A0A3Q0KHP9_SCHMA Loading...

Putative platelet-activating factor acetylhydrolase ib

AlphaFold DB , UniProt , Accession A0A3Q0KHP9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 228 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
1M60.8Low86.7Confident87 Ų8761.2 Ų61.243%0.42936%0.359SS..  0141.50-54.7-153.1-54.100106.7S3 T4 E107 K110M1-S3 PolarHBondContact O-N 2.96Å; M1-S3 VanDerWaalsContact O-N 3.15Å; M1-T4 PolarHBondContact O-N 3.28Å; M1-T4 VanDerWaalsContact O-N 3.11Å; M1-T4 PolarHBondContact O-OG1 3.44Å; M1-T4 VanDerWaalsContact O-OG1 3.12Å; M1-E107 WeakPolarHBondContact CB-OE1 3.39Å; M1-E107 HydrophobicContact CE-CB 3.62Å; M1-E107 HydrophobicContact CE-CG 3.31Å; M1-E107 HydrophobicContact SD-CG 3.8Å; M1-K110 HydrophobicContact CE-CD 3.66Å
2P72.1Confident87.4Confident71 Ų7166.4 Ų66.446%0.46139%0.392SS..G310 helixtrans-53.2-39.4-170.4-25.133.6000112.6T4 I5 Q73P2-T4 PolarHBondContact O-N 2.99Å; P2-T4 VanDerWaalsContact O-N 3.16Å; P2-I5 PolarHBondContact O-N 3.23Å; P2-Q73 WeakPolarHBondContact O-CB 3.39Å
3S75.9Confident87.9Confident0 Ų071.2 Ų71.20%041%0.409CS..G310 helixtrans-60.9-21.2-17964.70000116.1M1 T72 D103 E107 G111M1-S3 PolarHBondContact O-N 2.96Å; M1-S3 VanDerWaalsContact O-N 3.15Å; S3-T72 WeakPolarHBondContact CA-OG1 3.29Å; S3-T72 WeakPolarHBondContact CB-OG1 3.39Å; S3-T72 PolarHBondContact O-OG1 3.36Å; S3-D103 WeakPolarHBondContact CB-OD2 3.32Å; S3-E107 WeakPolarHBondContact CB-O 3.46Å; S3-E107 PolarHBondContact OG-O 3.45Å; S3-G111 VanDerWaalsContact O-CA 3.3Å; S3-G111 WeakPolarHBondContact O-CA 3.37Å
4T84.2Confident88.5Confident45 Ų4570.6 Ų70.628%0.27643%0.425SS..G310 helixtrans-108.4-3.9-175.167.10000113.6M1 P2 L76 K110M1-T4 PolarHBondContact O-N 3.28Å; M1-T4 VanDerWaalsContact O-N 3.11Å; M1-T4 PolarHBondContact O-OG1 3.44Å; M1-T4 VanDerWaalsContact O-OG1 3.12Å; P2-T4 PolarHBondContact O-N 2.99Å; P2-T4 VanDerWaalsContact O-N 3.16Å; T4-L76 WeakPolarHBondContact O-CD2 3.42Å; T4-K110 HydrophobicContact CG2-CB 3.84Å
5I91Very high89.1Confident92 Ų9271.6 Ų71.647%0.47243%0.427SS..SBendtrans-105.3114.7-176-59.9172.4000107.9P2 I7 Q73P2-I5 PolarHBondContact O-N 3.23Å; I5-I7 HydrophobicContact CB-CD1 4.28Å; I5-I7 HydrophobicContact CG2-CD1 3.98Å; I5-I7 HydrophobicContact CG2-CG1 4.05Å; I5-I7 WeakPolarHBondContact O-CG1 3.46Å; I5-I7 PolarHBondContact O-N 2.98Å; I5-I7 VanDerWaalsContact O-N 3.09Å; I5-Q73 WeakPolarHBondContact O-CB 3.48Å
6A95.3Very high89.6Confident25 Ų2568.6 Ų68.621%0.20742%0.416CS..  trans-56.2112-179.600000111.9L76 W77 E80A6-L76 HydrophobicContact CB-CB 4.35Å; A6-L76 HydrophobicContact CB-CD2 4.04Å; A6-L76 HydrophobicContact CB-CG 3.91Å; A6-W77 HydrophobicContact CB-CB 4.12Å; A6-E80 WeakPolarHBondContact CB-OE2 3.2Å
7I95.3Very high90.1Very high82 Ų8270.7 Ų70.742%0.42141%0.414SS..  trans-140.8133-177.8-66166.9000109.9I5 Q73 N74I5-I7 HydrophobicContact CB-CD1 4.28Å; I5-I7 HydrophobicContact CG2-CD1 3.98Å; I5-I7 HydrophobicContact CG2-CG1 4.05Å; I5-I7 WeakPolarHBondContact O-CG1 3.46Å; I5-I7 PolarHBondContact O-N 2.98Å; I5-I7 VanDerWaalsContact O-N 3.09Å; I7-Q73 PolarHBondContact N-O 3.45Å; I7-Q73 VanDerWaalsContact N-O 3.16Å; I7-N74 WeakPolarHBondContact O-CA 3.31Å; I7-N74 PolarHBondContact O-ND2 2.85Å
8S95Very high90.5Very high42 Ų4268.6 Ų68.629%0.29440%0.398SS..PPolyproline II helixtrans-73.5139.1165.953.30000110.4
9P94.6Very high90.9Very high38 Ų3869.2 Ų69.225%0.24740%0.398CS..PPolyproline II helixtrans-66.5147.8178.828.6-32.7000110.7W18P9-W18 VanDerWaalsContact CD-CZ2 3.42Å; P9-W18 HydrophobicContact CG-CB 4.46Å; P9-W18 HydrophobicContact CG-CD2 3.56Å; P9-W18 VanDerWaalsContact CG-CE2 3.49Å; P9-W18 HydrophobicContact CG-CE3 4.23Å; P9-W18 HydrophobicContact CG-CG 3.62Å; P9-W18 HydrophobicContact CG-CZ2 4.11Å
10P94.3Very high91.3Very high107 Ų10769.5 Ų69.570%0.69540%0.404SS*.PPolyproline II helixtrans-63.613817328.1-33.9000110.2T12P10-T12 HydrophobicContact CB-CG2 4.4Å; P10-T12 HydrophobicContact CG-CG2 4.35Å; P10-T12 PolarHBondContact O-N 2.91Å; P10-T12 VanDerWaalsContact O-N 3.14Å
11D95.7Very high91.6Very high84 Ų8468.5 Ų68.545%0.44940%0.396SS..  trans-83.884.2172.6-177.611.6000110E13 G14 D15 G16D11-E13 VanDerWaalsContact C-N 3.28Å; D11-E13 PolarHBondContact O-N 3.22Å; D11-E13 PolarHBondContact OD1-N 3.36Å; D11-G14 PolarHBondContact OD1-N 2.95Å; D11-G14 WeakPolarHBondContact OD2-CA 3.48Å; D11-D15 PolarHBondContact OD2-N 3.28Å; D11-G16 VanDerWaalsContact OD2-CA 3.31Å; D11-G16 WeakPolarHBondContact OD2-CA 3.44Å; D11-G16 PolarHBondContact OD2-N 3.4Å
12T94.5Very high93.4Very high124 Ų12464.9 Ų64.976%0.76138%0.378SS*.SBendtrans-74.2-19.4-178.354.10000113.5P10P10-T12 HydrophobicContact CB-CG2 4.4Å; P10-T12 HydrophobicContact CG-CG2 4.35Å; P10-T12 PolarHBondContact O-N 2.91Å; P10-T12 VanDerWaalsContact O-N 3.14Å
13E94.3Very high94.6Very high129 Ų12965 Ų6560%0.60338%0.378SS*.SBendtrans-95.6-20.3-179.2-68.8-179.2-13800112.4D11 D15 R17D11-E13 VanDerWaalsContact C-N 3.28Å; D11-E13 PolarHBondContact O-N 3.22Å; D11-E13 PolarHBondContact OD1-N 3.36Å; E13-D15 VanDerWaalsContact C-N 3.34Å; E13-R17 IonicContact OE1-CZ 2.63Å; E13-R17 IonicContact OE1-NH1 3.17Å; E13-R17 PolarHBondContact OE1-NH1 3.4Å; E13-R17 IonicContact OE1-NH2 2.74Å; E13-R17 PolarHBondContact OE1-NH2 3.12Å; E13-R17 IonicContact OE2-CZ 3.77Å; E13-R17 IonicContact OE2-NH1 3.64Å; E13-R17 PolarHBondContact OE2-NH1 3.02Å; E13-R17 IonicContact OE2-NH2 3.75Å; E13-R17 PolarHBondContact OE2-NH2 3.06Å
14G96.3Very high95.6Very high62 Ų6271 Ų7164%0.63940%0.4SS*.SBendtrans80.212.1174.100000114.4D11D11-G14 PolarHBondContact OD1-N 2.95Å; D11-G14 WeakPolarHBondContact OD2-CA 3.48Å
15D97.5Very high96.2Very high86 Ų8669.3 Ų69.346%0.4639%0.389SS..SBendtrans-93.8-5.2-177.771.17.1000113.5D11 E13 R17D11-D15 PolarHBondContact OD2-N 3.28Å; E13-D15 VanDerWaalsContact C-N 3.34Å; D15-R17 PolarHBondContact O-N 3.03Å; D15-R17 VanDerWaalsContact O-N 3.11Å; D15-R17 VanDerWaalsContact OD1-CB 3.29Å; D15-R17 WeakPolarHBondContact OD1-CB 3.36Å; D15-R17 WeakPolarHBondContact OD1-CG 3.35Å; D15-R17 PolarHBondContact OD1-N 3.15Å; D15-R17 IonicContact OD1-NH1 3.46Å; D15-R17 PolarHBondContact OD1-NH1 2.89Å; D15-R17 IonicContact OD2-CZ 3.75Å; D15-R17 IonicContact OD2-NH1 2.73Å; D15-R17 PolarHBondContact OD2-NH1 2.89Å
16G97.1Very high96.4Very high23 Ų2366 Ų6624%0.23737%0.373CS..  trans61.716.1179.500000114.5D11 W18 M19 S20D11-G16 VanDerWaalsContact OD2-CA 3.31Å; D11-G16 WeakPolarHBondContact OD2-CA 3.44Å; D11-G16 PolarHBondContact OD2-N 3.4Å; G16-W18 VanDerWaalsContact C-N 3.3Å; G16-W18 PolarHBondContact O-N 3.16Å; G16-M19 PolarHBondContact O-N 2.89Å; G16-S20 WeakPolarHBondContact O-CB 3.43Å; G16-S20 PolarHBondContact O-N 3.34Å; G16-S20 PolarHBondContact O-OG 3.25Å
