G4LZ90_SCHMA Loading...

Retinaldehyde binding protein-related

AlphaFold DB , UniProt , Accession G4LZ90, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 354 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
1M43.5Very low82.9Confident243 Ų24399.5 Ų99.5100%1.19756%0.555SS**  01120-63.9-179-141.400106.4S3M1-S3 PolarHBondContact O-N 3.44Å; M1-S3 VanDerWaalsContact O-N 3.13Å
2A54.1Low84Confident101 Ų10198.9 Ų98.984%0.83555%0.545SS*.  trans-66.2112.9166.600000105.6T4A2-T4 PolarHBondContact O-N 2.89Å; A2-T4 VanDerWaalsContact O-N 3.08Å
3S65.3Low85.1Confident104 Ų10496.8 Ų96.873%0.72753%0.528SS*.PPolyproline II helixtrans-55.8118.4171.451.30000107.1M1 I5M1-S3 PolarHBondContact O-N 3.44Å; M1-S3 VanDerWaalsContact O-N 3.13Å; S3-I5 PolarHBondContact O-N 3.45Å; S3-I5 VanDerWaalsContact O-N 3.09Å
4T84Confident86Confident139 Ų13989.9 Ų89.985%0.85349%0.49SS*.PPolyproline II helixtrans-56.2120174.6-53.10000107.8A2 N6A2-T4 PolarHBondContact O-N 2.89Å; A2-T4 VanDerWaalsContact O-N 3.08Å; T4-N6 PolarHBondContact O-N 3.17Å
5I87.8Confident86.6Confident77 Ų7787.3 Ų87.340%0.39547%0.473SS..PPolyproline II helixtrans-64.3119.3-177.1-61.6179000108.3S3 V7 L10 W46S3-I5 PolarHBondContact O-N 3.45Å; S3-I5 VanDerWaalsContact O-N 3.09Å; I5-V7 HydrophobicContact CG2-CG2 4.41Å; I5-V7 PolarHBondContact O-N 3.27Å; I5-V7 VanDerWaalsContact O-N 3.08Å; I5-L10 HydrophobicContact CG2-CD1 3.59Å; I5-W46 HydrophobicContact CD1-CB 4.05Å; I5-W46 HydrophobicContact CD1-CD2 4.16Å; I5-W46 HydrophobicContact CD1-CG 3.56Å; I5-W46 HydrophobicContact CG2-CB 4.22Å; I5-W46 HydrophobicContact CG2-CD2 3.87Å; I5-W46 HydrophobicContact CG2-CE3 3.97Å; I5-W46 HydrophobicContact CG2-CG 4Å
6N94.8Very high87.2Confident81 Ų8186.8 Ų86.843%0.43347%0.47SS..  trans-81.486.3176.6-171.1-6.1000109.9T4 K8 E9 L10T4-N6 PolarHBondContact O-N 3.17Å; N6-K8 VanDerWaalsContact C-N 3.3Å; N6-K8 PolarHBondContact O-N 2.94Å; N6-E9 HydrophobicContact CB-CB 3.95Å; N6-E9 VanDerWaalsContact CG-CB 3.41Å; N6-E9 VanDerWaalsContact ND2-CB 3.32Å; N6-E9 WeakPolarHBondContact ND2-CB 3.27Å; N6-E9 PolarHBondContact ND2-OE2 3.02Å; N6-E9 PolarHBondContact O-N 2.79Å; N6-E9 PolarHBondContact OD1-N 3.45Å; N6-L10 PolarHBondContact O-N 2.93Å
7V95.5Very high87.7Confident49 Ų4985.3 Ų85.330%0.29746%0.461SS..Hα-helixtrans-57.7-41.6-176178.80000112.1I5 E9 L10 V11 I38 W46I5-V7 HydrophobicContact CG2-CG2 4.41Å; I5-V7 PolarHBondContact O-N 3.27Å; I5-V7 VanDerWaalsContact O-N 3.08Å; V7-E9 PolarHBondContact O-N 3.42Å; V7-L10 PolarHBondContact O-N 3Å; V7-V11 HydrophobicContact CG1-CG2 4.36Å; V7-V11 VanDerWaalsContact O-CG2 3.3Å; V7-V11 WeakPolarHBondContact O-CG2 3.14Å; V7-V11 PolarHBondContact O-N 2.63Å; V7-I38 HydrophobicContact CG1-CD1 3.88Å; V7-I38 HydrophobicContact CG1-CG1 3.87Å; V7-W46 HydrophobicContact CB-CZ3 4.4Å; V7-W46 HydrophobicContact CG1-CH2 4.3Å; V7-W46 HydrophobicContact CG1-CZ3 4.03Å; V7-W46 HydrophobicContact CG2-CH2 3.73Å; V7-W46 HydrophobicContact CG2-CZ3 3.81Å
8K95.3Very high88.1Confident174 Ų17480.6 Ų80.676%0.75744%0.435SS*.Hα-helixtrans-63-43.2-179.7-72.5-175.7175.7-176.50111.8N6 V11 E12N6-K8 VanDerWaalsContact C-N 3.3Å; N6-K8 PolarHBondContact O-N 2.94Å; K8-V11 PolarHBondContact O-N 2.95Å; K8-E12 PolarHBondContact O-N 3.33Å; K8-E12 VanDerWaalsContact O-N 3.08Å
9E97Very high88.4Confident98 Ų9884.5 Ų84.546%0.45845%0.45SS..Hα-helixtrans-65.6-42.9177.4179.2178.8-178.200111.9N6 V7 V11 E12 Q13N6-E9 HydrophobicContact CB-CB 3.95Å; N6-E9 VanDerWaalsContact CG-CB 3.41Å; N6-E9 VanDerWaalsContact ND2-CB 3.32Å; N6-E9 WeakPolarHBondContact ND2-CB 3.27Å; N6-E9 PolarHBondContact ND2-OE2 3.02Å; N6-E9 PolarHBondContact O-N 2.79Å; N6-E9 PolarHBondContact OD1-N 3.45Å; V7-E9 PolarHBondContact O-N 3.42Å; E9-V11 PolarHBondContact O-N 2.93Å; E9-E12 PolarHBondContact O-N 3.29Å; E9-Q13 HydrophobicContact CG-CG 4.49Å; E9-Q13 WeakPolarHBondContact O-CB 3.34Å; E9-Q13 VanDerWaalsContact O-CG 3.32Å; E9-Q13 WeakPolarHBondContact O-CG 3.03Å; E9-Q13 PolarHBondContact O-N 3.39Å; E9-Q13 PolarHBondContact OE1-NE2 3.35Å
10L97.5Very high88.7Confident26 Ų2685.3 Ų85.314%0.13646%0.455CS..Hα-helixtrans-64.4-38.2176.8-72.4176.6000112.8I5 N6 V7 E12 M14 L41 W46 L48I5-L10 HydrophobicContact CG2-CD1 3.59Å; N6-L10 PolarHBondContact O-N 2.93Å; V7-L10 PolarHBondContact O-N 3Å; L10-E12 VanDerWaalsContact C-N 3.34Å; L10-M14 WeakPolarHBondContact O-CB 3.45Å; L10-M14 PolarHBondContact O-N 2.82Å; L10-L41 HydrophobicContact CB-CD1 3.9Å; L10-W46 HydrophobicContact CD1-CB 4.07Å; L10-W46 HydrophobicContact CD1-CE3 4.01Å; L10-L48 HydrophobicContact CD2-CD1 4.36Å
11V97.2Very high88.9Confident2 Ų283.2 Ų83.21%0.01244%0.444CS..Hα-helixtrans-62.6-43.6174.41690000110.5V7 K8 E9 M14 K15 E34 I37 I38 L41V7-V11 HydrophobicContact CG1-CG2 4.36Å; V7-V11 VanDerWaalsContact O-CG2 3.3Å; V7-V11 WeakPolarHBondContact O-CG2 3.14Å; V7-V11 PolarHBondContact O-N 2.63Å; K8-V11 PolarHBondContact O-N 2.95Å; E9-V11 PolarHBondContact O-N 2.93Å; V11-M14 PolarHBondContact O-N 3.16Å; V11-K15 HydrophobicContact CG1-CD 4.39Å; V11-K15 WeakPolarHBondContact O-CG 3.42Å; V11-K15 PolarHBondContact O-N 3.49Å; V11-E34 HydrophobicContact CG1-CB 4.09Å; V11-E34 HydrophobicContact CG1-CG 3.91Å; V11-I37 HydrophobicContact CB-CG2 4.47Å; V11-I37 HydrophobicContact CG1-CD1 4.31Å; V11-I37 HydrophobicContact CG1-CG2 4.49Å; V11-I37 HydrophobicContact CG2-CG2 4.08Å; V11-I38 HydrophobicContact CG2-CD1 4.26Å; V11-I38 HydrophobicContact CG2-CG1 3.65Å; V11-L41 HydrophobicContact CG2-CD1 4.29Å
12E96.5Very high91Very high93 Ų9380.3 Ų80.344%0.43542%0.424SS..Hα-helixtrans-67.5-42.5178.8-169.258.2-155.900112.3K8 E9 L10 M14 K15 N16K8-E12 PolarHBondContact O-N 3.33Å; K8-E12 VanDerWaalsContact O-N 3.08Å; E9-E12 PolarHBondContact O-N 3.29Å; L10-E12 VanDerWaalsContact C-N 3.34Å; E12-M14 VanDerWaalsContact C-N 3.29Å; E12-M14 PolarHBondContact O-N 2.81Å; E12-K15 PolarHBondContact O-N 2.68Å; E12-N16 PolarHBondContact O-N 3.12Å; E12-N16 PolarHBondContact O-ND2 2.79Å
13Q97.8Very high92.6Very high71 Ų7179.4 Ų79.433%0.33241%0.412SS..Hα-helixtrans-59.4-41.6172.7-71.6177.41300111.3E9 N16 L17 L48E9-Q13 HydrophobicContact CG-CG 4.49Å; E9-Q13 WeakPolarHBondContact O-CB 3.34Å; E9-Q13 VanDerWaalsContact O-CG 3.32Å; E9-Q13 WeakPolarHBondContact O-CG 3.03Å; E9-Q13 PolarHBondContact O-N 3.39Å; E9-Q13 PolarHBondContact OE1-NE2 3.35Å; Q13-N16 PolarHBondContact O-N 3.36Å; Q13-L17 WeakPolarHBondContact O-CG 3.13Å; Q13-L17 PolarHBondContact O-N 3.31Å; Q13-L48 HydrophobicContact CB-CD1 4.15Å; Q13-L48 HydrophobicContact CB-CD2 3.98Å
14M97.5Very high93.8Very high0 Ų075.9 Ų75.90%039%0.387CS..Hα-helixtrans-65.1-43.9176.8-173.759.674.500112.3L10 V11 E12 N16 L17 L18 I37 L41 L48 A51 E52 I55L10-M14 WeakPolarHBondContact O-CB 3.45Å; L10-M14 PolarHBondContact O-N 2.82Å; V11-M14 PolarHBondContact O-N 3.16Å; E12-M14 VanDerWaalsContact C-N 3.29Å; E12-M14 PolarHBondContact O-N 2.81Å; M14-N16 VanDerWaalsContact C-N 3.26Å; M14-N16 PolarHBondContact O-N 3.12Å; M14-L17 PolarHBondContact O-N 2.88Å; M14-L17 VanDerWaalsContact O-N 3.16Å; M14-L18 HydrophobicContact CG-CD1 3.77Å; M14-L18 HydrophobicContact CG-CG 4.31Å; M14-L18 VanDerWaalsContact O-CG 3.28Å; M14-L18 WeakPolarHBondContact O-CG 3.25Å; M14-L18 PolarHBondContact O-N 3.04Å; M14-L18 HydrophobicContact SD-CD1 3.95Å; M14-L18 HydrophobicContact SD-CD2 4.44Å; M14-L18 HydrophobicContact SD-CG 4.03Å; M14-I37 HydrophobicContact CB-CG2 3.81Å; M14-I37 HydrophobicContact CG-CG1 4.48Å; M14-I37 HydrophobicContact CG-CG2 3.73Å; M14-L41 HydrophobicContact CE-CD2 4.04Å; M14-L48 HydrophobicContact CB-CD1 4.2Å; M14-L48 HydrophobicContact CE-CD1 3.79Å; M14-L48 HydrophobicContact CE-CG 4.46Å; M14-L48 WeakPolarHBondContact CE-O 3.24Å; M14-A51 HydrophobicContact CE-CB 3.64Å; M14-E52 HydrophobicContact CE-CB 4.06Å; M14-E52 HydrophobicContact SD-CB 3.96Å; M14-E52 HydrophobicContact SD-CG 4.25Å; M14-I55 HydrophobicContact CE-CD1 4.05Å; M14-I55 HydrophobicContact CG-CD1 3.87Å; M14-I55 HydrophobicContact SD-CD1 3.81Å
15K95.6Very high93.9Very high51 Ų5174.5 Ų74.522%0.22238%0.381CS..Hα-helixtrans-57.1-42175.2-73.3174.5-178.3170.20111.3V11 E12 L18 Q19 I31 E34 I37V11-K15 HydrophobicContact CG1-CD 4.39Å; V11-K15 WeakPolarHBondContact O-CG 3.42Å; V11-K15 PolarHBondContact O-N 3.49Å; E12-K15 PolarHBondContact O-N 2.68Å; K15-L18 PolarHBondContact O-N 3.08Å; K15-Q19 PolarHBondContact O-N 3.16Å; K15-I31 HydrophobicContact CG-CG2 4.2Å; K15-E34 IonicContact NZ-OE1 2.68Å; K15-E34 PolarHBondContact NZ-OE1 2.93Å; K15-I37 HydrophobicContact CG-CD1 3.74Å
16N95.5Very high94Very high80 Ų8072.1 Ų72.143%0.42837%0.369SS..Hα-helixtrans-66.2-39.3176-72.5-46.9000113E12 Q13 M14 L18 Q19E12-N16 PolarHBondContact O-N 3.12Å; E12-N16 PolarHBondContact O-ND2 2.79Å; Q13-N16 PolarHBondContact O-N 3.36Å; M14-N16 VanDerWaalsContact C-N 3.26Å; M14-N16 PolarHBondContact O-N 3.12Å; N16-L18 VanDerWaalsContact C-N 3.27Å; N16-L18 PolarHBondContact O-N 3.35Å; N16-Q19 VanDerWaalsContact O-CD 3.32Å; N16-Q19 WeakPolarHBondContact O-CG 3.42Å; N16-Q19 PolarHBondContact O-N 3.07Å; N16-Q19 PolarHBondContact O-NE2 3.11Å; N16-Q19 VanDerWaalsContact O-NE2 3.16Å
17L96.4Very high93.7Very high61 Ų6168.4 Ų68.432%0.31935%0.349SS..Hα-helixtrans-65.4-31.5176.2-74.5172.8000112.6Q13 M14 L48 E52 R56Q13-L17 WeakPolarHBondContact O-CG 3.13Å; Q13-L17 PolarHBondContact O-N 3.31Å; M14-L17 PolarHBondContact O-N 2.88Å; M14-L17 VanDerWaalsContact O-N 3.16Å; L17-L48 HydrophobicContact CD1-CD1 4.15Å; L17-L48 HydrophobicContact CD1-CD2 3.58Å; L17-L48 HydrophobicContact CD1-CG 3.63Å; L17-E52 HydrophobicContact CB-CG 4.4Å; L17-R56 PolarHBondContact O-NH2 2.91Å
18L95.6Very high93.4Very high0 Ų068.9 Ų68.90%035%0.351CS..THydrogen-bonded Turntrans-924-177.1-61.1173.2000113.8M14 K15 N16 D20 L21 I31 E52 I55 R56M14-L18 HydrophobicContact CG-CD1 3.77Å; M14-L18 HydrophobicContact CG-CG 4.31Å; M14-L18 VanDerWaalsContact O-CG 3.28Å; M14-L18 WeakPolarHBondContact O-CG 3.25Å; M14-L18 PolarHBondContact O-N 3.04Å; M14-L18 HydrophobicContact SD-CD1 3.95Å; M14-L18 HydrophobicContact SD-CD2 4.44Å; M14-L18 HydrophobicContact SD-CG 4.03Å; K15-L18 PolarHBondContact O-N 3.08Å; N16-L18 VanDerWaalsContact C-N 3.27Å; N16-L18 PolarHBondContact O-N 3.35Å; L18-D20 PolarHBondContact O-N 3.41Å; L18-L21 HydrophobicContact CB-CD1 4.18Å; L18-L21 HydrophobicContact CD2-CD1 3.83Å; L18-L21 WeakPolarHBondContact O-CB 3.45Å; L18-L21 PolarHBondContact O-N 2.77Å; L18-L21 VanDerWaalsContact O-N 3.09Å; L18-I31 HydrophobicContact CB-CD1 3.85Å; L18-I31 HydrophobicContact CD1-CD1 4.41Å; L18-I31 HydrophobicContact CD1-CG1 4.25Å; L18-E52 HydrophobicContact CD2-CG 4.14Å; L18-I55 HydrophobicContact CD1-CD1 4.12Å; L18-I55 HydrophobicContact CD1-CG2 3.68Å; L18-I55 HydrophobicContact CD2-CG2 3.78Å; L18-I55 HydrophobicContact CG-CG2 4.41Å; L18-R56 HydrophobicContact CD2-CG 4.16Å
19Q92.1Very high93Very high155 Ų15566 Ų6672%0.72434%0.338SS*.THydrogen-bonded Turntrans-65.8-19.8-176.675.6-174.3-39.800113.9K15 N16 L21K15-Q19 PolarHBondContact O-N 3.16Å; N16-Q19 VanDerWaalsContact O-CD 3.32Å; N16-Q19 WeakPolarHBondContact O-CG 3.42Å; N16-Q19 PolarHBondContact O-N 3.07Å; N16-Q19 PolarHBondContact O-NE2 3.11Å; N16-Q19 VanDerWaalsContact O-NE2 3.16Å; Q19-L21 VanDerWaalsContact C-N 3.26Å
20D94.9Very high92.4Very high101 Ų10161.9 Ų61.954%0.5432%0.319SS..THydrogen-bonded Turntrans-73.8-18.9175.967.6-60.5000112.5L18 K22 R56L18-D20 PolarHBondContact O-N 3.41Å; D20-K22 PolarHBondContact O-N 3.16Å; D20-R56 IonicContact OD1-CZ 3.71Å; D20-R56 IonicContact OD1-NH1 3.06Å; D20-R56 PolarHBondContact OD1-NH1 3.44Å; D20-R56 IonicContact OD1-NH2 3.62Å; D20-R56 PolarHBondContact OD1-NH2 3.13Å; D20-R56 IonicContact OD2-CZ 2.91Å; D20-R56 IonicContact OD2-NH1 3.81Å; D20-R56 PolarHBondContact OD2-NH1 2.68Å; D20-R56 IonicContact OD2-NH2 2.76Å; D20-R56 PolarHBondContact OD2-NH2 2.95Å
21L92.3Very high91.9Very high42 Ų4262.4 Ų62.422%0.2232%0.322CS..SBendtrans-70.2130.3179.9-64.9-179000110.7L18 Q19 S23 T27 R56 I59L18-L21 HydrophobicContact CB-CD1 4.18Å; L18-L21 HydrophobicContact CD2-CD1 3.83Å; L18-L21 WeakPolarHBondContact O-CB 3.45Å; L18-L21 PolarHBondContact O-N 2.77Å; L18-L21 VanDerWaalsContact O-N 3.09Å; Q19-L21 VanDerWaalsContact C-N 3.26Å; L21-S23 PolarHBondContact O-N 3.05Å; L21-T27 HydrophobicContact CB-CG2 3.8Å; L21-T27 HydrophobicContact CD1-CG2 4.27Å; L21-R56 VanDerWaalsContact CD2-NH1 3.27Å; L21-I59 HydrophobicContact CD1-CD1 3.38Å
22K88.2Confident91.3Very high181 Ų18167.6 Ų67.679%0.78735%0.353SS*.PPolyproline II helixtrans-58128.9174.6-174.2-178.8177-177.70110.1D20 C24 T27D20-K22 PolarHBondContact O-N 3.16Å; K22-C24 PolarHBondContact O-N 3.37Å; K22-T27 PolarHBondContact O-OG1 3.05Å
23S89Confident91Very high82 Ų8267 Ų6757%0.57335%0.353SS*.PPolyproline II helixtrans-59.4127.5171.6175.30000110.3L21 D28L21-S23 PolarHBondContact O-N 3.05Å; S23-D28 WeakPolarHBondContact CA-OD1 3.47Å; S23-D28 WeakPolarHBondContact CB-OD1 3.41Å; S23-D28 VanDerWaalsContact OG-CG 3.27Å; S23-D28 PolarHBondContact OG-OD1 3.01Å; S23-D28 PolarHBondContact OG-OD2 2.83Å; S23-D28 VanDerWaalsContact OG-OD2 3.05Å
24C89.2Confident90.7Very high30 Ų3067.9 Ų67.920%0.20336%0.357CS..  trans-162.4162.8175.673.60000108.2K22 V26 T27 D28 Q63K22-C24 PolarHBondContact O-N 3.37Å; C24-V26 PolarHBondContact O-N 3.49Å; C24-T27 PolarHBondContact O-N 3.22Å; C24-T27 PolarHBondContact SG-OG1 2.79Å; C24-D28 PolarHBondContact N-OD1 3.22Å; C24-D28 PolarHBondContact N-OD2 3.44Å; C24-D28 WeakPolarHBondContact O-CB 3.46Å; C24-D28 PolarHBondContact O-N 3.02Å; C24-Q63 PolarHBondContact SG-NE2 2.99Å; C24-Q63 VanDerWaalsContact SG-NE2 3.44Å
25P87.5Confident90.6Very high111 Ų11171.3 Ų71.372%0.72137%0.373SS*.Hα-helixtrans-52.6-34.2-175.2-29.635.9000114.9K29P25-K29 WeakPolarHBondContact O-CB 3.36Å; P25-K29 PolarHBondContact O-N 3.29Å; P25-K29 VanDerWaalsContact O-N 3.09Å
26V88.7Confident90.5Very high26 Ų2669.6 Ų69.616%0.15837%0.367CS..Hα-helixtrans-67.4-55.8176.5174.50000111.1C24 L30 I59 R62 Q63C24-V26 PolarHBondContact O-N 3.49Å; V26-L30 PolarHBondContact O-N 3.13Å; V26-I59 HydrophobicContact CG1-CG1 4.49Å; V26-I59 HydrophobicContact CG1-CG2 4.29Å; V26-R62 HydrophobicContact CG1-CB 3.55Å; V26-R62 HydrophobicContact CG1-CG 4.39Å; V26-R62 HydrophobicContact CG2-CB 4.24Å; V26-Q63 HydrophobicContact CB-CG 4.47Å; V26-Q63 HydrophobicContact CG2-CG 4.47Å
27T87.8Confident90.5Very high3 Ų365.8 Ų65.82%0.01835%0.346CS..Hα-helixtrans-60.6-47.2-179.9-520000110.5L21 K22 C24 K29 L30 I31 I59L21-T27 HydrophobicContact CB-CG2 3.8Å; L21-T27 HydrophobicContact CD1-CG2 4.27Å; K22-T27 PolarHBondContact O-OG1 3.05Å; C24-T27 PolarHBondContact O-N 3.22Å; C24-T27 PolarHBondContact SG-OG1 2.79Å; T27-K29 PolarHBondContact O-N 3.39Å; T27-L30 PolarHBondContact O-N 3.24Å; T27-I31 HydrophobicContact CG2-CD1 3.54Å; T27-I31 HydrophobicContact CG2-CG1 4.3Å; T27-I31 WeakPolarHBondContact O-CG1 3.39Å; T27-I31 PolarHBondContact O-N 3.5Å; T27-I59 HydrophobicContact CG2-CD1 4.45Å
28D89.5Confident90.6Very high60 Ų6063.8 Ų63.832%0.32134%0.336SS..Hα-helixtrans-64.2-45.9-176.2-57.5-22000110.5S23 C24 L30 I31 T32S23-D28 WeakPolarHBondContact CA-OD1 3.47Å; S23-D28 WeakPolarHBondContact CB-OD1 3.41Å; S23-D28 VanDerWaalsContact OG-CG 3.27Å; S23-D28 PolarHBondContact OG-OD1 3.01Å; S23-D28 PolarHBondContact OG-OD2 2.83Å; S23-D28 VanDerWaalsContact OG-OD2 3.05Å; C24-D28 PolarHBondContact N-OD1 3.22Å; C24-D28 PolarHBondContact N-OD2 3.44Å; C24-D28 WeakPolarHBondContact O-CB 3.46Å; C24-D28 PolarHBondContact O-N 3.02Å; D28-L30 VanDerWaalsContact C-N 3.27Å; D28-L30 PolarHBondContact O-N 3.12Å; D28-I31 PolarHBondContact O-N 3.27Å; D28-T32 VanDerWaalsContact O-CB 3.24Å; D28-T32 WeakPolarHBondContact O-CB 3.25Å; D28-T32 WeakPolarHBondContact O-CG2 3.44Å; D28-T32 PolarHBondContact O-N 3.12Å; D28-T32 PolarHBondContact O-OG1 2.78Å
29K86.8Confident90.6Very high113 Ų11364.3 Ų64.349%0.49134%0.338SS..Hα-helixtrans-60.6-36.3177.2-176.8179.8-179.3-176.80112.2P25 T27 N36P25-K29 WeakPolarHBondContact O-CB 3.36Å; P25-K29 PolarHBondContact O-N 3.29Å; P25-K29 VanDerWaalsContact O-N 3.09Å; T27-K29 PolarHBondContact O-N 3.39Å; K29-N36 PolarHBondContact O-ND2 3.29Å
30L85.5Confident90.9Very high12 Ų1256.9 Ų56.96%0.06330%0.303CS..Hα-helixtrans-70.9-49.9177.5-170.582.6000111.4V26 T27 D28 N36 F40 I55 I59V26-L30 PolarHBondContact O-N 3.13Å; T27-L30 PolarHBondContact O-N 3.24Å; D28-L30 VanDerWaalsContact C-N 3.27Å; D28-L30 PolarHBondContact O-N 3.12Å; L30-N36 HydrophobicContact CD1-CB 3.86Å; L30-N36 HydrophobicContact CG-CB 4.36Å; L30-N36 WeakPolarHBondContact O-CB 3.31Å; L30-F40 HydrophobicContact CD1-CD2 4.37Å; L30-F40 HydrophobicContact CD1-CE2 3.69Å; L30-F40 HydrophobicContact CD1-CZ 4.4Å; L30-I55 HydrophobicContact CD2-CB 4.3Å; L30-I55 HydrophobicContact CD2-CG1 4.27Å; L30-I55 HydrophobicContact CD2-CG2 3.31Å; L30-I59 HydrophobicContact CD2-CD1 3.71Å; L30-I59 HydrophobicContact CD2-CG1 3.91Å
31I86.5Confident91Very high37 Ų3752.1 Ų52.119%0.1928%0.277CS..Hα-helixtrans-76.8-35.6-170.7-64.6179.5000112.4K15 L18 T27 D28 N33K15-I31 HydrophobicContact CG-CG2 4.2Å; L18-I31 HydrophobicContact CB-CD1 3.85Å; L18-I31 HydrophobicContact CD1-CD1 4.41Å; L18-I31 HydrophobicContact CD1-CG1 4.25Å; T27-I31 HydrophobicContact CG2-CD1 3.54Å; T27-I31 HydrophobicContact CG2-CG1 4.3Å; T27-I31 WeakPolarHBondContact O-CG1 3.39Å; T27-I31 PolarHBondContact O-N 3.5Å; D28-I31 PolarHBondContact O-N 3.27Å; I31-N33 VanDerWaalsContact C-N 3.32Å; I31-N33 PolarHBondContact O-N 3.2Å
32T85.3Confident91.1Very high110 Ų11054.6 Ų54.668%0.67529%0.287SS*.Hα-helixtrans-70.7-26.2-175.5540000113.6D28D28-T32 VanDerWaalsContact O-CB 3.24Å; D28-T32 WeakPolarHBondContact O-CB 3.25Å; D28-T32 WeakPolarHBondContact O-CG2 3.44Å; D28-T32 PolarHBondContact O-N 3.12Å; D28-T32 PolarHBondContact O-OG1 2.78Å
33N88.9Confident91.5Very high80 Ų8046.6 Ų46.643%0.42825%0.254SS..  trans-104.6107.3178-176.5-13.1000110.3I31 E35 N36I31-N33 VanDerWaalsContact C-N 3.32Å; I31-N33 PolarHBondContact O-N 3.2Å; N33-E35 PolarHBondContact O-N 2.99Å; N33-E35 VanDerWaalsContact O-N 3.15Å; N33-E35 WeakPolarHBondContact OD1-CB 2.93Å; N33-E35 PolarHBondContact OD1-N 3.25Å; N33-E35 VanDerWaalsContact OD1-N 3.15Å; N33-N36 VanDerWaalsContact O-CB 3.3Å; N33-N36 WeakPolarHBondContact O-CB 3.47Å; N33-N36 PolarHBondContact O-N 2.65Å
34E93.2Very high91.8Very high91 Ų9144.6 Ų44.643%0.42523%0.234SC..Hα-helixtrans-57.3-31.7-176.2-58.9-168.7159.300113.3V11 K15 N36 I37 I38V11-E34 HydrophobicContact CG1-CB 4.09Å; V11-E34 HydrophobicContact CG1-CG 3.91Å; K15-E34 IonicContact NZ-OE1 2.68Å; K15-E34 PolarHBondContact NZ-OE1 2.93Å; E34-N36 PolarHBondContact O-N 3.45Å; E34-I37 PolarHBondContact O-N 3.38Å; E34-I37 VanDerWaalsContact O-N 3.08Å; E34-I38 VanDerWaalsContact O-CG1 3.31Å; E34-I38 WeakPolarHBondContact O-CG1 3.46Å; E34-I38 PolarHBondContact O-N 2.82Å
35E93.8Very high92.1Very high71 Ų7148.2 Ų48.233%0.33226%0.26SS..Hα-helixtrans-61.4-28.9176.5-69.3-62.7162.400112.3N33 R39 T134N33-E35 PolarHBondContact O-N 2.99Å; N33-E35 VanDerWaalsContact O-N 3.15Å; N33-E35 WeakPolarHBondContact OD1-CB 2.93Å; N33-E35 PolarHBondContact OD1-N 3.25Å; N33-E35 VanDerWaalsContact OD1-N 3.15Å; E35-R39 WeakPolarHBondContact O-CG 3.44Å; E35-R39 PolarHBondContact O-N 3.48Å; E35-T134 HydrophobicContact CB-CG2 3.79Å; E35-T134 HydrophobicContact CG-CG2 4.23Å
36N94.2Very high92.5Very high16 Ų1645.9 Ų45.99%0.08624%0.237CC..Hα-helixtrans-65.7-49173-72.6-34.5000110.8K29 L30 N33 E34 I38 R39 F40 R169K29-N36 PolarHBondContact O-ND2 3.29Å; L30-N36 HydrophobicContact CD1-CB 3.86Å; L30-N36 HydrophobicContact CG-CB 4.36Å; L30-N36 WeakPolarHBondContact O-CB 3.31Å; N33-N36 VanDerWaalsContact O-CB 3.3Å; N33-N36 WeakPolarHBondContact O-CB 3.47Å; N33-N36 PolarHBondContact O-N 2.65Å; E34-N36 PolarHBondContact O-N 3.45Å; N36-I38 VanDerWaalsContact C-N 3.34Å; N36-I38 PolarHBondContact O-N 3.19Å; N36-R39 WeakPolarHBondContact O-CB 3.19Å; N36-R39 PolarHBondContact O-N 3.08Å; N36-R39 PolarHBondContact OD1-NH2 2.96Å; N36-F40 VanDerWaalsContact O-CD2 3.27Å; N36-F40 WeakPolarHBondContact O-CD2 3.45Å; N36-R169 PolarHBondContact OD1-NH2 2.95Å
37I96.4Very high92.9Very high0 Ų048.3 Ų48.30%025%0.248CC..Hα-helixtrans-60.6-44.8177.7-68.1171.2000110.9V11 M14 K15 E34 R39 F40 L41V11-I37 HydrophobicContact CB-CG2 4.47Å; V11-I37 HydrophobicContact CG1-CD1 4.31Å; V11-I37 HydrophobicContact CG1-CG2 4.49Å; V11-I37 HydrophobicContact CG2-CG2 4.08Å; M14-I37 HydrophobicContact CB-CG2 3.81Å; M14-I37 HydrophobicContact CG-CG1 4.48Å; M14-I37 HydrophobicContact CG-CG2 3.73Å; K15-I37 HydrophobicContact CG-CD1 3.74Å; E34-I37 PolarHBondContact O-N 3.38Å; E34-I37 VanDerWaalsContact O-N 3.08Å; I37-R39 VanDerWaalsContact C-N 3.25Å; I37-R39 PolarHBondContact O-N 3.43Å; I37-F40 PolarHBondContact O-N 3.34Å; I37-F40 VanDerWaalsContact O-N 3.13Å; I37-L41 HydrophobicContact CG2-CD1 3.81Å; I37-L41 HydrophobicContact CG2-CG 4.26Å; I37-L41 PolarHBondContact O-N 3.39Å
38I97Very high93.3Very high19 Ų1949.9 Ų49.910%0.09726%0.257CS..Hα-helixtrans-57.8-37.7-179.6-69.2167.7000111.6V7 V11 E34 N36 L41 K42 W46V7-I38 HydrophobicContact CG1-CD1 3.88Å; V7-I38 HydrophobicContact CG1-CG1 3.87Å; V11-I38 HydrophobicContact CG2-CD1 4.26Å; V11-I38 HydrophobicContact CG2-CG1 3.65Å; E34-I38 VanDerWaalsContact O-CG1 3.31Å; E34-I38 WeakPolarHBondContact O-CG1 3.46Å; E34-I38 PolarHBondContact O-N 2.82Å; N36-I38 VanDerWaalsContact C-N 3.34Å; N36-I38 PolarHBondContact O-N 3.19Å; I38-L41 PolarHBondContact O-N 3.39Å; I38-K42 HydrophobicContact CG2-CD 3.93Å; I38-K42 HydrophobicContact CG2-CG 4.29Å; I38-K42 WeakPolarHBondContact O-CB 3.34Å; I38-K42 WeakPolarHBondContact O-CG 3.37Å; I38-K42 PolarHBondContact O-N 3.3Å; I38-W46 HydrophobicContact CG2-CH2 4.1Å; I38-W46 HydrophobicContact CG2-CZ3 4.4Å
39R96.4Very high93.7Very high10 Ų1053.4 Ų53.44%0.03827%0.271CS..Hα-helixtrans-61-45.7176.1-75.4-176.3-58.798.81.5112.8E35 N36 I37 K42 A43 P167 E168E35-R39 WeakPolarHBondContact O-CG 3.44Å; E35-R39 PolarHBondContact O-N 3.48Å; N36-R39 WeakPolarHBondContact O-CB 3.19Å; N36-R39 PolarHBondContact O-N 3.08Å; N36-R39 PolarHBondContact OD1-NH2 2.96Å; I37-R39 VanDerWaalsContact C-N 3.25Å; I37-R39 PolarHBondContact O-N 3.43Å; R39-K42 PolarHBondContact O-N 3.23Å; R39-A43 WeakPolarHBondContact O-CB 3.5Å; R39-A43 PolarHBondContact O-N 2.67Å; R39-P167 PolarHBondContact NH1-O 3.36Å; R39-E168 HydrophobicContact CB-CB 4.01Å; R39-E168 HydrophobicContact CG-CB 3.97Å
40F97.3Very high94.3Very high0 Ų050.3 Ų50.30%026%0.264CS..Hα-helixtrans-67.9-39.8179.1-75.5-93.6000111.6L30 N36 I37 A43 R44 M54 I55 D58 P167L30-F40 HydrophobicContact CD1-CD2 4.37Å; L30-F40 HydrophobicContact CD1-CE2 3.69Å; L30-F40 HydrophobicContact CD1-CZ 4.4Å; N36-F40 VanDerWaalsContact O-CD2 3.27Å; N36-F40 WeakPolarHBondContact O-CD2 3.45Å; I37-F40 PolarHBondContact O-N 3.34Å; I37-F40 VanDerWaalsContact O-N 3.13Å; F40-A43 PolarHBondContact O-N 3.3Å; F40-R44 PolarHBondContact O-N 3.16Å; F40-R44 VanDerWaalsContact O-N 3.17Å; F40-M54 HydrophobicContact CD1-CB 4.04Å; F40-M54 HydrophobicContact CD1-CE 4.47Å; F40-M54 HydrophobicContact CD1-CG 3.66Å; F40-M54 HydrophobicContact CD1-SD 3.71Å; F40-M54 HydrophobicContact CE1-CE 4.47Å; F40-M54 HydrophobicContact CE1-CG 3.88Å; F40-M54 HydrophobicContact CE1-SD 4.21Å; F40-I55 HydrophobicContact CB-CD1 3.85Å; F40-I55 HydrophobicContact CB-CG1 3.63Å; F40-I55 HydrophobicContact CD1-CG1 3.6Å; F40-I55 HydrophobicContact CD2-CD1 4.44Å; F40-I55 HydrophobicContact CD2-CG1 3.83Å; F40-I55 HydrophobicContact CE1-CG1 4.19Å; F40-I55 HydrophobicContact CE2-CG1 4.41Å; F40-I55 HydrophobicContact CG-CD1 4.11Å; F40-I55 HydrophobicContact CG-CG1 3.4Å; F40-I55 VanDerWaalsContact CG-CG1 3.4Å; F40-D58 HydrophobicContact CE1-CB 3.89Å; F40-D58 HydrophobicContact CZ-CB 3.84Å; F40-P167 HydrophobicContact CD1-CG 3.65Å; F40-P167 HydrophobicContact CD2-CG 4.16Å; F40-P167 HydrophobicContact CE1-CG 3.58Å; F40-P167 HydrophobicContact CE2-CG 4.08Å; F40-P167 HydrophobicContact CG-CG 3.93Å; F40-P167 HydrophobicContact CZ-CG 3.8Å
41L97.6Very high94.8Very high0 Ų049.8 Ų49.80%026%0.261CS..Hα-helixtrans-59.2-51.4173-72.8169.3000111.1L10 V11 M14 I37 I38 A43 R44 S45 W46 L48 A51L10-L41 HydrophobicContact CB-CD1 3.9Å; V11-L41 HydrophobicContact CG2-CD1 4.29Å; M14-L41 HydrophobicContact CE-CD2 4.04Å; I37-L41 HydrophobicContact CG2-CD1 3.81Å; I37-L41 HydrophobicContact CG2-CG 4.26Å; I37-L41 PolarHBondContact O-N 3.39Å; I38-L41 PolarHBondContact O-N 3.39Å; L41-A43 VanDerWaalsContact C-N 3.34Å; L41-A43 PolarHBondContact O-N 3.37Å; L41-R44 CarbonylContact O-C 3.39Å; L41-R44 PolarHBondContact O-N 3.41Å; L41-R44 VanDerWaalsContact O-N 3.09Å; L41-S45 PolarHBondContact O-N 3.46Å; L41-W46 HydrophobicContact CB-CD2 4.47Å; L41-W46 HydrophobicContact CB-CE3 3.67Å; L41-W46 HydrophobicContact CB-CZ3 4Å; L41-W46 HydrophobicContact CD1-CE3 4.38Å; L41-W46 HydrophobicContact CD1-CZ3 4.43Å; L41-W46 WeakPolarHBondContact O-CA 3.38Å; L41-W46 PolarHBondContact O-N 3.06Å; L41-L48 HydrophobicContact CD2-CD1 4.25Å; L41-A51 HydrophobicContact CD2-CB 3.84Å; L41-A51 HydrophobicContact CG-CB 4.41Å
42K95.5Very high95.4Very high95 Ų9549.8 Ų49.841%0.41326%0.26SS..Hα-helixtrans-55.8-46.1177.3-79174.8179.41730112.3I38 R39 R44 S45 W46 E168I38-K42 HydrophobicContact CG2-CD 3.93Å; I38-K42 HydrophobicContact CG2-CG 4.29Å; I38-K42 WeakPolarHBondContact O-CB 3.34Å; I38-K42 WeakPolarHBondContact O-CG 3.37Å; I38-K42 PolarHBondContact O-N 3.3Å; R39-K42 PolarHBondContact O-N 3.23Å; K42-R44 PolarHBondContact O-N 3.36Å; K42-S45 PolarHBondContact O-N 2.6Å; K42-S45 VanDerWaalsContact O-N 3.08Å; K42-W46 HydrophobicContact CD-CH2 4.29Å; K42-W46 HydrophobicContact CD-CZ2 4.21Å; K42-W46 HydrophobicContact CG-CH2 3.57Å; K42-W46 HydrophobicContact CG-CZ2 3.33Å; K42-W46 HydrophobicContact CG-CZ3 4.29Å; K42-E168 HydrophobicContact CB-CG 3.82Å
43A95.5Very high96Very high13 Ų1351.4 Ų51.411%0.10726%0.258CS..Hα-helixtrans-64.3-21.9179.200000114R39 F40 L41 M54 P167 E168R39-A43 WeakPolarHBondContact O-CB 3.5Å; R39-A43 PolarHBondContact O-N 2.67Å; F40-A43 PolarHBondContact O-N 3.3Å; L41-A43 VanDerWaalsContact C-N 3.34Å; L41-A43 PolarHBondContact O-N 3.37Å; A43-M54 HydrophobicContact CB-SD 4.43Å; A43-P167 HydrophobicContact CB-CB 3.42Å; A43-P167 VanDerWaalsContact CB-CB 3.42Å; A43-E168 HydrophobicContact CB-CG 4.19Å
44R95.8Very high96.4Very high40 Ų4048.1 Ų48.115%0.15124%0.24CC..THydrogen-bonded Turntrans-108.628.2175.3-62.5-67.9169.7-100.38.6112.1F40 L41 K42 W46 D47 A51 M54 T354F40-R44 PolarHBondContact O-N 3.16Å; F40-R44 VanDerWaalsContact O-N 3.17Å; L41-R44 CarbonylContact O-C 3.39Å; L41-R44 PolarHBondContact O-N 3.41Å; L41-R44 VanDerWaalsContact O-N 3.09Å; K42-R44 PolarHBondContact O-N 3.36Å; R44-W46 PolarHBondContact O-N 2.74Å; R44-W46 VanDerWaalsContact O-N 3.11Å; R44-D47 VanDerWaalsContact O-CB 3.23Å; R44-D47 WeakPolarHBondContact O-CB 3.43Å; R44-D47 PolarHBondContact O-N 2.86Å; R44-A51 HydrophobicContact CB-CB 4.15Å; R44-A51 HydrophobicContact CG-CB 4.42Å; R44-M54 HydrophobicContact CG-SD 4.13Å; R44-M54 PolarHBondContact NH2-SD 2.77Å; R44-M54 VanDerWaalsContact NH2-SD 3.42Å; R44-T354 PolarHBondContact NH1-O 3.27Å; R44-T354 PolarHBondContact NH1-OXT 3.29Å; R44-T354 PolarHBondContact NH2-O 3.2Å; R44-T354 PolarHBondContact NH2-OG1 2.84Å
45S94.6Very high96.6Very high106 Ų10643.8 Ų43.874%0.74122%0.22SC*.THydrogen-bonded Turntrans52.534.9177.4-56.50000113.5L41 K42 D47L41-S45 PolarHBondContact O-N 3.46Å; K42-S45 PolarHBondContact O-N 2.6Å; K42-S45 VanDerWaalsContact O-N 3.08Å; S45-D47 PolarHBondContact O-N 2.86Å
