NH1 3.99Å; D70-R170 PolarHBondContact OD1-NH1 2.9Å; D70-R170 WeakPolarHBondContact OD2-CD 3.16Å; D70-R170 IonicContact OD2-CZ 3.7Å; D70-R170 IonicContact OD2-NH1 3.74Å; D70-R170 PolarHBondContact OD2-NH1 3.31Å; R170-K172 PolarHBondContact O-N 3.47Å
171S65.3Low63.7Low49 Ų49100.9 Ų100.934%0.34352%0.523SS..PPolyproline II helixtrans-71.9121.5167.9-64.90000109.7H79 R173H79-S171 PolarHBondContact CE1-OG 3.23Å; H79-S171 PolarHBondContact NE2-N 3.43Å; H79-S171 PolarHBondContact NE2-OG 3.22Å; S171-R173 PolarHBondContact O-N 2.97Å
172K57.2Low64.3Low193 Ų193102.3 Ų102.384%0.83952%0.518SS*.PPolyproline II helixtrans-61.4120.6171.9-72.5-178.3178.7-178.70108.5R170 I174R170-K172 PolarHBondContact O-N 3.47Å; K172-I174 PolarHBondContact O-N 3.04Å
173R57.5Low65.1Low151 Ų151102.9 Ų102.957%0.5751%0.506SS*.PPolyproline II helixtrans-65.4117.6163.8-87.9-178-141.3147.712.2107.1D69 S171D69-R173 PolarHBondContact O-NH2 3.01Å; D69-R173 IonicContact OD2-CZ 3.57Å; D69-R173 IonicContact OD2-NH1 3.49Å; D69-R173 PolarHBondContact OD2-NH1 2.76Å; D69-R173 IonicContact OD2-NH2 3.06Å; S171-R173 PolarHBondContact O-N 2.97Å
174I38.1Very low65.9Low231 Ų231105.3 Ų105.3100%1.18552%0.516SS*.  trans-83.40168.6-60.5174.3000107.5K172K172-I174 PolarHBondContact O-N 3.04Å

Retrieved 174 of 174 residues in 77.2 ms (Link to these results)

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