17R97.7Very high96.3Very high105 Ų10568 Ų6840%0.39639%0.385SS..Hα-helixtrans-62.4-36.4-170.471179.2172.5-103.15.7113.1E13 D15 S20 Q21E13-R17 IonicContact OE1-CZ 2.63Å; E13-R17 IonicContact OE1-NH1 3.17Å; E13-R17 PolarHBondContact OE1-NH1 3.4Å; E13-R17 IonicContact OE1-NH2 2.74Å; E13-R17 PolarHBondContact OE1-NH2 3.12Å; E13-R17 IonicContact OE2-CZ 3.77Å; E13-R17 IonicContact OE2-NH1 3.64Å; E13-R17 PolarHBondContact OE2-NH1 3.02Å; E13-R17 IonicContact OE2-NH2 3.75Å; E13-R17 PolarHBondContact OE2-NH2 3.06Å; D15-R17 PolarHBondContact O-N 3.03Å; D15-R17 VanDerWaalsContact O-N 3.11Å; D15-R17 VanDerWaalsContact OD1-CB 3.29Å; D15-R17 WeakPolarHBondContact OD1-CB 3.36Å; D15-R17 WeakPolarHBondContact OD1-CG 3.35Å; D15-R17 PolarHBondContact OD1-N 3.15Å; D15-R17 IonicContact OD1-NH1 3.46Å; D15-R17 PolarHBondContact OD1-NH1 2.89Å; D15-R17 IonicContact OD2-CZ 3.75Å; D15-R17 IonicContact OD2-NH1 2.73Å; D15-R17 PolarHBondContact OD2-NH1 2.89Å; R17-S20 PolarHBondContact O-N 2.87Å; R17-Q21 VanDerWaalsContact O-CG 3.31Å; R17-Q21 WeakPolarHBondContact O-CG 3.06Å; R17-Q21 PolarHBondContact O-N 3.29Å; R17-Q21 PolarHBondContact O-NE2 3.09Å
18W98.1Very high96.1Very high32 Ų3266.9 Ų66.912%0.12138%0.378CS..Hα-helixtrans-65.9-49-178.3-173.296.3000110.2P9 G16 S20 Q21 H22 I67 D70 N74 W77 R78P9-W18 VanDerWaalsContact CD-CZ2 3.42Å; P9-W18 HydrophobicContact CG-CB 4.46Å; P9-W18 HydrophobicContact CG-CD2 3.56Å; P9-W18 VanDerWaalsContact CG-CE2 3.49Å; P9-W18 HydrophobicContact CG-CE3 4.23Å; P9-W18 HydrophobicContact CG-CG 3.62Å; P9-W18 HydrophobicContact CG-CZ2 4.11Å; G16-W18 VanDerWaalsContact C-N 3.3Å; G16-W18 PolarHBondContact O-N 3.16Å; W18-S20 VanDerWaalsContact C-N 3.33Å; W18-S20 PolarHBondContact O-N 3.15Å; W18-Q21 PolarHBondContact O-N 2.89Å; W18-H22 HydrophobicContact CZ3-CB 4.47Å; W18-H22 PolarHBondContact O-N 2.87Å; W18-I67 HydrophobicContact CD2-CD1 4.49Å; W18-I67 HydrophobicContact CG-CG2 4.47Å; W18-D70 PolarHBondContact NE1-OD1 2.89Å; W18-N74 HydrophobicContact CZ2-CB 4.21Å; W18-W77 HydrophobicContact CH2-CD2 4.27Å; W18-W77 AromaticContact CH2-CE3 3.44Å; W18-W77 HydrophobicContact CH2-CE3 3.44Å; W18-W77 VanDerWaalsContact CH2-CE3 3.44Å; W18-W77 AromaticContact CH2-CZ3 3.68Å; W18-W77 HydrophobicContact CH2-CZ3 3.68Å; W18-W77 AromaticContact CZ3-CE3 3.88Å; W18-W77 HydrophobicContact CZ3-CE3 3.88Å; W18-W77 HydrophobicContact CZ3-CH2 4.32Å; W18-W77 AromaticContact CZ3-CZ3 3.64Å; W18-W77 HydrophobicContact CZ3-CZ3 3.64Å; W18-R78 HydrophobicContact CH2-CG 3.64Å; W18-R78 HydrophobicContact CZ2-CG 3.59Å
19M98Very high95.4Very high80 Ų8064.9 Ų64.939%0.39436%0.364SS..Hα-helixtrans-66.2-35.7178-169.358.265.900112.4G16 H22 T23 W77G16-M19 PolarHBondContact O-N 2.89Å; M19-H22 PolarHBondContact O-N 3.3Å; M19-T23 WeakPolarHBondContact O-CB 3.3Å; M19-T23 PolarHBondContact O-N 2.89Å; M19-T23 PolarHBondContact O-OG1 3.41Å; M19-W77 HydrophobicContact CE-CH2 3.71Å; M19-W77 HydrophobicContact CE-CZ2 4.35Å; M19-W77 HydrophobicContact CE-CZ3 4.33Å; M19-W77 HydrophobicContact SD-CH2 4.07Å
20S98.1Very high94.7Very high75 Ų7571 Ų7152%0.52438%0.382SS..Hα-helixtrans-63.8-41.7175.6-62.30000111.9G16 R17 W18 R24G16-S20 WeakPolarHBondContact O-CB 3.43Å; G16-S20 PolarHBondContact O-N 3.34Å; G16-S20 PolarHBondContact O-OG 3.25Å; R17-S20 PolarHBondContact O-N 2.87Å; W18-S20 VanDerWaalsContact C-N 3.33Å; W18-S20 PolarHBondContact O-N 3.15Å; S20-R24 WeakPolarHBondContact O-CB 3.43Å; S20-R24 PolarHBondContact O-N 3.02Å
21Q98.2Very high94.3Very high49 Ų4974.5 Ų74.523%0.22939%0.386CS..Hα-helixtrans-64.5-48.1174.5-73.7179.495.800111.8R17 W18 T23 R24 F25 I67R17-Q21 VanDerWaalsContact O-CG 3.31Å; R17-Q21 WeakPolarHBondContact O-CG 3.06Å; R17-Q21 PolarHBondContact O-N 3.29Å; R17-Q21 PolarHBondContact O-NE2 3.09Å; W18-Q21 PolarHBondContact O-N 2.89Å; Q21-T23 PolarHBondContact O-N 2.87Å; Q21-R24 WeakPolarHBondContact O-CB 3.26Å; Q21-R24 PolarHBondContact O-N 3.32Å; Q21-F25 HydrophobicContact CB-CE2 4.38Å; Q21-F25 WeakPolarHBondContact O-CD2 3.3Å; Q21-F25 VanDerWaalsContact O-CG 3.27Å; Q21-F25 WeakPolarHBondContact O-CG 3.41Å; Q21-F25 PolarHBondContact O-N 3.49Å; Q21-I67 HydrophobicContact CB-CD1 3.96Å; Q21-I67 HydrophobicContact CB-CG1 4.4Å
22H98Very high93.9Very high11 Ų1176.7 Ų76.75%0.05139%0.392CS..Hα-helixtrans-54.9-51.1175.6169.962.2000111.7W18 M19 R24 F25 V26 W77 N81 E83W18-H22 HydrophobicContact CZ3-CB 4.47Å; W18-H22 PolarHBondContact O-N 2.87Å; M19-H22 PolarHBondContact O-N 3.3Å; H22-R24 VanDerWaalsContact C-N 3.29Å; H22-R24 PolarHBondContact O-N 3.3Å; H22-F25 WeakPolarHBondContact O-CB 3.31Å; H22-F25 PolarHBondContact O-N 2.95Å; H22-V26 VanDerWaalsContact CE1-CG2 3.48Å; H22-V26 WeakPolarHBondContact CE1-CG2 3.45Å; H22-V26 WeakPolarHBondContact O-CG2 3.31Å; H22-V26 PolarHBondContact O-N 3.03Å; H22-W77 AromaticContact CD2-CZ3 3.6Å; H22-W77 AromaticContact CE1-CZ3 3.95Å; H22-W77 AromaticContact NE2-CZ3 3.56Å; H22-N81 PolarHBondContact NE2-O 3.05Å; H22-E83 IonicContact CE1-OE1 3.8Å; H22-E83 IonicContact CG-OE1 2.74Å; H22-E83 IonicContact ND1-OE1 2.68Å; H22-E83 PolarHBondContact ND1-OE1 2.83Å
23T97.5Very high93.6Very high74 Ų7477.9 Ų77.945%0.45439%0.389SS..Hα-helixtrans-59.7-41.3179.8-60.40000111.4M19 Q21 F25 V26 C27M19-T23 WeakPolarHBondContact O-CB 3.3Å; M19-T23 PolarHBondContact O-N 2.89Å; M19-T23 PolarHBondContact O-OG1 3.41Å; Q21-T23 PolarHBondContact O-N 2.87Å; T23-F25 PolarHBondContact O-N 3.39Å; T23-V26 PolarHBondContact O-N 3.01Å; T23-C27 PolarHBondContact O-N 3.01Å; T23-C27 PolarHBondContact O-SG 3.25Å; T23-C27 VanDerWaalsContact O-SG 3.39Å
24R97.4Very high93.7Very high126 Ų12671.9 Ų71.948%0.47536%0.361SS..Hα-helixtrans-60.2-43.8173.8178.8-179.765.1-178-0.5111.6S20 Q21 H22 C27 Q28S20-R24 WeakPolarHBondContact O-CB 3.43Å; S20-R24 PolarHBondContact O-N 3.02Å; Q21-R24 WeakPolarHBondContact O-CB 3.26Å; Q21-R24 PolarHBondContact O-N 3.32Å; H22-R24 VanDerWaalsContact C-N 3.29Å; H22-R24 PolarHBondContact O-N 3.3Å; R24-C27 PolarHBondContact O-N 3.23Å; R24-Q28 HydrophobicContact CG-CG 4.33Å; R24-Q28 WeakPolarHBondContact O-CB 3.33Å; R24-Q28 VanDerWaalsContact O-CG 3.31Å; R24-Q28 WeakPolarHBondContact O-CG 3.45Å; R24-Q28 PolarHBondContact O-N 3.23Å
25F97.2Very high93.6Very high9 Ų970.9 Ų70.94%0.03934%0.341CS..Hα-helixtrans-64.4-45178.9-63.1-25.2000112.1Q21 H22 T23 C27 Q28 A29 F65 I67 E83Q21-F25 HydrophobicContact CB-CE2 4.38Å; Q21-F25 WeakPolarHBondContact O-CD2 3.3Å; Q21-F25 VanDerWaalsContact O-CG 3.27Å; Q21-F25 WeakPolarHBondContact O-CG 3.41Å; Q21-F25 PolarHBondContact O-N 3.49Å; H22-F25 WeakPolarHBondContact O-CB 3.31Å; H22-F25 PolarHBondContact O-N 2.95Å; T23-F25 PolarHBondContact O-N 3.39Å; F25-C27 VanDerWaalsContact C-N 3.27Å; F25-C27 PolarHBondContact O-N 3.03Å; F25-Q28 PolarHBondContact O-N 3.44Å; F25-Q28 VanDerWaalsContact O-N 3.09Å; F25-A29 WeakPolarHBondContact O-CB 3.41Å; F25-A29 PolarHBondContact O-N 3.03Å; F25-F65 HydrophobicContact CB-CB 4.49Å; F25-F65 HydrophobicContact CB-CD1 3.57Å; F25-F65 HydrophobicContact CB-CE1 3.81Å; F25-F65 HydrophobicContact CB-CG 3.97Å; F25-F65 HydrophobicContact CB-CZ 4.4Å; F25-F65 AromaticContact CD1-CD1 3.53Å; F25-F65 HydrophobicContact CD1-CD1 3.53Å; F25-F65 AromaticContact CD1-CE1 4Å; F25-F65 HydrophobicContact CD1-CE1 4Å; F25-F65 HydrophobicContact CD1-CG 4.46Å; F25-F65 HydrophobicContact CD2-CB 3.9Å; F25-F65 HydrophobicContact CD2-CD1 4.07Å; F25-F65 HydrophobicContact CD2-CG 4.23Å; F25-F65 HydrophobicContact CE1-CD1 4.19Å; F25-F65 HydrophobicContact CE2-CB 4.27Å; F25-F65 HydrophobicContact CG-CB 4.18Å; F25-F65 AromaticContact CG-CD1 3.46Å; F25-F65 HydrophobicContact CG-CD1 3.46Å; F25-F65 VanDerWaalsContact CG-CD1 3.46Å; F25-F65 HydrophobicContact CG-CE1 4.08Å; F25-F65 AromaticContact CG-CG 4Å; F25-F65 HydrophobicContact CG-CG 4Å; F25-I67 HydrophobicContact CE2-CD1 4.13Å; F25-I67 HydrophobicContact CE2-CG1 3.73Å; F25-E83 HydrophobicContact CB-CG 4.11Å