46W96.2Very high96.7Very high62 Ų6243.5 Ų43.524%0.23522%0.216CC..THydrogen-bonded Turntrans65.416.1-177.6-48.192.4000114.8I5 V7 L10 I38 L41 K42 R44 L48I5-W46 HydrophobicContact CD1-CB 4.05Å; I5-W46 HydrophobicContact CD1-CD2 4.16Å; I5-W46 HydrophobicContact CD1-CG 3.56Å; I5-W46 HydrophobicContact CG2-CB 4.22Å; I5-W46 HydrophobicContact CG2-CD2 3.87Å; I5-W46 HydrophobicContact CG2-CE3 3.97Å; I5-W46 HydrophobicContact CG2-CG 4Å; V7-W46 HydrophobicContact CB-CZ3 4.4Å; V7-W46 HydrophobicContact CG1-CH2 4.3Å; V7-W46 HydrophobicContact CG1-CZ3 4.03Å; V7-W46 HydrophobicContact CG2-CH2 3.73Å; V7-W46 HydrophobicContact CG2-CZ3 3.81Å; L10-W46 HydrophobicContact CD1-CB 4.07Å; L10-W46 HydrophobicContact CD1-CE3 4.01Å; I38-W46 HydrophobicContact CG2-CH2 4.1Å; I38-W46 HydrophobicContact CG2-CZ3 4.4Å; L41-W46 HydrophobicContact CB-CD2 4.47Å; L41-W46 HydrophobicContact CB-CE3 3.67Å; L41-W46 HydrophobicContact CB-CZ3 4Å; L41-W46 HydrophobicContact CD1-CE3 4.38Å; L41-W46 HydrophobicContact CD1-CZ3 4.43Å; L41-W46 WeakPolarHBondContact O-CA 3.38Å; L41-W46 PolarHBondContact O-N 3.06Å; K42-W46 HydrophobicContact CD-CH2 4.29Å; K42-W46 HydrophobicContact CD-CZ2 4.21Å; K42-W46 HydrophobicContact CG-CH2 3.57Å; K42-W46 HydrophobicContact CG-CZ2 3.33Å; K42-W46 HydrophobicContact CG-CZ3 4.29Å; R44-W46 PolarHBondContact O-N 2.74Å; R44-W46 VanDerWaalsContact O-N 3.11Å; W46-L48 PolarHBondContact O-N 3.42Å
47D97Very high96.9Very high76 Ų7647.2 Ų47.241%0.40623%0.231SC..  trans-74.1112.1170.6-175.6-92.9000110.5R44 S45 Q49 S50 A51R44-D47 VanDerWaalsContact O-CB 3.23Å; R44-D47 WeakPolarHBondContact O-CB 3.43Å; R44-D47 PolarHBondContact O-N 2.86Å; S45-D47 PolarHBondContact O-N 2.86Å; D47-Q49 PolarHBondContact O-N 3.25Å; D47-Q49 PolarHBondContact OD1-N 2.94Å; D47-S50 WeakPolarHBondContact OD1-CA 3.34Å; D47-S50 WeakPolarHBondContact OD1-CB 3.33Å; D47-S50 PolarHBondContact OD1-N 3.41Å; D47-S50 PolarHBondContact OD1-OG 3.04Å; D47-A51 VanDerWaalsContact O-CB 3.27Å; D47-A51 WeakPolarHBondContact O-CB 3.27Å; D47-A51 PolarHBondContact O-N 2.87Å
48L97.2Very high96.9Very high37 Ų3747.3 Ų47.319%0.19423%0.232CC..Hα-helixtrans-61.4-45.7-172.8-171.772.7000112.2L10 Q13 M14 L17 L41 W46 A51 E52L10-L48 HydrophobicContact CD2-CD1 4.36Å; Q13-L48 HydrophobicContact CB-CD1 4.15Å; Q13-L48 HydrophobicContact CB-CD2 3.98Å; M14-L48 HydrophobicContact CB-CD1 4.2Å; M14-L48 HydrophobicContact CE-CD1 3.79Å; M14-L48 HydrophobicContact CE-CG 4.46Å; M14-L48 WeakPolarHBondContact CE-O 3.24Å; L17-L48 HydrophobicContact CD1-CD1 4.15Å; L17-L48 HydrophobicContact CD1-CD2 3.58Å; L17-L48 HydrophobicContact CD1-CG 3.63Å; L41-L48 HydrophobicContact CD2-CD1 4.25Å; W46-L48 PolarHBondContact O-N 3.42Å; L48-A51 PolarHBondContact O-N 3.49Å; L48-E52 WeakPolarHBondContact O-CB 3.4Å; L48-E52 PolarHBondContact O-N 2.7Å
49Q97.9Very high96.8Very high133 Ų13346.6 Ų46.662%0.62123%0.228SC*.Hα-helixtrans-69.6-39.8-176.3-66.1-178.11.600112.2D47 E52 K53D47-Q49 PolarHBondContact O-N 3.25Å; D47-Q49 PolarHBondContact OD1-N 2.94Å; Q49-E52 PolarHBondContact O-N 3.24Å; Q49-K53 WeakPolarHBondContact O-CG 3.21Å; Q49-K53 PolarHBondContact O-N 3.05Å; Q49-K53 VanDerWaalsContact O-N 3.1Å
50S97.9Very high96.8Very high49 Ų4951.1 Ų51.134%0.34325%0.25SC..Hα-helixtrans-70-38.8178.1-57.30000111.2D47 M54D47-S50 WeakPolarHBondContact OD1-CA 3.34Å; D47-S50 WeakPolarHBondContact OD1-CB 3.33Å; D47-S50 PolarHBondContact OD1-N 3.41Å; D47-S50 PolarHBondContact OD1-OG 3.04Å; S50-M54 PolarHBondContact O-N 3.14Å; S50-M54 VanDerWaalsContact O-N 3.14Å
51A97.7Very high96.8Very high0 Ų053 Ų530%026%0.257CS..Hα-helixtrans-64.4-41.8173.200000111.9M14 L41 R44 D47 L48 M54 I55M14-A51 HydrophobicContact CE-CB 3.64Å; L41-A51 HydrophobicContact CD2-CB 3.84Å; L41-A51 HydrophobicContact CG-CB 4.41Å; R44-A51 HydrophobicContact CB-CB 4.15Å; R44-A51 HydrophobicContact CG-CB 4.42Å; D47-A51 VanDerWaalsContact O-CB 3.27Å; D47-A51 WeakPolarHBondContact O-CB 3.27Å; D47-A51 PolarHBondContact O-N 2.87Å; L48-A51 PolarHBondContact O-N 3.49Å; A51-M54 PolarHBondContact O-N 2.81Å; A51-I55 WeakPolarHBondContact O-CG1 3.42Å; A51-I55 PolarHBondContact O-N 2.82Å
52E97.9Very high96.7Very high37 Ų3754.7 Ų54.717%0.17326%0.263CS..Hα-helixtrans-59.2-49.2176.4-173-163.1168.400111.2M14 L17 L18 L48 Q49 M54 I55 R56M14-E52 HydrophobicContact CE-CB 4.06Å; M14-E52 HydrophobicContact SD-CB 3.96Å; M14-E52 HydrophobicContact SD-CG 4.25Å; L17-E52 HydrophobicContact CB-CG 4.4Å; L18-E52 HydrophobicContact CD2-CG 4.14Å; L48-E52 WeakPolarHBondContact O-CB 3.4Å; L48-E52 PolarHBondContact O-N 2.7Å; Q49-E52 PolarHBondContact O-N 3.24Å; E52-M54 VanDerWaalsContact C-N 3.27Å; E52-M54 PolarHBondContact O-N 3.35Å; E52-I55 PolarHBondContact O-N 3.4Å; E52-R56 WeakPolarHBondContact O-CG 3.5Å; E52-R56 PolarHBondContact O-N 2.71Å; E52-R56 IonicContact OE1-CZ 3.67Å; E52-R56 VanDerWaalsContact OE1-CZ 3.28Å; E52-R56 IonicContact OE1-NE 2.64Å; E52-R56 PolarHBondContact OE1-NE 3.41Å; E52-R56 IonicContact OE1-NH2 3.59Å; E52-R56 PolarHBondContact OE1-NH2 3.34Å
53K98Very high96.6Very high145 Ų14554.6 Ų54.663%0.6326%0.264SS*.Hα-helixtrans-56.6-42.4176.9-72.3172.6-174.4174.90111.8Q49 K57Q49-K53 WeakPolarHBondContact O-CG 3.21Å; Q49-K53 PolarHBondContact O-N 3.05Å; Q49-K53 VanDerWaalsContact O-N 3.1Å; K53-K57 WeakPolarHBondContact O-CB 3.36Å; K53-K57 PolarHBondContact O-N 3.14Å; K53-K57 VanDerWaalsContact O-N 3.07Å
54M97.6Very high96.6Very high10 Ų1060.3 Ų60.35%0.04929%0.289CS..Hα-helixtrans-66.8-43.1178.6-168.7-176.5-170.700112F40 A43 R44 S50 A51 E52 K57 D58 A163 D164 P167F40-M54 HydrophobicContact CD1-CB 4.04Å; F40-M54 HydrophobicContact CD1-CE 4.47Å; F40-M54 HydrophobicContact CD1-CG 3.66Å; F40-M54 HydrophobicContact CD1-SD 3.71Å; F40-M54 HydrophobicContact CE1-CE 4.47Å; F40-M54 HydrophobicContact CE1-CG 3.88Å; F40-M54 HydrophobicContact CE1-SD 4.21Å; A43-M54 HydrophobicContact CB-SD 4.43Å; R44-M54 HydrophobicContact CG-SD 4.13Å; R44-M54 PolarHBondContact NH2-SD 2.77Å; R44-M54 VanDerWaalsContact NH2-SD 3.42Å; S50-M54 PolarHBondContact O-N 3.14Å; S50-M54 VanDerWaalsContact O-N 3.14Å; A51-M54 PolarHBondContact O-N 2.81Å; E52-M54 VanDerWaalsContact C-N 3.27Å; E52-M54 PolarHBondContact O-N 3.35Å; M54-K57 PolarHBondContact O-N 3.37Å; M54-D58 PolarHBondContact O-N 2.91Å; M54-A163 WeakPolarHBondContact CE-O 3.37Å; M54-D164 WeakPolarHBondContact CE-O 3.3Å; M54-P167 HydrophobicContact CE-CB 3.73Å; M54-P167 HydrophobicContact CE-CG 3.68Å; M54-P167 HydrophobicContact SD-CB 4.34Å; M54-P167 HydrophobicContact SD-CG 4.18Å
55I97.3Very high96.6Very high0 Ų062.6 Ų62.60%030%0.3CS..Hα-helixtrans-59.6-48.2175.5-75.8170000110.8M14 L18 L30 F40 A51 E52 K57 D58 I59M14-I55 HydrophobicContact CE-CD1 4.05Å; M14-I55 HydrophobicContact CG-CD1 3.87Å; M14-I55 HydrophobicContact SD-CD1 3.81Å; L18-I55 HydrophobicContact CD1-CD1 4.12Å; L18-I55 HydrophobicContact CD1-CG2 3.68Å; L18-I55 HydrophobicContact CD2-CG2 3.78Å; L18-I55 HydrophobicContact CG-CG2 4.41Å; L30-I55 HydrophobicContact CD2-CB 4.3Å; L30-I55 HydrophobicContact CD2-CG1 4.27Å; L30-I55 HydrophobicContact CD2-CG2 3.31Å; F40-I55 HydrophobicContact CB-CD1 3.85Å; F40-I55 HydrophobicContact CB-CG1 3.63Å; F40-I55 HydrophobicContact CD1-CG1 3.6Å; F40-I55 HydrophobicContact CD2-CD1 4.44Å; F40-I55 HydrophobicContact CD2-CG1 3.83Å; F40-I55 HydrophobicContact CE1-CG1 4.19Å; F40-I55 HydrophobicContact CE2-CG1 4.41Å; F40-I55 HydrophobicContact CG-CD1 4.11Å; F40-I55 HydrophobicContact CG-CG1 3.4Å; F40-I55 VanDerWaalsContact CG-CG1 3.4Å; A51-I55 WeakPolarHBondContact O-CG1 3.42Å; A51-I55 PolarHBondContact O-N 2.82Å; E52-I55 PolarHBondContact O-N 3.4Å; I55-K57 VanDerWaalsContact C-N 3.33Å; I55-K57 PolarHBondContact O-N 2.87Å; I55-D58 PolarHBondContact O-N 3.42Å; I55-D58 VanDerWaalsContact O-N 3.16Å; I55-I59 HydrophobicContact CG2-CD1 3.77Å; I55-I59 HydrophobicContact CG2-CG1 4.38Å; I55-I59 WeakPolarHBondContact O-CG1 3.46Å; I55-I59 PolarHBondContact O-N 2.96Å
56R96.9Very high96.6Very high65 Ų6562.3 Ų62.325%0.24528%0.282CS..Hα-helixtrans-61.9-41.8-179.7-69.8179.4-178.2-80.2-1.8111.7L17 L18 D20 L21 E52 I59 Q60L17-R56 PolarHBondContact O-NH2 2.91Å; L18-R56 HydrophobicContact CD2-CG 4.16Å; D20-R56 IonicContact OD1-CZ 3.71Å; D20-R56 IonicContact OD1-NH1 3.06Å; D20-R56 PolarHBondContact OD1-NH1 3.44Å; D20-R56 IonicContact OD1-NH2 3.62Å; D20-R56 PolarHBondContact OD1-NH2 3.13Å; D20-R56 IonicContact OD2-CZ 2.91Å; D20-R56 IonicContact OD2-NH1 3.81Å; D20-R56 PolarHBondContact OD2-NH1 2.68Å; D20-R56 IonicContact OD2-NH2 2.76Å; D20-R56 PolarHBondContact OD2-NH2 2.95Å; L21-R56 VanDerWaalsContact CD2-NH1 3.27Å; E52-R56 WeakPolarHBondContact O-CG 3.5Å; E52-R56 PolarHBondContact O-N 2.71Å; E52-R56 IonicContact OE1-CZ 3.67Å; E52-R56 VanDerWaalsContact OE1-CZ 3.28Å; E52-R56 IonicContact OE1-NE 2.64Å; E52-R56 PolarHBondContact OE1-NE 3.41Å; E52-R56 IonicContact OE1-NH2 3.59Å; E52-R56 PolarHBondContact OE1-NH2 3.34Å; R56-I59 PolarHBondContact O-N 3.48Å; R56-Q60 WeakPolarHBondContact O-CB 3.17Å; R56-Q60 PolarHBondContact O-N 3.46Å
57K96.8Very high96.6Very high95 Ų9559.5 Ų59.541%0.41327%0.272SS..Hα-helixtrans-61-42.9173.8-175.5-174.6172.4-168.70111.7K53 M54 I55 W61 D164K53-K57 WeakPolarHBondContact O-CB 3.36Å; K53-K57 PolarHBondContact O-N 3.14Å; K53-K57 VanDerWaalsContact O-N 3.07Å; M54-K57 PolarHBondContact O-N 3.37Å; I55-K57 VanDerWaalsContact C-N 3.33Å; I55-K57 PolarHBondContact O-N 2.87Å; K57-W61 WeakPolarHBondContact O-CB 3.46Å; K57-W61 PolarHBondContact O-N 3.34Å; K57-D164 VanDerWaalsContact NZ-CG 3.28Å; K57-D164 IonicContact NZ-OD1 2.84Å; K57-D164 PolarHBondContact NZ-OD1 3.13Å; K57-D164 IonicContact NZ-OD2 3.42Å; K57-D164 PolarHBondContact NZ-OD2 2.94Å
58D96.8Very high96.4Very high1 Ų158.9 Ų58.91%0.00527%0.269CS..Hα-helixtrans-65-44.7177.1-175.256.8000112.2F40 M54 I55 Q60 W61 R62 H165F40-D58 HydrophobicContact CE1-CB 3.89Å; F40-D58 HydrophobicContact CZ-CB 3.84Å; M54-D58 PolarHBondContact O-N 2.91Å; I55-D58 PolarHBondContact O-N 3.42Å; I55-D58 VanDerWaalsContact O-N 3.16Å; D58-Q60 PolarHBondContact O-N 2.89Å; D58-W61 PolarHBondContact O-N 3.31Å; D58-R62 WeakPolarHBondContact O-CB 3.25Å; D58-R62 VanDerWaalsContact O-CG 3.26Å; D58-R62 WeakPolarHBondContact O-CG 3.47Å; D58-R62 PolarHBondContact O-N 3.46Å; D58-R62 IonicContact OD1-CZ 3.21Å; D58-R62 IonicContact OD1-NE 2.73Å; D58-R62 PolarHBondContact OD1-NE 2.63Å; D58-R62 IonicContact OD1-NH2 2.83Å; D58-R62 WeakPolarHBondContact OD2-CD 3.27Å; D58-R62 IonicContact OD2-CZ 3.52Å; D58-R62 IonicContact OD2-NE 3.49Å; D58-R62 PolarHBondContact OD2-NE 3.49Å; D58-R62 IonicContact OD2-NH2 2.72Å; D58-H165 WeakPolarHBondContact OD1-CA 3.34Å; D58-H165 VanDerWaalsContact OD1-CB 3.31Å; D58-H165 WeakPolarHBondContact OD1-CB 3.34Å; D58-H165 IonicContact OD1-CG 2.71Å; D58-H165 IonicContact OD1-ND1 3.99Å; D58-H165 PolarHBondContact OD1-ND1 3.18Å
59I95.7Very high96.3Very high4 Ų462.5 Ų62.52%0.02129%0.288CS..Hα-helixtrans-60.1-47.2177.3-70.7172.6000110.7L21 V26 T27 L30 I55 R56 R62 Q63L21-I59 HydrophobicContact CD1-CD1 3.38Å; V26-I59 HydrophobicContact CG1-CG1 4.49Å; V26-I59 HydrophobicContact CG1-CG2 4.29Å; T27-I59 HydrophobicContact CG2-CD1 4.45Å; L30-I59 HydrophobicContact CD2-CD1 3.71Å; L30-I59 HydrophobicContact CD2-CG1 3.91Å; I55-I59 HydrophobicContact CG2-CD1 3.77Å; I55-I59 HydrophobicContact CG2-CG1 4.38Å; I55-I59 WeakPolarHBondContact O-CG1 3.46Å; I55-I59 PolarHBondContact O-N 2.96Å; R56-I59 PolarHBondContact O-N 3.48Å; I59-R62 PolarHBondContact O-N 3.2Å; I59-Q63 HydrophobicContact CG2-CG 4.48Å; I59-Q63 VanDerWaalsContact O-CG 3.28Å; I59-Q63 WeakPolarHBondContact O-CG 3.24Å; I59-Q63 PolarHBondContact O-N 3.29Å
60Q95.6Very high96.1Very high106 Ų10657.2 Ų57.250%0.49527%0.265SS..Hα-helixtrans-58.6-50.5177.1-179.2-179.20.700111R56 D58 R62 Q63 E64R56-Q60 WeakPolarHBondContact O-CB 3.17Å; R56-Q60 PolarHBondContact O-N 3.46Å; D58-Q60 PolarHBondContact O-N 2.89Å; Q60-R62 VanDerWaalsContact C-N 3.32Å; Q60-R62 PolarHBondContact O-N 3.38Å; Q60-Q63 WeakPolarHBondContact O-CB 3.46Å; Q60-Q63 PolarHBondContact O-N 3.14Å; Q60-Q63 VanDerWaalsContact O-N 3.14Å; Q60-E64 HydrophobicContact CG-CG 4.48Å; Q60-E64 VanDerWaalsContact CG-OE1 3.22Å; Q60-E64 WeakPolarHBondContact CG-OE1 3.35Å; Q60-E64 PolarHBondContact NE2-OE1 3.35Å; Q60-E64 WeakPolarHBondContact O-CG 3.46Å; Q60-E64 PolarHBondContact O-N 3.42Å
61W96.8Very high96Very high38 Ų3856.9 Ų56.914%0.14426%0.259CS..Hα-helixtrans-59.4-42.6178.5174.777.6000112.2K57 D58 Q63 E64 F65 P67 I119 H165 Y166K57-W61 WeakPolarHBondContact O-CB 3.46Å; K57-W61 PolarHBondContact O-N 3.34Å; D58-W61 PolarHBondContact O-N 3.31Å; W61-Q63 VanDerWaalsContact C-N 3.31Å; W61-Q63 PolarHBondContact O-N 2.95Å; W61-E64 PolarHBondContact O-N 3.4Å; W61-F65 HydrophobicContact CD2-CB 4.36Å; W61-F65 AromaticContact CE2-CD1 3.94Å; W61-F65 AromaticContact CE2-CG 3.93Å; W61-F65 HydrophobicContact CG-CB 4.47Å; W61-F65 HydrophobicContact CH2-CD1 4.06Å; W61-F65 HydrophobicContact CZ2-CB 4.26Å; W61-F65 AromaticContact CZ2-CD1 3.45Å; W61-F65 HydrophobicContact CZ2-CD1 3.45Å; W61-F65 VanDerWaalsContact CZ2-CD1 3.45Å; W61-F65 HydrophobicContact CZ2-CE1 4Å; W61-F65 AromaticContact CZ2-CG 3.91Å; W61-F65 HydrophobicContact CZ2-CG 3.91Å; W61-F65 AromaticContact NE1-CG 3.83Å; W61-F65 VanDerWaalsContact O-CB 3.24Å; W61-F65 WeakPolarHBondContact O-CB 3.32Å; W61-F65 PolarHBondContact O-N 3.47Å; W61-P67 HydrophobicContact CE3-CG 4.35Å; W61-P67 HydrophobicContact CH2-CB 3.75Å; W61-P67 HydrophobicContact CH2-CG 3.9Å; W61-P67 HydrophobicContact CZ3-CB 4.01Å; W61-P67 HydrophobicContact CZ3-CG 3.65Å; W61-I119 HydrophobicContact CH2-CD1 4.29Å; W61-I119 HydrophobicContact CZ2-CD1 3.97Å; W61-H165 WeakPolarHBondContact CB-CE1 3.41Å; W61-H165 AromaticContact CD1-CE1 3.97Å; W61-H165 AromaticContact CD1-NE2 3.76Å; W61-H165 HydrophobicContact CD2-CB 4.49Å; W61-H165 AromaticContact CD2-CD2 3.66Å; W61-H165 AromaticContact CD2-CE1 3.54Å; W61-H165 AromaticContact CD2-CG 3.64Å; W61-H165 AromaticContact CD2-ND1 3.55Å; W61-H165 AromaticContact CD2-NE2 3.62Å; W61-H165 AromaticContact CE2-CD2 3.89Å; W61-H165 HydrophobicContact CE3-CB 3.79Å; W61-H165 AromaticContact CE3-CD2 3.86Å; W61-H165 AromaticContact CE3-CE1 3.83Å; W61-H165 AromaticContact CE3-CG 3.35Å; W61-H165 AromaticContact CE3-ND1 3.33Å; W61-H165 VanDerWaalsContact CE3-ND1 3.33Å; W61-H165 AromaticContact CG-CE1 3.26Å; W61-H165 AromaticContact CG-ND1 3.74Å; W61-H165 AromaticContact CG-NE2 3.47Å; W61-H165 HydrophobicContact CH2-CB 4.3Å; W61-H165 HydrophobicContact CZ3-CB 3.67Å; W61-H165 AromaticContact CZ3-CG 3.72Å; W61-Y166 HydrophobicContact CH2-CE2 4.06Å; W61-Y166 HydrophobicContact CZ3-CE2 4.2Å
62R96.5Very high95.8Very high37 Ų3757 Ų5714%0.1426%0.26CS..Hα-helixtrans-64.1-35.5177.1-73.6-179.9-179.7-75.6-11.6112.4V26 D58 I59 Q60 R66 P67 E123 H165 Y166V26-R62 HydrophobicContact CG1-CB 3.55Å; V26-R62 HydrophobicContact CG1-CG 4.39Å; V26-R62 HydrophobicContact CG2-CB 4.24Å; D58-R62 WeakPolarHBondContact O-CB 3.25Å; D58-R62 VanDerWaalsContact O-CG 3.26Å; D58-R62 WeakPolarHBondContact O-CG 3.47Å; D58-R62 PolarHBondContact O-N 3.46Å; D58-R62 IonicContact OD1-CZ 3.21Å; D58-R62 IonicContact OD1-NE 2.73Å; D58-R62 PolarHBondContact OD1-NE 2.63Å; D58-R62 IonicContact OD1-NH2 2.83Å; D58-R62 WeakPolarHBondContact OD2-CD 3.27Å; D58-R62 IonicContact OD2-CZ 3.52Å; D58-R62 IonicContact OD2-NE 3.49Å; D58-R62 PolarHBondContact OD2-NE 3.49Å; D58-R62 IonicContact OD2-NH2 2.72Å; I59-R62 PolarHBondContact O-N 3.2Å; Q60-R62 VanDerWaalsContact C-N 3.32Å; Q60-R62 PolarHBondContact O-N 3.38Å; R62-R66 WeakPolarHBondContact O-CA 3.47Å; R62-R66 WeakPolarHBondContact O-CD 3.47Å; R62-R66 PolarHBondContact O-N 2.93Å; R62-R66 VanDerWaalsContact O-N 3.12Å; R62-P67 HydrophobicContact CB-CG 4.32Å; R62-P67 HydrophobicContact CG-CG 3.85Å; R62-P67 WeakPolarHBondContact O-CD 3.17Å; R62-E123 IonicContact CZ-OE1 3.42Å; R62-E123 IonicContact NH1-OE1 3.53Å; R62-E123 PolarHBondContact NH1-OE1 3.09Å; R62-E123 IonicContact NH1-OE2 3.92Å; R62-E123 IonicContact NH2-OE1 3.28Å; R62-H165 PolarHBondContact NH2-O 3.25Å; R62-Y166 VanDerWaalsContact NH2-CE1 3.32Å
63Q93.6Very high95.5Very high92 Ų9261.6 Ų61.643%0.4328%0.279SS..Hα-helixtrans-69.3-40.7175.9-72.9172.5-9.700111.9C24 V26 I59 Q60 W61 R66C24-Q63 PolarHBondContact SG-NE2 2.99Å; C24-Q63 VanDerWaalsContact SG-NE2 3.44Å; V26-Q63 HydrophobicContact CB-CG 4.47Å; V26-Q63 HydrophobicContact CG2-CG 4.47Å; I59-Q63 HydrophobicContact CG2-CG 4.48Å; I59-Q63 VanDerWaalsContact O-CG 3.28Å; I59-Q63 WeakPolarHBondContact O-CG 3.24Å; I59-Q63 PolarHBondContact O-N 3.29Å; Q60-Q63 WeakPolarHBondContact O-CB 3.46Å; Q60-Q63 PolarHBondContact O-N 3.14Å; Q60-Q63 VanDerWaalsContact O-N 3.14Å; W61-Q63 VanDerWaalsContact C-N 3.31Å; W61-Q63 PolarHBondContact O-N 2.95Å; Q63-R66 WeakPolarHBondContact O-CD 3.37Å
64E95Very high95Very high134 Ų13456.5 Ų56.563%0.62626%0.259SS*.Hα-helixtrans-78.4-51.7-178.1-69.1173-172.500112.7Q60 W61Q60-E64 HydrophobicContact CG-CG 4.48Å; Q60-E64 VanDerWaalsContact CG-OE1 3.22Å; Q60-E64 WeakPolarHBondContact CG-OE1 3.35Å; Q60-E64 PolarHBondContact NE2-OE1 3.35Å; Q60-E64 WeakPolarHBondContact O-CG 3.46Å; Q60-E64 PolarHBondContact O-N 3.42Å; W61-E64 PolarHBondContact O-N 3.4Å
65F95.3Very high94.8Very high87 Ų8756 Ų5638%0.38226%0.257SS..Hα-helixtrans-81.7-27.3-174.6-175.7-98.4000113.3W61 P67 T70 I119W61-F65 HydrophobicContact CD2-CB 4.36Å; W61-F65 AromaticContact CE2-CD1 3.94Å; W61-F65 AromaticContact CE2-CG 3.93Å; W61-F65 HydrophobicContact CG-CB 4.47Å; W61-F65 HydrophobicContact CH2-CD1 4.06Å; W61-F65 HydrophobicContact CZ2-CB 4.26Å; W61-F65 AromaticContact CZ2-CD1 3.45Å; W61-F65 HydrophobicContact CZ2-CD1 3.45Å; W61-F65 VanDerWaalsContact CZ2-CD1 3.45Å; W61-F65 HydrophobicContact CZ2-CE1 4Å; W61-F65 AromaticContact CZ2-CG 3.91Å; W61-F65 HydrophobicContact CZ2-CG 3.91Å; W61-F65 AromaticContact NE1-CG 3.83Å; W61-F65 VanDerWaalsContact O-CB 3.24Å; W61-F65 WeakPolarHBondContact O-CB 3.32Å; W61-F65 PolarHBondContact O-N 3.47Å; F65-P67 HydrophobicContact CD1-CB 4.15Å; F65-P67 HydrophobicContact CE1-CB 4.48Å; F65-T70 WeakPolarHBondContact CE1-OG1 3.44Å; F65-I119 HydrophobicContact CD1-CD1 4.44Å; F65-I119 HydrophobicContact CE1-CD1 3.57Å; F65-I119 HydrophobicContact CE1-CG2 4.08Å; F65-I119 HydrophobicContact CZ-CD1 3.78Å
66R95.5Very high94.5Very high100 Ų10058.7 Ų58.738%0.37727%0.269SS..  trans54.561.7-177.3-61.3-61.6-53.8-77.21.7113.2R62 Q63 D68 L69 T70R62-R66 WeakPolarHBondContact O-CA 3.47Å; R62-R66 WeakPolarHBondContact O-CD 3.47Å; R62-R66 PolarHBondContact O-N 2.93Å; R62-R66 VanDerWaalsContact O-N 3.12Å; Q63-R66 WeakPolarHBondContact O-CD 3.37Å; R66-D68 WeakPolarHBondContact CA-OD1 3.24Å; R66-D68 IonicContact CZ-OD1 3.99Å; R66-D68 IonicContact CZ-OD2 2.63Å; R66-D68 IonicContact NE-OD1 3.02Å; R66-D68 PolarHBondContact NE-OD1 3.36Å; R66-D68 IonicContact NE-OD2 3.17Å; R66-D68 PolarHBondContact NE-OD2 3.08Å; R66-D68 IonicContact NH2-OD1 2.83Å; R66-D68 IonicContact NH2-OD2 2.66Å; R66-D68 PolarHBondContact NH2-OD2 3.23Å; R66-D68 PolarHBondContact O-N 2.81Å; R66-D68 VanDerWaalsContact O-N 3.12Å; R66-L69 HydrophobicContact CB-CB 4.32Å; R66-L69 HydrophobicContact CB-CD1 4.48Å; R66-L69 HydrophobicContact CB-CG 4.45Å; R66-L69 VanDerWaalsContact CZ-CD1 3.44Å; R66-L69 PolarHBondContact O-N 2.91Å; R66-T70 PolarHBondContact O-N 3.07Å; R66-T70 PolarHBondContact O-OG1 3.03Å
67P96.5Very high94.1Very high3 Ų362.2 Ų62.22%0.01929%0.293CS..G310 helixtrans-58.9-27177.427.2-34.7000112.5W61 R62 F65 L69 T70 I119 E123W61-P67 HydrophobicContact CE3-CG 4.35Å; W61-P67 HydrophobicContact CH2-CB 3.75Å; W61-P67 HydrophobicContact CH2-CG 3.9Å; W61-P67 HydrophobicContact CZ3-CB 4.01Å; W61-P67 HydrophobicContact CZ3-CG 3.65Å; R62-P67 HydrophobicContact CB-CG 4.32Å; R62-P67 HydrophobicContact CG-CG 3.85Å; R62-P67 WeakPolarHBondContact O-CD 3.17Å; F65-P67 HydrophobicContact CD1-CB 4.15Å; F65-P67 HydrophobicContact CE1-CB 4.48Å; P67-L69 PolarHBondContact O-N 3.28Å; P67-T70 VanDerWaalsContact CA-OG1 3.27Å; P67-T70 WeakPolarHBondContact CA-OG1 3.45Å; P67-T70 WeakPolarHBondContact O-CB 3.31Å; P67-T70 PolarHBondContact O-N 3.46Å; P67-T70 PolarHBondContact O-OG1 2.97Å; P67-I119 HydrophobicContact CB-CG2 3.62Å; P67-E123 HydrophobicContact CB-CG 3.94Å
68D92.3Very high93.7Very high64 Ų6461.9 Ų61.934%0.34229%0.292SS..G310 helixtrans-64.5-23.4175.763.6-60.9000114.2R66R66-D68 WeakPolarHBondContact CA-OD1 3.24Å; R66-D68 IonicContact CZ-OD1 3.99Å; R66-D68 IonicContact CZ-OD2 2.63Å; R66-D68 IonicContact NE-OD1 3.02Å; R66-D68 PolarHBondContact NE-OD1 3.36Å; R66-D68 IonicContact NE-OD2 3.17Å; R66-D68 PolarHBondContact NE-OD2 3.08Å; R66-D68 IonicContact NH2-OD1 2.83Å; R66-D68 IonicContact NH2-OD2 2.66Å; R66-D68 PolarHBondContact NH2-OD2 3.23Å; R66-D68 PolarHBondContact O-N 2.81Å; R66-D68 VanDerWaalsContact O-N 3.12Å
69L94.2Very high93.4Very high113 Ų11362.2 Ų62.259%0.59230%0.295SS*.G310 helixtrans-108.85176.6-57.9-174.4000112.8R66 P67R66-L69 HydrophobicContact CB-CB 4.32Å; R66-L69 HydrophobicContact CB-CD1 4.48Å; R66-L69 HydrophobicContact CB-CG 4.45Å; R66-L69 VanDerWaalsContact CZ-CD1 3.44Å; R66-L69 PolarHBondContact O-N 2.91Å; P67-L69 PolarHBondContact O-N 3.28Å
70T94.9Very high93.1Very high21 Ų2162 Ų6213%0.12929%0.294CS..  trans-60.7141.3-178.8-69.80000110.2F65 R66 P67 T116 I119 Y120F65-T70 WeakPolarHBondContact CE1-OG1 3.44Å; R66-T70 PolarHBondContact O-N 3.07Å; R66-T70 PolarHBondContact O-OG1 3.03Å; P67-T70 VanDerWaalsContact CA-OG1 3.27Å; P67-T70 WeakPolarHBondContact CA-OG1 3.45Å; P67-T70 WeakPolarHBondContact O-CB 3.31Å; P67-T70 PolarHBondContact O-N 3.46Å; P67-T70 PolarHBondContact O-OG1 2.97Å; T70-T116 HydrophobicContact CG2-CG2 3.7Å; T70-T116 WeakPolarHBondContact CG2-O 3Å; T70-I119 HydrophobicContact CG2-CB 4.31Å; T70-I119 HydrophobicContact CG2-CG2 4.15Å; T70-Y120 WeakPolarHBondContact O-CD2 3.32Å
71D94.2Very high92.9Very high43 Ų4357 Ų5723%0.2327%0.271CS..  trans-146.9138.1179.3-179.436.2000110.4K73 H76D71-K73 PolarHBondContact O-N 2.78Å; D71-K73 WeakPolarHBondContact OD2-CE 3.37Å; D71-K73 IonicContact OD2-NZ 3.44Å; D71-K73 PolarHBondContact OD2-NZ 3.11Å; D71-H76 IonicContact OD1-CD2 2.63Å; D71-H76 IonicContact OD1-NE2 3.84Å; D71-H76 PolarHBondContact OD1-NE2 3.28Å; D71-H76 IonicContact OD2-CD2 3.17Å; D71-H76 PolarHBondContact OD2-CD2 3Å; D71-H76 IonicContact OD2-NE2 3.92Å; D71-H76 PolarHBondContact OD2-NE2 3.07Å; D71-H76 VanDerWaalsContact OD2-NE2 3.17Å
72C93.9Very high92.7Very high2 Ų255.8 Ų55.81%0.01427%0.266CS..  trans-89.687.6-175.7-171.70000111N74 C75 H76 H117 P281C72-N74 PolarHBondContact O-N 3.43Å; C72-C75 HydrophobicContact CB-CB 4.14Å; C72-C75 PolarHBondContact O-N 2.68Å; C72-C75 VanDerWaalsContact O-N 3.08Å; C72-H76 PolarHBondContact O-CD2 3.38Å; C72-H76 PolarHBondContact O-N 3.04Å; C72-H117 HydrophobicContact CB-CB 4.27Å; C72-P281 HydrophobicContact CB-CG 4.15Å
73K91.2Very high92.7Very high133 Ų13354.4 Ų54.458%0.57826%0.262SS*.Hα-helixtrans-57.1-32.9178.2-57.7-52.2-178.7-170.50113.6D71 H76 N77D71-K73 PolarHBondContact O-N 2.78Å; D71-K73 WeakPolarHBondContact OD2-CE 3.37Å; D71-K73 IonicContact OD2-NZ 3.44Å; D71-K73 PolarHBondContact OD2-NZ 3.11Å; K73-H76 PolarHBondContact O-N 3.36Å; K73-N77 VanDerWaalsContact O-CG 3.29Å; K73-N77 PolarHBondContact O-N 3.04Å; K73-N77 PolarHBondContact O-ND2 3.35Å
74N89.5Confident92.9Very high39 Ų3951.3 Ų51.321%0.20925%0.249CC..Hα-helixtrans-66.7-38.7178.1-160.8-4.8000111.7C72 H76 N77 Q78 D113C72-N74 PolarHBondContact O-N 3.43Å; N74-H76 VanDerWaalsContact C-N 3.31Å; N74-H76 PolarHBondContact O-N 3.16Å; N74-N77 PolarHBondContact O-N 2.79Å; N74-Q78 PolarHBondContact O-N 3.34Å; N74-D113 HydrophobicContact CB-CB 4.38Å; N74-D113 PolarHBondContact ND2-OD2 3Å
75C91.8Very high93Very high0 Ų045 Ų450%022%0.219CC..Hα-helixtrans-62.5-37.2173.2-76.50000112.3C72 Q78 P79 H82 P281 N282C72-C75 HydrophobicContact CB-CB 4.14Å; C72-C75 PolarHBondContact O-N 2.68Å; C72-C75 VanDerWaalsContact O-N 3.08Å; C75-Q78 CarbonylContact O-C 3.59Å; C75-P79 WeakPolarHBondContact O-CA 3.48Å; C75-H82 PolarHBondContact SG-ND1 2.76Å; C75-P281 HydrophobicContact CB-CB 3.94Å; C75-P281 HydrophobicContact CB-CG 4.22Å; C75-N282 PolarHBondContact O-ND2 3.21Å
76H91.7Very high93.2Very high55 Ų5541.1 Ų41.126%0.25520%0.202SC..Hα-helixtrans-66.9-42.9175.2-66.4-57.7000112.6D71 C72 K73 N74 D285D71-H76 IonicContact OD1-CD2 2.63Å; D71-H76 IonicContact OD1-NE2 3.84Å; D71-H76 PolarHBondContact OD1-NE2 3.28Å; D71-H76 IonicContact OD2-CD2 3.17Å; D71-H76 PolarHBondContact OD2-CD2 3Å; D71-H76 IonicContact OD2-NE2 3.92Å; D71-H76 PolarHBondContact OD2-NE2 3.07Å; D71-H76 VanDerWaalsContact OD2-NE2 3.17Å; C72-H76 PolarHBondContact O-CD2 3.38Å; C72-H76 PolarHBondContact O-N 3.04Å; K73-H76 PolarHBondContact O-N 3.36Å; N74-H76 VanDerWaalsContact C-N 3.31Å; N74-H76 PolarHBondContact O-N 3.16Å; H76-D285 IonicContact CE1-OD1 2.86Å; H76-D285 PolarHBondContact CE1-OD1 3.1Å; H76-D285 IonicContact CE1-OD2 3.76Å; H76-D285 PolarHBondContact CE1-OD2 2.9Å; H76-D285 IonicContact CG-OD2 3.56Å; H76-D285 IonicContact ND1-OD1 2.99Å; H76-D285 PolarHBondContact ND1-OD1 3.05Å; H76-D285 IonicContact ND1-OD2 2.77Å; H76-D285 PolarHBondContact ND1-OD2 3.48Å
77N88.5Confident93.4Very high139 Ų13936.4 Ų36.474%0.74318%0.184SC*.Hα-helixtrans-73.4-36.4-178.7-67.6-21000112.5K73 N74K73-N77 VanDerWaalsContact O-CG 3.29Å; K73-N77 PolarHBondContact O-N 3.04Å; K73-N77 PolarHBondContact O-ND2 3.35Å; N74-N77 PolarHBondContact O-N 2.79Å
78Q88.4Confident93.4Very high88 Ų8836.2 Ų36.241%0.41118%0.183SC..SBendtrans-135.888.2-179.6-174.2173.89.600109.6N74 C75 G80 T81N74-Q78 PolarHBondContact O-N 3.34Å; C75-Q78 CarbonylContact O-C 3.59Å; Q78-G80 PolarHBondContact O-N 3.08Å; Q78-T81 WeakPolarHBondContact CB-OG1 3.19Å; Q78-T81 WeakPolarHBondContact O-CB 3.49Å; Q78-T81 PolarHBondContact O-N 3.04Å; Q78-T81 PolarHBondContact O-OG1 2.83Å
79P90.7Very high93.7Very high8 Ų835 Ų355%0.05218%0.175CC..THydrogen-bonded Turntrans-56.7136.7177-30.839.4000112.9C75 I105 W246 N282 L291 Y296C75-P79 WeakPolarHBondContact O-CA 3.48Å; P79-I105 WeakPolarHBondContact O-CD1 3.43Å; P79-W246 HydrophobicContact CB-CH2 3.93Å; P79-W246 HydrophobicContact CB-CZ2 3.67Å; P79-N282 WeakPolarHBondContact CA-ND2 3.43Å; P79-N282 WeakPolarHBondContact CA-OD1 3.48Å; P79-L291 HydrophobicContact CB-CD1 4.41Å; P79-L291 HydrophobicContact CB-CD2 4.38Å; P79-L291 HydrophobicContact CG-CD1 4.41Å; P79-L291 HydrophobicContact CG-CD2 3.53Å; P79-Y296 HydrophobicContact CB-CD1 4.46Å; P79-Y296 HydrophobicContact CB-CE1 3.83Å; P79-Y296 HydrophobicContact CG-CE1 3.75Å; P79-Y296 WeakPolarHBondContact CG-OH 3.5Å
80G89.1Confident93.9Very high0 Ų030 Ų300%015%0.149CC..THydrogen-bonded Turntrans84.45.2-175.600000115.4Q78 H82 I105 N282Q78-G80 PolarHBondContact O-N 3.08Å; G80-H82 VanDerWaalsContact C-N 3.33Å; G80-H82 PolarHBondContact O-N 2.6Å; G80-I105 PolarHBondContact O-N 3.3Å; G80-N282 PolarHBondContact N-OD1 2.96Å
81T90.8Very high93.8Very high2 Ų235.5 Ų35.51%0.01217%0.173CC..SBendtrans-52.9-50.6172.4-67.80000111.7Q78 S106Q78-T81 WeakPolarHBondContact CB-OG1 3.19Å; Q78-T81 WeakPolarHBondContact O-CB 3.49Å; Q78-T81 PolarHBondContact O-N 3.04Å; Q78-T81 PolarHBondContact O-OG1 2.83Å; T81-S106 WeakPolarHBondContact O-CB 3.48Å
82H94Very high93.9Very high11 Ų1136.4 Ų36.45%0.05119%0.187CC..  trans-114.5146.5175.8-54.1113.1000110.7C75 G80 D113 A114 H117 F245 H280C75-H82 PolarHBondContact SG-ND1 2.76Å; G80-H82 VanDerWaalsContact C-N 3.33Å; G80-H82 PolarHBondContact O-N 2.6Å; H82-D113 PolarHBondContact CE1-O 3.22Å; H82-A114 WeakPolarHBondContact NE2-CA 3.37Å; H82-H117 HydrophobicContact CB-CB 4.36Å; H82-H117 VanDerWaalsContact CB-CD2 3.48Å; H82-H117 WeakPolarHBondContact CB-CD2 3.46Å; H82-H117 AromaticContact CG-CD2 3.93Å; H82-H117 AromaticContact CG-CG 3.65Å; H82-H117 AromaticContact ND1-CG 3.54Å; H82-H117 AromaticContact ND1-ND1 3.8Å; H82-F245 WeakPolarHBondContact O-CZ 3.37Å; H82-H280 PolarHBondContact O-CE1 3.49Å; H82-H280 PolarHBondContact O-NE2 3.49Å
83S95.1Very high94Very high8 Ų837.4 Ų37.46%0.05620%0.197CC..  trans-104.8-14.2177.268.40000114R85 S100S83-R85 PolarHBondContact O-N 3.45Å; S83-R85 PolarHBondContact O-NH1 3.49Å; S83-S100 PolarHBondContact OG-N 3.28Å; S83-S100 PolarHBondContact OG-O 3.34Å; S83-S100 VanDerWaalsContact OG-O 3.08Å
84L97.9Very high94.3Very high27 Ų2733 Ų3314%0.14118%0.177CC..  trans-62.9116.9-171.3-175.680.3000109.8I97 Y98 A99 H117 L118 T121 F138 H280L84-I97 HydrophobicContact CD1-CG2 3.51Å; L84-I97 HydrophobicContact CD2-CG2 4.41Å; L84-I97 HydrophobicContact CG-CG2 3.71Å; L84-Y98 CarbonylContact C-O 3.57Å; L84-Y98 VanDerWaalsContact CA-O 3.31Å; L84-Y98 WeakPolarHBondContact CA-O 3.41Å; L84-A99 HydrophobicContact CB-CB 4.24Å; L84-A99 HydrophobicContact CD1-CB 3.7Å; L84-H117 PolarHBondContact O-NE2 3.2Å; L84-L118 HydrophobicContact CD2-CB 4.4Å; L84-L118 HydrophobicContact CD2-CD1 3.8Å; L84-T121 HydrophobicContact CD2-CG2 4.27Å; L84-T121 HydrophobicContact CG-CG2 4.22Å; L84-T121 PolarHBondContact O-OG1 3.03Å; L84-F138 HydrophobicContact CD1-CD1 4.32Å; L84-F138 HydrophobicContact CD1-CE1 4.22Å; L84-H280 PolarHBondContact O-CD2 2.75Å