26V95.2Very high93.6Very high22 Ų2266.8 Ų66.813%0.13332%0.319CS..Hα-helixtrans-56.9-41.1173.6176.30000111.4H22 T23 E83H22-V26 VanDerWaalsContact CE1-CG2 3.48Å; H22-V26 WeakPolarHBondContact CE1-CG2 3.45Å; H22-V26 WeakPolarHBondContact O-CG2 3.31Å; H22-V26 PolarHBondContact O-N 3.03Å; T23-V26 PolarHBondContact O-N 3.01Å; V26-E83 HydrophobicContact CG2-CG 3.9Å
27C93.3Very high93.7Very high68 Ų6865.7 Ų65.746%0.45931%0.308SS..Hα-helixtrans-70.2-37.3175.3-70.30000113.6T23 R24 F25 K31T23-C27 PolarHBondContact O-N 3.01Å; T23-C27 PolarHBondContact O-SG 3.25Å; T23-C27 VanDerWaalsContact O-SG 3.39Å; R24-C27 PolarHBondContact O-N 3.23Å; F25-C27 VanDerWaalsContact C-N 3.27Å; F25-C27 PolarHBondContact O-N 3.03Å; C27-K31 WeakPolarHBondContact O-CG 3.4Å
28Q89.9Confident93.7Very high59 Ų5960.7 Ų60.728%0.27629%0.289SS..Hα-helixtrans-69-43.9179.5-79.3178.7-1300111.9R24 F25 R30 K31 K32 F65R24-Q28 HydrophobicContact CG-CG 4.33Å; R24-Q28 WeakPolarHBondContact O-CB 3.33Å; R24-Q28 VanDerWaalsContact O-CG 3.31Å; R24-Q28 WeakPolarHBondContact O-CG 3.45Å; R24-Q28 PolarHBondContact O-N 3.23Å; F25-Q28 PolarHBondContact O-N 3.44Å; F25-Q28 VanDerWaalsContact O-N 3.09Å; Q28-R30 VanDerWaalsContact C-N 3.29Å; Q28-R30 PolarHBondContact O-N 2.88Å; Q28-K31 PolarHBondContact O-N 2.87Å; Q28-K32 PolarHBondContact O-N 3.39Å; Q28-F65 HydrophobicContact CB-CE1 4.4Å
29A81.8Confident93.7Very high0 Ų059.2 Ų59.20%028%0.283CS..Hα-helixtrans-51.5-48.6179.400000111.9F25 K31 F65 F87F25-A29 WeakPolarHBondContact O-CB 3.41Å; F25-A29 PolarHBondContact O-N 3.03Å; A29-K31 VanDerWaalsContact C-N 3.26Å; A29-K31 PolarHBondContact O-N 2.81Å; A29-F65 HydrophobicContact CB-CE2 3.98Å; A29-F65 HydrophobicContact CB-CZ 3.76Å; A29-F87 HydrophobicContact CB-CD1 3.84Å; A29-F87 HydrophobicContact CB-CE1 3.5Å; A29-F87 VanDerWaalsContact CB-CE1 3.5Å; A29-F87 HydrophobicContact CB-CZ 4.14Å
30R77.9Confident93.8Very high167 Ų16755.4 Ų55.463%0.6327%0.265SS*.Hα-helixtrans-66.5-21.9178.9-65.8-179.8-178-1661.4114.5Q28Q28-R30 VanDerWaalsContact C-N 3.29Å; Q28-R30 PolarHBondContact O-N 2.88Å
31K87Confident93.8Very high180 Ų18051.9 Ų51.978%0.78324%0.24SC*.Hα-helixtrans-100-31.4-174.8-71.4-177.8-179.1-177.30113.6C27 Q28 A29C27-K31 WeakPolarHBondContact O-CG 3.4Å; Q28-K31 PolarHBondContact O-N 2.87Å; A29-K31 VanDerWaalsContact C-N 3.26Å; A29-K31 PolarHBondContact O-N 2.81Å
32K87.4Confident93.8Very high130 Ų13049.6 Ų49.657%0.56523%0.229SC*.Hα-helixtrans-93.4-23.7-169.4-76.5-168.5169.5-167.20114.7Q28 V63Q28-K32 PolarHBondContact O-N 3.39Å; K32-V63 HydrophobicContact CB-CG1 4.41Å; K32-V63 HydrophobicContact CD-CG1 3.67Å
33E89Confident93.8Very high149 Ų14949.3 Ų49.370%0.69623%0.228SC*.  trans45.860.6-172.3-62.1-171.7148.900112.6
34P94.8Very high93.8Very high3 Ų345.8 Ų45.82%0.01921%0.207CC..  trans-67.8145.7-172.530.4-37.8000112.6V37 H61 V63 F87 P89P34-V37 HydrophobicContact CB-CG2 4.49Å; P34-V37 HydrophobicContact CG-CG2 3.93Å; P34-H61 WeakPolarHBondContact CA-O 3.39Å; P34-H61 WeakPolarHBondContact CB-O 3.38Å; P34-V63 HydrophobicContact CB-CB 4.29Å; P34-V63 HydrophobicContact CB-CG1 3.87Å; P34-V63 HydrophobicContact CB-CG2 3.63Å; P34-V63 HydrophobicContact CG-CG1 4.3Å; P34-V63 HydrophobicContact CG-CG2 3.61Å; P34-F87 HydrophobicContact CG-CD2 3.66Å; P34-F87 HydrophobicContact CG-CE2 3.58Å; P34-F87 HydrophobicContact CG-CZ 4.49Å; P34-P89 VanDerWaalsContact O-CA 3.26Å; P34-P89 WeakPolarHBondContact O-CA 3.22Å; P34-P89 WeakPolarHBondContact O-CB 3.36Å
35D95.8Very high93.8Very high41 Ų4140.4 Ų40.422%0.21919%0.188CC..SBendtrans-81.1-30.8170.3-85-31.8000111.7H61 K90 V91 L212D35-H61 HydrophobicContact CB-CB 4.24Å; D35-H61 PolarHBondContact N-O 2.9Å; D35-H61 VanDerWaalsContact N-O 3.15Å; D35-K90 HydrophobicContact CB-CD 4.28Å; D35-K90 PolarHBondContact O-N 3.02Å; D35-K90 VanDerWaalsContact OD1-CD 3.31Å; D35-K90 WeakPolarHBondContact OD1-CD 3.47Å; D35-K90 WeakPolarHBondContact OD1-CE 3.39Å; D35-K90 IonicContact OD1-NZ 2.89Å; D35-K90 PolarHBondContact OD1-NZ 3.17Å; D35-K90 IonicContact OD2-NZ 2.89Å; D35-K90 PolarHBondContact OD2-NZ 3.33Å; D35-V91 PolarHBondContact O-N 3.26Å; D35-L212 HydrophobicContact CB-CD2 4.33Å
36V97.6Very high93.9Very high0 Ų044.3 Ų44.30%020%0.203CC..EExtended strand (participates in β ladder)trans-127.3131.1-179.4-176.30000110.6L38 L60 C62 V63 V91 V93 L208 L212V36-L38 HydrophobicContact CG1-CD2 4.2Å; V36-L60 HydrophobicContact CG2-CB 4.19Å; V36-C62 HydrophobicContact CB-CB 4.12Å; V36-C62 CarbonylContact O-C 3.54Å; V36-C62 VanDerWaalsContact O-CA 3.3Å; V36-C62 WeakPolarHBondContact O-CA 3.39Å; V36-V63 PolarHBondContact O-N 3.48Å; V36-V91 WeakPolarHBondContact CA-O 3.42Å; V36-V91 HydrophobicContact CG2-CB 4.4Å; V36-V93 HydrophobicContact CG1-CG2 4.3Å; V36-L208 HydrophobicContact CG1-CD2 3.83Å; V36-L208 HydrophobicContact CG2-CD2 4.1Å; V36-L212 HydrophobicContact CG2-CD1 3.8Å; V36-L212 HydrophobicContact CG2-CD2 4.27Å; V36-L212 HydrophobicContact CG2-CG 4.48Å
37V98Very high94Very high0 Ų043.2 Ų43.20%020%0.196CC..EExtended strand (participates in β ladder)trans-117.4128.1172.7-178.60000110.1P34 L39 V63 F65 L84 F87 P89 V91 V92 V93P34-V37 HydrophobicContact CB-CG2 4.49Å; P34-V37 HydrophobicContact CG-CG2 3.93Å; V37-L39 HydrophobicContact CG1-CD2 4.38Å; V37-L39 HydrophobicContact CG1-CG 4.21Å; V37-V63 WeakPolarHBondContact CA-O 3.32Å; V37-V63 HydrophobicContact CB-CG2 4.3Å; V37-V63 HydrophobicContact CG1-CG2 4.27Å; V37-V63 HydrophobicContact CG2-CG2 3.81Å; V37-F65 HydrophobicContact CG1-CD2 3.64Å; V37-F65 HydrophobicContact CG1-CE2 4.07Å; V37-F65 HydrophobicContact CG1-CG 4.36Å; V37-L84 HydrophobicContact CG1-CD2 4.05Å; V37-F87 HydrophobicContact CG2-CE2 3.64Å; V37-F87 HydrophobicContact CG2-CZ 4.08Å; V37-P89 HydrophobicContact CG2-CB 3.83Å; V37-P89 HydrophobicContact CG2-CG 3.93Å; V37-V91 PolarHBondContact N-O 2.77Å; V37-V92 HydrophobicContact CB-CG2 4.39Å; V37-V92 CarbonylContact O-C 3.59Å; V37-V92 WeakPolarHBondContact O-CA 3.31Å; V37-V93 PolarHBondContact O-N 2.91Å
38L98.5Very high94.2Very high0 Ų043.1 Ų43.10%019%0.189CC..EExtended strand (participates in β ladder)trans-99.6130.3170-49.3178.6000110.3V36 F44 M47 Y53 I57 V63 N64 F65 V93V36-L38 HydrophobicContact CG1-CD2 4.2Å; L38-F44 HydrophobicContact CB-CD2 3.94Å; L38-F44 HydrophobicContact CB-CE2 4.25Å; L38-M47 HydrophobicContact CD1-CE 3.36Å; L38-Y53 HydrophobicContact CD1-CE2 3.91Å; L38-I57 HydrophobicContact CD1-CG2 4.5Å; L38-V63 PolarHBondContact N-O 3.11Å; L38-N64 HydrophobicContact CB-CB 4.46Å; L38-N64 HydrophobicContact CD1-CB 4.28Å; L38-F65 WeakPolarHBondContact O-CA 3.48Å; L38-F65 PolarHBondContact O-N 3.04Å; L38-V93 HydrophobicContact CD2-CB 3.58Å; L38-V93 HydrophobicContact CD2-CG1 4.29Å; L38-V93 HydrophobicContact CD2-CG2 3.66Å
39L98.5Very high94.5Very high0 Ų046.7 Ų46.70%020%0.204CC..EExtended strand (participates in β ladder)trans-123.2120.2173.9-66.3171.4000109.3V37 F65 V75 I79 L84 V92 V93 I94 M95V37-L39 HydrophobicContact CG1-CD2 4.38Å; V37-L39 HydrophobicContact CG1-CG 4.21Å; L39-F65 HydrophobicContact CD2-CB 3.85Å; L39-V75 HydrophobicContact CB-CG1 4.23Å; L39-I79 HydrophobicContact CD1-CD1 4.03Å; L39-I79 HydrophobicContact CD1-CG1 4.09Å; L39-L84 HydrophobicContact CD1-CD1 4.19Å; L39-L84 HydrophobicContact CD1-CD2 4.4Å; L39-V92 HydrophobicContact CD1-CG1 3.85Å; L39-V92 HydrophobicContact CG-CG1 4.4Å; L39-V93 PolarHBondContact N-O 2.8Å; L39-I94 HydrophobicContact CB-CG1 4.37Å; L39-I94 VanDerWaalsContact O-CA 3.31Å; L39-I94 WeakPolarHBondContact O-CA 3.31Å; L39-M95 PolarHBondContact O-N 3.14Å
40G98.3Very high95.2Very high0 Ų047 Ų470%021%0.206CC..EExtended strand (participates in β ladder)trans-175.8-159.317900000114.4S66 I67 M95G40-S66 PolarHBondContact N-OG 3.11Å; G40-S66 VanDerWaalsContact N-OG 3.08Å; G40-S66 VanDerWaalsContact O-CA 3.24Å; G40-S66 WeakPolarHBondContact O-CA 3.27Å; G40-S66 VanDerWaalsContact O-CB 3.31Å; G40-S66 WeakPolarHBondContact O-CB 3.47Å; G40-I67 PolarHBondContact O-N 3.28Å; G40-I67 VanDerWaalsContact O-N 3.17Å; G40-M95 WeakPolarHBondContact CA-O 3.24Å
41D98.3Very high96.2Very high2 Ų244.9 Ų44.91%0.01120%0.203CC..SBendtrans-104.5-154.3-179.265.329000112.7I43 F44 V45 S66 I67 M95 I96 S98 H99D41-I43 PolarHBondContact O-N 3.01Å; D41-I43 VanDerWaalsContact O-N 3.17Å; D41-I43 WeakPolarHBondContact OD1-CG1 3.49Å; D41-I43 PolarHBondContact OD1-N 2.96Å; D41-F44 PolarHBondContact O-N 2.99Å; D41-V45 WeakPolarHBondContact O-CG2 3.22Å; D41-V45 PolarHBondContact O-N 2.84Å; D41-S66 WeakPolarHBondContact O-CB 3.46Å; D41-I67 WeakPolarHBondContact CA-O 3.42Å; D41-M95 PolarHBondContact N-O 3.03Å; D41-I96 HydrophobicContact CB-CD1 3.81Å; D41-S98 PolarHBondContact OD2-OG 3.4Å; D41-H99 IonicContact OD2-CD2 2.79Å; D41-H99 PolarHBondContact OD2-CD2 2.73Å; D41-H99 IonicContact OD2-NE2 3.45Å
42S98Very high96.5Very high1 Ų136.8 Ų36.81%0.00717%0.169CC..Hα-helixtrans-56.8-27179.951.20000114V45 Y46 H99 H191S42-V45 PolarHBondContact O-N 2.84Å; S42-Y46 WeakPolarHBondContact O-CD2 3.49Å; S42-Y46 PolarHBondContact O-N 3.14Å; S42-H99 PolarHBondContact OG-NE2 2.65Å; S42-H191 WeakPolarHBondContact CB-NE2 3.49Å; S42-H191 PolarHBondContact OG-CD2 2.73Å; S42-H191 PolarHBondContact OG-NE2 3.38Å
43I98.4Very high97Very high4 Ų431.3 Ų31.32%0.02115%0.145CC..Hα-helixtrans-62.8-48.3177.7-58.8-62.8000110.4D41 M47 M95 L134 M190 P192 Y197 L200D41-I43 PolarHBondContact O-N 3.01Å; D41-I43 VanDerWaalsContact O-N 3.17Å; D41-I43 WeakPolarHBondContact OD1-CG1 3.49Å; D41-I43 PolarHBondContact OD1-N 2.96Å; I43-M47 PolarHBondContact O-N 2.9Å; I43-M47 VanDerWaalsContact O-N 3.16Å; I43-M95 HydrophobicContact CB-CE 4.43Å; I43-M95 HydrophobicContact CB-SD 4.32Å; I43-M95 HydrophobicContact CG1-CE 4.46Å; I43-M95 HydrophobicContact CG2-CE 3.9Å; I43-M95 HydrophobicContact CG2-SD 3.79Å; I43-L134 HydrophobicContact CD1-CD1 4.43Å; I43-L134 HydrophobicContact CG2-CD1 4.32Å; I43-M190 HydrophobicContact CD1-CE 4.41Å; I43-P192 HydrophobicContact CD1-CG 4.47Å; I43-Y197 HydrophobicContact CG2-CE1 4.15Å; I43-Y197 WeakPolarHBondContact O-CE1 3.42Å; I43-Y197 PolarHBondContact O-OH 3.16Å; I43-L200 HydrophobicContact CG2-CD2 3.8Å
44F98.3Very high97.4Very high1 Ų128.8 Ų28.80%0.00413%0.131CC..Hα-helixtrans-74.4-31.4175.8-78.6-7.6000112.3L38 D41 Y46 M47 N64 S66 V93 M95 M131L38-F44 HydrophobicContact CB-CD2 3.94Å; L38-F44 HydrophobicContact CB-CE2 4.25Å; D41-F44 PolarHBondContact O-N 2.99Å; F44-Y46 VanDerWaalsContact C-N 3.34Å; F44-Y46 PolarHBondContact O-N 2.76Å; F44-M47 HydrophobicContact CD1-CE 3.71Å; F44-M47 HydrophobicContact CD1-SD 4.27Å; F44-M47 HydrophobicContact CE1-CE 4.07Å; F44-M47 HydrophobicContact CE1-SD 4.5Å; F44-M47 HydrophobicContact CG-CE 4.28Å; F44-M47 PolarHBondContact O-N 3.46Å; F44-N64 PolarHBondContact O-ND2 2.93Å; F44-S66 WeakPolarHBondContact CB-OG 3.42Å; F44-V93 HydrophobicContact CE2-CB 4.49Å; F44-V93 HydrophobicContact CE2-CG1 4.07Å; F44-V93 HydrophobicContact CZ-CG1 3.77Å; F44-M95 HydrophobicContact CD1-CB 4.39Å; F44-M95 HydrophobicContact CD1-SD 4.23Å; F44-M95 HydrophobicContact CD2-CB 4.11Å; F44-M95 HydrophobicContact CE1-CB 3.83Å; F44-M95 HydrophobicContact CE1-CG 4.45Å; F44-M95 HydrophobicContact CE1-SD 3.75Å; F44-M95 HydrophobicContact CE2-CB 3.51Å; F44-M95 HydrophobicContact CZ-CB 3.36Å; F44-M95 HydrophobicContact CZ-CG 4.38Å; F44-M95 HydrophobicContact CZ-SD 4.22Å; F44-M131 HydrophobicContact CE1-SD 3.92Å; F44-M131 HydrophobicContact CZ-SD 3.75Å
45V97.9Very high97.5Very high13 Ų1335.8 Ų35.88%0.07916%0.161CC..Hα-helixtrans-58.3-46.6173.3173.80000111.1D41 S42 Q48 F49 S66D41-V45 WeakPolarHBondContact O-CG2 3.22Å; D41-V45 PolarHBondContact O-N 2.84Å; S42-V45 PolarHBondContact O-N 2.84Å; V45-Q48 WeakPolarHBondContact O-CG 3.36Å; V45-Q48 PolarHBondContact O-NE2 3.04Å; V45-F49 HydrophobicContact CG1-CE2 4.45Å; V45-F49 WeakPolarHBondContact O-CE2 3.22Å; V45-S66 VanDerWaalsContact CG2-C 3.48Å; V45-S66 VanDerWaalsContact CG2-O 3.28Å; V45-S66 WeakPolarHBondContact CG2-O 3.23Å
46Y97.8Very high97.5Very high90 Ų9036.2 Ų36.235%0.35316%0.162SC..Hα-helixtrans-76.2-29.3-178.1-66.6-37.7000113.3S42 F44 Q48 F49 F187 H191 Y197S42-Y46 WeakPolarHBondContact O-CD2 3.49Å; S42-Y46 PolarHBondContact O-N 3.14Å; F44-Y46 VanDerWaalsContact C-N 3.34Å; F44-Y46 PolarHBondContact O-N 2.76Å; Y46-Q48 PolarHBondContact O-N 2.76Å; Y46-Q48 VanDerWaalsContact O-N 3.14Å; Y46-F49 HydrophobicContact CD1-CD2 4.45Å; Y46-F49 PolarHBondContact O-N 3.44Å; Y46-F187 HydrophobicContact CE2-CZ 4.45Å; Y46-H191 HydrophobicContact CD2-CB 3.86Å; Y46-H191 AromaticContact CD2-CD2 3.44Å; Y46-H191 VanDerWaalsContact CD2-CD2 3.44Å; Y46-H191 WeakPolarHBondContact CD2-CD2 3.4Å; Y46-H191 AromaticContact CD2-CG 3.66Å; Y46-H191 HydrophobicContact CE2-CB 4.09Å; Y46-H191 AromaticContact CE2-CD2 3.35Å; Y46-H191 WeakPolarHBondContact CE2-CD2 3.15Å; Y46-H191 AromaticContact CE2-CE1 3.95Å; Y46-H191 AromaticContact CE2-CG 3.5Å; Y46-H191 AromaticContact CE2-ND1 3.87Å; Y46-H191 AromaticContact CE2-NE2 3.66Å; Y46-Y197 VanDerWaalsContact CB-OH 3.27Å; Y46-Y197 WeakPolarHBondContact CB-OH 3.45Å
47M98Very high97.4Very high0 Ų036.2 Ų36.20%016%0.162CC..Hα-helixtrans-52.1-38.8174.5-170.71736500111.7L38 I43 F44 F49 T50 Y53 I57 Y197 C201L38-M47 HydrophobicContact CD1-CE 3.36Å; I43-M47 PolarHBondContact O-N 2.9Å; I43-M47 VanDerWaalsContact O-N 3.16Å; F44-M47 HydrophobicContact CD1-CE 3.71Å; F44-M47 HydrophobicContact CD1-SD 4.27Å; F44-M47 HydrophobicContact CE1-CE 4.07Å; F44-M47 HydrophobicContact CE1-SD 4.5Å; F44-M47 HydrophobicContact CG-CE 4.28Å; F44-M47 PolarHBondContact O-N 3.46Å; M47-F49 PolarHBondContact O-N 2.85Å; M47-T50 WeakPolarHBondContact O-CB 3.23Å; M47-T50 WeakPolarHBondContact O-CG2 3.49Å; M47-T50 PolarHBondContact O-N 3.21Å; M47-T50 PolarHBondContact O-OG1 2.95Å; M47-Y53 HydrophobicContact CE-CD2 4.09Å; M47-Y53 HydrophobicContact CE-CE2 4.44Å; M47-Y53 HydrophobicContact CG-CD2 4.24Å; M47-Y53 WeakPolarHBondContact O-CB 3.34Å; M47-I57 HydrophobicContact CE-CD1 3.97Å; M47-I57 HydrophobicContact SD-CD1 3.89Å; M47-Y197 HydrophobicContact CB-CD1 3.86Å; M47-Y197 HydrophobicContact CB-CE1 3.48Å; M47-Y197 VanDerWaalsContact CB-CE1 3.48Å; M47-Y197 HydrophobicContact CG-CD1 3.75Å; M47-Y197 HydrophobicContact CG-CE1 3.92Å; M47-Y197 HydrophobicContact CG-CG 4.46Å; M47-Y197 PolarHBondContact N-OH 3.34Å; M47-Y197 HydrophobicContact SD-CD1 4.32Å; M47-C201 PolarHBondContact SD-SG 3.01Å