85R98.5Very high94.8Very high2 Ų231.2 Ų31.21%0.00817%0.167CC..EExtended strand (participates in β ladder)trans-152.5154.4-176.168-168.5179.6-78.74.9111.6S83 I87 I97 Y98 Q103 E229 P258 H280S83-R85 PolarHBondContact O-N 3.45Å; S83-R85 PolarHBondContact O-NH1 3.49Å; R85-I87 HydrophobicContact CG-CG2 3.73Å; R85-I97 CarbonylContact O-C 3.55Å; R85-I97 WeakPolarHBondContact O-CA 3.36Å; R85-Y98 PolarHBondContact N-O 3.44Å; R85-Y98 PolarHBondContact O-N 3.35Å; R85-Q103 VanDerWaalsContact NH2-OE1 3.16Å; R85-E229 IonicContact NH2-OE2 3.8Å; R85-P258 PolarHBondContact NE-O 3.18Å; R85-P258 PolarHBondContact NH2-O 3.09Å; R85-H280 HydrophobicContact CB-CB 3.98Å
86Q98.8Very high95.1Very high6 Ų631.2 Ų31.23%0.02817%0.167CC..EExtended strand (participates in β ladder)trans-72.5136.9166.4-176.5171.2-14.600109.5P95 I96 S128 Y264 H277Q86-P95 HydrophobicContact CG-CB 4.37Å; Q86-I96 WeakPolarHBondContact CA-O 3.49Å; Q86-S128 PolarHBondContact NE2-OG 2.87Å; Q86-S128 PolarHBondContact OE1-OG 2.66Å; Q86-Y264 HydrophobicContact CB-CE2 4.18Å; Q86-Y264 HydrophobicContact CG-CD2 4.23Å; Q86-Y264 HydrophobicContact CG-CE2 3.68Å; Q86-Y264 VanDerWaalsContact O-CE1 3.24Å; Q86-Y264 WeakPolarHBondContact O-CE1 3.16Å; Q86-H277 PolarHBondContact OE1-CE1 3.21Å
87I98.6Very high95.5Very high0 Ų028.6 Ų28.60%016%0.155CC..EExtended strand (participates in β ladder)trans-124.2-9.4-178.860.675.7000113.5R85 I96 T222 W225 G260 D261 Y264R85-I87 HydrophobicContact CG-CG2 3.73Å; I87-I96 HydrophobicContact CD1-CB 3.93Å; I87-I96 HydrophobicContact CD1-CG2 3.7Å; I87-I96 HydrophobicContact CG1-CB 4.41Å; I87-I96 HydrophobicContact CG1-CG2 4.06Å; I87-I96 PolarHBondContact N-O 3.17Å; I87-T222 HydrophobicContact CD1-CG2 3.95Å; I87-W225 HydrophobicContact CB-CH2 4.03Å; I87-W225 HydrophobicContact CB-CZ2 4.4Å; I87-W225 HydrophobicContact CB-CZ3 4.09Å; I87-W225 HydrophobicContact CD1-CE3 4.21Å; I87-W225 HydrophobicContact CD1-CZ3 4.28Å; I87-W225 HydrophobicContact CG1-CE3 4.3Å; I87-W225 HydrophobicContact CG1-CH2 4.31Å; I87-W225 HydrophobicContact CG1-CZ3 3.89Å; I87-W225 HydrophobicContact CG2-CH2 3.56Å; I87-W225 HydrophobicContact CG2-CZ2 4.06Å; I87-W225 HydrophobicContact CG2-CZ3 4.03Å; I87-G260 CarbonylContact O-C 3.55Å; I87-G260 WeakPolarHBondContact O-CA 3.45Å; I87-D261 PolarHBondContact O-N 3.26Å; I87-Y264 VanDerWaalsContact O-CB 3.27Å; I87-Y264 WeakPolarHBondContact O-CB 3.44Å
88G98.3Very high96Very high0 Ų022 Ų220%012%0.12CC..EExtended strand (participates in β ladder)trans170.3-168.1-165.900000113.8I96 D261G88-I96 PolarHBondContact O-N 3.22Å; G88-D261 WeakPolarHBondContact CA-OD2 2.93Å
89F98.1Very high96.4Very high37 Ų3718.4 Ų18.416%0.16211%0.105CC..EExtended strand (participates in β ladder)trans-133148.8173.5-59.4-94.2000110G93 R94 P95 I96 P219 Y264 W268F89-G93 WeakPolarHBondContact CD1-O 3.41Å; F89-R94 CarbonylContact C-O 3.58Å; F89-R94 VanDerWaalsContact CA-O 3.28Å; F89-R94 WeakPolarHBondContact CA-O 3.47Å; F89-P95 HydrophobicContact CD1-CG 4.33Å; F89-P95 HydrophobicContact CE1-CB 4.44Å; F89-P95 HydrophobicContact CE1-CG 4.06Å; F89-I96 WeakPolarHBondContact O-CD1 3.36Å; F89-P219 WeakPolarHBondContact O-CD 3.26Å; F89-Y264 HydrophobicContact CE2-CD2 4.32Å; F89-W268 AromaticContact CE2-CE2 3.71Å; F89-W268 AromaticContact CE2-CZ2 3.93Å; F89-W268 HydrophobicContact CE2-CZ2 3.93Å; F89-W268 AromaticContact CE2-NE1 3.44Å; F89-W268 AromaticContact CZ-CE2 3.66Å; F89-W268 HydrophobicContact CZ-CH2 4.16Å; F89-W268 AromaticContact CZ-CZ2 3.46Å; F89-W268 HydrophobicContact CZ-CZ2 3.46Å; F89-W268 VanDerWaalsContact CZ-CZ2 3.46Å; F89-W268 AromaticContact CZ-NE1 3.91Å
90D97.7Very high96.6Very high9 Ų918 Ų185%0.04810%0.103CC..  trans-85.2178.6173.582.1-12.7000111.9A92 G93 R94 I96 Y217 F218D90-A92 PolarHBondContact O-N 3.02Å; D90-A92 VanDerWaalsContact O-N 3.13Å; D90-A92 WeakPolarHBondContact OD1-CA 3.28Å; D90-A92 WeakPolarHBondContact OD1-CB 3.46Å; D90-A92 PolarHBondContact OD1-N 3.13Å; D90-G93 WeakPolarHBondContact O-CA 3.35Å; D90-G93 PolarHBondContact O-N 3.37Å; D90-G93 PolarHBondContact OD1-N 3.45Å; D90-G93 VanDerWaalsContact OD1-N 3.1Å; D90-R94 PolarHBondContact N-O 2.98Å; D90-R94 WeakPolarHBondContact OD1-CA 3.35Å; D90-R94 VanDerWaalsContact OD1-CB 3.26Å; D90-R94 WeakPolarHBondContact OD1-CB 3.43Å; D90-R94 PolarHBondContact OD1-N 3.05Å; D90-R94 IonicContact OD1-NE 2.77Å; D90-R94 IonicContact OD2-CZ 3.46Å; D90-R94 IonicContact OD2-NE 2.85Å; D90-R94 PolarHBondContact OD2-NE 3.49Å; D90-R94 IonicContact OD2-NH2 2.74Å; D90-R94 PolarHBondContact OD2-NH2 3.16Å; D90-I96 HydrophobicContact CB-CD1 3.98Å; D90-I96 HydrophobicContact CB-CG1 4.07Å; D90-Y217 WeakPolarHBondContact CB-O 3.35Å; D90-F218 HydrophobicContact CB-CD1 3.75Å; D90-F218 HydrophobicContact CB-CE1 4.09Å
91E93.9Very high96.7Very high136 Ų13619.8 Ų19.864%0.63611%0.111SC*.THydrogen-bonded Turntrans-61.2-22.2-179.7-69.2-70.4177.400113.4G93 Y217 P219E91-G93 VanDerWaalsContact C-N 3.32Å; E91-Y217 PolarHBondContact N-O 2.81Å; E91-P219 VanDerWaalsContact OE1-CA 3.31Å; E91-P219 WeakPolarHBondContact OE1-CA 3.41Å
92A94.9Very high96.6Very high63 Ų6320.8 Ų20.852%0.52112%0.117SC..THydrogen-bonded Turntrans-89.86174.800000113D90 R94D90-A92 PolarHBondContact O-N 3.02Å; D90-A92 VanDerWaalsContact O-N 3.13Å; D90-A92 WeakPolarHBondContact OD1-CA 3.28Å; D90-A92 WeakPolarHBondContact OD1-CB 3.46Å; D90-A92 PolarHBondContact OD1-N 3.13Å; A92-R94 VanDerWaalsContact C-N 3.26Å; A92-R94 HydrophobicContact CB-CG 4.2Å; A92-R94 PolarHBondContact O-N 2.82Å
93G96.6Very high96.5Very high22 Ų2220.2 Ų20.223%0.22712%0.115CC..SBendtrans73.513.5-17800000114.2F89 D90 E91F89-G93 WeakPolarHBondContact CD1-O 3.41Å; D90-G93 WeakPolarHBondContact O-CA 3.35Å; D90-G93 PolarHBondContact O-N 3.37Å; D90-G93 PolarHBondContact OD1-N 3.45Å; D90-G93 VanDerWaalsContact OD1-N 3.1Å; E91-G93 VanDerWaalsContact C-N 3.32Å
94R98.4Very high96.2Very high42 Ų4220.8 Ų20.816%0.15812%0.12CC..  trans-77.6133178.1-59.9-179.7-67.7-174.92.2109.5F89 D90 A92 I96 V133 Q135 V137F89-R94 CarbonylContact C-O 3.58Å; F89-R94 VanDerWaalsContact CA-O 3.28Å; F89-R94 WeakPolarHBondContact CA-O 3.47Å; D90-R94 PolarHBondContact N-O 2.98Å; D90-R94 WeakPolarHBondContact OD1-CA 3.35Å; D90-R94 VanDerWaalsContact OD1-CB 3.26Å; D90-R94 WeakPolarHBondContact OD1-CB 3.43Å; D90-R94 PolarHBondContact OD1-N 3.05Å; D90-R94 IonicContact OD1-NE 2.77Å; D90-R94 IonicContact OD2-CZ 3.46Å; D90-R94 IonicContact OD2-NE 2.85Å; D90-R94 PolarHBondContact OD2-NE 3.49Å; D90-R94 IonicContact OD2-NH2 2.74Å; D90-R94 PolarHBondContact OD2-NH2 3.16Å; A92-R94 VanDerWaalsContact C-N 3.26Å; A92-R94 HydrophobicContact CB-CG 4.2Å; A92-R94 PolarHBondContact O-N 2.82Å; R94-I96 PolarHBondContact O-N 2.93Å; R94-V133 HydrophobicContact CG-CG1 4.08Å; R94-Q135 VanDerWaalsContact CB-O 3.24Å; R94-Q135 WeakPolarHBondContact CB-O 3.36Å; R94-Q135 HydrophobicContact CG-CB 4.29Å; R94-Q135 WeakPolarHBondContact CG-O 3.45Å; R94-V137 HydrophobicContact CB-CG2 4.16Å
95P98.7Very high95.3Very high0 Ų020.6 Ų20.60%012%0.119CC..EExtended strand (participates in β ladder)trans-55.5130.9172.9-25.534.5000111.4Q86 F89 A125 S128 M129 Q135 W136 V137Q86-P95 HydrophobicContact CG-CB 4.37Å; F89-P95 HydrophobicContact CD1-CG 4.33Å; F89-P95 HydrophobicContact CE1-CB 4.44Å; F89-P95 HydrophobicContact CE1-CG 4.06Å; P95-A125 HydrophobicContact CB-CB 3.98Å; P95-A125 HydrophobicContact CG-CB 4.28Å; P95-A125 WeakPolarHBondContact CG-O 3.31Å; P95-S128 VanDerWaalsContact CG-OG 3.29Å; P95-S128 WeakPolarHBondContact CG-OG 3.5Å; P95-M129 HydrophobicContact CG-CE 4.03Å; P95-M129 HydrophobicContact CG-CG 3.77Å; P95-Q135 WeakPolarHBondContact CD-O 3.31Å; P95-W136 HydrophobicContact CB-CB 4.44Å; P95-W136 WeakPolarHBondContact O-CA 3.28Å; P95-V137 PolarHBondContact O-N 3.09Å
96I98.9Very high94Very high0 Ų021.7 Ų21.70%013%0.127CC..EExtended strand (participates in β ladder)trans-95.7114.8173.6-58172.8000108.1Q86 I87 G88 F89 D90 R94 V139 F218 T222Q86-I96 WeakPolarHBondContact CA-O 3.49Å; I87-I96 HydrophobicContact CD1-CB 3.93Å; I87-I96 HydrophobicContact CD1-CG2 3.7Å; I87-I96 HydrophobicContact CG1-CB 4.41Å; I87-I96 HydrophobicContact CG1-CG2 4.06Å; I87-I96 PolarHBondContact N-O 3.17Å; G88-I96 PolarHBondContact O-N 3.22Å; F89-I96 WeakPolarHBondContact O-CD1 3.36Å; D90-I96 HydrophobicContact CB-CD1 3.98Å; D90-I96 HydrophobicContact CB-CG1 4.07Å; R94-I96 PolarHBondContact O-N 2.93Å; I96-V139 HydrophobicContact CG2-CG2 3.87Å; I96-F218 HydrophobicContact CD1-CD1 3.51Å; I96-F218 HydrophobicContact CD1-CE1 3.8Å; I96-F218 HydrophobicContact CD1-CG 4.08Å; I96-F218 HydrophobicContact CG1-CD1 4.35Å; I96-F218 HydrophobicContact CG1-CE1 4.2Å; I96-T222 HydrophobicContact CD1-CG2 3.58Å
97I98.9Very high92.5Very high0 Ų023.9 Ų23.90%014%0.139CC..EExtended strand (participates in β ladder)trans-102.2112.9177.6-54.7171.6000108.2L84 R85 T121 I122 A125 W136 V137 F138 V139L84-I97 HydrophobicContact CD1-CG2 3.51Å; L84-I97 HydrophobicContact CD2-CG2 4.41Å; L84-I97 HydrophobicContact CG-CG2 3.71Å; R85-I97 CarbonylContact O-C 3.55Å; R85-I97 WeakPolarHBondContact O-CA 3.36Å; I97-T121 HydrophobicContact CD1-CG2 4.32Å; I97-T121 HydrophobicContact CG1-CG2 4.41Å; I97-T121 HydrophobicContact CG2-CG2 3.62Å; I97-I122 HydrophobicContact CD1-CG2 4.01Å; I97-A125 HydrophobicContact CD1-CB 3.86Å; I97-A125 HydrophobicContact CG1-CB 4.3Å; I97-W136 HydrophobicContact CD1-CB 4.1Å; I97-W136 HydrophobicContact CD1-CG 4.03Å; I97-V137 PolarHBondContact N-O 2.92Å; I97-F138 HydrophobicContact CB-CD1 3.69Å; I97-F138 HydrophobicContact CB-CE1 3.82Å; I97-F138 HydrophobicContact CD1-CD1 4.4Å; I97-F138 HydrophobicContact CD1-CE1 3.79Å; I97-F138 HydrophobicContact CD1-CZ 4.35Å; I97-F138 HydrophobicContact CG1-CE1 4.41Å; I97-F138 HydrophobicContact CG2-CD1 3.86Å; I97-F138 HydrophobicContact CG2-CE1 3.72Å; I97-F138 CarbonylContact O-C 3.6Å; I97-F138 WeakPolarHBondContact O-CA 3.48Å; I97-V139 PolarHBondContact O-N 2.91Å
98Y98.8Very high91.3Very high0 Ų030.5 Ų30.50%016%0.164CC..EExtended strand (participates in β ladder)trans-103.2139.9-177.4176.7-99.7000111.7L84 R85 S100 V139 D141 W225 L226 N233L84-Y98 CarbonylContact C-O 3.57Å; L84-Y98 VanDerWaalsContact CA-O 3.31Å; L84-Y98 WeakPolarHBondContact CA-O 3.41Å; R85-Y98 PolarHBondContact N-O 3.44Å; R85-Y98 PolarHBondContact O-N 3.35Å; Y98-S100 WeakPolarHBondContact OH-CB 3.4Å; Y98-V139 CarbonylContact C-O 3.56Å; Y98-V139 VanDerWaalsContact CA-O 3.28Å; Y98-V139 WeakPolarHBondContact CA-O 3.41Å; Y98-V139 HydrophobicContact CD2-CB 4.06Å; Y98-V139 HydrophobicContact CD2-CG1 3.95Å; Y98-V139 WeakPolarHBondContact CD2-O 3.36Å; Y98-V139 HydrophobicContact CE2-CG1 4.32Å; Y98-D141 HydrophobicContact CE2-CB 4.08Å; Y98-D141 PolarHBondContact OH-OD2 2.96Å; Y98-W225 AromaticContact CD1-CH2 3.76Å; Y98-W225 HydrophobicContact CD1-CH2 3.76Å; Y98-W225 AromaticContact CD1-CZ3 3.97Å; Y98-W225 HydrophobicContact CD1-CZ3 3.97Å; Y98-W225 HydrophobicContact CD2-CZ3 4.22Å; Y98-W225 HydrophobicContact CE1-CH2 4.04Å; Y98-W225 HydrophobicContact CE1-CZ3 4.25Å; Y98-W225 HydrophobicContact CG-CH2 4.16Å; Y98-W225 AromaticContact CG-CZ3 3.94Å; Y98-W225 HydrophobicContact CG-CZ3 3.94Å; Y98-L226 HydrophobicContact CD2-CD2 3.66Å; Y98-L226 HydrophobicContact CE2-CD2 3.92Å; Y98-N233 PolarHBondContact OH-ND2 3.12Å
99A97.3Very high89.9Confident13 Ų1331.4 Ų31.411%0.10717%0.169CC..EExtended strand (participates in β ladder)trans-135.7150.216700000110.7L84 V139 D141L84-A99 HydrophobicContact CB-CB 4.24Å; L84-A99 HydrophobicContact CD1-CB 3.7Å; A99-V139 PolarHBondContact N-O 2.97Å; A99-D141 PolarHBondContact O-N 3.03Å
100S94.7Very high88.8Confident0 Ų035.9 Ų35.90%019%0.192CC..EExtended strand (participates in β ladder)trans-140.1125172.2172.10000109.8S83 Y98 S102 Q103 A104 D141 N233S83-S100 PolarHBondContact OG-N 3.28Å; S83-S100 PolarHBondContact OG-O 3.34Å; S83-S100 VanDerWaalsContact OG-O 3.08Å; Y98-S100 WeakPolarHBondContact OH-CB 3.4Å; S100-S102 PolarHBondContact O-N 2.76Å; S100-S102 PolarHBondContact OG-N 3.29Å; S100-Q103 WeakPolarHBondContact O-CB 3.3Å; S100-Q103 PolarHBondContact O-N 3.49Å; S100-A104 PolarHBondContact O-N 2.99Å; S100-D141 WeakPolarHBondContact CA-O 3.24Å; S100-N233 WeakPolarHBondContact CB-ND2 3.04Å; S100-N233 PolarHBondContact OG-ND2 3.06Å
101F91.5Very high88Confident38 Ų3836.5 Ų36.517%0.16720%0.196CC..THydrogen-bonded Turntrans-65.2-26.7176.4-69.7-83.8000112.1Q103 A104 I140 D141 M145 S149 C150F101-Q103 PolarHBondContact O-N 2.65Å; F101-A104 PolarHBondContact O-N 3.21Å; F101-I140 HydrophobicContact CE2-CG2 3.9Å; F101-D141 WeakPolarHBondContact CD2-O 3.48Å; F101-D141 PolarHBondContact N-O 3.4Å; F101-M145 HydrophobicContact CB-CB 4.15Å; F101-M145 HydrophobicContact CD1-CB 4.25Å; F101-M145 HydrophobicContact CD1-CG 4.17Å; F101-M145 HydrophobicContact CD2-CB 3.63Å; F101-M145 HydrophobicContact CD2-CG 3.97Å; F101-M145 HydrophobicContact CD2-SD 4.25Å; F101-M145 HydrophobicContact CE1-CG 4.1Å; F101-M145 HydrophobicContact CE2-CB 4.03Å; F101-M145 HydrophobicContact CE2-CG 3.87Å; F101-M145 HydrophobicContact CE2-SD 3.64Å; F101-M145 HydrophobicContact CG-CB 3.73Å; F101-M145 HydrophobicContact CG-CG 4.09Å; F101-M145 HydrophobicContact CZ-CG 3.94Å; F101-M145 HydrophobicContact CZ-SD 3.81Å; F101-S149 WeakPolarHBondContact CD1-OG 3.34Å; F101-C150 HydrophobicContact CE1-CB 3.43Å; F101-C150 VanDerWaalsContact CE1-CB 3.43Å; F101-C150 HydrophobicContact CZ-CB 3.56Å
102S89.8Confident87.6Confident22 Ų2235.9 Ų35.915%0.15420%0.197CC..THydrogen-bonded Turntrans-72.3-12.8172.4-64.50000113.4S100 T143 R236S100-S102 PolarHBondContact O-N 2.76Å; S100-S102 PolarHBondContact OG-N 3.29Å; S102-T143 PolarHBondContact N-O 3.42Å; S102-T143 VanDerWaalsContact OG-C 3.22Å; S102-T143 PolarHBondContact OG-O 3.31Å; S102-R236 PolarHBondContact O-NH1 3.31Å
103Q90.8Very high87.4Confident0 Ų035.1 Ų35.10%019%0.185CC..THydrogen-bonded Turntrans-100.8-19.5175.9-69-171.7-33.200113.5R85 S100 F101 E229 Y242 F245R85-Q103 VanDerWaalsContact NH2-OE1 3.16Å; S100-Q103 WeakPolarHBondContact O-CB 3.3Å; S100-Q103 PolarHBondContact O-N 3.49Å; F101-Q103 PolarHBondContact O-N 2.65Å; Q103-E229 PolarHBondContact NE2-OE2 3.44Å; Q103-Y242 VanDerWaalsContact O-CE2 3.25Å; Q103-Y242 WeakPolarHBondContact O-CE2 3.48Å; Q103-Y242 PolarHBondContact O-OH 2.99Å; Q103-F245 HydrophobicContact CB-CD1 4.19Å
104A89Confident87.2Confident20 Ų2034.7 Ų34.717%0.16518%0.179CC..  trans-76.7136.8172.300000109.9S100 F101S100-A104 PolarHBondContact O-N 2.99Å; F101-A104 PolarHBondContact O-N 3.21Å
105I79.8Confident87.1Confident23 Ų2333.6 Ų33.612%0.11818%0.176CC..  trans-81.7-33.1172.1-67.4162.6000110.4P79 G80 N107 Y242 L300P79-I105 WeakPolarHBondContact O-CD1 3.43Å; G80-I105 PolarHBondContact O-N 3.3Å; I105-N107 PolarHBondContact O-N 2.88Å; I105-N107 VanDerWaalsContact O-N 3.16Å; I105-Y242 HydrophobicContact CD1-CD1 4.35Å; I105-Y242 HydrophobicContact CD1-CD2 4.44Å; I105-Y242 HydrophobicContact CD1-CE1 3.91Å; I105-Y242 HydrophobicContact CD1-CE2 4.03Å; I105-Y242 HydrophobicContact CG1-CD2 3.83Å; I105-Y242 HydrophobicContact CG1-CE1 4.22Å; I105-Y242 HydrophobicContact CG1-CE2 3.4Å; I105-Y242 VanDerWaalsContact CG1-CE2 3.4Å; I105-Y242 HydrophobicContact CG1-CG 4.42Å; I105-L300 HydrophobicContact CB-CD2 4.49Å; I105-L300 HydrophobicContact CD1-CD1 3.27Å; I105-L300 HydrophobicContact CD1-CD2 3.97Å; I105-L300 HydrophobicContact CD1-CG 4.24Å; I105-L300 HydrophobicContact CG1-CD1 3.82Å; I105-L300 HydrophobicContact CG1-CD2 4.22Å; I105-L300 HydrophobicContact CG2-CD2 3.48Å; I105-L300 VanDerWaalsContact CG2-CD2 3.48Å
106S70.7Confident87Confident25 Ų2535.3 Ų35.318%0.17519%0.187CC..  trans-63.6116.8-179179.20000110.4T81 R108 N109T81-S106 WeakPolarHBondContact O-CB 3.48Å; S106-R108 VanDerWaalsContact OG-C 3.25Å; S106-R108 PolarHBondContact OG-N 3.08Å; S106-R108 PolarHBondContact OG-O 2.7Å; S106-R108 VanDerWaalsContact OG-O 3.13Å; S106-N109 WeakPolarHBondContact CB-OD1 3.35Å; S106-N109 PolarHBondContact OG-OD1 3.1Å
107N68Low86.9Confident52 Ų5235.4 Ų35.428%0.27819%0.187SC..SBendtrans-88.2-9.8171.167.1-1000112.5I105 T148 S149 H304I105-N107 PolarHBondContact O-N 2.88Å; I105-N107 VanDerWaalsContact O-N 3.16Å; N107-T148 CarbonylContact O-C 3.35Å; N107-T148 WeakPolarHBondContact O-CB 3.12Å; N107-T148 PolarHBondContact O-OG1 3.12Å; N107-S149 WeakPolarHBondContact O-CA 3.5Å; N107-S149 PolarHBondContact O-N 3.25Å; N107-S149 VanDerWaalsContact O-N 3.12Å; N107-H304 PolarHBondContact ND2-ND1 2.96Å
108R71.6Confident86.9Confident139 Ų13935.9 Ų35.953%0.52519%0.19SC..SBendtrans-140.594.9178.1-83-176.2179.4-121.31.1109.4S106 M110 T148S106-R108 VanDerWaalsContact OG-C 3.25Å; S106-R108 PolarHBondContact OG-N 3.08Å; S106-R108 PolarHBondContact OG-O 2.7Å; S106-R108 VanDerWaalsContact OG-O 3.13Å; R108-M110 PolarHBondContact O-N 2.96Å; R108-T148 WeakPolarHBondContact CA-O 3.41Å; R108-T148 HydrophobicContact CG-CG2 4.42Å
109N70.3Confident86.9Confident19 Ų1936 Ų3610%0.10219%0.19CC..  trans-74.4112.4175.2-75.7-42000109.7S106 S111 A114 S149 L154S106-N109 WeakPolarHBondContact CB-OD1 3.35Å; S106-N109 PolarHBondContact OG-OD1 3.1Å; N109-S111 PolarHBondContact O-N 3.06Å; N109-A114 HydrophobicContact CB-CB 4.12Å; N109-S149 PolarHBondContact ND2-O 3.4Å; N109-L154 HydrophobicContact CB-CD2 3.82Å
110M75.2Confident86.9Confident131 Ų13135.8 Ų35.865%0.64519%0.187SC*.  trans-64.6126.6166.4-66.2-173.462.200108.3R108 N112 D113 A114R108-M110 PolarHBondContact O-N 2.96Å; M110-N112 VanDerWaalsContact C-N 3.27Å; M110-N112 PolarHBondContact O-N 3.39Å; M110-N112 VanDerWaalsContact O-N 3.16Å; M110-D113 HydrophobicContact CB-CB 4.5Å; M110-D113 PolarHBondContact O-N 3.17Å; M110-A114 PolarHBondContact O-N 2.98Å; M110-A114 VanDerWaalsContact O-N 3.11Å
111S79.6Confident87.1Confident21 Ų2136.1 Ų36.115%0.14719%0.189CC..Hα-helixtrans-48.9-47-174.8-70.40000113.6N109 D113 A114 I115 E157N109-S111 PolarHBondContact O-N 3.06Å; S111-D113 VanDerWaalsContact C-N 3.33Å; S111-D113 PolarHBondContact O-N 3.39Å; S111-A114 PolarHBondContact O-N 3.37Å; S111-I115 VanDerWaalsContact O-CB 3.29Å; S111-I115 WeakPolarHBondContact O-CB 3.46Å; S111-I115 WeakPolarHBondContact O-CD1 3.4Å; S111-I115 WeakPolarHBondContact O-CG1 3.41Å; S111-I115 PolarHBondContact O-N 2.97Å; S111-E157 WeakPolarHBondContact CB-OE2 3.42Å; S111-E157 PolarHBondContact OG-OE2 2.95Å
112N86.9Confident87.5Confident123 Ų12334.3 Ų34.366%0.65818%0.181SC*.Hα-helixtrans-61.6-39.9-177.7-68-11.1000112.5M110 T116M110-N112 VanDerWaalsContact C-N 3.27Å; M110-N112 PolarHBondContact O-N 3.39Å; M110-N112 VanDerWaalsContact O-N 3.16Å; N112-T116 VanDerWaalsContact O-CB 3.28Å; N112-T116 WeakPolarHBondContact O-CB 3.39Å; N112-T116 PolarHBondContact O-N 3.21Å; N112-T116 PolarHBondContact O-OG1 2.9Å
113D90.2Very high87.9Confident47 Ų4733.5 Ų33.525%0.25117%0.174SC..Hα-helixtrans-73.2-42.9-177.8-69.1-13.7000111.4N74 H82 M110 S111 T116 H117N74-D113 HydrophobicContact CB-CB 4.38Å; N74-D113 PolarHBondContact ND2-OD2 3Å; H82-D113 PolarHBondContact CE1-O 3.22Å; M110-D113 HydrophobicContact CB-CB 4.5Å; M110-D113 PolarHBondContact O-N 3.17Å; S111-D113 VanDerWaalsContact C-N 3.33Å; S111-D113 PolarHBondContact O-N 3.39Å; D113-T116 PolarHBondContact O-N 3.24Å; D113-H117 WeakPolarHBondContact O-CB 3.12Å; D113-H117 PolarHBondContact O-N 2.93Å
114A93Very high88.2Confident13 Ų1333.8 Ų33.811%0.10718%0.176CC..Hα-helixtrans-65.9-38.8176.900000111.9H82 N109 M110 S111 H117 L118 L154H82-A114 WeakPolarHBondContact NE2-CA 3.37Å; N109-A114 HydrophobicContact CB-CB 4.12Å; M110-A114 PolarHBondContact O-N 2.98Å; M110-A114 VanDerWaalsContact O-N 3.11Å; S111-A114 PolarHBondContact O-N 3.37Å; A114-H117 PolarHBondContact O-N 3.42Å; A114-L118 WeakPolarHBondContact O-CB 3.46Å; A114-L118 PolarHBondContact O-N 3.2Å; A114-L154 HydrophobicContact CB-CD1 3.72Å; A114-L154 HydrophobicContact CB-CD2 4.41Å
115I95.5Very high88.7Confident19 Ų1932.8 Ų32.810%0.09717%0.168CC..Hα-helixtrans-68.3-41.6174.9-69.3164.9000110.8S111 H117 L118 I119 E157 I161S111-I115 VanDerWaalsContact O-CB 3.29Å; S111-I115 WeakPolarHBondContact O-CB 3.46Å; S111-I115 WeakPolarHBondContact O-CD1 3.4Å; S111-I115 WeakPolarHBondContact O-CG1 3.41Å; S111-I115 PolarHBondContact O-N 2.97Å; I115-H117 VanDerWaalsContact C-N 3.31Å; I115-H117 PolarHBondContact O-N 3.12Å; I115-L118 WeakPolarHBondContact O-CB 3.33Å; I115-L118 PolarHBondContact O-N 3.19Å; I115-I119 HydrophobicContact CG2-CD1 3.83Å; I115-I119 HydrophobicContact CG2-CG1 4.42Å; I115-I119 VanDerWaalsContact O-CG1 3.31Å; I115-I119 WeakPolarHBondContact O-CG1 3.38Å; I115-I119 PolarHBondContact O-N 3Å; I115-E157 HydrophobicContact CD1-CB 3.64Å; I115-I161 HydrophobicContact CG2-CG1 3.97Å
116T96.2Very high89.5Confident36 Ų3632.8 Ų32.822%0.22117%0.168CC..Hα-helixtrans-59.2-45.1174.7-61.30000110.6T70 N112 D113 I119 Y120T70-T116 HydrophobicContact CG2-CG2 3.7Å; T70-T116 WeakPolarHBondContact CG2-O 3Å; N112-T116 VanDerWaalsContact O-CB 3.28Å; N112-T116 WeakPolarHBondContact O-CB 3.39Å; N112-T116 PolarHBondContact O-N 3.21Å; N112-T116 PolarHBondContact O-OG1 2.9Å; D113-T116 PolarHBondContact O-N 3.24Å; T116-I119 PolarHBondContact O-N 2.89Å; T116-Y120 PolarHBondContact O-N 3.38Å
117H97.5Very high90.7Very high3 Ų334.2 Ų34.21%0.01417%0.171CC..Hα-helixtrans-64.4-42.7175.9-170.276.7000112.4C72 H82 L84 D113 A114 I115 I119 Y120 T121 H280C72-H117 HydrophobicContact CB-CB 4.27Å; H82-H117 HydrophobicContact CB-CB 4.36Å; H82-H117 VanDerWaalsContact CB-CD2 3.48Å; H82-H117 WeakPolarHBondContact CB-CD2 3.46Å; H82-H117 AromaticContact CG-CD2 3.93Å; H82-H117 AromaticContact CG-CG 3.65Å; H82-H117 AromaticContact ND1-CG 3.54Å; H82-H117 AromaticContact ND1-ND1 3.8Å; L84-H117 PolarHBondContact O-NE2 3.2Å; D113-H117 WeakPolarHBondContact O-CB 3.12Å; D113-H117 PolarHBondContact O-N 2.93Å; A114-H117 PolarHBondContact O-N 3.42Å; I115-H117 VanDerWaalsContact C-N 3.31Å; I115-H117 PolarHBondContact O-N 3.12Å; H117-I119 PolarHBondContact O-N 3.42Å; H117-Y120 WeakPolarHBondContact O-CB 3.27Å; H117-Y120 PolarHBondContact O-N 3.37Å; H117-T121 PolarHBondContact O-N 2.68Å; H117-T121 PolarHBondContact O-OG1 3.42Å; H117-H280 AromaticContact CE1-CD2 3.45Å; H117-H280 PolarHBondContact CE1-CD2 2.84Å; H117-H280 VanDerWaalsContact CE1-CD2 3.45Å; H117-H280 AromaticContact CE1-NE2 3.13Å; H117-H280 PolarHBondContact CE1-NE2 2.92Å; H117-H280 AromaticContact NE2-CD2 3.7Å; H117-H280 AromaticContact NE2-NE2 3.55Å
118L98.2Very high92Very high10 Ų1031.9 Ų31.95%0.05216%0.159CC..Hα-helixtrans-56.6-49.2174172.563.9000111.3L84 A114 I115 T121 I122 F138 C158 M162L84-L118 HydrophobicContact CD2-CB 4.4Å; L84-L118 HydrophobicContact CD2-CD1 3.8Å; A114-L118 WeakPolarHBondContact O-CB 3.46Å; A114-L118 PolarHBondContact O-N 3.2Å; I115-L118 WeakPolarHBondContact O-CB 3.33Å; I115-L118 PolarHBondContact O-N 3.19Å; L118-T121 PolarHBondContact O-N 3.08Å; L118-I122 HydrophobicContact CD1-CG2 3.88Å; L118-I122 HydrophobicContact CG-CD1 4.43Å; L118-I122 WeakPolarHBondContact O-CG1 3.29Å; L118-I122 PolarHBondContact O-N 2.85Å; L118-F138 HydrophobicContact CD1-CE1 4.46Å; L118-F138 HydrophobicContact CD1-CZ 4.09Å; L118-C158 HydrophobicContact CD2-CB 3.78Å; L118-M162 HydrophobicContact CD2-CE 4.49Å; L118-M162 HydrophobicContact CD2-CG 4.4Å; L118-M162 HydrophobicContact CD2-SD 4.48Å
119I98.7Very high93.2Very high1 Ų126.6 Ų26.61%0.00514%0.14CC..Hα-helixtrans-61.6-46.3179.6-67.2165000110.5W61 F65 P67 T70 I115 T116 H117 T121 I122 E123 I161W61-I119 HydrophobicContact CH2-CD1 4.29Å; W61-I119 HydrophobicContact CZ2-CD1 3.97Å; F65-I119 HydrophobicContact CD1-CD1 4.44Å; F65-I119 HydrophobicContact CE1-CD1 3.57Å; F65-I119 HydrophobicContact CE1-CG2 4.08Å; F65-I119 HydrophobicContact CZ-CD1 3.78Å; P67-I119 HydrophobicContact CB-CG2 3.62Å; T70-I119 HydrophobicContact CG2-CB 4.31Å; T70-I119 HydrophobicContact CG2-CG2 4.15Å; I115-I119 HydrophobicContact CG2-CD1 3.83Å; I115-I119 HydrophobicContact CG2-CG1 4.42Å; I115-I119 VanDerWaalsContact O-CG1 3.31Å; I115-I119 WeakPolarHBondContact O-CG1 3.38Å; I115-I119 PolarHBondContact O-N 3Å; T116-I119 PolarHBondContact O-N 2.89Å; H117-I119 PolarHBondContact O-N 3.42Å; I119-T121 VanDerWaalsContact C-N 3.31Å; I119-T121 PolarHBondContact O-N 3.38Å; I119-I122 WeakPolarHBondContact O-CG1 3.49Å; I119-I122 PolarHBondContact O-N 2.61Å; I119-E123 HydrophobicContact CG2-CG 4.13Å; I119-E123 WeakPolarHBondContact O-CB 3.34Å; I119-E123 WeakPolarHBondContact O-CG 3.49Å; I119-E123 PolarHBondContact O-N 3.14Å; I119-I161 HydrophobicContact CD1-CG2 4.12Å; I119-I161 HydrophobicContact CG1-CG2 4.05Å
120Y98.5Very high94.3Very high10 Ų1033.5 Ų33.54%0.03917%0.169CC..Hα-helixtrans-52.7-49.7173.3173-86.1000111.5T70 T116 H117 N124 L278 P279 P281T70-Y120 WeakPolarHBondContact O-CD2 3.32Å; T116-Y120 PolarHBondContact O-N 3.38Å; H117-Y120 WeakPolarHBondContact O-CB 3.27Å; H117-Y120 PolarHBondContact O-N 3.37Å; Y120-N124 WeakPolarHBondContact CE2-ND2 3.36Å; Y120-N124 PolarHBondContact O-N 3.45Å; Y120-N124 VanDerWaalsContact O-N 3.15Å; Y120-N124 PolarHBondContact O-ND2 2.97Å; Y120-L278 VanDerWaalsContact OH-CB 3.22Å; Y120-L278 WeakPolarHBondContact OH-CB 3.28Å; Y120-P279 WeakPolarHBondContact CE1-O 3.29Å; Y120-P279 PolarHBondContact OH-O 3.29Å; Y120-P281 HydrophobicContact CD1-CG 4.11Å; Y120-P281 HydrophobicContact CE1-CG 3.78Å; Y120-P281 HydrophobicContact CE2-CG 4.37Å
121T98.8Very high95Very high7 Ų733.5 Ų33.54%0.04318%0.182CC..Hα-helixtrans-65.9-46.6-176.6-56.80000111.8L84 I97 H117 L118 I119 N124 A125L84-T121 HydrophobicContact CD2-CG2 4.27Å; L84-T121 HydrophobicContact CG-CG2 4.22Å; L84-T121 PolarHBondContact O-OG1 3.03Å; I97-T121 HydrophobicContact CD1-CG2 4.32Å; I97-T121 HydrophobicContact CG1-CG2 4.41Å; I97-T121 HydrophobicContact CG2-CG2 3.62Å; H117-T121 PolarHBondContact O-N 2.68Å; H117-T121 PolarHBondContact O-OG1 3.42Å; L118-T121 PolarHBondContact O-N 3.08Å; I119-T121 VanDerWaalsContact C-N 3.31Å; I119-T121 PolarHBondContact O-N 3.38Å; T121-N124 PolarHBondContact O-N 3.03Å; T121-A125 WeakPolarHBondContact O-CB 3.4Å; T121-A125 PolarHBondContact O-N 2.85Å
122I98.6Very high95.6Very high0 Ų035.2 Ų35.20%020%0.203CC..Hα-helixtrans-72.9-33-176.866.5-171.4000112.5I97 L118 I119 A125 I126 W136 F138 Y166I97-I122 HydrophobicContact CD1-CG2 4.01Å; L118-I122 HydrophobicContact CD1-CG2 3.88Å; L118-I122 HydrophobicContact CG-CD1 4.43Å; L118-I122 WeakPolarHBondContact O-CG1 3.29Å; L118-I122 PolarHBondContact O-N 2.85Å; I119-I122 WeakPolarHBondContact O-CG1 3.49Å; I119-I122 PolarHBondContact O-N 2.61Å; I122-A125 PolarHBondContact O-N 3.44Å; I122-I126 VanDerWaalsContact O-CG1 3.27Å; I122-I126 WeakPolarHBondContact O-CG1 3.42Å; I122-I126 PolarHBondContact O-N 3.3Å; I122-W136 HydrophobicContact CB-CE3 4.49Å; I122-W136 HydrophobicContact CB-CH2 3.84Å; I122-W136 HydrophobicContact CB-CZ2 4.2Å; I122-W136 HydrophobicContact CB-CZ3 4.01Å; I122-W136 HydrophobicContact CD1-CH2 4.18Å; I122-W136 HydrophobicContact CD1-CZ2 4.47Å; I122-W136 HydrophobicContact CG1-CH2 4.36Å; I122-W136 HydrophobicContact CG2-CH2 4.18Å; I122-W136 HydrophobicContact CG2-CZ2 4.02Å; I122-F138 HydrophobicContact CG2-CZ 4.16Å; I122-Y166 HydrophobicContact CD1-CD1 4.05Å; I122-Y166 HydrophobicContact CD1-CD2 3.76Å; I122-Y166 HydrophobicContact CD1-CE1 3.85Å; I122-Y166 HydrophobicContact CD1-CE2 3.56Å; I122-Y166 HydrophobicContact CD1-CG 4Å; I122-Y166 HydrophobicContact CG1-CD1 4.48Å; I122-Y166 HydrophobicContact CG1-CE1 4.01Å; I122-Y166 HydrophobicContact CG1-CE2 4.46Å
123E98Very high96.1Very high4 Ų430.7 Ų30.72%0.01918%0.18CC..Hα-helixtrans-64.9-40.8172.8-74.4-67.7153.500111.4R62 P67 I119 I126 K127 Y166R62-E123 IonicContact CZ-OE1 3.42Å; R62-E123 IonicContact NH1-OE1 3.53Å; R62-E123 PolarHBondContact NH1-OE1 3.09Å; R62-E123 IonicContact NH1-OE2 3.92Å; R62-E123 IonicContact NH2-OE1 3.28Å; P67-E123 HydrophobicContact CB-CG 3.94Å; I119-E123 HydrophobicContact CG2-CG 4.13Å; I119-E123 WeakPolarHBondContact O-CB 3.34Å; I119-E123 WeakPolarHBondContact O-CG 3.49Å; I119-E123 PolarHBondContact O-N 3.14Å; E123-I126 PolarHBondContact O-N 3.14Å; E123-K127 WeakPolarHBondContact O-CG 3.14Å; E123-K127 PolarHBondContact O-N 2.8Å; E123-Y166 WeakPolarHBondContact OE1-CE1 3.35Å; E123-Y166 VanDerWaalsContact OE1-CZ 3.27Å; E123-Y166 PolarHBondContact OE1-OH 3.03Å