48Q96.8Very high97.2Very high66 Ų6641.3 Ų41.331%0.30819%0.186SC..THydrogen-bonded Turntrans-60-20-177.689.4-167-59.500114.2V45 Y46 Y53V45-Q48 WeakPolarHBondContact O-CG 3.36Å; V45-Q48 PolarHBondContact O-NE2 3.04Å; Y46-Q48 PolarHBondContact O-N 2.76Å; Y46-Q48 VanDerWaalsContact O-N 3.14Å; Q48-Y53 HydrophobicContact CB-CD1 4.29Å; Q48-Y53 HydrophobicContact CB-CE1 4.19Å
49F96.9Very high97.1Very high133 Ų13345.1 Ų45.158%0.58321%0.21SC*.THydrogen-bonded Turntrans-93.7-5.7-178.5-57-61.2000113.6V45 Y46 M47V45-F49 HydrophobicContact CG1-CE2 4.45Å; V45-F49 WeakPolarHBondContact O-CE2 3.22Å; Y46-F49 HydrophobicContact CD1-CD2 4.45Å; Y46-F49 PolarHBondContact O-N 3.44Å; M47-F49 PolarHBondContact O-N 2.85Å
50T97.6Very high96.9Very high8 Ų846 Ų465%0.04922%0.215CC..SBendtrans-77.7161.1-179.865.90000112.8M47 Y53 K54 E194 Y197M47-T50 WeakPolarHBondContact O-CB 3.23Å; M47-T50 WeakPolarHBondContact O-CG2 3.49Å; M47-T50 PolarHBondContact O-N 3.21Å; M47-T50 PolarHBondContact O-OG1 2.95Å; T50-Y53 WeakPolarHBondContact OG1-CB 3.06Å; T50-Y53 PolarHBondContact OG1-N 3.31Å; T50-K54 WeakPolarHBondContact O-CG 3.36Å; T50-K54 PolarHBondContact O-N 3.12Å; T50-E194 VanDerWaalsContact CA-OE2 3.23Å; T50-E194 WeakPolarHBondContact CA-OE2 3.35Å; T50-E194 WeakPolarHBondContact CB-OE2 3.3Å; T50-Y197 HydrophobicContact CG2-CD2 3.29Å; T50-Y197 HydrophobicContact CG2-CE2 3.89Å; T50-Y197 HydrophobicContact CG2-CG 3.79Å
51Q97.5Very high96.7Very high122 Ų12252.1 Ų52.157%0.5724%0.244SC*.Hα-helixtrans-70.2-36.9169.3-63.8-60.2-3100111.2Y53 K54 K55 E194Q51-Y53 VanDerWaalsContact C-N 3.33Å; Q51-Y53 PolarHBondContact O-N 3.23Å; Q51-K54 PolarHBondContact O-N 3.46Å; Q51-K55 WeakPolarHBondContact O-CB 3.34Å; Q51-K55 PolarHBondContact O-N 2.73Å; Q51-E194 WeakPolarHBondContact CA-OE1 3.17Å; Q51-E194 WeakPolarHBondContact CB-OE1 3.4Å; Q51-E194 VanDerWaalsContact N-CD 3.33Å; Q51-E194 PolarHBondContact N-OE1 3.24Å; Q51-E194 PolarHBondContact N-OE2 2.96Å
52T94.5Very high96.6Very high10 Ų1052.6 Ų52.66%0.06125%0.247CC..Hα-helixtrans-53.3-49.8176.2-60.10000111.3H56 E194 E198 C201T52-H56 WeakPolarHBondContact O-CB 3.39Å; T52-H56 PolarHBondContact O-N 3.46Å; T52-E194 PolarHBondContact N-OE1 3.35Å; T52-E194 PolarHBondContact OG1-OE1 2.77Å; T52-E198 WeakPolarHBondContact OG1-CG 3.39Å; T52-C201 HydrophobicContact CG2-CB 3.74Å
53Y97.2Very high96.5Very high15 Ų1552.8 Ų52.86%0.05925%0.248CC..Iπ-helixtrans-62.2-51.5176.8-179.1-92.2000112.4L38 M47 Q48 T50 Q51 K55 H56 I57 E58L38-Y53 HydrophobicContact CD1-CE2 3.91Å; M47-Y53 HydrophobicContact CE-CD2 4.09Å; M47-Y53 HydrophobicContact CE-CE2 4.44Å; M47-Y53 HydrophobicContact CG-CD2 4.24Å; M47-Y53 WeakPolarHBondContact O-CB 3.34Å; Q48-Y53 HydrophobicContact CB-CD1 4.29Å; Q48-Y53 HydrophobicContact CB-CE1 4.19Å; T50-Y53 WeakPolarHBondContact OG1-CB 3.06Å; T50-Y53 PolarHBondContact OG1-N 3.31Å; Q51-Y53 VanDerWaalsContact C-N 3.33Å; Q51-Y53 PolarHBondContact O-N 3.23Å; Y53-K55 VanDerWaalsContact C-N 3.26Å; Y53-K55 PolarHBondContact O-N 2.99Å; Y53-H56 PolarHBondContact O-N 3.44Å; Y53-I57 HydrophobicContact CD2-CB 3.65Å; Y53-I57 HydrophobicContact CD2-CD1 3.99Å; Y53-I57 HydrophobicContact CD2-CG1 4.34Å; Y53-I57 HydrophobicContact CD2-CG2 3.72Å; Y53-I57 HydrophobicContact CE2-CB 3.9Å; Y53-I57 HydrophobicContact CE2-CG2 3.47Å; Y53-I57 VanDerWaalsContact CE2-CG2 3.47Å; Y53-I57 HydrophobicContact CG-CB 4.26Å; Y53-I57 PolarHBondContact O-N 3.28Å; Y53-E58 HydrophobicContact CD1-CB 4.12Å; Y53-E58 HydrophobicContact CE1-CB 3.8Å; Y53-E58 HydrophobicContact CE1-CG 4.36Å; Y53-E58 PolarHBondContact O-N 3.17Å
54K97.4Very high96.5Very high95 Ų9553.3 Ų53.341%0.41325%0.251SS..Iπ-helixtrans-60-36.1-178.1-69.8172.6-175.8170.20112.7T50 Q51 P59T50-K54 WeakPolarHBondContact O-CG 3.36Å; T50-K54 PolarHBondContact O-N 3.12Å; Q51-K54 PolarHBondContact O-N 3.46Å; K54-P59 WeakPolarHBondContact O-CD 3.41Å
55K96.5Very high96.4Very high150 Ų15053.2 Ų53.265%0.65225%0.25SS*.Iπ-helixtrans-82.1-35.1-176.7-173.8177.9169.5-161.80113Q51 Y53Q51-K55 WeakPolarHBondContact O-CB 3.34Å; Q51-K55 PolarHBondContact O-N 2.73Å; Y53-K55 VanDerWaalsContact C-N 3.26Å; Y53-K55 PolarHBondContact O-N 2.99Å
56H95.2Very high96.5Very high50 Ų5052.8 Ų52.823%0.23125%0.248CC..Iπ-helixtrans-121.1-32.5-166.6-61.6-69.3000115.1T52 Y53 L60 L205T52-H56 WeakPolarHBondContact O-CB 3.39Å; T52-H56 PolarHBondContact O-N 3.46Å; Y53-H56 PolarHBondContact O-N 3.44Å; H56-L60 WeakPolarHBondContact O-CD1 3.35Å; H56-L60 WeakPolarHBondContact O-CG 3.49Å; H56-L205 HydrophobicContact CB-CD1 3.7Å; H56-L205 HydrophobicContact CB-CD2 3.57Å; H56-L205 HydrophobicContact CB-CG 4.3Å
57I96.2Very high96.5Very high0 Ų048.6 Ų48.60%023%0.232CC..Iπ-helixtrans-101-46-173.9-58.5177.1000111.3L38 M47 Y53 P59 L60 C62 L204 L205L38-I57 HydrophobicContact CD1-CG2 4.5Å; M47-I57 HydrophobicContact CE-CD1 3.97Å; M47-I57 HydrophobicContact SD-CD1 3.89Å; Y53-I57 HydrophobicContact CD2-CB 3.65Å; Y53-I57 HydrophobicContact CD2-CD1 3.99Å; Y53-I57 HydrophobicContact CD2-CG1 4.34Å; Y53-I57 HydrophobicContact CD2-CG2 3.72Å; Y53-I57 HydrophobicContact CE2-CB 3.9Å; Y53-I57 HydrophobicContact CE2-CG2 3.47Å; Y53-I57 VanDerWaalsContact CE2-CG2 3.47Å; Y53-I57 HydrophobicContact CG-CB 4.26Å; Y53-I57 PolarHBondContact O-N 3.28Å; I57-P59 VanDerWaalsContact C-CD 3.48Å; I57-L60 WeakPolarHBondContact O-CB 3.17Å; I57-L60 PolarHBondContact O-N 3.27Å; I57-C62 HydrophobicContact CG2-CB 3.93Å; I57-C62 VanDerWaalsContact O-CB 3.3Å; I57-C62 WeakPolarHBondContact O-CB 3.45Å; I57-L204 HydrophobicContact CD1-CD2 4.39Å; I57-L205 HydrophobicContact CD1-CD2 4.39Å; I57-L205 HydrophobicContact CG1-CD2 3.64Å
58E94.7Very high96.5Very high108 Ų10850.6 Ų50.651%0.50525%0.246SC..G310 helixtrans-55.9-41.9178.6-173.9172.7-152.600113Y53 L60 H61Y53-E58 HydrophobicContact CD1-CB 4.12Å; Y53-E58 HydrophobicContact CE1-CB 3.8Å; Y53-E58 HydrophobicContact CE1-CG 4.36Å; Y53-E58 PolarHBondContact O-N 3.17Å; E58-L60 PolarHBondContact O-N 3.43Å; E58-L60 VanDerWaalsContact O-N 3.12Å; E58-H61 PolarHBondContact O-N 2.92Å
59P95.2Very high96.5Very high79 Ų7952.4 Ų52.451%0.51326%0.257SS..G310 helixtrans-64.3-14.7177.4-24.137000115K54 I57 H61K54-P59 WeakPolarHBondContact O-CD 3.41Å; I57-P59 VanDerWaalsContact C-CD 3.48Å; P59-H61 PolarHBondContact O-N 3.03Å; P59-H61 VanDerWaalsContact O-N 3.16Å
60L94.9Very high96.5Very high19 Ų1946.1 Ų46.110%0.09923%0.23CC..G310 helixtrans-80.620176-54.7175.7000112.7V36 H56 I57 E58 C62 L208 L212V36-L60 HydrophobicContact CG2-CB 4.19Å; H56-L60 WeakPolarHBondContact O-CD1 3.35Å; H56-L60 WeakPolarHBondContact O-CG 3.49Å; I57-L60 WeakPolarHBondContact O-CB 3.17Å; I57-L60 PolarHBondContact O-N 3.27Å; E58-L60 PolarHBondContact O-N 3.43Å; E58-L60 VanDerWaalsContact O-N 3.12Å; L60-C62 VanDerWaalsContact C-N 3.25Å; L60-C62 PolarHBondContact O-N 2.91Å; L60-L208 HydrophobicContact CD1-CB 4.1Å; L60-L208 HydrophobicContact CD1-CD1 4.06Å; L60-L212 HydrophobicContact CB-CD1 4.01Å; L60-L212 HydrophobicContact CD1-CD1 4.04Å; L60-L212 HydrophobicContact CD2-CD1 4.01Å; L60-L212 HydrophobicContact CG-CD1 4.24Å
61H94.3Very high96.5Very high129 Ų12948.4 Ų48.460%0.59724%0.24SC*.THydrogen-bonded Turntrans54.144.8-174.6-62.4-171.9000111.7P34 D35 E58 P59P34-H61 WeakPolarHBondContact CA-O 3.39Å; P34-H61 WeakPolarHBondContact CB-O 3.38Å; D35-H61 HydrophobicContact CB-CB 4.24Å; D35-H61 PolarHBondContact N-O 2.9Å; D35-H61 VanDerWaalsContact N-O 3.15Å; E58-H61 PolarHBondContact O-N 2.92Å; P59-H61 PolarHBondContact O-N 3.03Å; P59-H61 VanDerWaalsContact O-N 3.16Å
62C95.2Very high96.6Very high12 Ų1242.6 Ų42.68%0.08121%0.213CC..EExtended strand (participates in β ladder)trans-81.3143.2-1771800000112.1V36 I57 L60V36-C62 HydrophobicContact CB-CB 4.12Å; V36-C62 CarbonylContact O-C 3.54Å; V36-C62 VanDerWaalsContact O-CA 3.3Å; V36-C62 WeakPolarHBondContact O-CA 3.39Å; I57-C62 HydrophobicContact CG2-CB 3.93Å; I57-C62 VanDerWaalsContact O-CB 3.3Å; I57-C62 WeakPolarHBondContact O-CB 3.45Å; L60-C62 VanDerWaalsContact C-N 3.25Å; L60-C62 PolarHBondContact O-N 2.91Å
63V96.4Very high96.7Very high5 Ų543 Ų433%0.0321%0.214CC..EExtended strand (participates in β ladder)trans-117.8141.5160.4-66.10000110.3K32 P34 V36 V37 L38 F65K32-V63 HydrophobicContact CB-CG1 4.41Å; K32-V63 HydrophobicContact CD-CG1 3.67Å; P34-V63 HydrophobicContact CB-CB 4.29Å; P34-V63 HydrophobicContact CB-CG1 3.87Å; P34-V63 HydrophobicContact CB-CG2 3.63Å; P34-V63 HydrophobicContact CG-CG1 4.3Å; P34-V63 HydrophobicContact CG-CG2 3.61Å; V36-V63 PolarHBondContact O-N 3.48Å; V37-V63 WeakPolarHBondContact CA-O 3.32Å; V37-V63 HydrophobicContact CB-CG2 4.3Å; V37-V63 HydrophobicContact CG1-CG2 4.27Å; V37-V63 HydrophobicContact CG2-CG2 3.81Å; L38-V63 PolarHBondContact N-O 3.11Å; V63-F65 HydrophobicContact CB-CD1 4.3Å; V63-F65 HydrophobicContact CB-CE1 3.74Å; V63-F65 HydrophobicContact CB-CZ 3.96Å; V63-F65 HydrophobicContact CG1-CE1 4.45Å; V63-F65 HydrophobicContact CG2-CD1 4.28Å; V63-F65 HydrophobicContact CG2-CD2 4.37Å; V63-F65 HydrophobicContact CG2-CE1 3.73Å; V63-F65 HydrophobicContact CG2-CE2 3.82Å; V63-F65 HydrophobicContact CG2-CZ 3.46Å; V63-F65 VanDerWaalsContact CG2-CZ 3.46Å
64N97.6Very high96.8Very high14 Ų1442.8 Ų42.88%0.07521%0.214CC..EExtended strand (participates in β ladder)trans-110.5108.1178.4-169.6-21.1000109.9L38 F44 S66L38-N64 HydrophobicContact CB-CB 4.46Å; L38-N64 HydrophobicContact CD1-CB 4.28Å; F44-N64 PolarHBondContact O-ND2 2.93Å; N64-S66 WeakPolarHBondContact OD1-CB 3.31Å; N64-S66 PolarHBondContact OD1-N 2.88Å; N64-S66 VanDerWaalsContact OD1-N 3.09Å; N64-S66 PolarHBondContact OD1-OG 3.33Å
65F97.9Very high96.8Very high0 Ų038.3 Ų38.30%019%0.194CC..  trans-10435.2179.5-62.7-19.8000111.2F25 Q28 A29 V37 L38 L39 V63 R78 E83 F87F25-F65 HydrophobicContact CB-CB 4.49Å; F25-F65 HydrophobicContact CB-CD1 3.57Å; F25-F65 HydrophobicContact CB-CE1 3.81Å; F25-F65 HydrophobicContact CB-CG 3.97Å; F25-F65 HydrophobicContact CB-CZ 4.4Å; F25-F65 AromaticContact CD1-CD1 3.53Å; F25-F65 HydrophobicContact CD1-CD1 3.53Å; F25-F65 AromaticContact CD1-CE1 4Å; F25-F65 HydrophobicContact CD1-CE1 4Å; F25-F65 HydrophobicContact CD1-CG 4.46Å; F25-F65 HydrophobicContact CD2-CB 3.9Å; F25-F65 HydrophobicContact CD2-CD1 4.07Å; F25-F65 HydrophobicContact CD2-CG 4.23Å; F25-F65 HydrophobicContact CE1-CD1 4.19Å; F25-F65 HydrophobicContact CE2-CB 4.27Å; F25-F65 HydrophobicContact CG-CB 4.18Å; F25-F65 AromaticContact CG-CD1 3.46Å; F25-F65 HydrophobicContact CG-CD1 3.46Å; F25-F65 VanDerWaalsContact CG-CD1 3.46Å; F25-F65 HydrophobicContact CG-CE1 4.08Å; F25-F65 AromaticContact CG-CG 4Å; F25-F65 HydrophobicContact CG-CG 4Å; Q28-F65 HydrophobicContact CB-CE1 4.4Å; A29-F65 HydrophobicContact CB-CE2 3.98Å; A29-F65 HydrophobicContact CB-CZ 3.76Å; V37-F65 HydrophobicContact CG1-CD2 3.64Å; V37-F65 HydrophobicContact CG1-CE2 4.07Å; V37-F65 HydrophobicContact CG1-CG 4.36Å; L38-F65 WeakPolarHBondContact O-CA 3.48Å; L38-F65 PolarHBondContact O-N 3.04Å; L39-F65 HydrophobicContact CD2-CB 3.85Å; V63-F65 HydrophobicContact CB-CD1 4.3Å; V63-F65 HydrophobicContact CB-CE1 3.74Å; V63-F65 HydrophobicContact CB-CZ 3.96Å; V63-F65 HydrophobicContact CG1-CE1 4.45Å; V63-F65 HydrophobicContact CG2-CD1 4.28Å; V63-F65 HydrophobicContact CG2-CD2 4.37Å; V63-F65 HydrophobicContact CG2-CE1 3.73Å; V63-F65 HydrophobicContact CG2-CE2 3.82Å; V63-F65 HydrophobicContact CG2-CZ 3.46Å; V63-F65 VanDerWaalsContact CG2-CZ 3.46Å; F65-R78 PolarHBondContact O-NH1 3.5Å; F65-R78 PolarHBondContact O-NH2 2.91Å; F65-E83 HydrophobicContact CD2-CB 4.28Å; F65-E83 WeakPolarHBondContact CE2-O 3.46Å; F65-F87 HydrophobicContact CE2-CZ 4.4Å
66S98.4Very high96.9Very high3 Ų331.6 Ų31.62%0.02117%0.166CC..  trans-87.5144.2177.2-51.80000110.6G40 D41 F44 V45 N64G40-S66 PolarHBondContact N-OG 3.11Å; G40-S66 VanDerWaalsContact N-OG 3.08Å; G40-S66 VanDerWaalsContact O-CA 3.24Å; G40-S66 WeakPolarHBondContact O-CA 3.27Å; G40-S66 VanDerWaalsContact O-CB 3.31Å; G40-S66 WeakPolarHBondContact O-CB 3.47Å; D41-S66 WeakPolarHBondContact O-CB 3.46Å; F44-S66 WeakPolarHBondContact CB-OG 3.42Å; V45-S66 VanDerWaalsContact CG2-C 3.48Å; V45-S66 VanDerWaalsContact CG2-O 3.28Å; V45-S66 WeakPolarHBondContact CG2-O 3.23Å; N64-S66 WeakPolarHBondContact OD1-CB 3.31Å; N64-S66 PolarHBondContact OD1-N 2.88Å; N64-S66 VanDerWaalsContact OD1-N 3.09Å; N64-S66 PolarHBondContact OD1-OG 3.33Å
67I98.4Very high97.1Very high3 Ų331.5 Ų31.52%0.01516%0.163CC..  trans-127.4133.3175.6-56.1-177000108.6W18 Q21 F25 G40 D41 D70W18-I67 HydrophobicContact CD2-CD1 4.49Å; W18-I67 HydrophobicContact CG-CG2 4.47Å; Q21-I67 HydrophobicContact CB-CD1 3.96Å; Q21-I67 HydrophobicContact CB-CG1 4.4Å; F25-I67 HydrophobicContact CE2-CD1 4.13Å; F25-I67 HydrophobicContact CE2-CG1 3.73Å; G40-I67 PolarHBondContact O-N 3.28Å; G40-I67 VanDerWaalsContact O-N 3.17Å; D41-I67 WeakPolarHBondContact CA-O 3.42Å; I67-D70 WeakPolarHBondContact O-CB 3.37Å; I67-D70 PolarHBondContact O-N 3.28Å
68S97.3Very high97.2Very high42 Ų4231.5 Ų31.529%0.29416%0.163SC..THydrogen-bonded Turntrans-60.1140.5-178.9-65.80000111.3D70S68-D70 PolarHBondContact O-N 3.19Å
69N96.5Very high97.3Very high103 Ų10326.3 Ų26.355%0.55114%0.139SC*.THydrogen-bonded Turntrans66.17.4-178.6-50.8-39.9000116Q71 H99N69-Q71 PolarHBondContact O-N 3.39Å; N69-H99 PolarHBondContact OD1-CE1 3.31Å
70D98Very high97.4Very high2 Ų226.2 Ų26.21%0.01113%0.132CC..  trans-58.1141.4172.8-93.412.2000111.1W18 I67 S68 N74 V75 R78 I96W18-D70 PolarHBondContact NE1-OD1 2.89Å; I67-D70 WeakPolarHBondContact O-CB 3.37Å; I67-D70 PolarHBondContact O-N 3.28Å; S68-D70 PolarHBondContact O-N 3.19Å; D70-N74 HydrophobicContact CB-CB 4.24Å; D70-V75 HydrophobicContact CB-CG2 4.16Å; D70-R78 IonicContact OD2-CZ 2.73Å; D70-R78 IonicContact OD2-NE 2.77Å; D70-R78 PolarHBondContact OD2-NE 2.9Å; D70-R78 IonicContact OD2-NH2 3.12Å; D70-R78 PolarHBondContact OD2-NH2 3.16Å; D70-I96 HydrophobicContact CB-CD1 4.04Å; D70-I96 WeakPolarHBondContact O-CD1 3.26Å