124N98.1Very high96.4Very high6 Ų629.8 Ų29.83%0.03218%0.176CC..Hα-helixtrans-70.8-33.3173.9-75.9-62.5000112.5Y120 T121 I126 K127 S128 H277 L278Y120-N124 WeakPolarHBondContact CE2-ND2 3.36Å; Y120-N124 PolarHBondContact O-N 3.45Å; Y120-N124 VanDerWaalsContact O-N 3.15Å; Y120-N124 PolarHBondContact O-ND2 2.97Å; T121-N124 PolarHBondContact O-N 3.03Å; N124-I126 VanDerWaalsContact C-N 3.34Å; N124-I126 PolarHBondContact O-N 2.67Å; N124-K127 WeakPolarHBondContact O-CB 3.34Å; N124-K127 PolarHBondContact O-N 2.91Å; N124-K127 PolarHBondContact OD1-NZ 2.79Å; N124-K127 VanDerWaalsContact OD1-NZ 3.12Å; N124-S128 PolarHBondContact O-N 2.9Å; N124-H277 PolarHBondContact O-ND1 3.49Å; N124-L278 WeakPolarHBondContact CB-O 3.31Å; N124-L278 PolarHBondContact OD1-N 3.25Å
125A98.5Very high96.7Very high0 Ų031.4 Ų31.40%018%0.182CC..Hα-helixtrans-62.3-41.6171.500000111.4P95 I97 T121 I122 K127 S128 M129P95-A125 HydrophobicContact CB-CB 3.98Å; P95-A125 HydrophobicContact CG-CB 4.28Å; P95-A125 WeakPolarHBondContact CG-O 3.31Å; I97-A125 HydrophobicContact CD1-CB 3.86Å; I97-A125 HydrophobicContact CG1-CB 4.3Å; T121-A125 WeakPolarHBondContact O-CB 3.4Å; T121-A125 PolarHBondContact O-N 2.85Å; I122-A125 PolarHBondContact O-N 3.44Å; A125-K127 VanDerWaalsContact C-N 3.3Å; A125-K127 PolarHBondContact O-N 3.44Å; A125-S128 WeakPolarHBondContact O-CB 3.47Å; A125-S128 PolarHBondContact O-N 3.39Å; A125-S128 PolarHBondContact O-OG 2.96Å; A125-M129 PolarHBondContact O-N 2.89Å
126I96.8Very high96.8Very high22 Ų2230.6 Ų30.611%0.11318%0.177CC..Hα-helixtrans-58.8-40.6174.2-68.9163.9000111.2I122 E123 N124 S128 M129 W136 Y166I122-I126 VanDerWaalsContact O-CG1 3.27Å; I122-I126 WeakPolarHBondContact O-CG1 3.42Å; I122-I126 PolarHBondContact O-N 3.3Å; E123-I126 PolarHBondContact O-N 3.14Å; N124-I126 VanDerWaalsContact C-N 3.34Å; N124-I126 PolarHBondContact O-N 2.67Å; I126-S128 PolarHBondContact O-N 2.87Å; I126-M129 HydrophobicContact CG1-CE 4.38Å; I126-M129 WeakPolarHBondContact O-CB 3.37Å; I126-M129 PolarHBondContact O-N 2.84Å; I126-W136 HydrophobicContact CD1-CZ3 4.01Å; I126-W136 HydrophobicContact CG1-CE3 4.4Å; I126-W136 HydrophobicContact CG1-CZ3 3.87Å; I126-Y166 HydrophobicContact CD1-CD1 4.03Å; I126-Y166 HydrophobicContact CD1-CE1 3.86Å
127K95.6Very high96.9Very high56 Ų5628.9 Ų28.924%0.24317%0.167CC..Hα-helixtrans-63-24.5175.9-64.6174.4-168.41680113E123 N124 A125 T275 Q276 H277E123-K127 WeakPolarHBondContact O-CG 3.14Å; E123-K127 PolarHBondContact O-N 2.8Å; N124-K127 WeakPolarHBondContact O-CB 3.34Å; N124-K127 PolarHBondContact O-N 2.91Å; N124-K127 PolarHBondContact OD1-NZ 2.79Å; N124-K127 VanDerWaalsContact OD1-NZ 3.12Å; A125-K127 VanDerWaalsContact C-N 3.3Å; A125-K127 PolarHBondContact O-N 3.44Å; K127-T275 WeakPolarHBondContact O-CB 3.45Å; K127-T275 PolarHBondContact O-OG1 2.85Å; K127-Q276 WeakPolarHBondContact CD-O 3.37Å; K127-H277 HydrophobicContact CB-CB 4.32Å
128S96.5Very high97Very high3 Ų329.4 Ų29.42%0.02117%0.169CC..Hα-helixtrans-86.6-10.3178.478.70000114.6Q86 P95 N124 A125 I126 W268Q86-S128 PolarHBondContact NE2-OG 2.87Å; Q86-S128 PolarHBondContact OE1-OG 2.66Å; P95-S128 VanDerWaalsContact CG-OG 3.29Å; P95-S128 WeakPolarHBondContact CG-OG 3.5Å; N124-S128 PolarHBondContact O-N 2.9Å; A125-S128 WeakPolarHBondContact O-CB 3.47Å; A125-S128 PolarHBondContact O-N 3.39Å; A125-S128 PolarHBondContact O-OG 2.96Å; I126-S128 PolarHBondContact O-N 2.87Å; S128-W268 VanDerWaalsContact CA-CH2 3.49Å; S128-W268 VanDerWaalsContact CB-CH2 3.45Å; S128-W268 VanDerWaalsContact CB-CZ3 3.43Å
129M96Very high97Very high27 Ų2729 Ų2913%0.13317%0.167CC..PPolyproline II helixtrans-71.8132.6-178.1-68.8177.6-175.100111.4P95 A125 I126 V133 Q135 W136P95-M129 HydrophobicContact CG-CE 4.03Å; P95-M129 HydrophobicContact CG-CG 3.77Å; A125-M129 PolarHBondContact O-N 2.89Å; I126-M129 HydrophobicContact CG1-CE 4.38Å; I126-M129 WeakPolarHBondContact O-CB 3.37Å; I126-M129 PolarHBondContact O-N 2.84Å; M129-V133 HydrophobicContact CB-CB 4.2Å; M129-V133 HydrophobicContact CB-CG1 4.25Å; M129-V133 HydrophobicContact CG-CB 4.5Å; M129-V133 HydrophobicContact CG-CG1 4.01Å; M129-V133 HydrophobicContact SD-CG1 4.42Å; M129-Q135 VanDerWaalsContact CE-C 3.49Å; M129-Q135 WeakPolarHBondContact CE-O 3.43Å; M129-W136 HydrophobicContact CE-CB 4.14Å; M129-W136 HydrophobicContact CE-CD2 4.48Å; M129-W136 HydrophobicContact CE-CE3 3.63Å; M129-W136 HydrophobicContact CE-CZ3 4.47Å
130K93.1Very high97Very high164 Ų16431.1 Ų31.171%0.71318%0.178SC*.PPolyproline II helixtrans-73.7164.1169.6-64178.4-177.21740110.5G132 V133K130-G132 PolarHBondContact O-N 3.42Å; K130-V133 HydrophobicContact CB-CG2 4.39Å; K130-V133 WeakPolarHBondContact O-CB 3.34Å; K130-V133 PolarHBondContact O-N 3.31Å
131S91.2Very high96.9Very high132 Ų13230.6 Ų30.692%0.92318%0.176SC*.THydrogen-bonded Turntrans-53.5137172.8-170.40000111.1V133S131-V133 PolarHBondContact O-N 2.59Å
132G92.4Very high96.7Very high56 Ų5630.6 Ų30.658%0.57718%0.176SC*.THydrogen-bonded Turntrans82.2-18.7-175.200000115.1K130K130-G132 PolarHBondContact O-N 3.42Å
133V96.6Very high96.4Very high28 Ų2831.2 Ų31.217%0.1718%0.179CC..  trans-85.3118174.1-177.50000109.2R94 M129 K130 S131R94-V133 HydrophobicContact CG-CG1 4.08Å; M129-V133 HydrophobicContact CB-CB 4.2Å; M129-V133 HydrophobicContact CB-CG1 4.25Å; M129-V133 HydrophobicContact CG-CB 4.5Å; M129-V133 HydrophobicContact CG-CG1 4.01Å; M129-V133 HydrophobicContact SD-CG1 4.42Å; K130-V133 HydrophobicContact CB-CG2 4.39Å; K130-V133 WeakPolarHBondContact O-CB 3.34Å; K130-V133 PolarHBondContact O-N 3.31Å; S131-V133 PolarHBondContact O-N 2.59Å
134T96.6Very high95.9Very high29 Ų2933.3 Ų33.318%0.17820%0.203CC..  trans-115.2-10.4-179.156.70000113.4E35 R169E35-T134 HydrophobicContact CB-CG2 3.79Å; E35-T134 HydrophobicContact CG-CG2 4.23Å; T134-R169 WeakPolarHBondContact O-CD 3.36Å; T134-R169 PolarHBondContact O-NH1 3.3Å
135Q98.6Very high95.6Very high47 Ų4734.1 Ų34.122%0.2221%0.206CC..  trans-118.8155.9-170.1-68.6-177.3-24.700113R94 P95 M129 E168 R169R94-Q135 VanDerWaalsContact CB-O 3.24Å; R94-Q135 WeakPolarHBondContact CB-O 3.36Å; R94-Q135 HydrophobicContact CG-CB 4.29Å; R94-Q135 WeakPolarHBondContact CG-O 3.45Å; P95-Q135 WeakPolarHBondContact CD-O 3.31Å; M129-Q135 VanDerWaalsContact CE-C 3.49Å; M129-Q135 WeakPolarHBondContact CE-O 3.43Å; Q135-E168 WeakPolarHBondContact CG-O 3.46Å; Q135-E168 PolarHBondContact NE2-O 3.12Å; Q135-R169 CarbonylContact C-O 3.49Å; Q135-R169 WeakPolarHBondContact CA-O 3.49Å; Q135-R169 VanDerWaalsContact CB-O 3.3Å; Q135-R169 WeakPolarHBondContact CB-O 3.24Å
136W98.7Very high95.3Very high2 Ų236.3 Ų36.31%0.00822%0.22CC..EExtended strand (participates in β ladder)trans-116.7168.6167.756.273000111.1P95 I97 I122 I126 M129 F138 Y166 R169 G171P95-W136 HydrophobicContact CB-CB 4.44Å; P95-W136 WeakPolarHBondContact O-CA 3.28Å; I97-W136 HydrophobicContact CD1-CB 4.1Å; I97-W136 HydrophobicContact CD1-CG 4.03Å; I122-W136 HydrophobicContact CB-CE3 4.49Å; I122-W136 HydrophobicContact CB-CH2 3.84Å; I122-W136 HydrophobicContact CB-CZ2 4.2Å; I122-W136 HydrophobicContact CB-CZ3 4.01Å; I122-W136 HydrophobicContact CD1-CH2 4.18Å; I122-W136 HydrophobicContact CD1-CZ2 4.47Å; I122-W136 HydrophobicContact CG1-CH2 4.36Å; I122-W136 HydrophobicContact CG2-CH2 4.18Å; I122-W136 HydrophobicContact CG2-CZ2 4.02Å; I126-W136 HydrophobicContact CD1-CZ3 4.01Å; I126-W136 HydrophobicContact CG1-CE3 4.4Å; I126-W136 HydrophobicContact CG1-CZ3 3.87Å; M129-W136 HydrophobicContact CE-CB 4.14Å; M129-W136 HydrophobicContact CE-CD2 4.48Å; M129-W136 HydrophobicContact CE-CE3 3.63Å; M129-W136 HydrophobicContact CE-CZ3 4.47Å; W136-F138 AromaticContact CD1-CE2 3.8Å; W136-F138 AromaticContact CD1-CZ 3.98Å; W136-F138 AromaticContact NE1-CE2 3.3Å; W136-F138 VanDerWaalsContact NE1-CE2 3.3Å; W136-F138 AromaticContact NE1-CZ 3.55Å; W136-Y166 AromaticContact CH2-CD1 3.7Å; W136-Y166 HydrophobicContact CH2-CD1 3.7Å; W136-Y166 AromaticContact CH2-CG 3.93Å; W136-Y166 HydrophobicContact CH2-CG 3.93Å; W136-Y166 HydrophobicContact CZ3-CD1 4.3Å; W136-R169 HydrophobicContact CD2-CB 4.07Å; W136-R169 HydrophobicContact CE3-CB 3.89Å; W136-R169 HydrophobicContact CE3-CG 4.41Å; W136-R169 HydrophobicContact CH2-CB 3.27Å; W136-R169 HydrophobicContact CH2-CG 3.58Å; W136-R169 HydrophobicContact CZ2-CB 3.43Å; W136-R169 VanDerWaalsContact CZ2-CB 3.43Å; W136-R169 HydrophobicContact CZ2-CG 4.25Å; W136-R169 HydrophobicContact CZ3-CB 3.5Å; W136-R169 VanDerWaalsContact CZ3-CB 3.5Å; W136-R169 HydrophobicContact CZ3-CG 3.66Å; W136-R169 PolarHBondContact N-O 2.9Å; W136-G171 PolarHBondContact O-N 3.48Å
137V98.9Very high95Very high0 Ų036.5 Ų36.50%022%0.222CC..EExtended strand (participates in β ladder)trans-119.4134.91741770000109.3R94 P95 I97 V139 L172 F218R94-V137 HydrophobicContact CB-CG2 4.16Å; P95-V137 PolarHBondContact O-N 3.09Å; I97-V137 PolarHBondContact N-O 2.92Å; V137-V139 HydrophobicContact CG1-CG2 4.39Å; V137-L172 CarbonylContact C-O 3.59Å; V137-L172 VanDerWaalsContact CA-O 3.3Å; V137-L172 WeakPolarHBondContact CA-O 3.46Å; V137-L172 HydrophobicContact CG1-CB 3.97Å; V137-L172 HydrophobicContact CG1-CD2 4.25Å; V137-L172 HydrophobicContact CG1-CG 4.24Å; V137-L172 HydrophobicContact CG2-CB 4.09Å; V137-F218 HydrophobicContact CG1-CE1 3.94Å; V137-F218 HydrophobicContact CG1-CZ 3.97Å
138F98.9Very high94.7Very high14 Ų1435.3 Ų35.36%0.06122%0.22CC..EExtended strand (participates in β ladder)trans-97136.5167.3-72.7-60.6000110.7L84 I97 L118 I122 W136 I140 M162 L170 L172 A173 M174L84-F138 HydrophobicContact CD1-CD1 4.32Å; L84-F138 HydrophobicContact CD1-CE1 4.22Å; I97-F138 HydrophobicContact CB-CD1 3.69Å; I97-F138 HydrophobicContact CB-CE1 3.82Å; I97-F138 HydrophobicContact CD1-CD1 4.4Å; I97-F138 HydrophobicContact CD1-CE1 3.79Å; I97-F138 HydrophobicContact CD1-CZ 4.35Å; I97-F138 HydrophobicContact CG1-CE1 4.41Å; I97-F138 HydrophobicContact CG2-CD1 3.86Å; I97-F138 HydrophobicContact CG2-CE1 3.72Å; I97-F138 CarbonylContact O-C 3.6Å; I97-F138 WeakPolarHBondContact O-CA 3.48Å; L118-F138 HydrophobicContact CD1-CE1 4.46Å; L118-F138 HydrophobicContact CD1-CZ 4.09Å; I122-F138 HydrophobicContact CG2-CZ 4.16Å; W136-F138 AromaticContact CD1-CE2 3.8Å; W136-F138 AromaticContact CD1-CZ 3.98Å; W136-F138 AromaticContact NE1-CE2 3.3Å; W136-F138 VanDerWaalsContact NE1-CE2 3.3Å; W136-F138 AromaticContact NE1-CZ 3.55Å; F138-I140 HydrophobicContact CB-CD1 4.48Å; F138-I140 HydrophobicContact CB-CG1 4.29Å; F138-M162 HydrophobicContact CE2-CE 4.45Å; F138-M162 HydrophobicContact CE2-SD 3.76Å; F138-M162 HydrophobicContact CZ-SD 4.05Å; F138-L170 HydrophobicContact CD2-CD1 3.64Å; F138-L170 HydrophobicContact CE2-CD1 4.17Å; F138-L172 PolarHBondContact N-O 3.36Å; F138-A173 HydrophobicContact CB-CB 4.23Å; F138-A173 CarbonylContact O-C 3.08Å; F138-A173 WeakPolarHBondContact O-CA 3.41Å; F138-M174 PolarHBondContact O-N 3.15Å
139V98.7Very high94.4Very high1 Ų135.5 Ų35.51%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-122.5112164.5-177.50000107.8I96 I97 Y98 A99 V137 M174 V176 F214 F218 L226I96-V139 HydrophobicContact CG2-CG2 3.87Å; I97-V139 PolarHBondContact O-N 2.91Å; Y98-V139 CarbonylContact C-O 3.56Å; Y98-V139 VanDerWaalsContact CA-O 3.28Å; Y98-V139 WeakPolarHBondContact CA-O 3.41Å; Y98-V139 HydrophobicContact CD2-CB 4.06Å; Y98-V139 HydrophobicContact CD2-CG1 3.95Å; Y98-V139 WeakPolarHBondContact CD2-O 3.36Å; Y98-V139 HydrophobicContact CE2-CG1 4.32Å; A99-V139 PolarHBondContact N-O 2.97Å; V137-V139 HydrophobicContact CG1-CG2 4.39Å; V139-M174 CarbonylContact C-O 3.55Å; V139-M174 WeakPolarHBondContact CA-O 3.34Å; V139-M174 HydrophobicContact CG2-CB 4.45Å; V139-V176 HydrophobicContact CG1-CG2 4.16Å; V139-F214 HydrophobicContact CG1-CE1 4.48Å; V139-F218 HydrophobicContact CG2-CE2 3.8Å; V139-F218 HydrophobicContact CG2-CZ 3.58Å; V139-L226 HydrophobicContact CB-CD2 4.44Å; V139-L226 HydrophobicContact CG1-CD2 3.93Å
140I98.1Very high94.1Very high45 Ų4535.3 Ų35.323%0.23122%0.222CC..EExtended strand (participates in β ladder)trans-113.9103.3-173.5-52.9176.6000108F101 F138 C142 M174 C175 V176F101-I140 HydrophobicContact CE2-CG2 3.9Å; F138-I140 HydrophobicContact CB-CD1 4.48Å; F138-I140 HydrophobicContact CB-CG1 4.29Å; I140-C142 PolarHBondContact O-N 2.76Å; I140-M174 PolarHBondContact N-O 3.2Å; I140-C175 CarbonylContact O-C 3.34Å; I140-C175 WeakPolarHBondContact O-CA 3.22Å; I140-V176 PolarHBondContact O-N 3.34Å
141D96.3Very high94.1Very high0 Ų028 Ų280%019%0.19CC..EExtended strand (participates in β ladder)trans-76.5107.3169.1-175-6.1000109.4Y98 A99 S100 F101 T143 N233Y98-D141 HydrophobicContact CE2-CB 4.08Å; Y98-D141 PolarHBondContact OH-OD2 2.96Å; A99-D141 PolarHBondContact O-N 3.03Å; S100-D141 WeakPolarHBondContact CA-O 3.24Å; F101-D141 WeakPolarHBondContact CD2-O 3.48Å; F101-D141 PolarHBondContact N-O 3.4Å; D141-T143 PolarHBondContact O-N 2.93Å; D141-T143 WeakPolarHBondContact OD1-CB 3.34Å; D141-T143 PolarHBondContact OD1-N 2.88Å; D141-T143 PolarHBondContact OD1-OG1 3.47Å; D141-N233 WeakPolarHBondContact OD2-CB 3.24Å; D141-N233 PolarHBondContact OD2-ND2 2.91Å
142C95Very high94.3Very high6 Ų621.8 Ų21.84%0.04115%0.147CC..  trans-822-176.1-58.90000112.6I140 G144 M145 V176 H177 F182I140-C142 PolarHBondContact O-N 2.76Å; C142-G144 PolarHBondContact O-N 3.46Å; C142-M145 WeakPolarHBondContact O-CB 3.41Å; C142-M145 PolarHBondContact O-N 2.75Å; C142-V176 WeakPolarHBondContact CB-O 3.33Å; C142-V176 PolarHBondContact N-O 3.35Å; C142-H177 WeakPolarHBondContact CB-O 3.33Å; C142-F182 WeakPolarHBondContact SG-CD2 3.35Å
143T90.9Very high94.5Very high13 Ų1323.4 Ų23.48%0.0814%0.135CC..THydrogen-bonded Turntrans-58.1122.9174.6-520000109.8S102 D141 N233 R234S102-T143 PolarHBondContact N-O 3.42Å; S102-T143 VanDerWaalsContact OG-C 3.22Å; S102-T143 PolarHBondContact OG-O 3.31Å; D141-T143 PolarHBondContact O-N 2.93Å; D141-T143 WeakPolarHBondContact OD1-CB 3.34Å; D141-T143 PolarHBondContact OD1-N 2.88Å; D141-T143 PolarHBondContact OD1-OG1 3.47Å; T143-N233 HydrophobicContact CG2-CB 4.49Å; T143-R234 HydrophobicContact CG2-CG 4.21Å
144G88.3Confident94.4Very high49 Ų4922.5 Ų22.551%0.50513%0.13SC..THydrogen-bonded Turntrans82.94.6-178.100000115.1C142 T146C142-G144 PolarHBondContact O-N 3.46Å; G144-T146 PolarHBondContact O-N 3.13Å
145M92.3Very high94.3Very high23 Ų2321.9 Ų21.911%0.11313%0.129CC..  trans-65.3131.8175.8-175.6174.7162.600111.2F101 C142 C150 A181 F182 A185F101-M145 HydrophobicContact CB-CB 4.15Å; F101-M145 HydrophobicContact CD1-CB 4.25Å; F101-M145 HydrophobicContact CD1-CG 4.17Å; F101-M145 HydrophobicContact CD2-CB 3.63Å; F101-M145 HydrophobicContact CD2-CG 3.97Å; F101-M145 HydrophobicContact CD2-SD 4.25Å; F101-M145 HydrophobicContact CE1-CG 4.1Å; F101-M145 HydrophobicContact CE2-CB 4.03Å; F101-M145 HydrophobicContact CE2-CG 3.87Å; F101-M145 HydrophobicContact CE2-SD 3.64Å; F101-M145 HydrophobicContact CG-CB 3.73Å; F101-M145 HydrophobicContact CG-CG 4.09Å; F101-M145 HydrophobicContact CZ-CG 3.94Å; F101-M145 HydrophobicContact CZ-SD 3.81Å; C142-M145 WeakPolarHBondContact O-CB 3.41Å; C142-M145 PolarHBondContact O-N 2.75Å; M145-C150 HydrophobicContact CE-CB 3.74Å; M145-C150 VanDerWaalsContact CE-O 3.27Å; M145-C150 WeakPolarHBondContact CE-O 3.27Å; M145-C150 HydrophobicContact SD-CB 4.48Å; M145-A181 HydrophobicContact CG-CB 4.34Å; M145-F182 VanDerWaalsContact CE-CA 3.48Å; M145-F182 HydrophobicContact CE-CB 4.14Å; M145-F182 HydrophobicContact CE-CD2 4.43Å; M145-F182 HydrophobicContact SD-CB 3.71Å; M145-F182 HydrophobicContact SD-CD2 3.94Å; M145-F182 HydrophobicContact SD-CG 4.34Å; M145-A185 HydrophobicContact CE-CB 4.08Å
146T92.1Very high94.2Very high46 Ų4620.2 Ų20.228%0.28212%0.121SC..  trans-120.9163.7172.361.50000110.1G144 T148 S149 C150G144-T146 PolarHBondContact O-N 3.13Å; T146-T148 PolarHBondContact O-N 3.34Å; T146-T148 PolarHBondContact OG1-OG1 3.49Å; T146-T148 VanDerWaalsContact OG1-OG1 3.05Å; T146-S149 PolarHBondContact N-OG 2.86Å; T146-S149 PolarHBondContact O-N 3.48Å; T146-S149 PolarHBondContact O-OG 2.78Å; T146-S149 VanDerWaalsContact O-OG 3.07Å; T146-S149 WeakPolarHBondContact OG1-CB 3.36Å; T146-S149 PolarHBondContact OG1-N 2.79Å; T146-S149 VanDerWaalsContact OG1-N 3.12Å; T146-S149 PolarHBondContact OG1-OG 3Å; T146-C150 PolarHBondContact O-N 3.21Å; T146-C150 VanDerWaalsContact O-N 3.08Å
147T90.5Very high94.1Very high25 Ų2522 Ų2215%0.15313%0.129CC..THydrogen-bonded Turntrans-64.2-24.117550.80000112.1H151 A181 L336 L340T147-H151 VanDerWaalsContact O-CB 3.24Å; T147-H151 WeakPolarHBondContact O-CB 3.35Å; T147-H151 PolarHBondContact O-N 2.98Å; T147-A181 HydrophobicContact CG2-CB 4.12Å; T147-L336 HydrophobicContact CG2-CB 4.22Å; T147-L336 HydrophobicContact CG2-CD2 4.29Å; T147-L340 HydrophobicContact CG2-CD1 4.22Å
148T89.1Confident94Very high32 Ų3223 Ų2320%0.19614%0.136CC..THydrogen-bonded Turntrans-80-34.4174.557.40000112.6N107 R108 T146 F344N107-T148 CarbonylContact O-C 3.35Å; N107-T148 WeakPolarHBondContact O-CB 3.12Å; N107-T148 PolarHBondContact O-OG1 3.12Å; R108-T148 WeakPolarHBondContact CA-O 3.41Å; R108-T148 HydrophobicContact CG-CG2 4.42Å; T146-T148 PolarHBondContact O-N 3.34Å; T146-T148 PolarHBondContact OG1-OG1 3.49Å; T146-T148 VanDerWaalsContact OG1-OG1 3.05Å; T148-F344 HydrophobicContact CG2-CE2 3.78Å; T148-F344 HydrophobicContact CG2-CZ 4.27Å
149S89.4Confident93.9Very high6 Ų623.1 Ų23.14%0.04214%0.14CC..THydrogen-bonded Turntrans-75.4-32.8179.470.50000112.1F101 N107 N109 T146F101-S149 WeakPolarHBondContact CD1-OG 3.34Å; N107-S149 WeakPolarHBondContact O-CA 3.5Å; N107-S149 PolarHBondContact O-N 3.25Å; N107-S149 VanDerWaalsContact O-N 3.12Å; N109-S149 PolarHBondContact ND2-O 3.4Å; T146-S149 PolarHBondContact N-OG 2.86Å; T146-S149 PolarHBondContact O-N 3.48Å; T146-S149 PolarHBondContact O-OG 2.78Å; T146-S149 VanDerWaalsContact O-OG 3.07Å; T146-S149 WeakPolarHBondContact OG1-CB 3.36Å; T146-S149 PolarHBondContact OG1-N 2.79Å; T146-S149 VanDerWaalsContact OG1-N 3.12Å; T146-S149 PolarHBondContact OG1-OG 3Å
150C90.7Very high93.8Very high23 Ų2325.9 Ų25.916%0.15515%0.152CC..SBendtrans-151.7103.4171.6174.40000111.1F101 M145 T146 L154F101-C150 HydrophobicContact CE1-CB 3.43Å; F101-C150 VanDerWaalsContact CE1-CB 3.43Å; F101-C150 HydrophobicContact CZ-CB 3.56Å; M145-C150 HydrophobicContact CE-CB 3.74Å; M145-C150 VanDerWaalsContact CE-O 3.27Å; M145-C150 WeakPolarHBondContact CE-O 3.27Å; M145-C150 HydrophobicContact SD-CB 4.48Å; T146-C150 PolarHBondContact O-N 3.21Å; T146-C150 VanDerWaalsContact O-N 3.08Å; C150-L154 HydrophobicContact CB-CD2 4.45Å
151H93.1Very high93.7Very high10 Ų1025.3 Ų25.35%0.04615%0.149CC..  trans-98.4162.5178.543.988.9000112.4T147 R153 L154 G155 F344T147-H151 VanDerWaalsContact O-CB 3.24Å; T147-H151 WeakPolarHBondContact O-CB 3.35Å; T147-H151 PolarHBondContact O-N 2.98Å; H151-R153 VanDerWaalsContact C-N 3.28Å; H151-R153 PolarHBondContact O-N 3.15Å; H151-L154 PolarHBondContact ND1-N 2.98Å; H151-L154 VanDerWaalsContact ND1-N 3.2Å; H151-L154 PolarHBondContact O-N 2.9Å; H151-L154 VanDerWaalsContact O-N 3.14Å; H151-G155 PolarHBondContact O-N 2.97Å; H151-G155 VanDerWaalsContact O-N 3.14Å; H151-F344 HydrophobicContact CB-CB 3.54Å; H151-F344 HydrophobicContact CB-CD1 4.3Å; H151-F344 HydrophobicContact CB-CD2 3.93Å; H151-F344 HydrophobicContact CB-CG 3.67Å; H151-F344 AromaticContact CD2-CD1 3.47Å; H151-F344 VanDerWaalsContact CD2-CD1 3.47Å; H151-F344 WeakPolarHBondContact CD2-CD1 3.16Å; H151-F344 AromaticContact CD2-CE1 3.65Å; H151-F344 AromaticContact CD2-CG 3.71Å; H151-F344 AromaticContact CE1-CD1 3.91Å; H151-F344 AromaticContact CG-CD1 3.68Å; H151-F344 AromaticContact CG-CG 3.57Å; H151-F344 AromaticContact ND1-CD1 3.93Å; H151-F344 AromaticContact NE2-CD1 3.65Å; H151-F344 AromaticContact NE2-CE1 3.75Å
152P95.4Very high93.8Very high3 Ų327.4 Ų27.42%0.01916%0.159CC..Hα-helixtrans-44.9-46.1175.4-31.633.4000115.4G155 Y156 V184 A188 L340 I346P152-G155 PolarHBondContact O-N 3.22Å; P152-Y156 WeakPolarHBondContact O-CB 3.47Å; P152-Y156 PolarHBondContact O-N 3.22Å; P152-V184 HydrophobicContact CG-CG1 4.37Å; P152-A188 HydrophobicContact CB-CB 3.65Å; P152-A188 HydrophobicContact CG-CB 3.79Å; P152-L340 HydrophobicContact CG-CD2 3.56Å; P152-I346 HydrophobicContact CB-CD1 4.2Å; P152-I346 HydrophobicContact CB-CG1 3.81Å
153R95.5Very high93.9Very high89 Ų8928.2 Ų28.234%0.33617%0.166SC..Hα-helixtrans-60.5-48.6-179.6-177.1178.6176.5164.21.1112.8H151 G155 Y156 E157 E343 F344 M345H151-R153 VanDerWaalsContact C-N 3.28Å; H151-R153 PolarHBondContact O-N 3.15Å; R153-G155 VanDerWaalsContact C-N 3.32Å; R153-G155 PolarHBondContact O-N 2.71Å; R153-Y156 PolarHBondContact O-N 3.4Å; R153-E157 HydrophobicContact CG-CG 4.31Å; R153-E157 IonicContact CZ-OE1 2.68Å; R153-E157 IonicContact NE-OE1 3.28Å; R153-E157 PolarHBondContact NE-OE1 2.88Å; R153-E157 IonicContact NE-OE2 2.87Å; R153-E157 IonicContact NH2-OE1 3.8Å; R153-E157 PolarHBondContact NH2-OE1 3.47Å; R153-E157 WeakPolarHBondContact O-CG 3.46Å; R153-E157 PolarHBondContact O-N 2.88Å; R153-E343 WeakPolarHBondContact CD-O 3.31Å; R153-F344 WeakPolarHBondContact CB-O 3.41Å; R153-F344 PolarHBondContact N-O 3.33Å; R153-M345 WeakPolarHBondContact CB-O 2.99Å
154L94.6Very high94.1Very high9 Ų929 Ų295%0.04717%0.17CC..Hα-helixtrans-59.7-46.9178.7170.864.5000110.2N109 A114 C150 H151 Y156 E157 C158N109-L154 HydrophobicContact CB-CD2 3.82Å; A114-L154 HydrophobicContact CB-CD1 3.72Å; A114-L154 HydrophobicContact CB-CD2 4.41Å; C150-L154 HydrophobicContact CB-CD2 4.45Å; H151-L154 PolarHBondContact ND1-N 2.98Å; H151-L154 VanDerWaalsContact ND1-N 3.2Å; H151-L154 PolarHBondContact O-N 2.9Å; H151-L154 VanDerWaalsContact O-N 3.14Å; L154-Y156 VanDerWaalsContact C-N 3.33Å; L154-Y156 PolarHBondContact O-N 3.31Å; L154-E157 PolarHBondContact O-N 3.43Å; L154-C158 WeakPolarHBondContact O-CB 3.4Å; L154-C158 PolarHBondContact O-N 2.9Å; L154-C158 PolarHBondContact O-SG 3.2Å; L154-C158 VanDerWaalsContact O-SG 3.36Å
155G94.9Very high94.5Very high16 Ų1627.1 Ų27.117%0.16515%0.148CC..Hα-helixtrans-63.5-37.917900000112.9H151 P152 R153 A159H151-G155 PolarHBondContact O-N 2.97Å; H151-G155 VanDerWaalsContact O-N 3.14Å; P152-G155 PolarHBondContact O-N 3.22Å; R153-G155 VanDerWaalsContact C-N 3.32Å; R153-G155 PolarHBondContact O-N 2.71Å; G155-A159 VanDerWaalsContact O-CB 3.28Å; G155-A159 WeakPolarHBondContact O-CB 3.39Å; G155-A159 PolarHBondContact O-N 3.17Å
156Y96.9Very high94.8Very high13 Ų1326.3 Ų26.35%0.05114%0.144CC..Hα-helixtrans-64.3-46.3172.9175.6-94.3000112.2P152 R153 L154 A159 K160 F192 I346 A350 E351 L353P152-Y156 WeakPolarHBondContact O-CB 3.47Å; P152-Y156 PolarHBondContact O-N 3.22Å; R153-Y156 PolarHBondContact O-N 3.4Å; L154-Y156 VanDerWaalsContact C-N 3.33Å; L154-Y156 PolarHBondContact O-N 3.31Å; Y156-A159 PolarHBondContact O-N 2.89Å; Y156-K160 HydrophobicContact CE1-CD 4.11Å; Y156-K160 VanDerWaalsContact O-CB 3.31Å; Y156-K160 WeakPolarHBondContact O-CB 3.23Å; Y156-K160 PolarHBondContact O-N 3.47Å; Y156-F192 HydrophobicContact CD2-CB 4.14Å; Y156-F192 HydrophobicContact CD2-CD1 4.38Å; Y156-F192 HydrophobicContact CD2-CD2 4.35Å; Y156-F192 HydrophobicContact CD2-CG 4.04Å; Y156-F192 HydrophobicContact CE2-CB 3.95Å; Y156-F192 AromaticContact CE2-CD1 3.79Å; Y156-F192 HydrophobicContact CE2-CD1 3.79Å; Y156-F192 HydrophobicContact CE2-CE1 4.44Å; Y156-F192 AromaticContact CE2-CG 3.85Å; Y156-F192 HydrophobicContact CE2-CG 3.85Å; Y156-I346 HydrophobicContact CD1-CG2 4.18Å; Y156-I346 HydrophobicContact CD2-CD1 4.3Å; Y156-I346 HydrophobicContact CD2-CG2 4.04Å; Y156-I346 HydrophobicContact CE2-CG2 4.46Å; Y156-I346 HydrophobicContact CG-CD1 4.32Å; Y156-I346 HydrophobicContact CG-CG1 4.3Å; Y156-I346 HydrophobicContact CG-CG2 3.9Å; Y156-A350 HydrophobicContact CE1-CB 3.91Å; Y156-A350 HydrophobicContact CE2-CB 3.99Å; Y156-E351 WeakPolarHBondContact CE2-O 3.25Å; Y156-E351 PolarHBondContact OH-N 2.91Å; Y156-E351 PolarHBondContact OH-O 3.29Å; Y156-L353 HydrophobicContact CE2-CD1 4.43Å; Y156-L353 HydrophobicContact CE2-CD2 4.02Å; Y156-L353 HydrophobicContact CE2-CG 4.21Å
157E96.2Very high95Very high39 Ų3924.5 Ų24.518%0.18213%0.132CC..Hα-helixtrans-65.1-40.8-179.9-69.5168.6160.100111.5S111 I115 R153 L154 K160 I161S111-E157 WeakPolarHBondContact CB-OE2 3.42Å; S111-E157 PolarHBondContact OG-OE2 2.95Å; I115-E157 HydrophobicContact CD1-CB 3.64Å; R153-E157 HydrophobicContact CG-CG 4.31Å; R153-E157 IonicContact CZ-OE1 2.68Å; R153-E157 IonicContact NE-OE1 3.28Å; R153-E157 PolarHBondContact NE-OE1 2.88Å; R153-E157 IonicContact NE-OE2 2.87Å; R153-E157 IonicContact NH2-OE1 3.8Å; R153-E157 PolarHBondContact NH2-OE1 3.47Å; R153-E157 WeakPolarHBondContact O-CG 3.46Å; R153-E157 PolarHBondContact O-N 2.88Å; L154-E157 PolarHBondContact O-N 3.43Å; E157-K160 PolarHBondContact O-N 3.24Å; E157-I161 WeakPolarHBondContact O-CG1 3.24Å; E157-I161 PolarHBondContact O-N 2.88Å
158C96.4Very high95.3Very high22 Ų2225.8 Ų25.815%0.14914%0.137CC..Hα-helixtrans-60.1-47.5170.7-73.80000112L118 L154 K160 I161 M162L118-C158 HydrophobicContact CD2-CB 3.78Å; L154-C158 WeakPolarHBondContact O-CB 3.4Å; L154-C158 PolarHBondContact O-N 2.9Å; L154-C158 PolarHBondContact O-SG 3.2Å; L154-C158 VanDerWaalsContact O-SG 3.36Å; C158-K160 VanDerWaalsContact C-N 3.29Å; C158-K160 PolarHBondContact O-N 3.36Å; C158-I161 PolarHBondContact O-N 3.33Å; C158-M162 WeakPolarHBondContact O-CE 3.37Å; C158-M162 WeakPolarHBondContact O-CG 3.25Å; C158-M162 PolarHBondContact O-N 2.81Å; C158-M162 VanDerWaalsContact O-N 3.15Å
159A96.6Very high95.7Very high16 Ų1625 Ų2513%0.13213%0.13CC..Hα-helixtrans-62.8-37.9177.700000111.7G155 Y156 M162 A163 L193 L353G155-A159 VanDerWaalsContact O-CB 3.28Å; G155-A159 WeakPolarHBondContact O-CB 3.39Å; G155-A159 PolarHBondContact O-N 3.17Å; Y156-A159 PolarHBondContact O-N 2.89Å; A159-M162 PolarHBondContact O-N 2.83Å; A159-A163 VanDerWaalsContact O-CB 3.29Å; A159-A163 WeakPolarHBondContact O-CB 3.46Å; A159-A163 PolarHBondContact O-N 3.45Å; A159-L193 HydrophobicContact CB-CD2 4.03Å; A159-L353 HydrophobicContact CB-CD1 3.59Å
160K96.8Very high96.2Very high59 Ų5926.1 Ų26.126%0.25714%0.136SC..Hα-helixtrans-64.3-48.3178.5-180168.2176.250.90111.8Y156 E157 C158 M162 A163 D164 L353Y156-K160 HydrophobicContact CE1-CD 4.11Å; Y156-K160 VanDerWaalsContact O-CB 3.31Å; Y156-K160 WeakPolarHBondContact O-CB 3.23Å; Y156-K160 PolarHBondContact O-N 3.47Å; E157-K160 PolarHBondContact O-N 3.24Å; C158-K160 VanDerWaalsContact C-N 3.29Å; C158-K160 PolarHBondContact O-N 3.36Å; K160-M162 VanDerWaalsContact C-N 3.29Å; K160-M162 PolarHBondContact O-N 2.9Å; K160-A163 PolarHBondContact O-N 3.36Å; K160-D164 WeakPolarHBondContact CG-OD2 3.38Å; K160-D164 IonicContact NZ-OD2 3.58Å; K160-D164 PolarHBondContact NZ-OD2 3.04Å; K160-D164 WeakPolarHBondContact O-CB 3.2Å; K160-D164 PolarHBondContact O-N 2.92Å; K160-L353 HydrophobicContact CB-CD1 4.47Å; K160-L353 HydrophobicContact CB-CD2 3.93Å; K160-L353 HydrophobicContact CG-CD2 4.08Å
161I97.2Very high96.5Very high33 Ų3325.7 Ų25.717%0.16914%0.135CC..Hα-helixtrans-58.4-44.1176.3-70.2-73.7000110.6I115 I119 E157 C158 H165 Y166I115-I161 HydrophobicContact CG2-CG1 3.97Å; I119-I161 HydrophobicContact CD1-CG2 4.12Å; I119-I161 HydrophobicContact CG1-CG2 4.05Å; E157-I161 WeakPolarHBondContact O-CG1 3.24Å; E157-I161 PolarHBondContact O-N 2.88Å; C158-I161 PolarHBondContact O-N 3.33Å; I161-H165 WeakPolarHBondContact O-CB 3.28Å; I161-H165 PolarHBondContact O-N 3.46Å; I161-Y166 HydrophobicContact CG2-CE2 4.24Å
162M97.8Very high96.7Very high43 Ų4325.9 Ų25.921%0.21214%0.136CC..Hα-helixtrans-65.9-42.6177.3-71-172.7-7100112.8L118 F138 C158 A159 K160 Y166L118-M162 HydrophobicContact CD2-CE 4.49Å; L118-M162 HydrophobicContact CD2-CG 4.4Å; L118-M162 HydrophobicContact CD2-SD 4.48Å; F138-M162 HydrophobicContact CE2-CE 4.45Å; F138-M162 HydrophobicContact CE2-SD 3.76Å; F138-M162 HydrophobicContact CZ-SD 4.05Å; C158-M162 WeakPolarHBondContact O-CE 3.37Å; C158-M162 WeakPolarHBondContact O-CG 3.25Å; C158-M162 PolarHBondContact O-N 2.81Å; C158-M162 VanDerWaalsContact O-N 3.15Å; A159-M162 PolarHBondContact O-N 2.83Å; K160-M162 VanDerWaalsContact C-N 3.29Å; K160-M162 PolarHBondContact O-N 2.9Å; M162-Y166 CarbonylContact O-C 3.48Å; M162-Y166 WeakPolarHBondContact O-CA 3.28Å; M162-Y166 WeakPolarHBondContact O-CB 3.43Å; M162-Y166 PolarHBondContact O-N 2.97Å