71Q98.1Very high97.5Very high56 Ų5628.8 Ų28.826%0.26215%0.146SC..  trans-105.9169.9168.7-63.9-177.637.400109.7N69 Q73 N74 V75 H99 N100N69-Q71 PolarHBondContact O-N 3.39Å; Q71-Q73 VanDerWaalsContact CB-CD 3.49Å; Q71-Q73 HydrophobicContact CB-CG 4.5Å; Q71-Q73 VanDerWaalsContact CB-OE1 3.25Å; Q71-Q73 PolarHBondContact O-N 3.4Å; Q71-Q73 VanDerWaalsContact O-N 3.16Å; Q71-N74 WeakPolarHBondContact CB-OD1 3.16Å; Q71-N74 PolarHBondContact N-OD1 3.1Å; Q71-N74 WeakPolarHBondContact O-CB 3.35Å; Q71-N74 PolarHBondContact O-N 3.3Å; Q71-V75 PolarHBondContact O-N 3.23Å; Q71-H99 HydrophobicContact CG-CB 3.97Å; Q71-N100 WeakPolarHBondContact CA-OD1 3.43Å; Q71-N100 WeakPolarHBondContact CB-OD1 3.21Å; Q71-N100 PolarHBondContact OE1-ND2 3.47Å
72T98.4Very high97.6Very high0 Ų022.8 Ų22.80%012%0.119CC..Hα-helixtrans-51.1-42.7-17953.70000112.9S3 N74 V75 L76 I96 N100 I112 V115S3-T72 WeakPolarHBondContact CA-OG1 3.29Å; S3-T72 WeakPolarHBondContact CB-OG1 3.39Å; S3-T72 PolarHBondContact O-OG1 3.36Å; T72-N74 VanDerWaalsContact C-N 3.32Å; T72-N74 PolarHBondContact O-N 3.16Å; T72-V75 PolarHBondContact O-N 2.79Å; T72-L76 WeakPolarHBondContact O-CB 3.17Å; T72-L76 PolarHBondContact O-N 3.25Å; T72-I96 HydrophobicContact CG2-CG1 4.38Å; T72-I96 HydrophobicContact CG2-CG2 4.06Å; T72-N100 PolarHBondContact N-OD1 3.41Å; T72-N100 PolarHBondContact OG1-ND2 3Å; T72-I112 HydrophobicContact CG2-CG1 3.78Å; T72-V115 WeakPolarHBondContact O-CG2 3.42Å
73Q97.7Very high97.7Very high18 Ų1822.2 Ų22.28%0.08412%0.115CC..Hα-helixtrans-66.8-28.8179.562.9-83.321.200114.4P2 I5 I7 Q71 W77 N100P2-Q73 WeakPolarHBondContact O-CB 3.39Å; I5-Q73 WeakPolarHBondContact O-CB 3.48Å; I7-Q73 PolarHBondContact N-O 3.45Å; I7-Q73 VanDerWaalsContact N-O 3.16Å; Q71-Q73 VanDerWaalsContact CB-CD 3.49Å; Q71-Q73 HydrophobicContact CB-CG 4.5Å; Q71-Q73 VanDerWaalsContact CB-OE1 3.25Å; Q71-Q73 PolarHBondContact O-N 3.4Å; Q71-Q73 VanDerWaalsContact O-N 3.16Å; Q73-W77 PolarHBondContact O-N 3.45Å; Q73-W77 VanDerWaalsContact O-N 3.11Å; Q73-N100 PolarHBondContact OE1-ND2 3.3Å
74N98.2Very high97.7Very high11 Ų1122 Ų226%0.05911%0.114CC..Hα-helixtrans-74.2-45.3178.5-52.8131.9000109.8I7 W18 D70 Q71 T72 L76 W77 R78I7-N74 WeakPolarHBondContact O-CA 3.31Å; I7-N74 PolarHBondContact O-ND2 2.85Å; W18-N74 HydrophobicContact CZ2-CB 4.21Å; D70-N74 HydrophobicContact CB-CB 4.24Å; Q71-N74 WeakPolarHBondContact CB-OD1 3.16Å; Q71-N74 PolarHBondContact N-OD1 3.1Å; Q71-N74 WeakPolarHBondContact O-CB 3.35Å; Q71-N74 PolarHBondContact O-N 3.3Å; T72-N74 VanDerWaalsContact C-N 3.32Å; T72-N74 PolarHBondContact O-N 3.16Å; N74-L76 VanDerWaalsContact C-N 3.31Å; N74-L76 PolarHBondContact O-N 3.4Å; N74-W77 WeakPolarHBondContact O-CB 3.48Å; N74-W77 PolarHBondContact O-N 2.92Å; N74-R78 WeakPolarHBondContact O-CG 3.47Å; N74-R78 PolarHBondContact O-N 2.78Å
75V98.4Very high97.6Very high0 Ų023.9 Ų23.90%012%0.124CC..Hα-helixtrans-60.3-43.3174-173.80000110.9L39 D70 Q71 T72 W77 R78 I79 I96 V115L39-V75 HydrophobicContact CB-CG1 4.23Å; D70-V75 HydrophobicContact CB-CG2 4.16Å; Q71-V75 PolarHBondContact O-N 3.23Å; T72-V75 PolarHBondContact O-N 2.79Å; V75-W77 VanDerWaalsContact C-N 3.31Å; V75-W77 PolarHBondContact O-N 3.04Å; V75-R78 PolarHBondContact O-N 2.88Å; V75-R78 VanDerWaalsContact O-N 3.14Å; V75-I79 HydrophobicContact CG1-CD1 4.05Å; V75-I79 HydrophobicContact CG1-CG1 4.49Å; V75-I79 WeakPolarHBondContact O-CG1 3.23Å; V75-I79 PolarHBondContact O-N 3.28Å; V75-I96 HydrophobicContact CG2-CB 4.41Å; V75-I96 HydrophobicContact CG2-CD1 3.64Å; V75-I96 HydrophobicContact CG2-CG1 3.61Å; V75-V115 HydrophobicContact CB-CG2 4.37Å; V75-V115 HydrophobicContact CG1-CG1 3.86Å
76L98.2Very high97.3Very high10 Ų1027.4 Ų27.45%0.05216%0.16CC..Hα-helixtrans-57.5-45.5176.8-173.463.4000111.5T4 A6 T72 N74 I79 E80 V115 K118T4-L76 WeakPolarHBondContact O-CD2 3.42Å; A6-L76 HydrophobicContact CB-CB 4.35Å; A6-L76 HydrophobicContact CB-CD2 4.04Å; A6-L76 HydrophobicContact CB-CG 3.91Å; T72-L76 WeakPolarHBondContact O-CB 3.17Å; T72-L76 PolarHBondContact O-N 3.25Å; N74-L76 VanDerWaalsContact C-N 3.31Å; N74-L76 PolarHBondContact O-N 3.4Å; L76-I79 PolarHBondContact O-N 2.6Å; L76-E80 WeakPolarHBondContact O-CG 3.31Å; L76-E80 PolarHBondContact O-N 3.45Å; L76-V115 HydrophobicContact CB-CG2 4.21Å; L76-K118 HydrophobicContact CD1-CB 3.52Å; L76-K118 HydrophobicContact CD1-CG 3.89Å
77W98.4Very high97.1Very high47 Ų4728.3 Ų28.318%0.17816%0.164CC..Hα-helixtrans-60.7-44.8175-171.296.1000112.1A6 W18 M19 H22 Q73 N74 V75 I79 E80 N81A6-W77 HydrophobicContact CB-CB 4.12Å; W18-W77 HydrophobicContact CH2-CD2 4.27Å; W18-W77 AromaticContact CH2-CE3 3.44Å; W18-W77 HydrophobicContact CH2-CE3 3.44Å; W18-W77 VanDerWaalsContact CH2-CE3 3.44Å; W18-W77 AromaticContact CH2-CZ3 3.68Å; W18-W77 HydrophobicContact CH2-CZ3 3.68Å; W18-W77 AromaticContact CZ3-CE3 3.88Å; W18-W77 HydrophobicContact CZ3-CE3 3.88Å; W18-W77 HydrophobicContact CZ3-CH2 4.32Å; W18-W77 AromaticContact CZ3-CZ3 3.64Å; W18-W77 HydrophobicContact CZ3-CZ3 3.64Å; M19-W77 HydrophobicContact CE-CH2 3.71Å; M19-W77 HydrophobicContact CE-CZ2 4.35Å; M19-W77 HydrophobicContact CE-CZ3 4.33Å; M19-W77 HydrophobicContact SD-CH2 4.07Å; H22-W77 AromaticContact CD2-CZ3 3.6Å; H22-W77 AromaticContact CE1-CZ3 3.95Å; H22-W77 AromaticContact NE2-CZ3 3.56Å; Q73-W77 PolarHBondContact O-N 3.45Å; Q73-W77 VanDerWaalsContact O-N 3.11Å; N74-W77 WeakPolarHBondContact O-CB 3.48Å; N74-W77 PolarHBondContact O-N 2.92Å; V75-W77 VanDerWaalsContact C-N 3.31Å; V75-W77 PolarHBondContact O-N 3.04Å; W77-I79 VanDerWaalsContact C-N 3.33Å; W77-I79 PolarHBondContact O-N 3.4Å; W77-E80 PolarHBondContact O-N 2.92Å; W77-N81 HydrophobicContact CD2-CB 4.41Å; W77-N81 VanDerWaalsContact CD2-ND2 3.27Å; W77-N81 HydrophobicContact CE3-CB 4.05Å; W77-N81 HydrophobicContact CH2-CB 3.98Å; W77-N81 HydrophobicContact CZ2-CB 4.32Å; W77-N81 HydrophobicContact CZ3-CB 3.85Å; W77-N81 PolarHBondContact NE1-ND2 3.07Å; W77-N81 WeakPolarHBondContact O-CB 3.36Å; W77-N81 PolarHBondContact O-N 2.8Å; W77-N81 PolarHBondContact O-ND2 3.33Å
78R98.4Very high96.9Very high0 Ų031.6 Ų31.60%019%0.187CC..Hα-helixtrans-60.7-40.9179.7-73.7-172.1-61.8111.3-21112.8W18 F65 D70 N74 V75 N81 G82 E83W18-R78 HydrophobicContact CH2-CG 3.64Å; W18-R78 HydrophobicContact CZ2-CG 3.59Å; F65-R78 PolarHBondContact O-NH1 3.5Å; F65-R78 PolarHBondContact O-NH2 2.91Å; D70-R78 IonicContact OD2-CZ 2.73Å; D70-R78 IonicContact OD2-NE 2.77Å; D70-R78 PolarHBondContact OD2-NE 2.9Å; D70-R78 IonicContact OD2-NH2 3.12Å; D70-R78 PolarHBondContact OD2-NH2 3.16Å; N74-R78 WeakPolarHBondContact O-CG 3.47Å; N74-R78 PolarHBondContact O-N 2.78Å; V75-R78 PolarHBondContact O-N 2.88Å; V75-R78 VanDerWaalsContact O-N 3.14Å; R78-N81 CarbonylContact O-C 3.55Å; R78-N81 PolarHBondContact O-N 3.21Å; R78-G82 PolarHBondContact O-N 3.22Å; R78-E83 HydrophobicContact CB-CG 4.34Å; R78-E83 VanDerWaalsContact CD-OE1 3.26Å; R78-E83 WeakPolarHBondContact CD-OE1 3.37Å; R78-E83 IonicContact CZ-OE2 2.71Å; R78-E83 IonicContact NH1-OE1 3.37Å; R78-E83 IonicContact NH1-OE2 3.79Å; R78-E83 PolarHBondContact NH1-OE2 2.84Å; R78-E83 PolarHBondContact O-N 3.09Å