163A96.3Very high96.9Very high24 Ų2426.1 Ų26.120%0.19814%0.138CC..Hα-helixtrans-65.7-41.8177.900000112M54 A159 K160 L353M54-A163 WeakPolarHBondContact CE-O 3.37Å; A159-A163 VanDerWaalsContact O-CB 3.29Å; A159-A163 WeakPolarHBondContact O-CB 3.46Å; A159-A163 PolarHBondContact O-N 3.45Å; K160-A163 PolarHBondContact O-N 3.36Å; A163-L353 HydrophobicContact CB-CB 4Å; A163-L353 HydrophobicContact CB-CD1 4.37Å
164D96.3Very high97Very high28 Ų2821.9 Ų21.915%0.1512%0.122CC..Hα-helixtrans-72.8-38.9-177.5-83.7-41.4000112.8M54 K57 K160M54-D164 WeakPolarHBondContact CE-O 3.3Å; K57-D164 VanDerWaalsContact NZ-CG 3.28Å; K57-D164 IonicContact NZ-OD1 2.84Å; K57-D164 PolarHBondContact NZ-OD1 3.13Å; K57-D164 IonicContact NZ-OD2 3.42Å; K57-D164 PolarHBondContact NZ-OD2 2.94Å; K160-D164 WeakPolarHBondContact CG-OD2 3.38Å; K160-D164 IonicContact NZ-OD2 3.58Å; K160-D164 PolarHBondContact NZ-OD2 3.04Å; K160-D164 WeakPolarHBondContact O-CB 3.2Å; K160-D164 PolarHBondContact O-N 2.92Å
165H97.4Very high97.2Very high11 Ų1121.6 Ų21.65%0.05112%0.121CC..Hα-helixtrans-121.7-12.1-166.5-62.7-62000115.3D58 W61 R62 I161D58-H165 WeakPolarHBondContact OD1-CA 3.34Å; D58-H165 VanDerWaalsContact OD1-CB 3.31Å; D58-H165 WeakPolarHBondContact OD1-CB 3.34Å; D58-H165 IonicContact OD1-CG 2.71Å; D58-H165 IonicContact OD1-ND1 3.99Å; D58-H165 PolarHBondContact OD1-ND1 3.18Å; W61-H165 WeakPolarHBondContact CB-CE1 3.41Å; W61-H165 AromaticContact CD1-CE1 3.97Å; W61-H165 AromaticContact CD1-NE2 3.76Å; W61-H165 HydrophobicContact CD2-CB 4.49Å; W61-H165 AromaticContact CD2-CD2 3.66Å; W61-H165 AromaticContact CD2-CE1 3.54Å; W61-H165 AromaticContact CD2-CG 3.64Å; W61-H165 AromaticContact CD2-ND1 3.55Å; W61-H165 AromaticContact CD2-NE2 3.62Å; W61-H165 AromaticContact CE2-CD2 3.89Å; W61-H165 HydrophobicContact CE3-CB 3.79Å; W61-H165 AromaticContact CE3-CD2 3.86Å; W61-H165 AromaticContact CE3-CE1 3.83Å; W61-H165 AromaticContact CE3-CG 3.35Å; W61-H165 AromaticContact CE3-ND1 3.33Å; W61-H165 VanDerWaalsContact CE3-ND1 3.33Å; W61-H165 AromaticContact CG-CE1 3.26Å; W61-H165 AromaticContact CG-ND1 3.74Å; W61-H165 AromaticContact CG-NE2 3.47Å; W61-H165 HydrophobicContact CH2-CB 4.3Å; W61-H165 HydrophobicContact CZ3-CB 3.67Å; W61-H165 AromaticContact CZ3-CG 3.72Å; R62-H165 PolarHBondContact NH2-O 3.25Å; I161-H165 WeakPolarHBondContact O-CB 3.28Å; I161-H165 PolarHBondContact O-N 3.46Å
166Y97.4Very high97.2Very high6 Ų620.9 Ų20.92%0.02411%0.113CC..SBendtrans-130.447.3-178.4-58.5-87.2000112W61 R62 I122 E123 I126 W136 I161 M162 E168 R169W61-Y166 HydrophobicContact CH2-CE2 4.06Å; W61-Y166 HydrophobicContact CZ3-CE2 4.2Å; R62-Y166 VanDerWaalsContact NH2-CE1 3.32Å; I122-Y166 HydrophobicContact CD1-CD1 4.05Å; I122-Y166 HydrophobicContact CD1-CD2 3.76Å; I122-Y166 HydrophobicContact CD1-CE1 3.85Å; I122-Y166 HydrophobicContact CD1-CE2 3.56Å; I122-Y166 HydrophobicContact CD1-CG 4Å; I122-Y166 HydrophobicContact CG1-CD1 4.48Å; I122-Y166 HydrophobicContact CG1-CE1 4.01Å; I122-Y166 HydrophobicContact CG1-CE2 4.46Å; E123-Y166 WeakPolarHBondContact OE1-CE1 3.35Å; E123-Y166 VanDerWaalsContact OE1-CZ 3.27Å; E123-Y166 PolarHBondContact OE1-OH 3.03Å; I126-Y166 HydrophobicContact CD1-CD1 4.03Å; I126-Y166 HydrophobicContact CD1-CE1 3.86Å; W136-Y166 AromaticContact CH2-CD1 3.7Å; W136-Y166 HydrophobicContact CH2-CD1 3.7Å; W136-Y166 AromaticContact CH2-CG 3.93Å; W136-Y166 HydrophobicContact CH2-CG 3.93Å; W136-Y166 HydrophobicContact CZ3-CD1 4.3Å; I161-Y166 HydrophobicContact CG2-CE2 4.24Å; M162-Y166 CarbonylContact O-C 3.48Å; M162-Y166 WeakPolarHBondContact O-CA 3.28Å; M162-Y166 WeakPolarHBondContact O-CB 3.43Å; M162-Y166 PolarHBondContact O-N 2.97Å; Y166-E168 PolarHBondContact O-N 3.4Å; Y166-R169 WeakPolarHBondContact O-CB 3.33Å; Y166-R169 VanDerWaalsContact O-CG 3.28Å; Y166-R169 WeakPolarHBondContact O-CG 3.22Å; Y166-R169 PolarHBondContact O-N 3.12Å
167P97.2Very high97Very high7 Ų721.5 Ų21.55%0.04512%0.117CC..THydrogen-bonded Turntrans-58142.5-179.922.6-31.9000111.3R39 F40 A43 M54 R169R39-P167 PolarHBondContact NH1-O 3.36Å; F40-P167 HydrophobicContact CD1-CG 3.65Å; F40-P167 HydrophobicContact CD2-CG 4.16Å; F40-P167 HydrophobicContact CE1-CG 3.58Å; F40-P167 HydrophobicContact CE2-CG 4.08Å; F40-P167 HydrophobicContact CG-CG 3.93Å; F40-P167 HydrophobicContact CZ-CG 3.8Å; A43-P167 HydrophobicContact CB-CB 3.42Å; A43-P167 VanDerWaalsContact CB-CB 3.42Å; M54-P167 HydrophobicContact CE-CB 3.73Å; M54-P167 HydrophobicContact CE-CG 3.68Å; M54-P167 HydrophobicContact SD-CB 4.34Å; M54-P167 HydrophobicContact SD-CG 4.18Å; P167-R169 PolarHBondContact O-N 3.41Å; P167-R169 VanDerWaalsContact O-N 3.11Å
168E96.2Very high96.9Very high52 Ų5219.9 Ų19.924%0.24311%0.109CC..THydrogen-bonded Turntrans56.723.7176.6-66.3-62.4110.500114.9R39 K42 A43 Q135 Y166 K200R39-E168 HydrophobicContact CB-CB 4.01Å; R39-E168 HydrophobicContact CG-CB 3.97Å; K42-E168 HydrophobicContact CB-CG 3.82Å; A43-E168 HydrophobicContact CB-CG 4.19Å; Q135-E168 WeakPolarHBondContact CG-O 3.46Å; Q135-E168 PolarHBondContact NE2-O 3.12Å; Y166-E168 PolarHBondContact O-N 3.4Å; E168-K200 IonicContact OE1-NZ 2.91Å
169R97.9Very high96.8Very high16 Ų1620 Ų206%0.0611%0.114CC..  trans-90.5-27.7175.5-66.9-66.2-166171.6-2.3114.6N36 T134 Q135 W136 Y166 P167 G171N36-R169 PolarHBondContact OD1-NH2 2.95Å; T134-R169 WeakPolarHBondContact O-CD 3.36Å; T134-R169 PolarHBondContact O-NH1 3.3Å; Q135-R169 CarbonylContact C-O 3.49Å; Q135-R169 WeakPolarHBondContact CA-O 3.49Å; Q135-R169 VanDerWaalsContact CB-O 3.3Å; Q135-R169 WeakPolarHBondContact CB-O 3.24Å; W136-R169 HydrophobicContact CD2-CB 4.07Å; W136-R169 HydrophobicContact CE3-CB 3.89Å; W136-R169 HydrophobicContact CE3-CG 4.41Å; W136-R169 HydrophobicContact CH2-CB 3.27Å; W136-R169 HydrophobicContact CH2-CG 3.58Å; W136-R169 HydrophobicContact CZ2-CB 3.43Å; W136-R169 VanDerWaalsContact CZ2-CB 3.43Å; W136-R169 HydrophobicContact CZ2-CG 4.25Å; W136-R169 HydrophobicContact CZ3-CB 3.5Å; W136-R169 VanDerWaalsContact CZ3-CB 3.5Å; W136-R169 HydrophobicContact CZ3-CG 3.66Å; W136-R169 PolarHBondContact N-O 2.9Å; Y166-R169 WeakPolarHBondContact O-CB 3.33Å; Y166-R169 VanDerWaalsContact O-CG 3.28Å; Y166-R169 WeakPolarHBondContact O-CG 3.22Å; Y166-R169 PolarHBondContact O-N 3.12Å; P167-R169 PolarHBondContact O-N 3.41Å; P167-R169 VanDerWaalsContact O-N 3.11Å; R169-G171 PolarHBondContact O-N 3.41Å
170L98.5Very high96.7Very high30 Ų3020.7 Ų20.716%0.15712%0.118CC..EExtended strand (participates in β ladder)trans-74.1118.7176-177.463.4000109.9F138 L172 A173 T197 K200F138-L170 HydrophobicContact CD2-CD1 3.64Å; F138-L170 HydrophobicContact CE2-CD1 4.17Å; L170-L172 WeakPolarHBondContact CD1-O 3.46Å; L170-A173 HydrophobicContact CD1-CB 4.29Å; L170-A173 HydrophobicContact CD2-CB 4.45Å; L170-T197 HydrophobicContact CD2-CG2 4.24Å; L170-K200 HydrophobicContact CD2-CB 4.36Å; L170-K200 HydrophobicContact CG-CD 4.38Å; L170-K200 VanDerWaalsContact O-CD 3.31Å; L170-K200 WeakPolarHBondContact O-CD 3.36Å; L170-K200 WeakPolarHBondContact O-CE 3.22Å; L170-K200 PolarHBondContact O-NZ 3.19Å
171G98.1Very high96.5Very high13 Ų1318.3 Ų18.313%0.13411%0.109CC..EExtended strand (participates in β ladder)trans-91.6-44.6171.700000113W136 R169W136-G171 PolarHBondContact O-N 3.48Å; R169-G171 PolarHBondContact O-N 3.41Å
172L98Very high96.5Very high14 Ų1417.9 Ų17.97%0.07311%0.106CC..EExtended strand (participates in β ladder)trans-156.7145.2-179.5177.464.9000109.6V137 F138 L170 M174 K200 C202 Y217V137-L172 CarbonylContact C-O 3.59Å; V137-L172 VanDerWaalsContact CA-O 3.3Å; V137-L172 WeakPolarHBondContact CA-O 3.46Å; V137-L172 HydrophobicContact CG1-CB 3.97Å; V137-L172 HydrophobicContact CG1-CD2 4.25Å; V137-L172 HydrophobicContact CG1-CG 4.24Å; V137-L172 HydrophobicContact CG2-CB 4.09Å; F138-L172 PolarHBondContact N-O 3.36Å; L170-L172 WeakPolarHBondContact CD1-O 3.46Å; L172-M174 HydrophobicContact CD2-CE 3.43Å; L172-M174 VanDerWaalsContact CD2-CE 3.43Å; L172-M174 HydrophobicContact CD2-CG 4.04Å; L172-M174 HydrophobicContact CG-CE 4.47Å; L172-M174 HydrophobicContact CG-CG 4.11Å; L172-K200 WeakPolarHBondContact CD1-O 3.07Å; L172-C202 HydrophobicContact CD1-CB 4.37Å; L172-Y217 HydrophobicContact CD2-CD1 3.69Å; L172-Y217 HydrophobicContact CD2-CD2 4.25Å; L172-Y217 HydrophobicContact CD2-CE1 3.94Å; L172-Y217 HydrophobicContact CD2-CE2 4.47Å; L172-Y217 HydrophobicContact CD2-CG 3.84Å
173A98.4Very high96.4Very high8 Ų818 Ų187%0.06611%0.105CC..EExtended strand (participates in β ladder)trans-126.9115.8166.700000109.1F138 L170 K200 V201 C202F138-A173 HydrophobicContact CB-CB 4.23Å; F138-A173 CarbonylContact O-C 3.08Å; F138-A173 WeakPolarHBondContact O-CA 3.41Å; L170-A173 HydrophobicContact CD1-CB 4.29Å; L170-A173 HydrophobicContact CD2-CB 4.45Å; A173-K200 PolarHBondContact N-O 2.94Å; A173-V201 HydrophobicContact CB-CG2 4.32Å; A173-V201 CarbonylContact O-C 3.57Å; A173-V201 WeakPolarHBondContact O-CA 3.31Å; A173-C202 PolarHBondContact O-N 2.93Å
174M98Very high96.4Very high0 Ų017.2 Ų17.20%010%0.098CC..EExtended strand (participates in β ladder)trans-100.3120.9173.7-65.3-170-17100110F138 V139 I140 L172 I204 F214 Y217 F218F138-M174 PolarHBondContact O-N 3.15Å; V139-M174 CarbonylContact C-O 3.55Å; V139-M174 WeakPolarHBondContact CA-O 3.34Å; V139-M174 HydrophobicContact CG2-CB 4.45Å; I140-M174 PolarHBondContact N-O 3.2Å; L172-M174 HydrophobicContact CD2-CE 3.43Å; L172-M174 VanDerWaalsContact CD2-CE 3.43Å; L172-M174 HydrophobicContact CD2-CG 4.04Å; L172-M174 HydrophobicContact CG-CE 4.47Å; L172-M174 HydrophobicContact CG-CG 4.11Å; M174-I204 HydrophobicContact SD-CD1 4.07Å; M174-F214 HydrophobicContact SD-CD1 3.84Å; M174-F214 HydrophobicContact SD-CE1 3.97Å; M174-Y217 HydrophobicContact CE-CD2 3.11Å; M174-Y217 HydrophobicContact CE-CE2 3.77Å; M174-Y217 HydrophobicContact CE-CG 3.57Å; M174-F218 HydrophobicContact CE-CE1 4.26Å; M174-F218 HydrophobicContact CE-CE2 3.7Å; M174-F218 HydrophobicContact CE-CZ 3.52Å; M174-F218 HydrophobicContact SD-CE2 3.67Å; M174-F218 HydrophobicContact SD-CZ 3.78Å
175C97.9Very high96.4Very high4 Ų416.1 Ų16.13%0.0279%0.093CC..EExtended strand (participates in β ladder)trans-101.7111.6172.9-59.40000108.8I140 P178 F182 C202 F203 I204I140-C175 CarbonylContact O-C 3.34Å; I140-C175 WeakPolarHBondContact O-CA 3.22Å; C175-P178 HydrophobicContact CB-CB 4.47Å; C175-F182 HydrophobicContact CB-CE2 4.03Å; C175-F182 HydrophobicContact CB-CZ 3.93Å; C175-F182 VanDerWaalsContact SG-CE2 3.55Å; C175-F182 WeakPolarHBondContact SG-CZ 3.34Å; C175-C202 PolarHBondContact N-O 2.98Å; C175-F203 HydrophobicContact CB-CD1 3.94Å; C175-F203 HydrophobicContact CB-CE1 4.35Å; C175-I204 PolarHBondContact O-N 2.88Å
176V96.8Very high96.3Very high0 Ų017.7 Ų17.70%010%0.098CC..EExtended strand (participates in β ladder)trans-93.1129.5-179.2-172.30000108.8V139 I140 C142 I204 I210 F214 V230V139-V176 HydrophobicContact CG1-CG2 4.16Å; I140-V176 PolarHBondContact O-N 3.34Å; C142-V176 WeakPolarHBondContact CB-O 3.33Å; C142-V176 PolarHBondContact N-O 3.35Å; V176-I204 HydrophobicContact CG2-CD1 4.4Å; V176-I210 HydrophobicContact CG1-CD1 4.43Å; V176-F214 HydrophobicContact CG2-CE1 4.13Å; V176-F214 HydrophobicContact CG2-CZ 3.93Å; V176-V230 HydrophobicContact CG1-CG1 4.32Å; V176-V230 HydrophobicContact CG1-CG2 4.04Å
177H91.9Very high96.3Very high27 Ų2722.7 Ų22.713%0.12512%0.122CC..SBendtrans49.653.2-176.4-53.8140.2000114.9C142 G179 I204 I210 R234C142-H177 WeakPolarHBondContact CB-O 3.33Å; H177-G179 PolarHBondContact O-N 2.79Å; H177-I204 PolarHBondContact N-O 2.87Å; H177-I210 VanDerWaalsContact NE2-CD1 3.26Å; H177-I210 WeakPolarHBondContact NE2-CD1 3.27Å; H177-R234 PolarHBondContact CE1-NH1 3.36Å; H177-R234 PolarHBondContact NE2-NH1 3.15Å
178P94.5Very high96.3Very high4 Ų424 Ų243%0.02613%0.133CC..  trans-68.2104.3177.629.3-33.8000111.1C175 F182 F203 R205C175-P178 HydrophobicContact CB-CB 4.47Å; P178-F182 HydrophobicContact CB-CB 4.08Å; P178-F182 HydrophobicContact CB-CD1 3.33Å; P178-F182 HydrophobicContact CB-CD2 4.35Å; P178-F182 HydrophobicContact CB-CE1 3.84Å; P178-F182 HydrophobicContact CB-CG 3.64Å; P178-F203 HydrophobicContact CB-CD1 4.47Å; P178-F203 HydrophobicContact CG-CB 4.18Å; P178-F203 HydrophobicContact CG-CD1 4.1Å; P178-R205 HydrophobicContact CG-CG 4.21Å
179G93.3Very high96.3Very high24 Ų2422.2 Ų22.225%0.24713%0.125CC..  trans-88.5-168.3176.700000114.9H177 A181 F182 K183H177-G179 PolarHBondContact O-N 2.79Å; G179-A181 PolarHBondContact O-N 2.99Å; G179-F182 WeakPolarHBondContact O-CB 3.34Å; G179-F182 PolarHBondContact O-N 2.69Å; G179-F182 VanDerWaalsContact O-N 3.09Å; G179-K183 PolarHBondContact O-N 3.19Å
180P94.5Very high96.3Very high32 Ų3226.2 Ų26.221%0.20814%0.143CC..Hα-helixtrans-52.5-46.6-175.7-29.533.2000115.2F182 K183 V184 E329 I332 L336P180-F182 VanDerWaalsContact C-N 3.32Å; P180-F182 PolarHBondContact O-N 2.89Å; P180-K183 WeakPolarHBondContact O-CB 3.35Å; P180-K183 PolarHBondContact O-N 2.99Å; P180-K183 VanDerWaalsContact O-N 3.08Å; P180-V184 WeakPolarHBondContact O-CG2 3.47Å; P180-V184 PolarHBondContact O-N 2.72Å; P180-E329 HydrophobicContact CG-CG 3.69Å; P180-I332 HydrophobicContact CB-CB 4.4Å; P180-I332 HydrophobicContact CB-CG2 3.75Å; P180-I332 HydrophobicContact CG-CB 4.25Å; P180-I332 HydrophobicContact CG-CG2 3.81Å; P180-L336 HydrophobicContact CB-CD1 3.67Å
181A94Very high96.3Very high9 Ų928.8 Ų28.87%0.07416%0.161CC..Hα-helixtrans-62-39.8179.700000112.2M145 T147 G179 K183 V184 A185 L336M145-A181 HydrophobicContact CG-CB 4.34Å; T147-A181 HydrophobicContact CG2-CB 4.12Å; G179-A181 PolarHBondContact O-N 2.99Å; A181-K183 VanDerWaalsContact C-N 3.34Å; A181-V184 PolarHBondContact O-N 3.12Å; A181-A185 PolarHBondContact O-N 3.5Å; A181-L336 HydrophobicContact CB-CD1 4.48Å
182F95.5Very high96.2Very high23 Ų2330.3 Ų30.310%0.10116%0.164CC..Hα-helixtrans-61.2-45.3172.8178.6-83.6000110.9C142 M145 C175 P178 G179 P180 V184 A185 W186 F203C142-F182 WeakPolarHBondContact SG-CD2 3.35Å; M145-F182 VanDerWaalsContact CE-CA 3.48Å; M145-F182 HydrophobicContact CE-CB 4.14Å; M145-F182 HydrophobicContact CE-CD2 4.43Å; M145-F182 HydrophobicContact SD-CB 3.71Å; M145-F182 HydrophobicContact SD-CD2 3.94Å; M145-F182 HydrophobicContact SD-CG 4.34Å; C175-F182 HydrophobicContact CB-CE2 4.03Å; C175-F182 HydrophobicContact CB-CZ 3.93Å; C175-F182 VanDerWaalsContact SG-CE2 3.55Å; C175-F182 WeakPolarHBondContact SG-CZ 3.34Å; P178-F182 HydrophobicContact CB-CB 4.08Å; P178-F182 HydrophobicContact CB-CD1 3.33Å; P178-F182 HydrophobicContact CB-CD2 4.35Å; P178-F182 HydrophobicContact CB-CE1 3.84Å; P178-F182 HydrophobicContact CB-CG 3.64Å; G179-F182 WeakPolarHBondContact O-CB 3.34Å; G179-F182 PolarHBondContact O-N 2.69Å; G179-F182 VanDerWaalsContact O-N 3.09Å; P180-F182 VanDerWaalsContact C-N 3.32Å; P180-F182 PolarHBondContact O-N 2.89Å; F182-V184 VanDerWaalsContact C-N 3.33Å; F182-V184 PolarHBondContact O-N 3.02Å; F182-A185 PolarHBondContact O-N 3.22Å; F182-W186 HydrophobicContact CD1-CB 4.11Å; F182-W186 HydrophobicContact CE1-CB 3.64Å; F182-W186 AromaticContact CE1-CG 3.95Å; F182-W186 HydrophobicContact CE1-CG 3.95Å; F182-W186 HydrophobicContact CZ-CB 4.13Å; F182-W186 HydrophobicContact CZ-CG 4.4Å; F182-W186 VanDerWaalsContact O-CB 3.32Å; F182-W186 WeakPolarHBondContact O-CB 3.48Å; F182-W186 PolarHBondContact O-N 3.22Å; F182-F203 AromaticContact CE1-CD1 3.95Å; F182-F203 HydrophobicContact CE1-CD1 3.95Å; F182-F203 AromaticContact CE1-CE1 3.46Å; F182-F203 HydrophobicContact CE1-CE1 3.46Å; F182-F203 VanDerWaalsContact CE1-CE1 3.46Å; F182-F203 HydrophobicContact CE1-CZ 4.49Å; F182-F203 HydrophobicContact CZ-CD1 4.28Å; F182-F203 AromaticContact CZ-CE1 3.67Å; F182-F203 HydrophobicContact CZ-CE1 3.67Å
183K95.8Very high96.1Very high45 Ų4530.9 Ų30.920%0.19617%0.168CC..Hα-helixtrans-60.9-41-179.2-167.8171.1174.3-178.30111.8G179 P180 A181 W186 Q187 E329 T333G179-K183 PolarHBondContact O-N 3.19Å; P180-K183 WeakPolarHBondContact O-CB 3.35Å; P180-K183 PolarHBondContact O-N 2.99Å; P180-K183 VanDerWaalsContact O-N 3.08Å; A181-K183 VanDerWaalsContact C-N 3.34Å; K183-W186 PolarHBondContact O-N 3.01Å; K183-Q187 HydrophobicContact CG-CG 4.39Å; K183-Q187 VanDerWaalsContact O-CB 3.28Å; K183-Q187 WeakPolarHBondContact O-CB 3.47Å; K183-Q187 VanDerWaalsContact O-CG 3.24Å; K183-Q187 WeakPolarHBondContact O-CG 3.44Å; K183-Q187 PolarHBondContact O-N 3.27Å; K183-E329 WeakPolarHBondContact CD-OE1 3.31Å; K183-E329 IonicContact NZ-OE1 3.89Å; K183-E329 PolarHBondContact NZ-OE1 3.28Å; K183-T333 HydrophobicContact CB-CG2 3.96Å; K183-T333 HydrophobicContact CD-CG2 3.87Å; K183-T333 HydrophobicContact CG-CG2 3.82Å
184V96.5Very high95.9Very high8 Ų832 Ų325%0.04817%0.174CC..Hα-helixtrans-57.4-52.8172.2174.50000111.1P152 P180 A181 F182 A188 T333 L336 A337 L340P152-V184 HydrophobicContact CG-CG1 4.37Å; P180-V184 WeakPolarHBondContact O-CG2 3.47Å; P180-V184 PolarHBondContact O-N 2.72Å; A181-V184 PolarHBondContact O-N 3.12Å; F182-V184 VanDerWaalsContact C-N 3.33Å; F182-V184 PolarHBondContact O-N 3.02Å; V184-A188 PolarHBondContact O-N 2.84Å; V184-T333 HydrophobicContact CG2-CG2 3.87Å; V184-T333 WeakPolarHBondContact CG2-O 3.36Å; V184-L336 HydrophobicContact CG2-CB 3.86Å; V184-A337 HydrophobicContact CG1-CB 4.17Å; V184-A337 HydrophobicContact CG2-CB 4.07Å; V184-L340 HydrophobicContact CG1-CD2 4.41Å
185A95.9Very high95.7Very high5 Ų538.4 Ų38.44%0.04120%0.204CC..Hα-helixtrans-60.4-49179.100000112M145 A181 F182 A188 I189M145-A185 HydrophobicContact CE-CB 4.08Å; A181-A185 PolarHBondContact O-N 3.5Å; F182-A185 PolarHBondContact O-N 3.22Å; A185-A188 PolarHBondContact O-N 3.39Å; A185-I189 HydrophobicContact CB-CD1 4.46Å; A185-I189 WeakPolarHBondContact O-CD1 3.44Å; A185-I189 VanDerWaalsContact O-CG1 3.22Å; A185-I189 WeakPolarHBondContact O-CG1 3.44Å; A185-I189 PolarHBondContact O-N 3.19Å
186W97Very high95.5Very high45 Ų4542.1 Ų42.117%0.1723%0.227CC..Hα-helixtrans-63.8-43.9-177.6178.1-117.6000112.8F182 K183 A188 I189 K190 L193 V198 V201 F203F182-W186 HydrophobicContact CD1-CB 4.11Å; F182-W186 HydrophobicContact CE1-CB 3.64Å; F182-W186 AromaticContact CE1-CG 3.95Å; F182-W186 HydrophobicContact CE1-CG 3.95Å; F182-W186 HydrophobicContact CZ-CB 4.13Å; F182-W186 HydrophobicContact CZ-CG 4.4Å; F182-W186 VanDerWaalsContact O-CB 3.32Å; F182-W186 WeakPolarHBondContact O-CB 3.48Å; F182-W186 PolarHBondContact O-N 3.22Å; K183-W186 PolarHBondContact O-N 3.01Å; W186-A188 VanDerWaalsContact C-N 3.29Å; W186-A188 PolarHBondContact O-N 3.36Å; W186-I189 PolarHBondContact O-N 2.86Å; W186-K190 HydrophobicContact CD2-CB 4.4Å; W186-K190 HydrophobicContact CZ2-CB 4.3Å; W186-K190 HydrophobicContact CZ2-CD 4.16Å; W186-K190 HydrophobicContact CZ2-CG 4.12Å; W186-K190 WeakPolarHBondContact O-CB 3.47Å; W186-K190 PolarHBondContact O-N 3.31Å; W186-L193 HydrophobicContact CH2-CD1 3.88Å; W186-L193 HydrophobicContact CZ3-CD1 3.6Å; W186-V198 HydrophobicContact CH2-CG2 4.47Å; W186-V198 HydrophobicContact CZ2-CG1 4.23Å; W186-V201 HydrophobicContact CH2-CB 4.04Å; W186-V201 HydrophobicContact CH2-CG1 4.23Å; W186-V201 HydrophobicContact CH2-CG2 3.68Å; W186-V201 HydrophobicContact CZ2-CB 4.42Å; W186-V201 HydrophobicContact CZ3-CG2 4.1Å; W186-F203 HydrophobicContact CD2-CZ 4.18Å; W186-F203 AromaticContact CE2-CZ 3.59Å; W186-F203 HydrophobicContact CG-CZ 4.44Å; W186-F203 AromaticContact CZ2-CZ 3.87Å; W186-F203 HydrophobicContact CZ2-CZ 3.87Å; W186-F203 AromaticContact NE1-CZ 3.46Å
187Q96.8Very high95.4Very high111 Ų11143.9 Ų43.952%0.51924%0.237SC..Hα-helixtrans-64-35178.4-75.4177.1-2300112.2K183 P191K183-Q187 HydrophobicContact CG-CG 4.39Å; K183-Q187 VanDerWaalsContact O-CB 3.28Å; K183-Q187 WeakPolarHBondContact O-CB 3.47Å; K183-Q187 VanDerWaalsContact O-CG 3.24Å; K183-Q187 WeakPolarHBondContact O-CG 3.44Å; K183-Q187 PolarHBondContact O-N 3.27Å; Q187-P191 VanDerWaalsContact O-CD 3.22Å; Q187-P191 WeakPolarHBondContact O-CD 3.46Å
188A96.9Very high95.6Very high34 Ų3443.5 Ų43.528%0.28124%0.237SC..Hα-helixtrans-71.9-39175.600000112.8P152 V184 A185 W186 F192 I346P152-A188 HydrophobicContact CB-CB 3.65Å; P152-A188 HydrophobicContact CG-CB 3.79Å; V184-A188 PolarHBondContact O-N 2.84Å; A185-A188 PolarHBondContact O-N 3.39Å; W186-A188 VanDerWaalsContact C-N 3.29Å; W186-A188 PolarHBondContact O-N 3.36Å; A188-F192 WeakPolarHBondContact O-CD2 3.36Å; A188-F192 WeakPolarHBondContact O-CE2 3.43Å; A188-I346 HydrophobicContact CB-CD1 4.11Å; A188-I346 WeakPolarHBondContact O-CD1 3.39Å
189I97.3Very high95.7Very high15 Ų1547.5 Ų47.58%0.07727%0.265CS..Hα-helixtrans-82.1-38.3-175.4-63.5160.1000112.1A185 W186 P191 F192 L193 I346A185-I189 HydrophobicContact CB-CD1 4.46Å; A185-I189 WeakPolarHBondContact O-CD1 3.44Å; A185-I189 VanDerWaalsContact O-CG1 3.22Å; A185-I189 WeakPolarHBondContact O-CG1 3.44Å; A185-I189 PolarHBondContact O-N 3.19Å; W186-I189 PolarHBondContact O-N 2.86Å; I189-P191 VanDerWaalsContact C-CD 3.4Å; I189-P191 VanDerWaalsContact C-N 3.34Å; I189-P191 VanDerWaalsContact O-N 3.15Å; I189-F192 WeakPolarHBondContact O-CB 3.49Å; I189-F192 PolarHBondContact O-N 3.19Å; I189-L193 HydrophobicContact CG2-CD1 4Å; I189-L193 HydrophobicContact CG2-CD2 4.17Å; I189-L193 HydrophobicContact CG2-CG 3.98Å; I189-I346 HydrophobicContact CG1-CD1 3.9Å
190K97.2Very high95.9Very high100 Ų10048.2 Ų48.244%0.43526%0.262SS..G310 helixtrans-49.6-41.9-173.2-179.5-176.2179.4-173.10114.3W186 F192 L193 V198W186-K190 HydrophobicContact CD2-CB 4.4Å; W186-K190 HydrophobicContact CZ2-CB 4.3Å; W186-K190 HydrophobicContact CZ2-CD 4.16Å; W186-K190 HydrophobicContact CZ2-CG 4.12Å; W186-K190 WeakPolarHBondContact O-CB 3.47Å; W186-K190 PolarHBondContact O-N 3.31Å; K190-F192 PolarHBondContact O-N 3.16Å; K190-L193 PolarHBondContact O-N 3.35Å; K190-L193 VanDerWaalsContact O-N 3.12Å; K190-V198 HydrophobicContact CG-CG2 4.16Å
191P97.1Very high96Very high83 Ų8347.9 Ų47.954%0.53926%0.259SS..G310 helixtrans-62.4-20.9177.9-24.735.9000115.3Q187 I189Q187-P191 VanDerWaalsContact O-CD 3.22Å; Q187-P191 WeakPolarHBondContact O-CD 3.46Å; I189-P191 VanDerWaalsContact C-CD 3.4Å; I189-P191 VanDerWaalsContact C-N 3.34Å; I189-P191 VanDerWaalsContact O-N 3.15Å
192F97.7Very high96Very high45 Ų4549.2 Ų49.220%0.19727%0.267CS..G310 helixtrans-89.2-13.6177.4-61.1-88.6000112.9Y156 A188 I189 K190 I346 A350 E351 L353Y156-F192 HydrophobicContact CD2-CB 4.14Å; Y156-F192 HydrophobicContact CD2-CD1 4.38Å; Y156-F192 HydrophobicContact CD2-CD2 4.35Å; Y156-F192 HydrophobicContact CD2-CG 4.04Å; Y156-F192 HydrophobicContact CE2-CB 3.95Å; Y156-F192 AromaticContact CE2-CD1 3.79Å; Y156-F192 HydrophobicContact CE2-CD1 3.79Å; Y156-F192 HydrophobicContact CE2-CE1 4.44Å; Y156-F192 AromaticContact CE2-CG 3.85Å; Y156-F192 HydrophobicContact CE2-CG 3.85Å; A188-F192 WeakPolarHBondContact O-CD2 3.36Å; A188-F192 WeakPolarHBondContact O-CE2 3.43Å; I189-F192 WeakPolarHBondContact O-CB 3.49Å; I189-F192 PolarHBondContact O-N 3.19Å; K190-F192 PolarHBondContact O-N 3.16Å; F192-I346 HydrophobicContact CD2-CD1 3.96Å; F192-I346 HydrophobicContact CE1-CG2 4.42Å; F192-I346 HydrophobicContact CE2-CB 4.48Å; F192-I346 HydrophobicContact CE2-CD1 3.74Å; F192-I346 HydrophobicContact CE2-CG2 3.98Å; F192-I346 HydrophobicContact CZ-CG2 3.84Å; F192-A350 HydrophobicContact CD1-CB 4.3Å; F192-A350 HydrophobicContact CE1-CB 3.64Å; F192-A350 HydrophobicContact CZ-CB 4.09Å; F192-E351 WeakPolarHBondContact CD1-O 3.49Å; F192-L353 WeakPolarHBondContact O-CB 3.32Å; F192-L353 PolarHBondContact O-N 3.08Å
193L96.2Very high96.1Very high27 Ų2751.1 Ų51.114%0.14128%0.276CS..SBendtrans-88.5143.5-176.7-61.4178.1000111.7A159 W186 I189 K190 T197 V198 L353A159-L193 HydrophobicContact CB-CD2 4.03Å; W186-L193 HydrophobicContact CH2-CD1 3.88Å; W186-L193 HydrophobicContact CZ3-CD1 3.6Å; I189-L193 HydrophobicContact CG2-CD1 4Å; I189-L193 HydrophobicContact CG2-CD2 4.17Å; I189-L193 HydrophobicContact CG2-CG 3.98Å; K190-L193 PolarHBondContact O-N 3.35Å; K190-L193 VanDerWaalsContact O-N 3.12Å; L193-T197 HydrophobicContact CD1-CG2 4.37Å; L193-T197 HydrophobicContact CD2-CG2 4.39Å; L193-V198 HydrophobicContact CB-CG2 3.82Å; L193-V198 HydrophobicContact CD1-CG2 4.43Å; L193-L353 HydrophobicContact CD2-CD1 4.01Å
194P94Very high95.9Very high32 Ų3249.2 Ų49.221%0.20827%0.268CS..  trans-68149.817030.1-32.9000109.9T196 T197 V198 L353P194-T196 PolarHBondContact O-N 2.87Å; P194-T196 VanDerWaalsContact O-N 3.15Å; P194-T197 WeakPolarHBondContact O-CB 3.37Å; P194-T197 PolarHBondContact O-N 2.97Å; P194-V198 PolarHBondContact O-N 3.38Å; P194-V198 VanDerWaalsContact O-N 3.14Å; P194-L353 WeakPolarHBondContact CD-O 3.31Å
195Q93.3Very high95.4Very high133 Ų13354.9 Ų54.962%0.62129%0.288SS*.Hα-helixtrans-59.1-31.4-177-173.457.752.500112.4T197 V198 S199Q195-T197 VanDerWaalsContact C-N 3.27Å; Q195-T197 PolarHBondContact O-N 3.08Å; Q195-V198 PolarHBondContact O-N 3.15Å; Q195-S199 PolarHBondContact NE2-OG 2.89Å; Q195-S199 WeakPolarHBondContact O-CB 3.2Å; Q195-S199 PolarHBondContact O-N 3.05Å; Q195-S199 PolarHBondContact O-OG 3.25Å
196T92.6Very high94.9Very high83 Ų8355.9 Ų55.951%0.50930%0.295SS..Hα-helixtrans-60.3-33.4174.349.50000113P194 K200P194-T196 PolarHBondContact O-N 2.87Å; P194-T196 VanDerWaalsContact O-N 3.15Å; T196-K200 WeakPolarHBondContact O-CD 3.35Å; T196-K200 WeakPolarHBondContact O-CE 3.44Å; T196-K200 VanDerWaalsContact O-CG 3.29Å; T196-K200 WeakPolarHBondContact O-CG 3.49Å
197T94.7Very high94.1Very high36 Ų3660.1 Ų60.122%0.22131%0.314CS..Hα-helixtrans-79.8-43.2175.2-64.40000111L170 L193 P194 Q195 S199 K200L170-T197 HydrophobicContact CD2-CG2 4.24Å; L193-T197 HydrophobicContact CD1-CG2 4.37Å; L193-T197 HydrophobicContact CD2-CG2 4.39Å; P194-T197 WeakPolarHBondContact O-CB 3.37Å; P194-T197 PolarHBondContact O-N 2.97Å; Q195-T197 VanDerWaalsContact C-N 3.27Å; Q195-T197 PolarHBondContact O-N 3.08Å; T197-S199 VanDerWaalsContact C-N 3.27Å; T197-S199 PolarHBondContact O-N 2.89Å; T197-K200 WeakPolarHBondContact O-CB 3.29Å; T197-K200 PolarHBondContact O-N 2.86Å
198V96.9Very high93.6Very high19 Ų1959 Ų5912%0.11532%0.319CS..Hα-helixtrans-57.4-41.5177.4175.60000111.3W186 K190 L193 P194 Q195 K200 V201W186-V198 HydrophobicContact CH2-CG2 4.47Å; W186-V198 HydrophobicContact CZ2-CG1 4.23Å; K190-V198 HydrophobicContact CG-CG2 4.16Å; L193-V198 HydrophobicContact CB-CG2 3.82Å; L193-V198 HydrophobicContact CD1-CG2 4.43Å; P194-V198 PolarHBondContact O-N 3.38Å; P194-V198 VanDerWaalsContact O-N 3.14Å; Q195-V198 PolarHBondContact O-N 3.15Å; V198-K200 PolarHBondContact O-N 2.98Å; V198-V201 PolarHBondContact O-N 3.34Å; V198-V201 VanDerWaalsContact O-N 3.14Å
199S96.5Very high93.4Very high89 Ų8963.7 Ų63.762%0.62233%0.333SS*.THydrogen-bonded Turntrans-68.4-12.1178.6-58.40000114.3Q195 T197Q195-S199 PolarHBondContact NE2-OG 2.89Å; Q195-S199 WeakPolarHBondContact O-CB 3.2Å; Q195-S199 PolarHBondContact O-N 3.05Å; Q195-S199 PolarHBondContact O-OG 3.25Å; T197-S199 VanDerWaalsContact C-N 3.27Å; T197-S199 PolarHBondContact O-N 2.89Å
200K96.7Very high93.1Very high39 Ų3963.1 Ų63.117%0.1733%0.33CS..THydrogen-bonded Turntrans-91.8-2.4175.2-64.5167.1-177.8-176.50112.6E168 L170 L172 A173 T196 T197 V198E168-K200 IonicContact OE1-NZ 2.91Å; L170-K200 HydrophobicContact CD2-CB 4.36Å; L170-K200 HydrophobicContact CG-CD 4.38Å; L170-K200 VanDerWaalsContact O-CD 3.31Å; L170-K200 WeakPolarHBondContact O-CD 3.36Å; L170-K200 WeakPolarHBondContact O-CE 3.22Å; L170-K200 PolarHBondContact O-NZ 3.19Å; L172-K200 WeakPolarHBondContact CD1-O 3.07Å; A173-K200 PolarHBondContact N-O 2.94Å; T196-K200 WeakPolarHBondContact O-CD 3.35Å; T196-K200 WeakPolarHBondContact O-CE 3.44Å; T196-K200 VanDerWaalsContact O-CG 3.29Å; T196-K200 WeakPolarHBondContact O-CG 3.49Å; T197-K200 WeakPolarHBondContact O-CB 3.29Å; T197-K200 PolarHBondContact O-N 2.86Å; V198-K200 PolarHBondContact O-N 2.98Å
201V97.2Very high93Very high24 Ų2461.7 Ų61.715%0.14532%0.324CS..EExtended strand (participates in β ladder)trans-98122.6179.4-171.90000109.9A173 W186 V198 F203A173-V201 HydrophobicContact CB-CG2 4.32Å; A173-V201 CarbonylContact O-C 3.57Å; A173-V201 WeakPolarHBondContact O-CA 3.31Å; W186-V201 HydrophobicContact CH2-CB 4.04Å; W186-V201 HydrophobicContact CH2-CG1 4.23Å; W186-V201 HydrophobicContact CH2-CG2 3.68Å; W186-V201 HydrophobicContact CZ2-CB 4.42Å; W186-V201 HydrophobicContact CZ3-CG2 4.1Å; V198-V201 PolarHBondContact O-N 3.34Å; V198-V201 VanDerWaalsContact O-N 3.14Å; V201-F203 HydrophobicContact CB-CZ 4.33Å; V201-F203 HydrophobicContact CG1-CD1 4.5Å; V201-F203 HydrophobicContact CG1-CE1 3.66Å; V201-F203 HydrophobicContact CG1-CE2 4.29Å; V201-F203 HydrophobicContact CG1-CZ 3.54Å
202C95.2Very high92.9Very high37 Ų3760.2 Ų60.225%0.2532%0.316CS..EExtended strand (participates in β ladder)trans-113.5139.9177.3179.20000110.2L172 A173 C175L172-C202 HydrophobicContact CD1-CB 4.37Å; A173-C202 PolarHBondContact O-N 2.93Å; C175-C202 PolarHBondContact N-O 2.98Å
203F95.7Very high92.7Very high64 Ų6459.1 Ų59.128%0.28131%0.313SS..EExtended strand (participates in β ladder)trans-114.7124.3180-53.6-72.8000110.2C175 P178 F182 W186 V201C175-F203 HydrophobicContact CB-CD1 3.94Å; C175-F203 HydrophobicContact CB-CE1 4.35Å; P178-F203 HydrophobicContact CB-CD1 4.47Å; P178-F203 HydrophobicContact CG-CB 4.18Å; P178-F203 HydrophobicContact CG-CD1 4.1Å; F182-F203 AromaticContact CE1-CD1 3.95Å; F182-F203 HydrophobicContact CE1-CD1 3.95Å; F182-F203 AromaticContact CE1-CE1 3.46Å; F182-F203 HydrophobicContact CE1-CE1 3.46Å; F182-F203 VanDerWaalsContact CE1-CE1 3.46Å; F182-F203 HydrophobicContact CE1-CZ 4.49Å; F182-F203 HydrophobicContact CZ-CD1 4.28Å; F182-F203 AromaticContact CZ-CE1 3.67Å; F182-F203 HydrophobicContact CZ-CE1 3.67Å; W186-F203 HydrophobicContact CD2-CZ 4.18Å; W186-F203 AromaticContact CE2-CZ 3.59Å; W186-F203 HydrophobicContact CG-CZ 4.44Å; W186-F203 AromaticContact CZ2-CZ 3.87Å; W186-F203 HydrophobicContact CZ2-CZ 3.87Å; W186-F203 AromaticContact NE1-CZ 3.46Å; V201-F203 HydrophobicContact CB-CZ 4.33Å; V201-F203 HydrophobicContact CG1-CD1 4.5Å; V201-F203 HydrophobicContact CG1-CE1 3.66Å; V201-F203 HydrophobicContact CG1-CE2 4.29Å; V201-F203 HydrophobicContact CG1-CZ 3.54Å
204I93.3Very high92.7Very high5 Ų557.9 Ų57.93%0.02631%0.306CS..EExtended strand (participates in β ladder)trans-111.2100.8178.4-50.8178.2000108.4M174 C175 V176 H177 I210 T213 F214M174-I204 HydrophobicContact SD-CD1 4.07Å; C175-I204 PolarHBondContact O-N 2.88Å; V176-I204 HydrophobicContact CG2-CD1 4.4Å; H177-I204 PolarHBondContact N-O 2.87Å; I204-I210 HydrophobicContact CG2-CB 4.15Å; I204-I210 HydrophobicContact CG2-CG1 3.68Å; I204-T213 HydrophobicContact CD1-CG2 3.59Å; I204-T213 HydrophobicContact CG1-CG2 4.02Å; I204-F214 HydrophobicContact CD1-CD1 4.22Å; I204-F214 HydrophobicContact CD1-CE1 3.81Å
205R85.2Confident92.8Very high126 Ų12661.8 Ų61.848%0.47532%0.321SS..  trans-96.9-45.2179.1-67.4-174.1176.179.45.4113.2P178 K207P178-R205 HydrophobicContact CG-CG 4.21Å; R205-K207 PolarHBondContact O-N 2.82Å
206S84.7Confident92.9Very high26 Ų2661.7 Ų61.718%0.18232%0.321CS..  trans-75.7127-176.3172.60000111.5S208 K209 I210 E322S206-S208 PolarHBondContact O-N 2.86Å; S206-S208 PolarHBondContact OG-N 3.39Å; S206-S208 PolarHBondContact OG-OG 2.78Å; S206-K209 PolarHBondContact O-N 3.01Å; S206-K209 VanDerWaalsContact O-N 3.09Å; S206-I210 WeakPolarHBondContact O-CG1 3.33Å; S206-I210 PolarHBondContact O-N 3.31Å; S206-E322 WeakPolarHBondContact CB-OE1 3.16Å; S206-E322 PolarHBondContact OG-OE1 3.24Å
207K80.7Confident92.9Very high135 Ų13561.6 Ų61.659%0.58731%0.312SS*.G310 helixtrans-56.6-38.4176.4-175.4-176.3175.5-170.60111.7R205 K209R205-K207 PolarHBondContact O-N 2.82Å; K207-K209 PolarHBondContact O-N 3.39Å
208S87.5Confident93.1Very high88 Ų8860 Ų6062%0.61530%0.302SS*.G310 helixtrans-70.1-19.8-17968.70000113.6S206S206-S208 PolarHBondContact O-N 2.86Å; S206-S208 PolarHBondContact OG-N 3.39Å; S206-S208 PolarHBondContact OG-OG 2.78Å
209K91.1Very high93.1Very high131 Ų13160.2 Ų60.257%0.5730%0.303SS*.G310 helixtrans-100.4-5.3-177.2-64.4-171.5179.3179.10114.5S206 K207 S212 T213S206-K209 PolarHBondContact O-N 3.01Å; S206-K209 VanDerWaalsContact O-N 3.09Å; K207-K209 PolarHBondContact O-N 3.39Å; K209-S212 PolarHBondContact O-OG 3.15Å; K209-T213 VanDerWaalsContact O-CB 3.31Å; K209-T213 WeakPolarHBondContact O-CB 3.44Å; K209-T213 PolarHBondContact O-N 3.47Å; K209-T213 PolarHBondContact O-OG1 2.97Å
210I91.8Very high93.1Very high3 Ų359.8 Ų59.82%0.01530%0.299CS..Hα-helixtrans-60.8-56.4-175.6-56.4176.4000110.6V176 H177 I204 S206 T213 F214 M227 V230V176-I210 HydrophobicContact CG1-CD1 4.43Å; H177-I210 VanDerWaalsContact NE2-CD1 3.26Å; H177-I210 WeakPolarHBondContact NE2-CD1 3.27Å; I204-I210 HydrophobicContact CG2-CB 4.15Å; I204-I210 HydrophobicContact CG2-CG1 3.68Å; S206-I210 WeakPolarHBondContact O-CG1 3.33Å; S206-I210 PolarHBondContact O-N 3.31Å; I210-T213 PolarHBondContact O-N 2.85Å; I210-F214 HydrophobicContact CG2-CD2 3.91Å; I210-F214 HydrophobicContact CG2-CE1 4.29Å; I210-F214 HydrophobicContact CG2-CE2 3.3Å; I210-F214 HydrophobicContact CG2-CZ 3.53Å; I210-F214 WeakPolarHBondContact O-CG 3.34Å; I210-F214 PolarHBondContact O-N 3.3Å; I210-M227 HydrophobicContact CB-SD 3.99Å; I210-M227 HydrophobicContact CG2-SD 3.58Å; I210-M227 VanDerWaalsContact CG2-SD 3.58Å; I210-V230 HydrophobicContact CD1-CG1 4.12Å
211F94.6Very high93Very high71 Ų7161.9 Ų61.931%0.31131%0.309SS..Hα-helixtrans-62.8-48.6-176.1-172.9-109.6000112T213 F214 E215 C223 M227F211-T213 PolarHBondContact O-N 3.25Å; F211-F214 WeakPolarHBondContact O-CA 3.36Å; F211-F214 WeakPolarHBondContact O-CB 3.47Å; F211-F214 PolarHBondContact O-N 2.78Å; F211-E215 HydrophobicContact CD1-CG 4.04Å; F211-E215 WeakPolarHBondContact CD1-OE2 3.29Å; F211-E215 HydrophobicContact CE1-CG 3.76Å; F211-E215 WeakPolarHBondContact CE1-OE1 3.48Å; F211-E215 WeakPolarHBondContact CE1-OE2 3.49Å; F211-E215 HydrophobicContact CE2-CG 4.43Å; F211-E215 HydrophobicContact CZ-CG 3.98Å; F211-E215 WeakPolarHBondContact O-CG 3.37Å; F211-E215 PolarHBondContact O-N 3.41Å; F211-C223 HydrophobicContact CD2-CB 4.3Å; F211-C223 HydrophobicContact CE2-CB 3.78Å; F211-M227 HydrophobicContact CB-CE 4.21Å; F211-M227 HydrophobicContact CB-CG 4.25Å; F211-M227 HydrophobicContact CB-SD 3.87Å; F211-M227 HydrophobicContact CD2-CG 3.47Å; F211-M227 VanDerWaalsContact CD2-CG 3.47Å; F211-M227 HydrophobicContact CD2-SD 4.23Å; F211-M227 HydrophobicContact CE2-CG 4.28Å; F211-M227 HydrophobicContact CG-CG 4.31Å
212S95.3Very high93Very high52 Ų5260.7 Ų60.736%0.36430%0.302SS..Hα-helixtrans-65.5-21.7179.158.30000113.7K209 Q216K209-S212 PolarHBondContact O-OG 3.15Å; S212-Q216 WeakPolarHBondContact O-CG 3.48Å; S212-Q216 PolarHBondContact O-NE2 3.04Å
213T94.1Very high93.1Very high22 Ų2259 Ų5914%0.13529%0.29CS..Hα-helixtrans-77.6-42.4169.3-550000110.8I204 K209 I210 F211 E215 Q216 Y217I204-T213 HydrophobicContact CD1-CG2 3.59Å; I204-T213 HydrophobicContact CG1-CG2 4.02Å; K209-T213 VanDerWaalsContact O-CB 3.31Å; K209-T213 WeakPolarHBondContact O-CB 3.44Å; K209-T213 PolarHBondContact O-N 3.47Å; K209-T213 PolarHBondContact O-OG1 2.97Å; I210-T213 PolarHBondContact O-N 2.85Å; F211-T213 PolarHBondContact O-N 3.25Å; T213-E215 VanDerWaalsContact C-N 3.35Å; T213-E215 PolarHBondContact O-N 3.43Å; T213-Q216 WeakPolarHBondContact O-CB 3.41Å; T213-Q216 PolarHBondContact O-N 2.82Å; T213-Y217 HydrophobicContact CG2-CE2 4.5Å; T213-Y217 VanDerWaalsContact O-CD2 3.3Å; T213-Y217 WeakPolarHBondContact O-CD2 3.37Å
214F96.3Very high93.2Very high0 Ų060.3 Ų60.30%030%0.3CS..Hα-helixtrans-60.4-43.4175.2-66.2-22.5000112.2V139 M174 V176 I204 I210 F211 Q216 Y217 F218 C223 L226 M227V139-F214 HydrophobicContact CG1-CE1 4.48Å; M174-F214 HydrophobicContact SD-CD1 3.84Å; M174-F214 HydrophobicContact SD-CE1 3.97Å; V176-F214 HydrophobicContact CG2-CE1 4.13Å; V176-F214 HydrophobicContact CG2-CZ 3.93Å; I204-F214 HydrophobicContact CD1-CD1 4.22Å; I204-F214 HydrophobicContact CD1-CE1 3.81Å; I210-F214 HydrophobicContact CG2-CD2 3.91Å; I210-F214 HydrophobicContact CG2-CE1 4.29Å; I210-F214 HydrophobicContact CG2-CE2 3.3Å; I210-F214 HydrophobicContact CG2-CZ 3.53Å; I210-F214 WeakPolarHBondContact O-CG 3.34Å; I210-F214 PolarHBondContact O-N 3.3Å; F211-F214 WeakPolarHBondContact O-CA 3.36Å; F211-F214 WeakPolarHBondContact O-CB 3.47Å; F211-F214 PolarHBondContact O-N 2.78Å; F214-Q216 PolarHBondContact O-N 3.37Å; F214-Q216 VanDerWaalsContact O-N 3.08Å; F214-Y217 PolarHBondContact O-N 3.32Å; F214-F218 HydrophobicContact CB-CD2 3.96Å; F214-F218 AromaticContact CD1-CD2 4Å; F214-F218 HydrophobicContact CD1-CD2 4Å; F214-F218 AromaticContact CD1-CE2 3.79Å; F214-F218 HydrophobicContact CD1-CE2 3.79Å; F214-F218 HydrophobicContact CE1-CE2 4.35Å; F214-F218 HydrophobicContact CG-CD2 4.17Å; F214-F218 HydrophobicContact CG-CE2 4.42Å; F214-F218 PolarHBondContact O-N 2.85Å; F214-C223 HydrophobicContact CB-CB 4.34Å; F214-L226 HydrophobicContact CD1-CD1 4.19Å; F214-L226 HydrophobicContact CD2-CB 3.82Å; F214-L226 HydrophobicContact CD2-CD1 4.14Å; F214-L226 HydrophobicContact CE1-CD1 4.2Å; F214-L226 HydrophobicContact CE2-CB 3.47Å; F214-L226 VanDerWaalsContact CE2-CB 3.47Å; F214-L226 HydrophobicContact CE2-CD1 4.16Å; F214-L226 HydrophobicContact CE2-CG 4.4Å; F214-L226 HydrophobicContact CG-CD1 4.16Å; F214-L226 HydrophobicContact CZ-CB 4.04Å; F214-L226 HydrophobicContact CZ-CD1 4.19Å; F214-M227 HydrophobicContact CD2-CG 4.36Å; F214-M227 HydrophobicContact CD2-SD 4.2Å; F214-M227 HydrophobicContact CE2-SD 4.15Å
215E95.9Very high93.4Very high114 Ų11460.6 Ų60.653%0.53330%0.301SS..THydrogen-bonded Turntrans-60.6-19.8179.1-72.8-176.5119.900113.9F211 T213 Y217F211-E215 HydrophobicContact CD1-CG 4.04Å; F211-E215 WeakPolarHBondContact CD1-OE2 3.29Å; F211-E215 HydrophobicContact CE1-CG 3.76Å; F211-E215 WeakPolarHBondContact CE1-OE1 3.48Å; F211-E215 WeakPolarHBondContact CE1-OE2 3.49Å; F211-E215 HydrophobicContact CE2-CG 4.43Å; F211-E215 HydrophobicContact CZ-CG 3.98Å; F211-E215 WeakPolarHBondContact O-CG 3.37Å; F211-E215 PolarHBondContact O-N 3.41Å; T213-E215 VanDerWaalsContact C-N 3.35Å; T213-E215 PolarHBondContact O-N 3.43Å; E215-Y217 VanDerWaalsContact C-N 3.28Å; E215-Y217 PolarHBondContact O-N 2.85Å
216Q94.2Very high94Very high131 Ų13154.6 Ų54.661%0.61228%0.278SS*.THydrogen-bonded Turntrans-74.3-18.5175.3-71.4168.651.800113.3S212 T213 F214S212-Q216 WeakPolarHBondContact O-CG 3.48Å; S212-Q216 PolarHBondContact O-NE2 3.04Å; T213-Q216 WeakPolarHBondContact O-CB 3.41Å; T213-Q216 PolarHBondContact O-N 2.82Å; F214-Q216 PolarHBondContact O-N 3.37Å; F214-Q216 VanDerWaalsContact O-N 3.08Å
217Y93.8Very high94.5Very high82 Ų8256.1 Ų56.132%0.32228%0.284SS..THydrogen-bonded Turntrans-131.2-27.4-170-59.9-83.2000114.1D90 E91 L172 M174 T213 F214 E215D90-Y217 WeakPolarHBondContact CB-O 3.35Å; E91-Y217 PolarHBondContact N-O 2.81Å; L172-Y217 HydrophobicContact CD2-CD1 3.69Å; L172-Y217 HydrophobicContact CD2-CD2 4.25Å; L172-Y217 HydrophobicContact CD2-CE1 3.94Å; L172-Y217 HydrophobicContact CD2-CE2 4.47Å; L172-Y217 HydrophobicContact CD2-CG 3.84Å; M174-Y217 HydrophobicContact CE-CD2 3.11Å; M174-Y217 HydrophobicContact CE-CE2 3.77Å; M174-Y217 HydrophobicContact CE-CG 3.57Å; T213-Y217 HydrophobicContact CG2-CE2 4.5Å; T213-Y217 VanDerWaalsContact O-CD2 3.3Å; T213-Y217 WeakPolarHBondContact O-CD2 3.37Å; F214-Y217 PolarHBondContact O-N 3.32Å; E215-Y217 VanDerWaalsContact C-N 3.28Å; E215-Y217 PolarHBondContact O-N 2.85Å
218F97.8Very high95.2Very high3 Ų351.8 Ų51.81%0.01327%0.268CS..SBendtrans-118.6147.7-168.7-53.5-35.9000111.8D90 I96 V137 V139 M174 F214 T222 C223 L226D90-F218 HydrophobicContact CB-CD1 3.75Å; D90-F218 HydrophobicContact CB-CE1 4.09Å; I96-F218 HydrophobicContact CD1-CD1 3.51Å; I96-F218 HydrophobicContact CD1-CE1 3.8Å; I96-F218 HydrophobicContact CD1-CG 4.08Å; I96-F218 HydrophobicContact CG1-CD1 4.35Å; I96-F218 HydrophobicContact CG1-CE1 4.2Å; V137-F218 HydrophobicContact CG1-CE1 3.94Å; V137-F218 HydrophobicContact CG1-CZ 3.97Å; V139-F218 HydrophobicContact CG2-CE2 3.8Å; V139-F218 HydrophobicContact CG2-CZ 3.58Å; M174-F218 HydrophobicContact CE-CE1 4.26Å; M174-F218 HydrophobicContact CE-CE2 3.7Å; M174-F218 HydrophobicContact CE-CZ 3.52Å; M174-F218 HydrophobicContact SD-CE2 3.67Å; M174-F218 HydrophobicContact SD-CZ 3.78Å; F214-F218 HydrophobicContact CB-CD2 3.96Å; F214-F218 AromaticContact CD1-CD2 4Å; F214-F218 HydrophobicContact CD1-CD2 4Å; F214-F218 AromaticContact CD1-CE2 3.79Å; F214-F218 HydrophobicContact CD1-CE2 3.79Å; F214-F218 HydrophobicContact CE1-CE2 4.35Å; F214-F218 HydrophobicContact CG-CD2 4.17Å; F214-F218 HydrophobicContact CG-CE2 4.42Å; F214-F218 PolarHBondContact O-N 2.85Å; F218-T222 HydrophobicContact CB-CG2 3.98Å; F218-T222 HydrophobicContact CD2-CG2 4.43Å; F218-T222 HydrophobicContact CG-CG2 4.19Å; F218-C223 PolarHBondContact O-SG 3.48Å; F218-L226 HydrophobicContact CD2-CD1 3.45Å; F218-L226 VanDerWaalsContact CD2-CD1 3.45Å; F218-L226 HydrophobicContact CE2-CD1 3.58Å; F218-L226 HydrophobicContact CG-CD1 4.47Å
219P97.4Very high95.6Very high22 Ų2247.6 Ų47.614%0.14324%0.239CC..  trans-65.2159.9175.128.6-35.2000111.4F89 E91 E221 T222 C223F89-P219 WeakPolarHBondContact O-CD 3.26Å; E91-P219 VanDerWaalsContact OE1-CA 3.31Å; E91-P219 WeakPolarHBondContact OE1-CA 3.41Å; P219-E221 VanDerWaalsContact C-N 3.28Å; P219-E221 PolarHBondContact O-N 3.49Å; P219-T222 PolarHBondContact O-N 2.76Å; P219-T222 VanDerWaalsContact O-N 3.12Å; P219-C223 PolarHBondContact O-N 2.91Å; P219-C223 PolarHBondContact O-SG 2.97Å; P219-C223 VanDerWaalsContact O-SG 3.38Å
220P96Very high95.7Very high81 Ų8141.6 Ų41.653%0.52621%0.213SC..Hα-helixtrans-54.9-39-175.3-2836000114.3T222 C223 N224P220-T222 PolarHBondContact O-N 2.59Å; P220-C223 PolarHBondContact O-N 3.27Å; P220-N224 WeakPolarHBondContact O-CB 3.47Å; P220-N224 VanDerWaalsContact O-CG 3.29Å; P220-N224 PolarHBondContact O-N 2.92Å; P220-N224 PolarHBondContact O-ND2 2.69Å
221E94.5Very high95.7Very high82 Ų8248.5 Ų48.538%0.38324%0.243SC..Hα-helixtrans-60.5-46.6179-63.479.6-177.700111.1P219 N224 W225P219-E221 VanDerWaalsContact C-N 3.28Å; P219-E221 PolarHBondContact O-N 3.49Å; E221-N224 PolarHBondContact O-N 2.91Å; E221-W225 WeakPolarHBondContact O-CB 3.49Å; E221-W225 PolarHBondContact O-N 3.37Å
222T97.9Very high95.5Very high0 Ų048.8 Ų48.80%025%0.245CC..Hα-helixtrans-67.9-40.9177.4-57.60000111.6I87 I96 F218 P219 P220 N224 W225 L226 D261I87-T222 HydrophobicContact CD1-CG2 3.95Å; I96-T222 HydrophobicContact CD1-CG2 3.58Å; F218-T222 HydrophobicContact CB-CG2 3.98Å; F218-T222 HydrophobicContact CD2-CG2 4.43Å; F218-T222 HydrophobicContact CG-CG2 4.19Å; P219-T222 PolarHBondContact O-N 2.76Å; P219-T222 VanDerWaalsContact O-N 3.12Å; P220-T222 PolarHBondContact O-N 2.59Å; T222-N224 VanDerWaalsContact C-N 3.35Å; T222-N224 PolarHBondContact O-N 2.88Å; T222-W225 PolarHBondContact O-N 2.89Å; T222-L226 HydrophobicContact CG2-CD1 3.92Å; T222-L226 HydrophobicContact CG2-CG 4.26Å; T222-L226 WeakPolarHBondContact O-CB 3.16Å; T222-L226 WeakPolarHBondContact O-CG 3.3Å; T222-L226 PolarHBondContact O-N 2.64Å; T222-D261 PolarHBondContact OG1-OD2 3.24Å; T222-D261 VanDerWaalsContact OG1-OD2 3.13Å
223C97.9Very high95.3Very high1 Ų146.3 Ų46.31%0.00723%0.227CC..Hα-helixtrans-57.9-48.2175.9-69.10000111.3F211 F214 F218 P219 P220 L226 M227F211-C223 HydrophobicContact CD2-CB 4.3Å; F211-C223 HydrophobicContact CE2-CB 3.78Å; F214-C223 HydrophobicContact CB-CB 4.34Å; F218-C223 PolarHBondContact O-SG 3.48Å; P219-C223 PolarHBondContact O-N 2.91Å; P219-C223 PolarHBondContact O-SG 2.97Å; P219-C223 VanDerWaalsContact O-SG 3.38Å; P220-C223 PolarHBondContact O-N 3.27Å; C223-L226 PolarHBondContact O-N 2.68Å; C223-M227 WeakPolarHBondContact O-CG 3.3Å; C223-M227 PolarHBondContact O-N 2.79Å
224N96.2Very high94.9Very high91 Ų9149.9 Ų49.949%0.48724%0.238SC..Hα-helixtrans-63.5-41.5178.3-71.9-40.4000112P220 E221 T222 T228P220-N224 WeakPolarHBondContact O-CB 3.47Å; P220-N224 VanDerWaalsContact O-CG 3.29Å; P220-N224 PolarHBondContact O-N 2.92Å; P220-N224 PolarHBondContact O-ND2 2.69Å; E221-N224 PolarHBondContact O-N 2.91Å; T222-N224 VanDerWaalsContact C-N 3.35Å; T222-N224 PolarHBondContact O-N 2.88Å; N224-T228 WeakPolarHBondContact O-CB 3.48Å; N224-T228 PolarHBondContact O-N 3.37Å; N224-T228 VanDerWaalsContact O-N 3.1Å; N224-T228 PolarHBondContact O-OG1 3Å
225W98.2Very high94.1Very high11 Ų1151.7 Ų51.74%0.04225%0.251CS..Hα-helixtrans-61.1-50.3176.2-17390.8000111.8I87 Y98 E221 T222 M227 T228 E229 H256 D257 P258 G260I87-W225 HydrophobicContact CB-CH2 4.03Å; I87-W225 HydrophobicContact CB-CZ2 4.4Å; I87-W225 HydrophobicContact CB-CZ3 4.09Å; I87-W225 HydrophobicContact CD1-CE3 4.21Å; I87-W225 HydrophobicContact CD1-CZ3 4.28Å; I87-W225 HydrophobicContact CG1-CE3 4.3Å; I87-W225 HydrophobicContact CG1-CH2 4.31Å; I87-W225 HydrophobicContact CG1-CZ3 3.89Å; I87-W225 HydrophobicContact CG2-CH2 3.56Å; I87-W225 HydrophobicContact CG2-CZ2 4.06Å; I87-W225 HydrophobicContact CG2-CZ3 4.03Å; Y98-W225 AromaticContact CD1-CH2 3.76Å; Y98-W225 HydrophobicContact CD1-CH2 3.76Å; Y98-W225 AromaticContact CD1-CZ3 3.97Å; Y98-W225 HydrophobicContact CD1-CZ3 3.97Å; Y98-W225 HydrophobicContact CD2-CZ3 4.22Å; Y98-W225 HydrophobicContact CE1-CH2 4.04Å; Y98-W225 HydrophobicContact CE1-CZ3 4.25Å; Y98-W225 HydrophobicContact CG-CH2 4.16Å; Y98-W225 AromaticContact CG-CZ3 3.94Å; Y98-W225 HydrophobicContact CG-CZ3 3.94Å; E221-W225 WeakPolarHBondContact O-CB 3.49Å; E221-W225 PolarHBondContact O-N 3.37Å; T222-W225 PolarHBondContact O-N 2.89Å; W225-M227 PolarHBondContact O-N 3.28Å; W225-T228 PolarHBondContact O-N 2.95Å; W225-E229 HydrophobicContact CD2-CG 3.98Å; W225-E229 HydrophobicContact CE3-CG 3.92Å; W225-E229 HydrophobicContact CH2-CG 3.59Å; W225-E229 HydrophobicContact CZ2-CG 3.66Å; W225-E229 HydrophobicContact CZ3-CB 4.37Å; W225-E229 HydrophobicContact CZ3-CG 3.73Å; W225-E229 WeakPolarHBondContact O-CG 3.36Å; W225-E229 PolarHBondContact O-N 3.48Å; W225-H256 AromaticContact CD1-CE1 3.48Å; W225-H256 VanDerWaalsContact CD1-CE1 3.48Å; W225-H256 AromaticContact CD1-ND1 3.72Å; W225-H256 AromaticContact CG-CE1 3.99Å; W225-H256 AromaticContact NE1-CE1 3.49Å; W225-H256 PolarHBondContact NE1-CE1 2.82Å; W225-D257 PolarHBondContact NE1-O 3.04Å; W225-P258 WeakPolarHBondContact CZ2-O 3.47Å; W225-G260 VanDerWaalsContact CD1-O 3.32Å; W225-G260 VanDerWaalsContact NE1-C 3.28Å; W225-G260 PolarHBondContact NE1-O 3.2Å; W225-G260 VanDerWaalsContact NE1-O 3.08Å
226L98.1Very high92.6Very high0 Ų048.9 Ų48.90%024%0.235CC..Hα-helixtrans-62-42.4179.8-74.6171.1000112Y98 V139 F214 F218 T222 C223 T228 E229 V230Y98-L226 HydrophobicContact CD2-CD2 3.66Å; Y98-L226 HydrophobicContact CE2-CD2 3.92Å; V139-L226 HydrophobicContact CB-CD2 4.44Å; V139-L226 HydrophobicContact CG1-CD2 3.93Å; F214-L226 HydrophobicContact CD1-CD1 4.19Å; F214-L226 HydrophobicContact CD2-CB 3.82Å; F214-L226 HydrophobicContact CD2-CD1 4.14Å; F214-L226 HydrophobicContact CE1-CD1 4.2Å; F214-L226 HydrophobicContact CE2-CB 3.47Å; F214-L226 VanDerWaalsContact CE2-CB 3.47Å; F214-L226 HydrophobicContact CE2-CD1 4.16Å; F214-L226 HydrophobicContact CE2-CG 4.4Å; F214-L226 HydrophobicContact CG-CD1 4.16Å; F214-L226 HydrophobicContact CZ-CB 4.04Å; F214-L226 HydrophobicContact CZ-CD1 4.19Å; F218-L226 HydrophobicContact CD2-CD1 3.45Å; F218-L226 VanDerWaalsContact CD2-CD1 3.45Å; F218-L226 HydrophobicContact CE2-CD1 3.58Å; F218-L226 HydrophobicContact CG-CD1 4.47Å; T222-L226 HydrophobicContact CG2-CD1 3.92Å; T222-L226 HydrophobicContact CG2-CG 4.26Å; T222-L226 WeakPolarHBondContact O-CB 3.16Å; T222-L226 WeakPolarHBondContact O-CG 3.3Å; T222-L226 PolarHBondContact O-N 2.64Å; C223-L226 PolarHBondContact O-N 2.68Å; L226-T228 VanDerWaalsContact C-N 3.31Å; L226-T228 PolarHBondContact O-N 2.97Å; L226-E229 PolarHBondContact O-N 3.1Å; L226-V230 WeakPolarHBondContact O-CB 3.48Å; L226-V230 VanDerWaalsContact O-CG2 3.28Å; L226-V230 WeakPolarHBondContact O-CG2 3.5Å; L226-V230 PolarHBondContact O-N 2.88Å
227M95.9Very high90.8Very high59 Ų5949.4 Ų49.429%0.29124%0.238SC..Hα-helixtrans-61.3-41176.4-76.6-57.8-67.100112.4I210 F211 F214 C223 W225 K231I210-M227 HydrophobicContact CB-SD 3.99Å; I210-M227 HydrophobicContact CG2-SD 3.58Å; I210-M227 VanDerWaalsContact CG2-SD 3.58Å; F211-M227 HydrophobicContact CB-CE 4.21Å; F211-M227 HydrophobicContact CB-CG 4.25Å; F211-M227 HydrophobicContact CB-SD 3.87Å; F211-M227 HydrophobicContact CD2-CG 3.47Å; F211-M227 VanDerWaalsContact CD2-CG 3.47Å; F211-M227 HydrophobicContact CD2-SD 4.23Å; F211-M227 HydrophobicContact CE2-CG 4.28Å; F211-M227 HydrophobicContact CG-CG 4.31Å; F214-M227 HydrophobicContact CD2-CG 4.36Å; F214-M227 HydrophobicContact CD2-SD 4.2Å; F214-M227 HydrophobicContact CE2-SD 4.15Å; C223-M227 WeakPolarHBondContact O-CG 3.3Å; C223-M227 PolarHBondContact O-N 2.79Å; W225-M227 PolarHBondContact O-N 3.28Å; M227-K231 WeakPolarHBondContact O-CB 3.29Å; M227-K231 PolarHBondContact O-N 3.13Å
228T95.2Very high88.8Confident44 Ų4450.2 Ų50.227%0.2725%0.251SS..Hα-helixtrans-65.2-44.3178.4-58.20000110.8N224 W225 L226 K231 F232 H256N224-T228 WeakPolarHBondContact O-CB 3.48Å; N224-T228 PolarHBondContact O-N 3.37Å; N224-T228 VanDerWaalsContact O-N 3.1Å; N224-T228 PolarHBondContact O-OG1 3Å; W225-T228 PolarHBondContact O-N 2.95Å; L226-T228 VanDerWaalsContact C-N 3.31Å; L226-T228 PolarHBondContact O-N 2.97Å; T228-K231 PolarHBondContact O-N 3.42Å; T228-F232 HydrophobicContact CG2-CD2 3.87Å; T228-F232 HydrophobicContact CG2-CE2 3.41Å; T228-F232 VanDerWaalsContact CG2-CE2 3.41Å; T228-F232 HydrophobicContact CG2-CZ 3.88Å; T228-F232 WeakPolarHBondContact O-CD2 3.42Å; T228-F232 WeakPolarHBondContact O-CG 3.45Å; T228-F232 PolarHBondContact O-N 3.2Å; T228-H256 HydrophobicContact CG2-CB 4.22Å; T228-H256 WeakPolarHBondContact CG2-ND1 3.27Å
229E95.6Very high86.9Confident0 Ų053.4 Ų53.40%027%0.271CS..Hα-helixtrans-63.3-46.6176.7-73.5-68.8119.800112.9R85 Q103 W225 L226 K231 F232 N233 R243 H256R85-E229 IonicContact NH2-OE2 3.8Å; Q103-E229 PolarHBondContact NE2-OE2 3.44Å; W225-E229 HydrophobicContact CD2-CG 3.98Å; W225-E229 HydrophobicContact CE3-CG 3.92Å; W225-E229 HydrophobicContact CH2-CG 3.59Å; W225-E229 HydrophobicContact CZ2-CG 3.66Å; W225-E229 HydrophobicContact CZ3-CB 4.37Å; W225-E229 HydrophobicContact CZ3-CG 3.73Å; W225-E229 WeakPolarHBondContact O-CG 3.36Å; W225-E229 PolarHBondContact O-N 3.48Å; L226-E229 PolarHBondContact O-N 3.1Å; E229-K231 VanDerWaalsContact C-N 3.3Å; E229-K231 PolarHBondContact O-N 3.44Å; E229-F232 PolarHBondContact O-N 2.91Å; E229-N233 WeakPolarHBondContact O-CB 3.35Å; E229-N233 PolarHBondContact O-N 2.78Å; E229-N233 PolarHBondContact O-ND2 3.2Å; E229-N233 PolarHBondContact O-OD1 2.81Å; E229-R243 VanDerWaalsContact CD-NH2 3.31Å; E229-R243 IonicContact OE1-CZ 3.2Å; E229-R243 IonicContact OE1-NH1 2.87Å; E229-R243 PolarHBondContact OE1-NH1 2.99Å; E229-R243 IonicContact OE1-NH2 3.75Å; E229-R243 PolarHBondContact OE1-NH2 2.94Å; E229-R243 IonicContact OE2-CZ 3.04Å; E229-R243 IonicContact OE2-NH1 3.49Å; E229-R243 PolarHBondContact OE2-NH1 3.27Å; E229-R243 IonicContact OE2-NH2 3.41Å; E229-R243 PolarHBondContact OE2-NH2 3.16Å; E229-H256 IonicContact OE1-CD2 3.95Å; E229-H256 IonicContact OE1-CE1 3.53Å; E229-H256 PolarHBondContact OE1-CE1 3.26Å; E229-H256 IonicContact OE1-NE2 3.86Å; E229-H256 PolarHBondContact OE1-NE2 3.42Å
230V93.5Very high85.2Confident5 Ų557.9 Ų57.93%0.0329%0.294CS..Hα-helixtrans-60.4-41.8176.4169.70000110.8V176 I210 L226 N233 R234V176-V230 HydrophobicContact CG1-CG1 4.32Å; V176-V230 HydrophobicContact CG1-CG2 4.04Å; I210-V230 HydrophobicContact CD1-CG1 4.12Å; L226-V230 WeakPolarHBondContact O-CB 3.48Å; L226-V230 VanDerWaalsContact O-CG2 3.28Å; L226-V230 WeakPolarHBondContact O-CG2 3.5Å; L226-V230 PolarHBondContact O-N 2.88Å; V230-N233 PolarHBondContact O-N 2.78Å; V230-R234 PolarHBondContact O-N 3.43Å; V230-R234 VanDerWaalsContact O-N 3.16Å
231K92Very high84Confident148 Ų14862 Ų6264%0.64330%0.303SS*.Hα-helixtrans-61.4-47.6175.9-177.4-179.7178.1-179.10111.4M227 T228 E229 R234 S235M227-K231 WeakPolarHBondContact O-CB 3.29Å; M227-K231 PolarHBondContact O-N 3.13Å; T228-K231 PolarHBondContact O-N 3.42Å; E229-K231 VanDerWaalsContact C-N 3.3Å; E229-K231 PolarHBondContact O-N 3.44Å; K231-R234 PolarHBondContact O-N 2.86Å; K231-S235 PolarHBondContact O-N 3.14Å
232F90.6Very high83.2Confident77 Ų7759.1 Ų59.134%0.33829%0.29SS..Hα-helixtrans-64.4-39.5178.1-71.7-31000112.7T228 E229 R234 S235 R236 H256T228-F232 HydrophobicContact CG2-CD2 3.87Å; T228-F232 HydrophobicContact CG2-CE2 3.41Å; T228-F232 VanDerWaalsContact CG2-CE2 3.41Å; T228-F232 HydrophobicContact CG2-CZ 3.88Å; T228-F232 WeakPolarHBondContact O-CD2 3.42Å; T228-F232 WeakPolarHBondContact O-CG 3.45Å; T228-F232 PolarHBondContact O-N 3.2Å; E229-F232 PolarHBondContact O-N 2.91Å; F232-R234 VanDerWaalsContact C-N 3.29Å; F232-R234 PolarHBondContact O-N 2.93Å; F232-S235 PolarHBondContact O-N 3.32Å; F232-S235 PolarHBondContact O-OG 2.95Å; F232-S235 VanDerWaalsContact O-OG 3.08Å; F232-R236 WeakPolarHBondContact O-CG 3.28Å; F232-R236 PolarHBondContact O-N 3.21Å; F232-R236 VanDerWaalsContact O-N 3.11Å; F232-H256 AromaticContact CE2-CD2 3.76Å
233N90.6Very high82.6Confident0 Ų061.6 Ų61.60%030%0.299CS..Hα-helixtrans-66.5-32.3-179.7-65.4-20.3000112Y98 S100 D141 T143 E229 V230 R243Y98-N233 PolarHBondContact OH-ND2 3.12Å; S100-N233 WeakPolarHBondContact CB-ND2 3.04Å; S100-N233 PolarHBondContact OG-ND2 3.06Å; D141-N233 WeakPolarHBondContact OD2-CB 3.24Å; D141-N233 PolarHBondContact OD2-ND2 2.91Å; T143-N233 HydrophobicContact CG2-CB 4.49Å; E229-N233 WeakPolarHBondContact O-CB 3.35Å; E229-N233 PolarHBondContact O-N 2.78Å; E229-N233 PolarHBondContact O-ND2 3.2Å; E229-N233 PolarHBondContact O-OD1 2.81Å; V230-N233 PolarHBondContact O-N 2.78Å; N233-R243 PolarHBondContact OD1-NH2 2.89Å
234R85Confident82.3Confident96 Ų9662.4 Ų62.436%0.36230%0.304SS..Hα-helixtrans-74.6-39.5172.5-68.9-170.680.41551.9113T143 H177 V230 K231 F232 R236 Q237T143-R234 HydrophobicContact CG2-CG 4.21Å; H177-R234 PolarHBondContact CE1-NH1 3.36Å; H177-R234 PolarHBondContact NE2-NH1 3.15Å; V230-R234 PolarHBondContact O-N 3.43Å; V230-R234 VanDerWaalsContact O-N 3.16Å; K231-R234 PolarHBondContact O-N 2.86Å; F232-R234 VanDerWaalsContact C-N 3.29Å; F232-R234 PolarHBondContact O-N 2.93Å; R234-R236 PolarHBondContact O-N 3.14Å; R234-Q237 PolarHBondContact O-N 3.32Å
235S79.3Confident82.2Confident38 Ų3858.1 Ų58.127%0.26628%0.281SS..Hα-helixtrans-68.3-21.4178.968.60000113.1K231 F232 Q237 T238K231-S235 PolarHBondContact O-N 3.14Å; F232-S235 PolarHBondContact O-N 3.32Å; F232-S235 PolarHBondContact O-OG 2.95Å; F232-S235 VanDerWaalsContact O-OG 3.08Å; S235-Q237 PolarHBondContact O-N 2.99Å; S235-Q237 VanDerWaalsContact O-N 3.12Å; S235-T238 PolarHBondContact O-N 3.14Å; S235-T238 VanDerWaalsContact O-N 3.12Å; S235-T238 PolarHBondContact O-OG1 2.99Å
236R64.3Low82Confident56 Ų5657.6 Ų57.621%0.21128%0.279CS..G310 helixtrans-58.7-21.3175.3-80.1-166.271.8174.1-1.5114.4S102 F232 R234 T238 T239 K241S102-R236 PolarHBondContact O-NH1 3.31Å; F232-R236 WeakPolarHBondContact O-CG 3.28Å; F232-R236 PolarHBondContact O-N 3.21Å; F232-R236 VanDerWaalsContact O-N 3.11Å; R234-R236 PolarHBondContact O-N 3.14Å; R236-T238 PolarHBondContact O-N 3.46Å; R236-T239 PolarHBondContact O-N 2.96Å; R236-K241 PolarHBondContact NH2-O 3.01Å
237Q56.6Low81.8Confident141 Ų14158.9 Ų58.966%0.65929%0.286SS*.G310 helixtrans-57.9-13.4174.9-68.4-174.5-13.900112.8R234 S235R234-Q237 PolarHBondContact O-N 3.32Å; S235-Q237 PolarHBondContact O-N 2.99Å; S235-Q237 VanDerWaalsContact O-N 3.12Å
238T52.9Low81.6Confident99 Ų9957.9 Ų57.961%0.60728%0.284SS*.G310 helixtrans-108.9-3.9176.266.40000115.1S235 R236S235-T238 PolarHBondContact O-N 3.14Å; S235-T238 VanDerWaalsContact O-N 3.12Å; S235-T238 PolarHBondContact O-OG1 2.99Å; R236-T238 PolarHBondContact O-N 3.46Å
239T57.2Low81.4Confident71 Ų7157.5 Ų57.544%0.43628%0.282SS..  trans-129.2130-176.574.50000113.1R236 K241R236-T239 PolarHBondContact O-N 2.96Å; T239-K241 PolarHBondContact O-N 3.41Å
240N60.6Low80.8Confident115 Ų11565.5 Ų65.562%0.61532%0.317SS*.  trans-76.8-2.5178.7-73.4-12.4000114.3
241K71.8Confident80.5Confident167 Ų16769.3 Ų69.373%0.72634%0.337SS*.  trans-84.6126.4-175.3-67.5-171.3179.2-175.60111R236 T239R236-K241 PolarHBondContact NH2-O 3.01Å; T239-K241 PolarHBondContact O-N 3.41Å
242Y78.7Confident79.9Confident23 Ų2368 Ų689%0.0934%0.344CS..  trans-72134.3172.2-178.1-102.5000110.9Q103 I105 P244 W246 L300Q103-Y242 VanDerWaalsContact O-CE2 3.25Å; Q103-Y242 WeakPolarHBondContact O-CE2 3.48Å; Q103-Y242 PolarHBondContact O-OH 2.99Å; I105-Y242 HydrophobicContact CD1-CD1 4.35Å; I105-Y242 HydrophobicContact CD1-CD2 4.44Å; I105-Y242 HydrophobicContact CD1-CE1 3.91Å; I105-Y242 HydrophobicContact CD1-CE2 4.03Å; I105-Y242 HydrophobicContact CG1-CD2 3.83Å; I105-Y242 HydrophobicContact CG1-CE1 4.22Å; I105-Y242 HydrophobicContact CG1-CE2 3.4Å; I105-Y242 VanDerWaalsContact CG1-CE2 3.4Å; I105-Y242 HydrophobicContact CG1-CG 4.42Å; Y242-P244 HydrophobicContact CD1-CB 4.32Å; Y242-P244 HydrophobicContact CE1-CB 3.98Å; Y242-P244 VanDerWaalsContact O-CD 3.27Å; Y242-P244 WeakPolarHBondContact O-CD 3.26Å; Y242-W246 AromaticContact CE1-CH2 3.47Å; Y242-W246 HydrophobicContact CE1-CH2 3.47Å; Y242-W246 VanDerWaalsContact CE1-CH2 3.47Å; Y242-W246 HydrophobicContact CE1-CZ2 4.42Å; Y242-W246 AromaticContact CE1-CZ3 3.73Å; Y242-W246 HydrophobicContact CE1-CZ3 3.73Å; Y242-W246 AromaticContact CZ-CZ3 3.94Å; Y242-W246 VanDerWaalsContact OH-CZ3 3.24Å; Y242-W246 WeakPolarHBondContact OH-CZ3 3.44Å; Y242-L300 HydrophobicContact CD1-CD1 3.73Å; Y242-L300 HydrophobicContact CD2-CD1 4.35Å; Y242-L300 HydrophobicContact CE1-CD1 4.38Å; Y242-L300 HydrophobicContact CG-CD1 3.72Å
243R85.3Confident79.7Confident52 Ų5271 Ų7120%0.19636%0.363CS..  trans-102.299.3177.3-175.7173.264.394.5-4.7109.3E229 N233 F245 P258E229-R243 VanDerWaalsContact CD-NH2 3.31Å; E229-R243 IonicContact OE1-CZ 3.2Å; E229-R243 IonicContact OE1-NH1 2.87Å; E229-R243 PolarHBondContact OE1-NH1 2.99Å; E229-R243 IonicContact OE1-NH2 3.75Å; E229-R243 PolarHBondContact OE1-NH2 2.94Å; E229-R243 IonicContact OE2-CZ 3.04Å; E229-R243 IonicContact OE2-NH1 3.49Å; E229-R243 PolarHBondContact OE2-NH1 3.27Å; E229-R243 IonicContact OE2-NH2 3.41Å; E229-R243 PolarHBondContact OE2-NH2 3.16Å; N233-R243 PolarHBondContact OD1-NH2 2.89Å; R243-F245 PolarHBondContact O-N 2.88Å; R243-P258 VanDerWaalsContact NH1-CB 3.35Å
244P89.9Confident79.5Confident18 Ų1874.8 Ų74.812%0.11738%0.383CS..  trans-70.6102.2-178.729.8-36.3000110.5Y242 W246 L247Y242-P244 HydrophobicContact CD1-CB 4.32Å; Y242-P244 HydrophobicContact CE1-CB 3.98Å; Y242-P244 VanDerWaalsContact O-CD 3.27Å; Y242-P244 WeakPolarHBondContact O-CD 3.26Å; P244-W246 HydrophobicContact CB-CD2 3.94Å; P244-W246 HydrophobicContact CB-CE3 4.15Å; P244-W246 HydrophobicContact CB-CH2 3.84Å; P244-W246 HydrophobicContact CB-CZ2 3.55Å; P244-W246 HydrophobicContact CB-CZ3 4.09Å; P244-W246 PolarHBondContact O-N 3.21Å; P244-L247 HydrophobicContact CB-CD1 4.09Å; P244-L247 HydrophobicContact CB-CG 4.01Å; P244-L247 HydrophobicContact CG-CB 4.4Å; P244-L247 HydrophobicContact CG-CD1 3.42Å; P244-L247 VanDerWaalsContact CG-CD1 3.42Å; P244-L247 HydrophobicContact CG-CG 3.82Å; P244-L247 PolarHBondContact O-N 3.48Å; P244-L247 VanDerWaalsContact O-N 3.16Å
245F94Very high79.5Confident0 Ų080.1 Ų80.10%041%0.409CS..THydrogen-bonded Turntrans-64.1-15.3-175.366.5-98.2000113.9H82 Q103 R243 L247 P258 R259 H280H82-F245 WeakPolarHBondContact O-CZ 3.37Å; Q103-F245 HydrophobicContact CB-CD1 4.19Å; R243-F245 PolarHBondContact O-N 2.88Å; F245-L247 VanDerWaalsContact C-N 3.34Å; F245-P258 HydrophobicContact CB-CB 4.27Å; F245-P258 CarbonylContact O-C 3.1Å; F245-R259 WeakPolarHBondContact O-CG 3.47Å; F245-R259 PolarHBondContact O-N 3.33Å; F245-H280 HydrophobicContact CE2-CB 4.33Å; F245-H280 AromaticContact CE2-CD2 3.99Å; F245-H280 AromaticContact CE2-CG 3.76Å; F245-H280 AromaticContact CE2-ND1 3.76Å; F245-H280 AromaticContact CZ-CD2 3.98Å; F245-H280 AromaticContact CZ-CE1 3.58Å; F245-H280 AromaticContact CZ-ND1 3.79Å; F245-H280 AromaticContact CZ-NE2 3.7Å
246W94.5Very high80.3Confident1 Ų179.3 Ų79.30%0.00440%0.401CS..THydrogen-bonded Turntrans-84.4-8179.959.589.4000113.7P79 Y242 P244 R259 N282 I283 L291 Y296P79-W246 HydrophobicContact CB-CH2 3.93Å; P79-W246 HydrophobicContact CB-CZ2 3.67Å; Y242-W246 AromaticContact CE1-CH2 3.47Å; Y242-W246 HydrophobicContact CE1-CH2 3.47Å; Y242-W246 VanDerWaalsContact CE1-CH2 3.47Å; Y242-W246 HydrophobicContact CE1-CZ2 4.42Å; Y242-W246 AromaticContact CE1-CZ3 3.73Å; Y242-W246 HydrophobicContact CE1-CZ3 3.73Å; Y242-W246 AromaticContact CZ-CZ3 3.94Å; Y242-W246 VanDerWaalsContact OH-CZ3 3.24Å; Y242-W246 WeakPolarHBondContact OH-CZ3 3.44Å; P244-W246 HydrophobicContact CB-CD2 3.94Å; P244-W246 HydrophobicContact CB-CE3 4.15Å; P244-W246 HydrophobicContact CB-CH2 3.84Å; P244-W246 HydrophobicContact CB-CZ2 3.55Å; P244-W246 HydrophobicContact CB-CZ3 4.09Å; P244-W246 PolarHBondContact O-N 3.21Å; W246-R259 WeakPolarHBondContact O-CD 3.48Å; W246-N282 HydrophobicContact CB-CB 3.78Å; W246-N282 HydrophobicContact CD2-CB 3.77Å; W246-N282 HydrophobicContact CE3-CB 4.1Å; W246-N282 HydrophobicContact CG-CB 3.63Å; W246-I283 HydrophobicContact CB-CG1 3.67Å; W246-L291 HydrophobicContact CG-CD1 4.47Å; W246-Y296 HydrophobicContact CZ2-CD1 4.29Å; W246-Y296 HydrophobicContact CZ2-CG 4.32Å
247L93.2Very high81.8Confident26 Ų2677.5 Ų77.514%0.13640%0.396CS..SBendtrans-88.1142.6176.6-61.1-173.1000110.9P244 F245 P258 Y286P244-L247 HydrophobicContact CB-CD1 4.09Å; P244-L247 HydrophobicContact CB-CG 4.01Å; P244-L247 HydrophobicContact CG-CB 4.4Å; P244-L247 HydrophobicContact CG-CD1 3.42Å; P244-L247 VanDerWaalsContact CG-CD1 3.42Å; P244-L247 HydrophobicContact CG-CG 3.82Å; P244-L247 PolarHBondContact O-N 3.48Å; P244-L247 VanDerWaalsContact O-N 3.16Å; F245-L247 VanDerWaalsContact C-N 3.34Å; L247-P258 VanDerWaalsContact O-CG 3.3Å; L247-P258 WeakPolarHBondContact O-CG 3.42Å; L247-Y286 HydrophobicContact CD2-CD2 3.43Å; L247-Y286 VanDerWaalsContact CD2-CD2 3.43Å; L247-Y286 HydrophobicContact CD2-CE2 3.53Å; L247-Y286 HydrophobicContact CD2-CG 4.09Å
248P92.7Very high83.6Confident39 Ų3971.4 Ų71.425%0.25337%0.368SS..PPolyproline II helixtrans-60.1161.2166.827.7-34.4000110.8K250 Y286P248-K250 PolarHBondContact O-N 2.98Å; P248-Y286 HydrophobicContact CG-CE1 3.91Å; P248-Y286 WeakPolarHBondContact CG-OH 3.12Å
249P90.4Very high85.7Confident36 Ų3667.9 Ų67.923%0.23434%0.344CS..PPolyproline II helixtrans-55.8141.3169.423.9-32.2000110.6D254 D257P249-D254 HydrophobicContact CB-CB 3.86Å; P249-D257 WeakPolarHBondContact CD-OD2 3.21Å
250K83.4Confident87.7Confident168 Ų16864.6 Ų64.673%0.7332%0.324SS*.SBendtrans-70.4-37.2178.2-70.4-173.7177.7-174.90111.8P248 E297P248-K250 PolarHBondContact O-N 2.98Å; K250-E297 WeakPolarHBondContact CE-OE1 3.37Å; K250-E297 VanDerWaalsContact NZ-CD 3.3Å; K250-E297 IonicContact NZ-OE1 2.78Å; K250-E297 PolarHBondContact NZ-OE1 3.41Å; K250-E297 IonicContact NZ-OE2 3.64Å; K250-E297 PolarHBondContact NZ-OE2 3.23Å
251D87.1Confident89.4Confident85 Ų8559.4 Ų59.446%0.45530%0.296SS..SBendtrans-92.9119.1176.7-173.5-13000108.4D253 D254D251-D253 PolarHBondContact O-N 3.44Å; D251-D253 WeakPolarHBondContact OD1-CB 3.43Å; D251-D253 PolarHBondContact OD1-N 3.05Å; D251-D254 HydrophobicContact CB-CB 4.24Å; D251-D254 VanDerWaalsContact O-CB 3.31Å; D251-D254 WeakPolarHBondContact O-CB 3.5Å; D251-D254 PolarHBondContact O-N 2.83Å
252P80.5Confident90.5Very high120 Ų12058.7 Ų58.778%0.77930%0.295SS*.THydrogen-bonded Turntrans-63.8-17.7177.427.5-35.6000113.5D254P252-D254 VanDerWaalsContact C-N 3.34Å
253D85.3Confident91.2Very high139 Ų13960.7 Ų60.774%0.74331%0.307SS*.THydrogen-bonded Turntrans-84.5-9.5174.5-66.3-36.9000112.6D251 K255D251-D253 PolarHBondContact O-N 3.44Å; D251-D253 WeakPolarHBondContact OD1-CB 3.43Å; D251-D253 PolarHBondContact OD1-N 3.05Å; D253-K255 PolarHBondContact O-N 3.11Å
254D86.3Confident91.8Very high81 Ų8158.2 Ų58.243%0.43330%0.298SS..  trans-69.4119.8173-167-10000109.9P249 D251 P252 H256P249-D254 HydrophobicContact CB-CB 3.86Å; D251-D254 HydrophobicContact CB-CB 4.24Å; D251-D254 VanDerWaalsContact O-CB 3.31Å; D251-D254 WeakPolarHBondContact O-CB 3.5Å; D251-D254 PolarHBondContact O-N 2.83Å; P252-D254 VanDerWaalsContact C-N 3.34Å; D254-H256 PolarHBondContact O-N 3.48Å; D254-H256 PolarHBondContact OD1-N 3.31Å
255K86.1Confident92.1Very high208 Ų20858 Ų5890%0.90430%0.296SS*.  trans-76.9-13.3-179.9-62.5-176.1-179.9179.90112.4D253D253-K255 PolarHBondContact O-N 3.11Å
256H94.5Very high92.1Very high20 Ų2064.2 Ų64.29%0.09332%0.319CS..  trans-99.3115-176.7-173.968.6000111.8W225 T228 E229 F232 D254W225-H256 AromaticContact CD1-CE1 3.48Å; W225-H256 VanDerWaalsContact CD1-CE1 3.48Å; W225-H256 AromaticContact CD1-ND1 3.72Å; W225-H256 AromaticContact CG-CE1 3.99Å; W225-H256 AromaticContact NE1-CE1 3.49Å; W225-H256 PolarHBondContact NE1-CE1 2.82Å; T228-H256 HydrophobicContact CG2-CB 4.22Å; T228-H256 WeakPolarHBondContact CG2-ND1 3.27Å; E229-H256 IonicContact OE1-CD2 3.95Å; E229-H256 IonicContact OE1-CE1 3.53Å; E229-H256 PolarHBondContact OE1-CE1 3.26Å; E229-H256 IonicContact OE1-NE2 3.86Å; E229-H256 PolarHBondContact OE1-NE2 3.42Å; F232-H256 AromaticContact CE2-CD2 3.76Å; D254-H256 PolarHBondContact O-N 3.48Å; D254-H256 PolarHBondContact OD1-N 3.31Å
257D96.4Very high92.2Very high19 Ų1966 Ų6610%0.10233%0.329CS..  trans-108.2114.7175.3-170.2-40.3000110.4W225 P249 R259 G260 V265W225-D257 PolarHBondContact NE1-O 3.04Å; P249-D257 WeakPolarHBondContact CD-OD2 3.21Å; D257-R259 PolarHBondContact O-N 3.45Å; D257-R259 WeakPolarHBondContact OD1-CB 3.48Å; D257-R259 VanDerWaalsContact OD1-CG 3.24Å; D257-R259 WeakPolarHBondContact OD1-CG 3.37Å; D257-R259 IonicContact OD1-CZ 2.7Å; D257-R259 PolarHBondContact OD1-N 2.99Å; D257-R259 IonicContact OD1-NE 3.56Å; D257-R259 PolarHBondContact OD1-NE 2.92Å; D257-R259 IonicContact OD1-NH2 3.27Å; D257-R259 IonicContact OD2-CZ 3.36Å; D257-R259 VanDerWaalsContact OD2-CZ 3.28Å; D257-R259 IonicContact OD2-NE 2.71Å; D257-R259 PolarHBondContact OD2-NE 3.03Å; D257-R259 VanDerWaalsContact OD2-NE 3.13Å; D257-R259 IonicContact OD2-NH2 3.41Å; D257-R259 PolarHBondContact OD2-NH2 3.34Å; D257-G260 PolarHBondContact O-N 3.42Å; D257-V265 HydrophobicContact CB-CG2 4.1Å
258P95.8Very high92.2Very high13 Ų1365.6 Ų65.68%0.08433%0.326CS..THydrogen-bonded Turntrans-68.2-5.7-174.432.8-39.2000114.2R85 W225 R243 F245 L247R85-P258 PolarHBondContact NE-O 3.18Å; R85-P258 PolarHBondContact NH2-O 3.09Å; W225-P258 WeakPolarHBondContact CZ2-O 3.47Å; R243-P258 VanDerWaalsContact NH1-CB 3.35Å; F245-P258 HydrophobicContact CB-CB 4.27Å; F245-P258 CarbonylContact O-C 3.1Å; L247-P258 VanDerWaalsContact O-CG 3.3Å; L247-P258 WeakPolarHBondContact O-CG 3.42Å
259R96.9Very high92.3Very high25 Ų2563.9 Ų63.99%0.09431%0.314CS..THydrogen-bonded Turntrans-78.6-27.4178.3-59.2173.9-65173.93.8112.4F245 W246 D257 V265 L269 I283F245-R259 WeakPolarHBondContact O-CG 3.47Å; F245-R259 PolarHBondContact O-N 3.33Å; W246-R259 WeakPolarHBondContact O-CD 3.48Å; D257-R259 PolarHBondContact O-N 3.45Å; D257-R259 WeakPolarHBondContact OD1-CB 3.48Å; D257-R259 VanDerWaalsContact OD1-CG 3.24Å; D257-R259 WeakPolarHBondContact OD1-CG 3.37Å; D257-R259 IonicContact OD1-CZ 2.7Å; D257-R259 PolarHBondContact OD1-N 2.99Å; D257-R259 IonicContact OD1-NE 3.56Å; D257-R259 PolarHBondContact OD1-NE 2.92Å; D257-R259 IonicContact OD1-NH2 3.27Å; D257-R259 IonicContact OD2-CZ 3.36Å; D257-R259 VanDerWaalsContact OD2-CZ 3.28Å; D257-R259 IonicContact OD2-NE 2.71Å; D257-R259 PolarHBondContact OD2-NE 3.03Å; D257-R259 VanDerWaalsContact OD2-NE 3.13Å; D257-R259 IonicContact OD2-NH2 3.41Å; D257-R259 PolarHBondContact OD2-NH2 3.34Å; R259-V265 HydrophobicContact CB-CG2 4.33Å; R259-L269 HydrophobicContact CB-CD1 3.67Å; R259-L269 HydrophobicContact CG-CD1 4.47Å; R259-I283 HydrophobicContact CB-CD1 3.9Å; R259-I283 HydrophobicContact CG-CD1 4.06Å; R259-I283 HydrophobicContact CG-CG1 4.23Å
260G98Very high92.3Very high1 Ų167.1 Ų67.11%0.0133%0.333CS..SBendtrans166.7-177.5174.200000113I87 W225 D257 V265I87-G260 CarbonylContact O-C 3.55Å; I87-G260 WeakPolarHBondContact O-CA 3.45Å; W225-G260 VanDerWaalsContact CD1-O 3.32Å; W225-G260 VanDerWaalsContact NE1-C 3.28Å; W225-G260 PolarHBondContact NE1-O 3.2Å; W225-G260 VanDerWaalsContact NE1-O 3.08Å; D257-G260 PolarHBondContact O-N 3.42Å; G260-V265 WeakPolarHBondContact O-CG2 3.5Å
261D97.3Very high92.7Very high6 Ų664.9 Ų64.93%0.03233%0.328CS..  trans-60.9162.1173.778.746.9000111.4I87 G88 T222 I263 Y264 V265I87-D261 PolarHBondContact O-N 3.26Å; G88-D261 WeakPolarHBondContact CA-OD2 2.93Å; T222-D261 PolarHBondContact OG1-OD2 3.24Å; T222-D261 VanDerWaalsContact OG1-OD2 3.13Å; D261-I263 VanDerWaalsContact C-N 3.25Å; D261-I263 PolarHBondContact O-N 3.07Å; D261-I263 WeakPolarHBondContact OD1-CA 3.22Å; D261-I263 WeakPolarHBondContact OD1-CB 3.24Å; D261-I263 PolarHBondContact OD1-N 3.14Å; D261-Y264 PolarHBondContact O-N 3.42Å; D261-Y264 PolarHBondContact OD1-N 3.32Å; D261-V265 WeakPolarHBondContact O-CG2 3.48Å; D261-V265 PolarHBondContact O-N 2.93Å
262Q94.5Very high92.5Very high152 Ų15265.9 Ų65.971%0.7133%0.334SS*.Hα-helixtrans-59.7-34.9-173.3-168.6179.520.300113.2R266Q262-R266 VanDerWaalsContact O-CB 3.25Å; Q262-R266 WeakPolarHBondContact O-CB 3.5Å; Q262-R266 PolarHBondContact O-N 2.81Å
263I94.1Very high92.8Very high65 Ų6563.4 Ų63.433%0.33331%0.312SS..Hα-helixtrans-72.6-45.4-179.7-62.4174000109.3D261 R266 D267D261-I263 VanDerWaalsContact C-N 3.25Å; D261-I263 PolarHBondContact O-N 3.07Å; D261-I263 WeakPolarHBondContact OD1-CA 3.22Å; D261-I263 WeakPolarHBondContact OD1-CB 3.24Å; D261-I263 PolarHBondContact OD1-N 3.14Å; I263-R266 PolarHBondContact O-N 2.97Å; I263-D267 WeakPolarHBondContact O-CB 3.28Å; I263-D267 PolarHBondContact O-N 3.38Å
264Y97.2Very high93Very high1 Ų162.3 Ų62.30%0.00431%0.312CS..Hα-helixtrans-61.1-49.1177.1-178.5-101.1000111.4Q86 I87 F89 D261 R266 D267 W268 L269 H277Q86-Y264 HydrophobicContact CB-CE2 4.18Å; Q86-Y264 HydrophobicContact CG-CD2 4.23Å; Q86-Y264 HydrophobicContact CG-CE2 3.68Å; Q86-Y264 VanDerWaalsContact O-CE1 3.24Å; Q86-Y264 WeakPolarHBondContact O-CE1 3.16Å; I87-Y264 VanDerWaalsContact O-CB 3.27Å; I87-Y264 WeakPolarHBondContact O-CB 3.44Å; F89-Y264 HydrophobicContact CE2-CD2 4.32Å; D261-Y264 PolarHBondContact O-N 3.42Å; D261-Y264 PolarHBondContact OD1-N 3.32Å; Y264-R266 VanDerWaalsContact C-N 3.34Å; Y264-R266 PolarHBondContact O-N 3.42Å; Y264-D267 PolarHBondContact O-N 2.93Å; Y264-W268 HydrophobicContact CD2-CB 3.84Å; Y264-W268 AromaticContact CD2-CD1 3.64Å; Y264-W268 HydrophobicContact CD2-CD2 4.42Å; Y264-W268 AromaticContact CD2-CG 3.66Å; Y264-W268 HydrophobicContact CD2-CG 3.66Å; Y264-W268 HydrophobicContact CE2-CB 3.65Å; Y264-W268 HydrophobicContact CE2-CD2 4.29Å; Y264-W268 AromaticContact CE2-CG 3.73Å; Y264-W268 HydrophobicContact CE2-CG 3.73Å; Y264-W268 HydrophobicContact CG-CB 4.4Å; Y264-W268 HydrophobicContact CG-CG 4.5Å; Y264-W268 WeakPolarHBondContact O-CA 3.39Å; Y264-W268 VanDerWaalsContact O-CB 3.25Å; Y264-W268 WeakPolarHBondContact O-CB 3.26Å; Y264-W268 PolarHBondContact O-N 3.2Å; Y264-L269 HydrophobicContact CE1-CD1 4.49Å; Y264-L269 HydrophobicContact CE1-CD2 3.95Å; Y264-L269 HydrophobicContact CE1-CG 4.27Å; Y264-H277 AromaticContact CE2-NE2 3.81Å; Y264-H277 AromaticContact CZ-NE2 3.68Å; Y264-H277 PolarHBondContact OH-NE2 2.81Å
265V96.2Very high93Very high13 Ų1360.8 Ų60.88%0.07931%0.306CS..Iπ-helixtrans-57.9-47.3177.9172.10000110.9D257 R259 G260 D261 L269 V270D257-V265 HydrophobicContact CB-CG2 4.1Å; R259-V265 HydrophobicContact CB-CG2 4.33Å; G260-V265 WeakPolarHBondContact O-CG2 3.5Å; D261-V265 WeakPolarHBondContact O-CG2 3.48Å; D261-V265 PolarHBondContact O-N 2.93Å; V265-L269 HydrophobicContact CB-CD1 4.4Å; V265-L269 HydrophobicContact CG1-CD1 4.4Å; V265-L269 HydrophobicContact CG2-CD1 4.06Å; V265-L269 VanDerWaalsContact O-CB 3.3Å; V265-L269 WeakPolarHBondContact O-CB 3.31Å; V265-L269 PolarHBondContact O-N 3.01Å; V265-V270 HydrophobicContact CG1-CG2 4.45Å; V265-V270 PolarHBondContact O-N 2.9Å
266R94.6Very high93.1Very high130 Ų13058.4 Ų58.449%0.49130%0.298SS..Iπ-helixtrans-62.2-55.9179.2-174.9-167.371.5-155.5-5.2111.9Q262 I263 Y264 V270 L271Q262-R266 VanDerWaalsContact O-CB 3.25Å; Q262-R266 WeakPolarHBondContact O-CB 3.5Å; Q262-R266 PolarHBondContact O-N 2.81Å; I263-R266 PolarHBondContact O-N 2.97Å; Y264-R266 VanDerWaalsContact C-N 3.34Å; Y264-R266 PolarHBondContact O-N 3.42Å; R266-V270 WeakPolarHBondContact O-CB 3.35Å; R266-L271 HydrophobicContact CG-CD1 4.29Å; R266-L271 WeakPolarHBondContact O-CB 3.2Å; R266-L271 WeakPolarHBondContact O-CG 3.28Å; R266-L271 PolarHBondContact O-N 3Å
267D95Very high93.2Very high38 Ų3857.6 Ų57.620%0.20330%0.295CS..Iπ-helixtrans-81.4-32.1-167.1-66.7-16.8000112.8I263 Y264 H273I263-D267 WeakPolarHBondContact O-CB 3.28Å; I263-D267 PolarHBondContact O-N 3.38Å; Y264-D267 PolarHBondContact O-N 2.93Å; D267-H273 PolarHBondContact O-N 3.45Å; D267-H273 VanDerWaalsContact O-N 3.15Å
268W95Very high93.1Very high18 Ų1860.4 Ų60.47%0.06831%0.309CS..Iπ-helixtrans-107.5-25.7-169.4-58.477.4000113.3F89 S128 Y264 H273 T275 H277F89-W268 AromaticContact CE2-CE2 3.71Å; F89-W268 AromaticContact CE2-CZ2 3.93Å; F89-W268 HydrophobicContact CE2-CZ2 3.93Å; F89-W268 AromaticContact CE2-NE1 3.44Å; F89-W268 AromaticContact CZ-CE2 3.66Å; F89-W268 HydrophobicContact CZ-CH2 4.16Å; F89-W268 AromaticContact CZ-CZ2 3.46Å; F89-W268 HydrophobicContact CZ-CZ2 3.46Å; F89-W268 VanDerWaalsContact CZ-CZ2 3.46Å; F89-W268 AromaticContact CZ-NE1 3.91Å; S128-W268 VanDerWaalsContact CA-CH2 3.49Å; S128-W268 VanDerWaalsContact CB-CH2 3.45Å; S128-W268 VanDerWaalsContact CB-CZ3 3.43Å; Y264-W268 HydrophobicContact CD2-CB 3.84Å; Y264-W268 AromaticContact CD2-CD1 3.64Å; Y264-W268 HydrophobicContact CD2-CD2 4.42Å; Y264-W268 AromaticContact CD2-CG 3.66Å; Y264-W268 HydrophobicContact CD2-CG 3.66Å; Y264-W268 HydrophobicContact CE2-CB 3.65Å; Y264-W268 HydrophobicContact CE2-CD2 4.29Å; Y264-W268 AromaticContact CE2-CG 3.73Å; Y264-W268 HydrophobicContact CE2-CG 3.73Å; Y264-W268 HydrophobicContact CG-CB 4.4Å; Y264-W268 HydrophobicContact CG-CG 4.5Å; Y264-W268 WeakPolarHBondContact O-CA 3.39Å; Y264-W268 VanDerWaalsContact O-CB 3.25Å; Y264-W268 WeakPolarHBondContact O-CB 3.26Å; Y264-W268 PolarHBondContact O-N 3.2Å; W268-H273 HydrophobicContact CD2-CB 3.97Å; W268-H273 HydrophobicContact CE3-CB 3.72Å; W268-H273 HydrophobicContact CH2-CB 4.3Å; W268-H273 AromaticContact CH2-CE1 3.96Å; W268-H273 AromaticContact CH2-CG 3.8Å; W268-H273 AromaticContact CH2-ND1 3.56Å; W268-H273 HydrophobicContact CZ3-CB 3.93Å; W268-H273 AromaticContact CZ3-CG 3.89Å; W268-H273 AromaticContact CZ3-ND1 3.75Å; W268-T275 WeakPolarHBondContact CZ3-OG1 3.42Å; W268-H277 HydrophobicContact CE3-CB 3.73Å; W268-H277 AromaticContact CE3-CD2 3.61Å; W268-H277 AromaticContact CE3-CG 3.68Å; W268-H277 HydrophobicContact CZ3-CB 3.62Å; W268-H277 AromaticContact CZ3-CG 3.94Å
269L93.9Very high93.2Very high4 Ų460.3 Ų60.32%0.02131%0.308CS..Iπ-helixtrans-101.2-51.1176.4-46.1-174000111.2R259 Y264 V265 P279 I283 M287R259-L269 HydrophobicContact CB-CD1 3.67Å; R259-L269 HydrophobicContact CG-CD1 4.47Å; Y264-L269 HydrophobicContact CE1-CD1 4.49Å; Y264-L269 HydrophobicContact CE1-CD2 3.95Å; Y264-L269 HydrophobicContact CE1-CG 4.27Å; V265-L269 HydrophobicContact CB-CD1 4.4Å; V265-L269 HydrophobicContact CG1-CD1 4.4Å; V265-L269 HydrophobicContact CG2-CD1 4.06Å; V265-L269 VanDerWaalsContact O-CB 3.3Å; V265-L269 WeakPolarHBondContact O-CB 3.31Å; V265-L269 PolarHBondContact O-N 3.01Å; L269-P279 HydrophobicContact CD2-CB 3.36Å; L269-P279 HydrophobicContact CD2-CG 3.6Å; L269-I283 HydrophobicContact CD1-CG2 4.18Å; L269-I283 HydrophobicContact CD2-CG2 4.04Å; L269-M287 HydrophobicContact CB-SD 4.4Å; L269-M287 WeakPolarHBondContact O-CE 3.43Å
270V91.4Very high93.3Very high104 Ų10459.2 Ų59.263%0.6330%0.304SS*.Iπ-helixtrans-79.5-53-174.7179.30000111.9V265 R266 N272V265-V270 HydrophobicContact CG1-CG2 4.45Å; V265-V270 PolarHBondContact O-N 2.9Å; R266-V270 WeakPolarHBondContact O-CB 3.35Å; V270-N272 VanDerWaalsContact C-N 3.33Å
271L90.7Very high93.2Very high120 Ų12059.2 Ų59.263%0.62830%0.304SS*.SBendtrans-81.5-11.9-177.7-64.7178.3000113.8R266R266-L271 HydrophobicContact CG-CD1 4.29Å; R266-L271 WeakPolarHBondContact O-CB 3.2Å; R266-L271 WeakPolarHBondContact O-CG 3.28Å; R266-L271 PolarHBondContact O-N 3Å
272N84Confident93.1Very high106 Ų10659 Ų5957%0.56730%0.303SS*.  trans51.276-179-171.326.3000113.3V270V270-N272 VanDerWaalsContact C-N 3.33Å
273H86.4Confident93.2Very high68 Ų6851.7 Ų51.732%0.31527%0.269SS..  trans-49138.4-177.7-165.8-87.9000113.5D267 W268 T275D267-H273 PolarHBondContact O-N 3.45Å; D267-H273 VanDerWaalsContact O-N 3.15Å; W268-H273 HydrophobicContact CD2-CB 3.97Å; W268-H273 HydrophobicContact CE3-CB 3.72Å; W268-H273 HydrophobicContact CH2-CB 4.3Å; W268-H273 AromaticContact CH2-CE1 3.96Å; W268-H273 AromaticContact CH2-CG 3.8Å; W268-H273 AromaticContact CH2-ND1 3.56Å; W268-H273 HydrophobicContact CZ3-CB 3.93Å; W268-H273 AromaticContact CZ3-CG 3.89Å; W268-H273 AromaticContact CZ3-ND1 3.75Å; H273-T275 WeakPolarHBondContact CE1-CG2 3.46Å; H273-T275 VanDerWaalsContact ND1-CG2 3.29Å; H273-T275 WeakPolarHBondContact ND1-CG2 3.32Å; H273-T275 PolarHBondContact ND1-OG1 3.45Å; H273-T275 PolarHBondContact O-N 3.22Å
274P87.9Confident93.3Very high117 Ų11749.9 Ų49.976%0.7626%0.26SS*.THydrogen-bonded Turntrans-69.53.9-169.827.7-38.1000116.1Q276P274-Q276 VanDerWaalsContact C-N 3.25Å; P274-Q276 PolarHBondContact O-N 3.19Å
275T87.8Confident93.1Very high49 Ų4950.6 Ų50.630%0.30126%0.264SS..THydrogen-bonded Turntrans-82.44.1-176.950.30000114.2K127 W268 H273 H277K127-T275 WeakPolarHBondContact O-CB 3.45Å; K127-T275 PolarHBondContact O-OG1 2.85Å; W268-T275 WeakPolarHBondContact CZ3-OG1 3.42Å; H273-T275 WeakPolarHBondContact CE1-CG2 3.46Å; H273-T275 VanDerWaalsContact ND1-CG2 3.29Å; H273-T275 WeakPolarHBondContact ND1-CG2 3.32Å; H273-T275 PolarHBondContact ND1-OG1 3.45Å; H273-T275 PolarHBondContact O-N 3.22Å; T275-H277 PolarHBondContact O-N 3.13Å; T275-H277 VanDerWaalsContact O-N 3.15Å
276Q88.2Confident93Very high157 Ų15753.6 Ų53.673%0.73428%0.275SS*.  trans59.619.9-175.6-50.1176.4-24.500113.7K127 P274 L278K127-Q276 WeakPolarHBondContact CD-O 3.37Å; P274-Q276 VanDerWaalsContact C-N 3.25Å; P274-Q276 PolarHBondContact O-N 3.19Å; Q276-L278 PolarHBondContact O-N 3.46Å
277H95.1Very high92.8Very high4 Ų451.8 Ų51.82%0.01927%0.273CS..  trans-61.2132.4167.6167.787.2000108.9Q86 N124 K127 Y264 W268 T275Q86-H277 PolarHBondContact OE1-CE1 3.21Å; N124-H277 PolarHBondContact O-ND1 3.49Å; K127-H277 HydrophobicContact CB-CB 4.32Å; Y264-H277 AromaticContact CE2-NE2 3.81Å; Y264-H277 AromaticContact CZ-NE2 3.68Å; Y264-H277 PolarHBondContact OH-NE2 2.81Å; W268-H277 HydrophobicContact CE3-CB 3.73Å; W268-H277 AromaticContact CE3-CD2 3.61Å; W268-H277 AromaticContact CE3-CG 3.68Å; W268-H277 HydrophobicContact CZ3-CB 3.62Å; W268-H277 AromaticContact CZ3-CG 3.94Å; T275-H277 PolarHBondContact O-N 3.13Å; T275-H277 VanDerWaalsContact O-N 3.15Å
278L96.3Very high92.7Very high78 Ų7856 Ų5641%0.40830%0.295SS..  trans-109.2132.1169.5-62.8176.2000109.5Y120 N124 Q276 V284Y120-L278 VanDerWaalsContact OH-CB 3.22Å; Y120-L278 WeakPolarHBondContact OH-CB 3.28Å; N124-L278 WeakPolarHBondContact CB-O 3.31Å; N124-L278 PolarHBondContact OD1-N 3.25Å; Q276-L278 PolarHBondContact O-N 3.46Å; L278-V284 HydrophobicContact CB-CG2 4.3Å
279P97.2Very high92.4Very high10 Ų1057.9 Ų57.97%0.06532%0.32CS..  trans-69.4-171174.132.5-37.9000110.9Y120 L269 I283 V284Y120-P279 WeakPolarHBondContact CE1-O 3.29Å; Y120-P279 PolarHBondContact OH-O 3.29Å; L269-P279 HydrophobicContact CD2-CB 3.36Å; L269-P279 HydrophobicContact CD2-CG 3.6Å; P279-I283 HydrophobicContact CB-CB 4.2Å; P279-I283 HydrophobicContact CB-CD1 4.35Å; P279-I283 HydrophobicContact CB-CG2 4.03Å; P279-I283 HydrophobicContact CG-CB 4.15Å; P279-I283 HydrophobicContact CG-CG2 3.77Å; P279-V284 HydrophobicContact CG-CG2 3.75Å
280H97.9Very high92.1Very high3 Ų361.8 Ų61.81%0.01435%0.347CS..  trans-49.3140176.1-170.3-87.4000111.9H82 L84 R85 H117 F245 N282 I283 V284H82-H280 PolarHBondContact O-CE1 3.49Å; H82-H280 PolarHBondContact O-NE2 3.49Å; L84-H280 PolarHBondContact O-CD2 2.75Å; R85-H280 HydrophobicContact CB-CB 3.98Å; H117-H280 AromaticContact CE1-CD2 3.45Å; H117-H280 PolarHBondContact CE1-CD2 2.84Å; H117-H280 VanDerWaalsContact CE1-CD2 3.45Å; H117-H280 AromaticContact CE1-NE2 3.13Å; H117-H280 PolarHBondContact CE1-NE2 2.92Å; H117-H280 AromaticContact NE2-CD2 3.7Å; H117-H280 AromaticContact NE2-NE2 3.55Å; F245-H280 HydrophobicContact CE2-CB 4.33Å; F245-H280 AromaticContact CE2-CD2 3.99Å; F245-H280 AromaticContact CE2-CG 3.76Å; F245-H280 AromaticContact CE2-ND1 3.76Å; F245-H280 AromaticContact CZ-CD2 3.98Å; F245-H280 AromaticContact CZ-CE1 3.58Å; F245-H280 AromaticContact CZ-ND1 3.79Å; F245-H280 AromaticContact CZ-NE2 3.7Å; H280-N282 VanDerWaalsContact C-N 3.27Å; H280-N282 PolarHBondContact CE1-OD1 2.92Å; H280-N282 VanDerWaalsContact CE1-OD1 3.27Å; H280-N282 PolarHBondContact ND1-N 3.33Å; H280-N282 VanDerWaalsContact ND1-N 3.16Å; H280-N282 PolarHBondContact O-N 3.31Å; H280-N282 VanDerWaalsContact O-N 3.14Å; H280-I283 HydrophobicContact CB-CB 4.4Å; H280-I283 HydrophobicContact CB-CD1 3.81Å; H280-I283 HydrophobicContact CB-CG1 4.03Å; H280-I283 WeakPolarHBondContact O-CA 3.42Å; H280-I283 WeakPolarHBondContact O-CB 2.92Å; H280-I283 PolarHBondContact O-N 3.23Å; H280-V284 PolarHBondContact O-N 3.42Å
281P96.7Very high91.7Very high1 Ų157.5 Ų57.51%0.00632%0.32CS..Hα-helixtrans-52.4-41.2-177.2-28.936.5000113.6C72 C75 Y120 I283 V284 D285C72-P281 HydrophobicContact CB-CG 4.15Å; C75-P281 HydrophobicContact CB-CB 3.94Å; C75-P281 HydrophobicContact CB-CG 4.22Å; Y120-P281 HydrophobicContact CD1-CG 4.11Å; Y120-P281 HydrophobicContact CE1-CG 3.78Å; Y120-P281 HydrophobicContact CE2-CG 4.37Å; P281-I283 VanDerWaalsContact C-N 3.31Å; P281-I283 PolarHBondContact O-N 2.62Å; P281-V284 WeakPolarHBondContact O-CB 3.42Å; P281-V284 PolarHBondContact O-N 2.9Å; P281-V284 VanDerWaalsContact O-N 3.14Å; P281-D285 VanDerWaalsContact O-CG 3.24Å; P281-D285 PolarHBondContact O-N 3.34Å
282N95.7Very high90.2Very high0 Ų057.5 Ų57.50%032%0.321CS..Hα-helixtrans-67.3-26.5175.8-57.4144.3000114.8C75 P79 G80 W246 H280 Y286 L291C75-N282 PolarHBondContact O-ND2 3.21Å; P79-N282 WeakPolarHBondContact CA-ND2 3.43Å; P79-N282 WeakPolarHBondContact CA-OD1 3.48Å; G80-N282 PolarHBondContact N-OD1 2.96Å; W246-N282 HydrophobicContact CB-CB 3.78Å; W246-N282 HydrophobicContact CD2-CB 3.77Å; W246-N282 HydrophobicContact CE3-CB 4.1Å; W246-N282 HydrophobicContact CG-CB 3.63Å; H280-N282 VanDerWaalsContact C-N 3.27Å; H280-N282 PolarHBondContact CE1-OD1 2.92Å; H280-N282 VanDerWaalsContact CE1-OD1 3.27Å; H280-N282 PolarHBondContact ND1-N 3.33Å; H280-N282 VanDerWaalsContact ND1-N 3.16Å; H280-N282 PolarHBondContact O-N 3.31Å; H280-N282 VanDerWaalsContact O-N 3.14Å; N282-Y286 VanDerWaalsContact O-CB 3.27Å; N282-Y286 WeakPolarHBondContact O-CB 3.3Å; N282-Y286 PolarHBondContact O-N 2.94Å; N282-L291 HydrophobicContact CB-CD1 4.05Å; N282-L291 VanDerWaalsContact O-CD1 3.25Å; N282-L291 WeakPolarHBondContact O-CD1 3.4Å
283I96.4Very high88.9Confident0 Ų055.6 Ų55.60%032%0.316CS..Hα-helixtrans-71.1-43.8171.6-64.9170.2000108.9W246 R259 L269 P279 H280 P281 Y286 M287W246-I283 HydrophobicContact CB-CG1 3.67Å; R259-I283 HydrophobicContact CB-CD1 3.9Å; R259-I283 HydrophobicContact CG-CD1 4.06Å; R259-I283 HydrophobicContact CG-CG1 4.23Å; L269-I283 HydrophobicContact CD1-CG2 4.18Å; L269-I283 HydrophobicContact CD2-CG2 4.04Å; P279-I283 HydrophobicContact CB-CB 4.2Å; P279-I283 HydrophobicContact CB-CD1 4.35Å; P279-I283 HydrophobicContact CB-CG2 4.03Å; P279-I283 HydrophobicContact CG-CB 4.15Å; P279-I283 HydrophobicContact CG-CG2 3.77Å; H280-I283 HydrophobicContact CB-CB 4.4Å; H280-I283 HydrophobicContact CB-CD1 3.81Å; H280-I283 HydrophobicContact CB-CG1 4.03Å; H280-I283 WeakPolarHBondContact O-CA 3.42Å; H280-I283 WeakPolarHBondContact O-CB 2.92Å; H280-I283 PolarHBondContact O-N 3.23Å; P281-I283 VanDerWaalsContact C-N 3.31Å; P281-I283 PolarHBondContact O-N 2.62Å; I283-Y286 PolarHBondContact O-N 2.98Å; I283-M287 HydrophobicContact CG2-CG 4.43Å; I283-M287 HydrophobicContact CG2-SD 3.81Å; I283-M287 WeakPolarHBondContact O-CB 3.08Å; I283-M287 VanDerWaalsContact O-CG 3.25Å; I283-M287 WeakPolarHBondContact O-CG 3.4Å; I283-M287 PolarHBondContact O-N 3.25Å
284V94.8Very high87.1Confident26 Ų2659.6 Ų59.616%0.15834%0.339CS..Hα-helixtrans-58.6-52.2175.2179.10000110.5L278 P279 H280 P281 Y286 M287 L288L278-V284 HydrophobicContact CB-CG2 4.3Å; P279-V284 HydrophobicContact CG-CG2 3.75Å; H280-V284 PolarHBondContact O-N 3.42Å; P281-V284 WeakPolarHBondContact O-CB 3.42Å; P281-V284 PolarHBondContact O-N 2.9Å; P281-V284 VanDerWaalsContact O-N 3.14Å; V284-Y286 VanDerWaalsContact C-N 3.3Å; V284-Y286 PolarHBondContact O-N 3.47Å; V284-M287 PolarHBondContact O-N 3.46Å; V284-M287 VanDerWaalsContact O-N 3.13Å; V284-L288 HydrophobicContact CG1-CD1 3.8Å; V284-L288 HydrophobicContact CG1-CG 4.32Å; V284-L288 WeakPolarHBondContact O-CG 3.47Å; V284-L288 PolarHBondContact O-N 2.74Å
285D94.9Very high85.3Confident16 Ų1660.4 Ų60.49%0.08633%0.332CS..Hα-helixtrans-60.4-39.9-180-64.8-27.1000112H76 P281 L288 G289 C290 L291H76-D285 IonicContact CE1-OD1 2.86Å; H76-D285 PolarHBondContact CE1-OD1 3.1Å; H76-D285 IonicContact CE1-OD2 3.76Å; H76-D285 PolarHBondContact CE1-OD2 2.9Å; H76-D285 IonicContact CG-OD2 3.56Å; H76-D285 IonicContact ND1-OD1 2.99Å; H76-D285 PolarHBondContact ND1-OD1 3.05Å; H76-D285 IonicContact ND1-OD2 2.77Å; H76-D285 PolarHBondContact ND1-OD2 3.48Å; P281-D285 VanDerWaalsContact O-CG 3.24Å; P281-D285 PolarHBondContact O-N 3.34Å; D285-L288 PolarHBondContact O-N 3.15Å; D285-G289 PolarHBondContact O-N 2.85Å; D285-G289 VanDerWaalsContact O-N 3.16Å; D285-C290 HydrophobicContact CB-CB 3.99Å; D285-C290 WeakPolarHBondContact O-CA 3.4Å; D285-C290 WeakPolarHBondContact O-CB 3.47Å; D285-C290 PolarHBondContact O-N 2.77Å; D285-L291 HydrophobicContact CB-CD1 3.99Å; D285-L291 HydrophobicContact CB-CD2 3.78Å; D285-L291 HydrophobicContact CB-CG 3.47Å; D285-L291 VanDerWaalsContact CB-CG 3.47Å; D285-L291 PolarHBondContact O-N 2.83Å
286Y93Very high83.7Confident77 Ų7760.5 Ų60.530%0.30233%0.327SS..Hα-helixtrans-61.9-47.8174.8174.8-102.4000111.4L247 P248 N282 I283 V284 L288 G289L247-Y286 HydrophobicContact CD2-CD2 3.43Å; L247-Y286 VanDerWaalsContact CD2-CD2 3.43Å; L247-Y286 HydrophobicContact CD2-CE2 3.53Å; L247-Y286 HydrophobicContact CD2-CG 4.09Å; P248-Y286 HydrophobicContact CG-CE1 3.91Å; P248-Y286 WeakPolarHBondContact CG-OH 3.12Å; N282-Y286 VanDerWaalsContact O-CB 3.27Å; N282-Y286 WeakPolarHBondContact O-CB 3.3Å; N282-Y286 PolarHBondContact O-N 2.94Å; I283-Y286 PolarHBondContact O-N 2.98Å; V284-Y286 VanDerWaalsContact C-N 3.3Å; V284-Y286 PolarHBondContact O-N 3.47Å; Y286-L288 VanDerWaalsContact C-N 3.28Å; Y286-L288 PolarHBondContact O-N 3.08Å; Y286-G289 PolarHBondContact O-N 2.82Å
287M90.9Very high81.9Confident92 Ų9257.9 Ų57.945%0.45332%0.315SS..Hα-helixtrans-64.1-32.3179.5-71.4172.36200112.8L269 I283 V284 G289L269-M287 HydrophobicContact CB-SD 4.4Å; L269-M287 WeakPolarHBondContact O-CE 3.43Å; I283-M287 HydrophobicContact CG2-CG 4.43Å; I283-M287 HydrophobicContact CG2-SD 3.81Å; I283-M287 WeakPolarHBondContact O-CB 3.08Å; I283-M287 VanDerWaalsContact O-CG 3.25Å; I283-M287 WeakPolarHBondContact O-CG 3.4Å; I283-M287 PolarHBondContact O-N 3.25Å; V284-M287 PolarHBondContact O-N 3.46Å; V284-M287 VanDerWaalsContact O-N 3.13Å; M287-G289 VanDerWaalsContact C-N 3.28Å
288L91.4Very high79.5Confident125 Ų12564.5 Ų64.565%0.65435%0.351SS*.THydrogen-bonded Turntrans-82.3-3175.4-65.3178.6000113.5V284 D285 Y286 C290V284-L288 HydrophobicContact CG1-CD1 3.8Å; V284-L288 HydrophobicContact CG1-CG 4.32Å; V284-L288 WeakPolarHBondContact O-CG 3.47Å; V284-L288 PolarHBondContact O-N 2.74Å; D285-L288 PolarHBondContact O-N 3.15Å; Y286-L288 VanDerWaalsContact C-N 3.28Å; Y286-L288 PolarHBondContact O-N 3.08Å; L288-C290 PolarHBondContact O-N 3.21Å
289G89.3Confident76.9Confident58 Ų5865.6 Ų65.660%0.59836%0.361SS*.THydrogen-bonded Turntrans71.915.5-17600000114D285 Y286 M287D285-G289 PolarHBondContact O-N 2.85Å; D285-G289 VanDerWaalsContact O-N 3.16Å; Y286-G289 PolarHBondContact O-N 2.82Å; M287-G289 VanDerWaalsContact C-N 3.28Å
290C87.4Confident74.3Confident86 Ų8668 Ų6858%0.58137%0.373SS*.  trans-78.7-18.6177.5-64.10000112.9D285 L288D285-C290 HydrophobicContact CB-CB 3.99Å; D285-C290 WeakPolarHBondContact O-CA 3.4Å; D285-C290 WeakPolarHBondContact O-CB 3.47Å; D285-C290 PolarHBondContact O-N 2.77Å; L288-C290 PolarHBondContact O-N 3.21Å
291L83.1Confident71.5Confident15 Ų1571.2 Ų71.28%0.07940%0.395CS..SBendtrans-95.8117.2171.8-60.8-174.1000111.1P79 W246 N282 D285 S293 Y296P79-L291 HydrophobicContact CB-CD1 4.41Å; P79-L291 HydrophobicContact CB-CD2 4.38Å; P79-L291 HydrophobicContact CG-CD1 4.41Å; P79-L291 HydrophobicContact CG-CD2 3.53Å; W246-L291 HydrophobicContact CG-CD1 4.47Å; N282-L291 HydrophobicContact CB-CD1 4.05Å; N282-L291 VanDerWaalsContact O-CD1 3.25Å; N282-L291 WeakPolarHBondContact O-CD1 3.4Å; D285-L291 HydrophobicContact CB-CD1 3.99Å; D285-L291 HydrophobicContact CB-CD2 3.78Å; D285-L291 HydrophobicContact CB-CG 3.47Å; D285-L291 VanDerWaalsContact CB-CG 3.47Å; D285-L291 PolarHBondContact O-N 2.83Å; L291-S293 PolarHBondContact O-N 3.02Å; L291-Y296 HydrophobicContact CB-CE2 4.21Å
292N60.2Low68.7Low119 Ų11977.3 Ų77.364%0.63644%0.437SS*.  trans-6599.8166.4-80.1-16.9000109.5L294 H295 Y296N292-L294 PolarHBondContact O-N 2.93Å; N292-H295 PolarHBondContact O-N 3.44Å; N292-Y296 WeakPolarHBondContact O-CD2 3.44Å; N292-Y296 WeakPolarHBondContact O-CE2 3.27Å
293S55.7Low65.8Low66 Ų6681.8 Ų81.846%0.46247%0.468SS..G310 helixtrans-51.9-27.9-179.354.90000113.8L291 H295L291-S293 PolarHBondContact O-N 3.02Å; S293-H295 PolarHBondContact O-N 3.17Å
294L49.6Very low63.1Low152 Ų15286.3 Ų86.380%0.79649%0.489SS*.G310 helixtrans-75.4-15.9-174-71.6160.1000115.5N292N292-L294 PolarHBondContact O-N 2.93Å
295H50.1Low60.2Low135 Ų13592 Ų9263%0.62552%0.518SS*.G310 helixtrans-98.8-7.2-169.9-104.560.4000116.2N292 S293 T299N292-H295 PolarHBondContact O-N 3.44Å; S293-H295 PolarHBondContact O-N 3.17Å; H295-T299 PolarHBondContact O-OG1 2.89Å
296Y54Low57.2Low51 Ų5196.7 Ų96.720%0.255%0.547CS..SBendtrans-94.4-22.6-169.1-63.1-74.8000114.8P79 W246 L291 N292 N298P79-Y296 HydrophobicContact CB-CD1 4.46Å; P79-Y296 HydrophobicContact CB-CE1 3.83Å; P79-Y296 HydrophobicContact CG-CE1 3.75Å; P79-Y296 WeakPolarHBondContact CG-OH 3.5Å; W246-Y296 HydrophobicContact CZ2-CD1 4.29Å; W246-Y296 HydrophobicContact CZ2-CG 4.32Å; L291-Y296 HydrophobicContact CB-CE2 4.21Å; N292-Y296 WeakPolarHBondContact O-CD2 3.44Å; N292-Y296 WeakPolarHBondContact O-CE2 3.27Å; Y296-N298 VanDerWaalsContact C-N 3.33Å; Y296-N298 PolarHBondContact O-N 3.09Å
297E50.2Low54.1Low101 Ų10199.4 Ų99.447%0.47257%0.567SS.*SBendtrans-74-22-178.1-66.4-170.1-17600113.6K250K250-E297 WeakPolarHBondContact CE-OE1 3.37Å; K250-E297 VanDerWaalsContact NZ-CD 3.3Å; K250-E297 IonicContact NZ-OE1 2.78Å; K250-E297 PolarHBondContact NZ-OE1 3.41Å; K250-E297 IonicContact NZ-OE2 3.64Å; K250-E297 PolarHBondContact NZ-OE2 3.23Å
298N45Very low51.2Low144 Ų144101.8 Ų101.877%0.7758%0.582SS**SBendtrans-106.4-11.8-169.3-75.6-19.6000115.7Y296Y296-N298 VanDerWaalsContact C-N 3.33Å; Y296-N298 PolarHBondContact O-N 3.09Å
299T41.6Very low48Very low101 Ų101101.4 Ų101.462%0.6258%0.584SS**SBendtrans-112.6-1.7-158.7-280000115.4H295 C301H295-T299 PolarHBondContact O-OG1 2.89Å; T299-C301 PolarHBondContact O-N 3.38Å
300L42.5Very low45Very low60 Ų60107.5 Ų107.531%0.31459%0.591SS.*SBendtrans-103.853.2179.8-68.1158.1000111.4I105 Y242I105-L300 HydrophobicContact CB-CD2 4.49Å; I105-L300 HydrophobicContact CD1-CD1 3.27Å; I105-L300 HydrophobicContact CD1-CD2 3.97Å; I105-L300 HydrophobicContact CD1-CG 4.24Å; I105-L300 HydrophobicContact CG1-CD1 3.82Å; I105-L300 HydrophobicContact CG1-CD2 4.22Å; I105-L300 HydrophobicContact CG2-CD2 3.48Å; I105-L300 VanDerWaalsContact CG2-CD2 3.48Å; Y242-L300 HydrophobicContact CD1-CD1 3.73Å; Y242-L300 HydrophobicContact CD2-CD1 4.35Å; Y242-L300 HydrophobicContact CE1-CD1 4.38Å; Y242-L300 HydrophobicContact CG-CD1 3.72Å
301C38.6Very low42Very low71 Ų71112.5 Ų112.548%0.4861%0.605SS.*  trans-148.491.9177.4-148.30000109.8T299T299-C301 PolarHBondContact O-N 3.38Å
302S38.5Very low39.3Very low129 Ų129116.5 Ų116.590%0.90263%0.626SS**SBendtrans175.2-22144.644.40000114.5
303S35Very low37.6Very low93 Ų93116.8 Ų116.865%0.6563%0.633SS**SBendtrans-113.90.6-173.158.60000117.2
304H38.4Very low36.3Very low95 Ų95123.3 Ų123.344%0.4466%0.656SS.*  trans-120.71.7-169.5-68-71.8000116.3N107 V306N107-H304 PolarHBondContact ND2-ND1 2.96Å; H304-V306 PolarHBondContact O-N 2.77Å
305L34.9Very low35.2Very low145 Ų145125 Ų12576%0.75966%0.657SS**  trans-84.3103.5170.8-63174.9000108.3
306V31.8Very low34Very low115 Ų115121.6 Ų121.670%0.69766%0.658SS**  trans-72.1130.7156.7175.90000106.3H304 N308H304-V306 PolarHBondContact O-N 2.77Å; V306-N308 VanDerWaalsContact C-N 3.33Å; V306-N308 PolarHBondContact O-N 3.28Å
307D27.1Very low32.9Very low135 Ų135126.6 Ų126.672%0.72268%0.681SS**  trans-4891.2169.5-83.1-35.3000111T309D307-T309 HydrophobicContact CB-CG2 4.16Å; D307-T309 PolarHBondContact O-N 3.09Å
308N31.2Very low32Very low142 Ų142128.6 Ų128.676%0.75970%0.695SS**  trans-85.477148.3-80.7-13.6000105.6V306 Y310V306-N308 VanDerWaalsContact C-N 3.33Å; V306-N308 PolarHBondContact O-N 3.28Å; N308-Y310 PolarHBondContact O-N 3.22Å
309T24.4Very low31.4Very low116 Ų116128.5 Ų128.571%0.71269%0.694SS**  trans-65.182.4166.347.90000108D307D307-T309 HydrophobicContact CB-CG2 4.16Å; D307-T309 PolarHBondContact O-N 3.09Å
310Y25.9Very low30.9Very low187 Ų187131 Ų13173%0.73370%0.697SS**  trans-102.4107.6153.1-137.4-96.9000104.8N308 L312N308-Y310 PolarHBondContact O-N 3.22Å; Y310-L312 PolarHBondContact O-N 2.92Å
311E24.6Very low30.4Very low190 Ų190135.2 Ų135.289%0.88872%0.715SS**  trans-61.7101.2176.5-72.7-179.1157.100108.7
312L25.3Very low30.7Very low99 Ų99138.3 Ų138.352%0.51872%0.723SS.*  trans-86.7111.6176.2-72.9166.9000108.7Y310Y310-L312 PolarHBondContact O-N 2.92Å
313T26.2Very low30.8Very low125 Ų125139.4 Ų139.477%0.76771%0.713SS**  trans-77134169.753.90000109.5K315T313-K315 PolarHBondContact O-N 3.26Å
314E26.4Very low31.5Very low204 Ų204141.4 Ų141.495%0.95371%0.712SS**  trans-65.532.7-169.1-75.2-175.4146.300116.9G316E314-G316 PolarHBondContact O-N 3.2Å
315K26.6Very low32.2Very low187 Ų187141.6 Ų141.681%0.81372%0.716SS**  trans-89.8110.7179.8-77.3-171176.8-179.60112.5T313T313-K315 PolarHBondContact O-N 3.26Å
316G26.8Very low33.3Very low63 Ų63140.5 Ų140.565%0.64971%0.712SS**  trans45111136.400000118.1E314 D318E314-G316 PolarHBondContact O-N 3.2Å; G316-D318 PolarHBondContact O-N 3.42Å
317F30.6Very low34.7Very low157 Ų157138 Ų13869%0.68970%0.703SS**THydrogen-bonded Turntrans-6921.3-167-135.4-100.7000117.7
318D30Very low37.3Very low143 Ų143135.2 Ų135.277%0.76569%0.688SS**THydrogen-bonded Turntrans-123-13-173-112.3-14.9000117.4G316G316-D318 PolarHBondContact O-N 3.42Å
319D32.3Very low39.9Very low141 Ų141129.4 Ų129.475%0.75466%0.656SS**  trans-12949.5-173.8-68.1-39.5000113.5E321D319-E321 PolarHBondContact O-N 3.08Å
320F31Very low43Very low155 Ų155128.3 Ų128.368%0.6864%0.643SS**  trans-70.884.6159.7-82.5-84000108.1
321E32.8Very low46.1Very low148 Ų148126.2 Ų126.269%0.69264%0.64SS**  trans-47.6138169.1-68.7-17815700109.5D319 H323D319-E321 PolarHBondContact O-N 3.08Å; E321-H323 PolarHBondContact O-N 3.15Å; E321-H323 IonicContact OE2-CD2 3.43Å
322E44.6Very low49.4Very low135 Ų135120.9 Ų120.963%0.63162%0.617SS**SBendtrans-62.918.3178-91.8-176.9156.800113.9S206 E324S206-E322 WeakPolarHBondContact CB-OE1 3.16Å; S206-E322 PolarHBondContact OG-OE1 3.24Å; E322-E324 PolarHBondContact O-N 2.77Å; E322-E324 VanDerWaalsContact O-N 3.07Å
323H40.6Very low52.7Low152 Ų152116.3 Ų116.370%0.70459%0.593SS**  trans-84.856.4176.3-64.7-53.3000111.2E321 N325E321-H323 PolarHBondContact O-N 3.15Å; E321-H323 IonicContact OE2-CD2 3.43Å; H323-N325 VanDerWaalsContact C-N 3.26Å; H323-N325 PolarHBondContact O-N 3.47Å
324E49.8Very low55.9Low136 Ų136116.5 Ų116.564%0.63658%0.583SS**  trans-66.3101.7149.3-84.4178.8177.600105.1E322 D326E322-E324 PolarHBondContact O-N 2.77Å; E322-E324 VanDerWaalsContact O-N 3.07Å; E324-D326 VanDerWaalsContact C-N 3.35Å; E324-D326 PolarHBondContact O-N 3.45Å
325N53Low59.2Low98 Ų98112.8 Ų112.852%0.52456%0.564SS.*  trans-62.597.6-179.3-161.618.6000107H323 A327 D328 E329H323-N325 VanDerWaalsContact C-N 3.26Å; H323-N325 PolarHBondContact O-N 3.47Å; N325-A327 PolarHBondContact O-N 3.46Å; N325-D328 HydrophobicContact CB-CB 4.4Å; N325-D328 VanDerWaalsContact CB-OD2 3.31Å; N325-D328 WeakPolarHBondContact CB-OD2 3.45Å; N325-D328 PolarHBondContact ND2-OD2 2.91Å; N325-D328 WeakPolarHBondContact O-CB 3.44Å; N325-D328 PolarHBondContact O-N 3.34Å; N325-E329 PolarHBondContact O-N 3.34Å
326D59.2Low62.5Low123 Ų123106 Ų10666%0.65854%0.537SS*.Hα-helixtrans-49.5-30-172.7-79-38.5000112.8E324 E329 E330E324-D326 VanDerWaalsContact C-N 3.35Å; E324-D326 PolarHBondContact O-N 3.45Å; D326-E329 PolarHBondContact O-N 3.33Å; D326-E330 PolarHBondContact O-N 3.46Å
327A61.1Low65.7Low63 Ų63105.3 Ų105.352%0.52152%0.524SS..Hα-helixtrans-61.2-43.9174.900000112.8N325 E330 E331N325-A327 PolarHBondContact O-N 3.46Å; A327-E330 PolarHBondContact O-N 2.63Å; A327-E331 PolarHBondContact O-N 3.43Å; A327-E331 VanDerWaalsContact O-N 3.12Å
328D81.4Confident68.8Low75 Ų75102 Ų10240%0.40153%0.526SS..Hα-helixtrans-68-38.6178.5-61.9-26.5000110N325 E330 E331 I332N325-D328 HydrophobicContact CB-CB 4.4Å; N325-D328 VanDerWaalsContact CB-OD2 3.31Å; N325-D328 WeakPolarHBondContact CB-OD2 3.45Å; N325-D328 PolarHBondContact ND2-OD2 2.91Å; N325-D328 WeakPolarHBondContact O-CB 3.44Å; N325-D328 PolarHBondContact O-N 3.34Å; D328-E330 PolarHBondContact O-N 3.11Å; D328-E331 PolarHBondContact O-N 3.03Å; D328-I332 WeakPolarHBondContact O-CB 3.17Å; D328-I332 WeakPolarHBondContact O-CD1 3.3Å; D328-I332 WeakPolarHBondContact O-CG1 3.37Å; D328-I332 PolarHBondContact O-N 2.95Å
329E84.7Confident71.9Confident20 Ų20101.1 Ų101.19%0.09352%0.517CS..Hα-helixtrans-62.9-42.2175.8-165-157.6101.700111.7P180 K183 N325 D326 I332 T333P180-E329 HydrophobicContact CG-CG 3.69Å; K183-E329 WeakPolarHBondContact CD-OE1 3.31Å; K183-E329 IonicContact NZ-OE1 3.89Å; K183-E329 PolarHBondContact NZ-OE1 3.28Å; N325-E329 PolarHBondContact O-N 3.34Å; D326-E329 PolarHBondContact O-N 3.33Å; E329-I332 PolarHBondContact O-N 3.16Å; E329-T333 WeakPolarHBondContact O-CB 3.39Å; E329-T333 PolarHBondContact O-N 3.05Å; E329-T333 PolarHBondContact O-OG1 3.3Å
330E89.4Confident74.8Confident94 Ų9495.4 Ų95.444%0.43949%0.487SS..Hα-helixtrans-66.3-41179.1-169.4176.5156.500112.3D326 A327 D328 T333 K334D326-E330 PolarHBondContact O-N 3.46Å; A327-E330 PolarHBondContact O-N 2.63Å; D328-E330 PolarHBondContact O-N 3.11Å; E330-T333 PolarHBondContact O-N 3.33Å; E330-K334 HydrophobicContact CG-CD 4.49Å; E330-K334 WeakPolarHBondContact O-CG 3.49Å; E330-K334 PolarHBondContact O-N 2.93Å; E330-K334 WeakPolarHBondContact OE1-CE 3.06Å; E330-K334 IonicContact OE1-NZ 3.13Å; E330-K334 PolarHBondContact OE1-NZ 2.92Å
331E92.6Very high77.8Confident142 Ų14290.1 Ų90.166%0.66447%0.468SS*.Hα-helixtrans-62.8-47.3175-172.2176.2162.600111.5A327 D328 T333 K334 K335A327-E331 PolarHBondContact O-N 3.43Å; A327-E331 VanDerWaalsContact O-N 3.12Å; D328-E331 PolarHBondContact O-N 3.03Å; E331-T333 VanDerWaalsContact C-N 3.3Å; E331-T333 PolarHBondContact O-N 3.36Å; E331-K334 PolarHBondContact O-N 3.16Å; E331-K335 PolarHBondContact O-N 3.41Å
332I92.8Very high80.7Confident78 Ų7891.9 Ų91.940%0.447%0.473SS..Hα-helixtrans-60.3-42.2176.7-65.8163.9000110.6P180 D328 E329 K334 K335 L336P180-I332 HydrophobicContact CB-CB 4.4Å; P180-I332 HydrophobicContact CB-CG2 3.75Å; P180-I332 HydrophobicContact CG-CB 4.25Å; P180-I332 HydrophobicContact CG-CG2 3.81Å; D328-I332 WeakPolarHBondContact O-CB 3.17Å; D328-I332 WeakPolarHBondContact O-CD1 3.3Å; D328-I332 WeakPolarHBondContact O-CG1 3.37Å; D328-I332 PolarHBondContact O-N 2.95Å; E329-I332 PolarHBondContact O-N 3.16Å; I332-K334 PolarHBondContact O-N 3.35Å; I332-K335 PolarHBondContact O-N 3.31Å; I332-L336 HydrophobicContact CG2-CD1 3.94Å; I332-L336 HydrophobicContact CG2-CG 4.26Å; I332-L336 WeakPolarHBondContact O-CB 3.24Å; I332-L336 WeakPolarHBondContact O-CG 3.37Å; I332-L336 PolarHBondContact O-N 2.97Å
333T94.4Very high82.9Confident4 Ų490.4 Ų90.43%0.02547%0.466CS..Hα-helixtrans-60.4-45.4177.5-58.60000111.2K183 V184 E329 E330 E331 L336 A337K183-T333 HydrophobicContact CB-CG2 3.96Å; K183-T333 HydrophobicContact CD-CG2 3.87Å; K183-T333 HydrophobicContact CG-CG2 3.82Å; V184-T333 HydrophobicContact CG2-CG2 3.87Å; V184-T333 WeakPolarHBondContact CG2-O 3.36Å; E329-T333 WeakPolarHBondContact O-CB 3.39Å; E329-T333 PolarHBondContact O-N 3.05Å; E329-T333 PolarHBondContact O-OG1 3.3Å; E330-T333 PolarHBondContact O-N 3.33Å; E331-T333 VanDerWaalsContact C-N 3.3Å; E331-T333 PolarHBondContact O-N 3.36Å; T333-L336 PolarHBondContact O-N 2.98Å; T333-A337 WeakPolarHBondContact O-CB 3.43Å; T333-A337 PolarHBondContact O-N 3.08Å
334K94.4Very high85.4Confident128 Ų12884 Ų8456%0.55744%0.436SS*.Hα-helixtrans-63-43177.7-75.1171.3-176.1162.20111.5E330 E331 I332 A337 A338E330-K334 HydrophobicContact CG-CD 4.49Å; E330-K334 WeakPolarHBondContact O-CG 3.49Å; E330-K334 PolarHBondContact O-N 2.93Å; E330-K334 WeakPolarHBondContact OE1-CE 3.06Å; E330-K334 IonicContact OE1-NZ 3.13Å; E330-K334 PolarHBondContact OE1-NZ 2.92Å; E331-K334 PolarHBondContact O-N 3.16Å; I332-K334 PolarHBondContact O-N 3.35Å; K334-A337 PolarHBondContact O-N 3.48Å; K334-A338 WeakPolarHBondContact O-CB 3.39Å; K334-A338 PolarHBondContact O-N 2.73Å
335K95.5Very high87.6Confident126 Ų12682.2 Ų82.255%0.54843%0.429SS..Hα-helixtrans-61.5-49.8176.8-174.7178.5176.8-177.20111.6E331 I332 A337 A338 E339E331-K335 PolarHBondContact O-N 3.41Å; I332-K335 PolarHBondContact O-N 3.31Å; K335-A337 VanDerWaalsContact C-N 3.29Å; K335-A337 PolarHBondContact O-N 3.47Å; K335-A338 PolarHBondContact O-N 3.45Å; K335-A338 VanDerWaalsContact O-N 3.14Å; K335-E339 WeakPolarHBondContact CE-OE1 3.39Å; K335-E339 HydrophobicContact CG-CG 4.49Å; K335-E339 WeakPolarHBondContact CG-OE1 3.27Å; K335-E339 WeakPolarHBondContact O-CG 3.41Å; K335-E339 PolarHBondContact O-N 3.09Å
336L95.2Very high89.6Confident46 Ų4678.9 Ų78.924%0.24141%0.411CS..Hα-helixtrans-60.1-37.4177.4-73.1174.9000112.7T147 P180 A181 V184 I332 T333 L340T147-L336 HydrophobicContact CG2-CB 4.22Å; T147-L336 HydrophobicContact CG2-CD2 4.29Å; P180-L336 HydrophobicContact CB-CD1 3.67Å; A181-L336 HydrophobicContact CB-CD1 4.48Å; V184-L336 HydrophobicContact CG2-CB 3.86Å; I332-L336 HydrophobicContact CG2-CD1 3.94Å; I332-L336 HydrophobicContact CG2-CG 4.26Å; I332-L336 WeakPolarHBondContact O-CB 3.24Å; I332-L336 WeakPolarHBondContact O-CG 3.37Å; I332-L336 PolarHBondContact O-N 2.97Å; T333-L336 PolarHBondContact O-N 2.98Å; L336-L340 PolarHBondContact O-N 3.25Å
337A94.6Very high91.3Very high47 Ų4775.1 Ų75.139%0.38839%0.393SS..Hα-helixtrans-68-39.9175.600000112.2V184 T333 K334 K335 L340V184-A337 HydrophobicContact CG1-CB 4.17Å; V184-A337 HydrophobicContact CG2-CB 4.07Å; T333-A337 WeakPolarHBondContact O-CB 3.43Å; T333-A337 PolarHBondContact O-N 3.08Å; K334-A337 PolarHBondContact O-N 3.48Å; K335-A337 VanDerWaalsContact C-N 3.29Å; K335-A337 PolarHBondContact O-N 3.47Å; A337-L340 WeakPolarHBondContact O-CB 3.35Å; A337-L340 PolarHBondContact O-N 2.87Å
338A95.5Very high92.9Very high88 Ų8882 Ų8273%0.72742%0.415SS*.Hα-helixtrans-70.7-32.9179.200000113.1K334 K335 L340K334-A338 WeakPolarHBondContact O-CB 3.39Å; K334-A338 PolarHBondContact O-N 2.73Å; K335-A338 PolarHBondContact O-N 3.45Å; K335-A338 VanDerWaalsContact O-N 3.14Å; A338-L340 VanDerWaalsContact C-N 3.32Å
339E94.7Very high93.5Very high124 Ų12485 Ų8558%0.57943%0.431SS*.THydrogen-bonded Turntrans-881.3179.3-67.4174.8179.100113.2K335 P341K335-E339 WeakPolarHBondContact CE-OE1 3.39Å; K335-E339 HydrophobicContact CG-CG 4.49Å; K335-E339 WeakPolarHBondContact CG-OE1 3.27Å; K335-E339 WeakPolarHBondContact O-CG 3.41Å; K335-E339 PolarHBondContact O-N 3.09Å; E339-P341 WeakPolarHBondContact O-CD 3.34Å
340L93.9Very high94.1Very high22 Ų2285.1 Ų85.112%0.11544%0.435CS..  trans-66.4122.8-175.8-167.871.8000111T147 P152 V184 L336 A337 A338 F344 M345T147-L340 HydrophobicContact CG2-CD1 4.22Å; P152-L340 HydrophobicContact CG-CD2 3.56Å; V184-L340 HydrophobicContact CG1-CD2 4.41Å; L336-L340 PolarHBondContact O-N 3.25Å; A337-L340 WeakPolarHBondContact O-CB 3.35Å; A337-L340 PolarHBondContact O-N 2.87Å; A338-L340 VanDerWaalsContact C-N 3.32Å; L340-F344 HydrophobicContact CD1-CB 3.85Å; L340-F344 HydrophobicContact CD1-CD2 4.07Å; L340-F344 HydrophobicContact CD2-CB 4.39Å; L340-F344 HydrophobicContact CG-CB 3.92Å; L340-M345 HydrophobicContact CD2-CG 3.99Å; L340-M345 HydrophobicContact CG-CG 4.43Å
341P93.6Very high94.4Very high44 Ų4487 Ų8729%0.28644%0.444SS..  trans-58.7147.4177.3-24.534000112.5E339 E343 F344 M345E339-P341 WeakPolarHBondContact O-CD 3.34Å; P341-E343 HydrophobicContact CB-CG 4.16Å; P341-E343 WeakPolarHBondContact CB-OE1 3.23Å; P341-E343 VanDerWaalsContact CB-OE2 3.27Å; P341-E343 WeakPolarHBondContact CB-OE2 3.39Å; P341-E343 PolarHBondContact O-N 3.25Å; P341-F344 HydrophobicContact CB-CD2 4.38Å; P341-F344 HydrophobicContact CB-CG 4.4Å; P341-F344 HydrophobicContact CG-CD2 3.97Å; P341-F344 HydrophobicContact CG-CE2 4.23Å; P341-F344 HydrophobicContact CG-CG 4.47Å; P341-F344 WeakPolarHBondContact O-CA 3.34Å; P341-F344 WeakPolarHBondContact O-CB 3.28Å; P341-F344 PolarHBondContact O-N 3.36Å; P341-M345 PolarHBondContact O-N 3.24Å
342K93.2Very high94.5Very high184 Ų18487.9 Ų87.980%0.845%0.446SS*.G310 helixtrans-58.6-36.5-178.1-72.3-170.6177.4-173.20112.5F344 M345K342-F344 PolarHBondContact O-N 3.06Å; K342-M345 WeakPolarHBondContact O-CB 3.36Å; K342-M345 PolarHBondContact O-N 3.19Å
343E91.6Very high94.6Very high105 Ų10584.7 Ų84.749%0.49143%0.429SS..G310 helixtrans-64.3-20.6177.363.8-90.3-150.200113.5R153 P341R153-E343 WeakPolarHBondContact CD-O 3.31Å; P341-E343 HydrophobicContact CB-CG 4.16Å; P341-E343 WeakPolarHBondContact CB-OE1 3.23Å; P341-E343 VanDerWaalsContact CB-OE2 3.27Å; P341-E343 WeakPolarHBondContact CB-OE2 3.39Å; P341-E343 PolarHBondContact O-N 3.25Å
344F93.4Very high94.2Very high16 Ų1689.6 Ų89.67%0.0746%0.459CS..G310 helixtrans-93-13.1178.5-74.32.7000113.1T148 H151 R153 L340 P341 K342T148-F344 HydrophobicContact CG2-CE2 3.78Å; T148-F344 HydrophobicContact CG2-CZ 4.27Å; H151-F344 HydrophobicContact CB-CB 3.54Å; H151-F344 HydrophobicContact CB-CD1 4.3Å; H151-F344 HydrophobicContact CB-CD2 3.93Å; H151-F344 HydrophobicContact CB-CG 3.67Å; H151-F344 AromaticContact CD2-CD1 3.47Å; H151-F344 VanDerWaalsContact CD2-CD1 3.47Å; H151-F344 WeakPolarHBondContact CD2-CD1 3.16Å; H151-F344 AromaticContact CD2-CE1 3.65Å; H151-F344 AromaticContact CD2-CG 3.71Å; H151-F344 AromaticContact CE1-CD1 3.91Å; H151-F344 AromaticContact CG-CD1 3.68Å; H151-F344 AromaticContact CG-CG 3.57Å; H151-F344 AromaticContact ND1-CD1 3.93Å; H151-F344 AromaticContact NE2-CD1 3.65Å; H151-F344 AromaticContact NE2-CE1 3.75Å; R153-F344 WeakPolarHBondContact CB-O 3.41Å; R153-F344 PolarHBondContact N-O 3.33Å; L340-F344 HydrophobicContact CD1-CB 3.85Å; L340-F344 HydrophobicContact CD1-CD2 4.07Å; L340-F344 HydrophobicContact CD2-CB 4.39Å; L340-F344 HydrophobicContact CG-CB 3.92Å; P341-F344 HydrophobicContact CB-CD2 4.38Å; P341-F344 HydrophobicContact CB-CG 4.4Å; P341-F344 HydrophobicContact CG-CD2 3.97Å; P341-F344 HydrophobicContact CG-CE2 4.23Å; P341-F344 HydrophobicContact CG-CG 4.47Å; P341-F344 WeakPolarHBondContact O-CA 3.34Å; P341-F344 WeakPolarHBondContact O-CB 3.28Å; P341-F344 PolarHBondContact O-N 3.36Å; K342-F344 PolarHBondContact O-N 3.06Å
345M95.5Very high94.1Very high100 Ų10087.7 Ų87.749%0.49346%0.455SS..SBendtrans-76.8149.4175.9-59.5-17679.500111.2R153 L340 P341 K342R153-M345 WeakPolarHBondContact CB-O 2.99Å; L340-M345 HydrophobicContact CD2-CG 3.99Å; L340-M345 HydrophobicContact CG-CG 4.43Å; P341-M345 PolarHBondContact O-N 3.24Å; K342-M345 WeakPolarHBondContact O-CB 3.36Å; K342-M345 PolarHBondContact O-N 3.19Å
346I95.6Very high94.1Very high27 Ų2785.7 Ų85.714%0.13845%0.45CS..PPolyproline II helixtrans-64.6131.7171.8-61.5173.4000108.1P152 Y156 A188 I189 F192 A350P152-I346 HydrophobicContact CB-CD1 4.2Å; P152-I346 HydrophobicContact CB-CG1 3.81Å; Y156-I346 HydrophobicContact CD1-CG2 4.18Å; Y156-I346 HydrophobicContact CD2-CD1 4.3Å; Y156-I346 HydrophobicContact CD2-CG2 4.04Å; Y156-I346 HydrophobicContact CE2-CG2 4.46Å; Y156-I346 HydrophobicContact CG-CD1 4.32Å; Y156-I346 HydrophobicContact CG-CG1 4.3Å; Y156-I346 HydrophobicContact CG-CG2 3.9Å; A188-I346 HydrophobicContact CB-CD1 4.11Å; A188-I346 WeakPolarHBondContact O-CD1 3.39Å; I189-I346 HydrophobicContact CG1-CD1 3.9Å; F192-I346 HydrophobicContact CD2-CD1 3.96Å; F192-I346 HydrophobicContact CE1-CG2 4.42Å; F192-I346 HydrophobicContact CE2-CB 4.48Å; F192-I346 HydrophobicContact CE2-CD1 3.74Å; F192-I346 HydrophobicContact CE2-CG2 3.98Å; F192-I346 HydrophobicContact CZ-CG2 3.84Å; I346-A350 HydrophobicContact CG2-CB 3.34Å
347P94.6Very high94Very high44 Ų4487.9 Ų87.929%0.28646%0.461SS..PPolyproline II helixtrans-55.8144.8179.2-26.435.1000112.9N349 A350P347-N349 VanDerWaalsContact CB-OD1 3.23Å; P347-N349 WeakPolarHBondContact CB-OD1 3.3Å; P347-N349 PolarHBondContact O-N 3.08Å; P347-A350 WeakPolarHBondContact O-CB 3.32Å; P347-A350 PolarHBondContact O-N 3.36Å
348E94.1Very high94Very high209 Ų20990.3 Ų90.398%0.97747%0.465SS*.THydrogen-bonded Turntrans-62.7-25.9-179.3-66.2-179.7177.100113.2A350E348-A350 VanDerWaalsContact C-N 3.3Å
349N95Very high93.9Very high138 Ų13890.4 Ų90.474%0.73845%0.449SS*.THydrogen-bonded Turntrans-88.910.9175.270.5-32.9000113.5P347P347-N349 VanDerWaalsContact CB-OD1 3.23Å; P347-N349 WeakPolarHBondContact CB-OD1 3.3Å; P347-N349 PolarHBondContact O-N 3.08Å
350A96.1Very high93.8Very high21 Ų2188.2 Ų88.217%0.17444%0.44CS..PPolyproline II helixtrans-62.1136175.900000111.3Y156 F192 I346 P347 E348Y156-A350 HydrophobicContact CE1-CB 3.91Å; Y156-A350 HydrophobicContact CE2-CB 3.99Å; F192-A350 HydrophobicContact CD1-CB 4.3Å; F192-A350 HydrophobicContact CE1-CB 3.64Å; F192-A350 HydrophobicContact CZ-CB 4.09Å; I346-A350 HydrophobicContact CG2-CB 3.34Å; P347-A350 WeakPolarHBondContact O-CB 3.32Å; P347-A350 PolarHBondContact O-N 3.36Å; E348-A350 VanDerWaalsContact C-N 3.3Å
351E95.7Very high93.8Very high133 Ų13392.9 Ų92.962%0.62146%0.464SS*.PPolyproline II helixtrans-94.6151.2-178.7-62.8174.3170.100111Y156 F192 L353Y156-E351 WeakPolarHBondContact CE2-O 3.25Å; Y156-E351 PolarHBondContact OH-N 2.91Å; Y156-E351 PolarHBondContact OH-O 3.29Å; F192-E351 WeakPolarHBondContact CD1-O 3.49Å; E351-L353 PolarHBondContact O-N 3.13Å
352K95.8Very high93.8Very high162 Ų16296.7 Ų96.770%0.70448%0.477SS*.PPolyproline II helixtrans-61.5132.1166.3-74.2-169.2174.6-176.80109.5
353L94.3Very high93.9Very high11 Ų1189.4 Ų89.46%0.05845%0.45CS..PPolyproline II helixtrans-78.9136.5176.8-52-175.5000108.7Y156 A159 K160 A163 F192 L193 P194 E351Y156-L353 HydrophobicContact CE2-CD1 4.43Å; Y156-L353 HydrophobicContact CE2-CD2 4.02Å; Y156-L353 HydrophobicContact CE2-CG 4.21Å; A159-L353 HydrophobicContact CB-CD1 3.59Å; K160-L353 HydrophobicContact CB-CD1 4.47Å; K160-L353 HydrophobicContact CB-CD2 3.93Å; K160-L353 HydrophobicContact CG-CD2 4.08Å; A163-L353 HydrophobicContact CB-CB 4Å; A163-L353 HydrophobicContact CB-CD1 4.37Å; F192-L353 WeakPolarHBondContact O-CB 3.32Å; F192-L353 PolarHBondContact O-N 3.08Å; L193-L353 HydrophobicContact CD2-CD1 4.01Å; P194-L353 WeakPolarHBondContact CD-O 3.31Å; E351-L353 PolarHBondContact O-N 3.13Å
354T84.9Confident94.1Very high107 Ų10788 Ų8866%0.65645%0.447SS*.  trans-124.30-178.352.80000111.7R44R44-T354 PolarHBondContact NH1-O 3.27Å; R44-T354 PolarHBondContact NH1-OXT 3.29Å; R44-T354 PolarHBondContact NH2-O 3.2Å; R44-T354 PolarHBondContact NH2-OG1 2.84Å

Retrieved 354 of 354 residues in 249.6 ms (Link to these results)

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