79I97.9Very high96.9Very high0 Ų029.7 Ų29.70%017%0.174CC..Iπ-helixtrans-64.5-44.7175-63.8162.1000110.8L39 V75 L76 W77 N81 G82 L84 V115 K118 T119 K122L39-I79 HydrophobicContact CD1-CD1 4.03Å; L39-I79 HydrophobicContact CD1-CG1 4.09Å; V75-I79 HydrophobicContact CG1-CD1 4.05Å; V75-I79 HydrophobicContact CG1-CG1 4.49Å; V75-I79 WeakPolarHBondContact O-CG1 3.23Å; V75-I79 PolarHBondContact O-N 3.28Å; L76-I79 PolarHBondContact O-N 2.6Å; W77-I79 VanDerWaalsContact C-N 3.33Å; W77-I79 PolarHBondContact O-N 3.4Å; I79-N81 PolarHBondContact O-N 3.16Å; I79-G82 PolarHBondContact O-N 2.74Å; I79-L84 HydrophobicContact CG1-CD1 4.1Å; I79-L84 HydrophobicContact CG1-CG 4.38Å; I79-L84 HydrophobicContact CG2-CB 4.41Å; I79-L84 HydrophobicContact CG2-CD1 3.81Å; I79-L84 HydrophobicContact CG2-CG 4.21Å; I79-V115 HydrophobicContact CD1-CG1 3.72Å; I79-K118 HydrophobicContact CB-CG 4.21Å; I79-K118 HydrophobicContact CG2-CG 3.56Å; I79-T119 WeakPolarHBondContact CD1-OG1 3.29Å; I79-K122 HydrophobicContact CG2-CG 3.85Å
80E97.2Very high96.9Very high76 Ų7629.6 Ų29.636%0.35517%0.169SC..Iπ-helixtrans-62.3-30.4177.8-73.7-173.6163.900112.8A6 L76 W77 K118A6-E80 WeakPolarHBondContact CB-OE2 3.2Å; L76-E80 WeakPolarHBondContact O-CG 3.31Å; L76-E80 PolarHBondContact O-N 3.45Å; W77-E80 PolarHBondContact O-N 2.92Å; E80-K118 HydrophobicContact CG-CD 3.91Å; E80-K118 VanDerWaalsContact CG-CE 3.43Å; E80-K118 HydrophobicContact CG-CG 4.24Å; E80-K118 WeakPolarHBondContact OE1-CE 3.4Å; E80-K118 IonicContact OE1-NZ 3.45Å; E80-K118 PolarHBondContact OE1-NZ 3.5Å
81N97.4Very high96.9Very high73 Ų7329.5 Ų29.539%0.3917%0.168SC..Iπ-helixtrans-100.620.8-175.8-69-88.4000113.7H22 W77 R78 I79H22-N81 PolarHBondContact NE2-O 3.05Å; W77-N81 HydrophobicContact CD2-CB 4.41Å; W77-N81 VanDerWaalsContact CD2-ND2 3.27Å; W77-N81 HydrophobicContact CE3-CB 4.05Å; W77-N81 HydrophobicContact CH2-CB 3.98Å; W77-N81 HydrophobicContact CZ2-CB 4.32Å; W77-N81 HydrophobicContact CZ3-CB 3.85Å; W77-N81 PolarHBondContact NE1-ND2 3.07Å; W77-N81 WeakPolarHBondContact O-CB 3.36Å; W77-N81 PolarHBondContact O-N 2.8Å; W77-N81 PolarHBondContact O-ND2 3.33Å; R78-N81 CarbonylContact O-C 3.55Å; R78-N81 PolarHBondContact O-N 3.21Å; I79-N81 PolarHBondContact O-N 3.16Å
82G96Very high96.9Very high4 Ų426.9 Ų26.94%0.04116%0.156CC..Iπ-helixtrans110.44.6156.300000117.2R78 I79 L84 D85R78-G82 PolarHBondContact O-N 3.22Å; I79-G82 PolarHBondContact O-N 2.74Å; G82-L84 PolarHBondContact O-N 2.84Å; G82-D85 WeakPolarHBondContact CA-OD2 3.2Å; G82-D85 PolarHBondContact O-N 3.08Å; G82-D85 VanDerWaalsContact O-N 3.17Å
83E97Very high97Very high0 Ų026.9 Ų26.90%016%0.156CC..Iπ-helixtrans-66.7-18.3177.4-74.7-173.2-165.300114H22 F25 V26 F65 R78 F87H22-E83 IonicContact CE1-OE1 3.8Å; H22-E83 IonicContact CG-OE1 2.74Å; H22-E83 IonicContact ND1-OE1 2.68Å; H22-E83 PolarHBondContact ND1-OE1 2.83Å; F25-E83 HydrophobicContact CB-CG 4.11Å; V26-E83 HydrophobicContact CG2-CG 3.9Å; F65-E83 HydrophobicContact CD2-CB 4.28Å; F65-E83 WeakPolarHBondContact CE2-O 3.46Å; R78-E83 HydrophobicContact CB-CG 4.34Å; R78-E83 VanDerWaalsContact CD-OE1 3.26Å; R78-E83 WeakPolarHBondContact CD-OE1 3.37Å; R78-E83 IonicContact CZ-OE2 2.71Å; R78-E83 IonicContact NH1-OE1 3.37Å; R78-E83 IonicContact NH1-OE2 3.79Å; R78-E83 PolarHBondContact NH1-OE2 2.84Å; R78-E83 PolarHBondContact O-N 3.09Å; E83-F87 WeakPolarHBondContact O-CE1 3.38Å; E83-F87 WeakPolarHBondContact O-CZ 3.27Å
84L97Very high97Very high1 Ų126 Ų261%0.00515%0.152CC..THydrogen-bonded Turntrans-112.921.1174.1-62.3-172.6000112.9V37 L39 I79 G82 F87 T119 K122 Q123V37-L84 HydrophobicContact CG1-CD2 4.05Å; L39-L84 HydrophobicContact CD1-CD1 4.19Å; L39-L84 HydrophobicContact CD1-CD2 4.4Å; I79-L84 HydrophobicContact CG1-CD1 4.1Å; I79-L84 HydrophobicContact CG1-CG 4.38Å; I79-L84 HydrophobicContact CG2-CB 4.41Å; I79-L84 HydrophobicContact CG2-CD1 3.81Å; I79-L84 HydrophobicContact CG2-CG 4.21Å; G82-L84 PolarHBondContact O-N 2.84Å; L84-F87 HydrophobicContact CD2-CZ 4.02Å; L84-T119 HydrophobicContact CD1-CG2 3.83Å; L84-K122 HydrophobicContact CB-CB 4.05Å; L84-K122 HydrophobicContact CD1-CB 4.42Å; L84-Q123 HydrophobicContact CB-CG 4.15Å; L84-Q123 HydrophobicContact CD1-CG 4.25Å; L84-Q123 PolarHBondContact O-NE2 2.88Å
85D94.9Very high97Very high53 Ų5325.7 Ų25.728%0.28315%0.15SC..SBendtrans-103.9138.2-177.3-69.4-11.6000112.4G82 F87 K122G82-D85 WeakPolarHBondContact CA-OD2 3.2Å; G82-D85 PolarHBondContact O-N 3.08Å; G82-D85 VanDerWaalsContact O-N 3.17Å; D85-F87 WeakPolarHBondContact O-CD1 3.44Å; D85-K122 VanDerWaalsContact CG-NZ 3.34Å; D85-K122 WeakPolarHBondContact OD1-CD 3.34Å; D85-K122 WeakPolarHBondContact OD1-CE 3.48Å; D85-K122 IonicContact OD1-NZ 3.53Å; D85-K122 PolarHBondContact OD1-NZ 3.05Å; D85-K122 IonicContact OD2-NZ 3.42Å; D85-K122 PolarHBondContact OD2-NZ 3.45Å; D85-K122 VanDerWaalsContact OD2-NZ 3.12Å
86G92.3Very high97Very high74 Ų7425.9 Ų25.976%0.76315%0.151SC*.SBendtrans87.311.8168.900000116.2
87F93.9Very high97Very high21 Ų2125.5 Ų25.59%0.09215%0.149CC..  trans-150173.2173.966.7-75.1000109.1A29 P34 V37 F65 E83 L84 D85 P89 Q123A29-F87 HydrophobicContact CB-CD1 3.84Å; A29-F87 HydrophobicContact CB-CE1 3.5Å; A29-F87 VanDerWaalsContact CB-CE1 3.5Å; A29-F87 HydrophobicContact CB-CZ 4.14Å; P34-F87 HydrophobicContact CG-CD2 3.66Å; P34-F87 HydrophobicContact CG-CE2 3.58Å; P34-F87 HydrophobicContact CG-CZ 4.49Å; V37-F87 HydrophobicContact CG2-CE2 3.64Å; V37-F87 HydrophobicContact CG2-CZ 4.08Å; F65-F87 HydrophobicContact CE2-CZ 4.4Å; E83-F87 WeakPolarHBondContact O-CE1 3.38Å; E83-F87 WeakPolarHBondContact O-CZ 3.27Å; L84-F87 HydrophobicContact CD2-CZ 4.02Å; D85-F87 WeakPolarHBondContact O-CD1 3.44Å; F87-P89 HydrophobicContact CD2-CB 4.45Å; F87-P89 HydrophobicContact CD2-CG 4.26Å; F87-P89 HydrophobicContact CE2-CB 4.16Å; F87-P89 HydrophobicContact CE2-CG 3.79Å; F87-Q123 PolarHBondContact O-NE2 3.17Å; F87-Q123 PolarHBondContact O-OE1 3.27Å
88S94.6Very high97Very high73 Ų7323.5 Ų23.551%0.5114%0.143SC..  trans-137.590.8-179.1-166.70000110.1
89P96.4Very high96.9Very high2 Ų224.9 Ų24.91%0.01315%0.149CC..  trans-69155.3175.833.2-31.3000110.1P34 V37 F87 V92 Q123 A126P34-P89 VanDerWaalsContact O-CA 3.26Å; P34-P89 WeakPolarHBondContact O-CA 3.22Å; P34-P89 WeakPolarHBondContact O-CB 3.36Å; V37-P89 HydrophobicContact CG2-CB 3.83Å; V37-P89 HydrophobicContact CG2-CG 3.93Å; F87-P89 HydrophobicContact CD2-CB 4.45Å; F87-P89 HydrophobicContact CD2-CG 4.26Å; F87-P89 HydrophobicContact CE2-CB 4.16Å; F87-P89 HydrophobicContact CE2-CG 3.79Å; P89-V92 HydrophobicContact CG-CG2 3.82Å; P89-Q123 VanDerWaalsContact CD-CD 3.41Å; P89-Q123 VanDerWaalsContact CD-OE1 3.24Å; P89-Q123 HydrophobicContact CG-CG 4.31Å; P89-A126 HydrophobicContact CG-CB 4.45Å; P89-A126 WeakPolarHBondContact O-CB 3.07Å
90K97.1Very high96.9Very high101 Ų10125 Ų2544%0.43915%0.149SC..SBendtrans-78-35.5172.6-65.6172.7-175.4147.10111D35 A126 S127 L212D35-K90 HydrophobicContact CB-CD 4.28Å; D35-K90 PolarHBondContact O-N 3.02Å; D35-K90 VanDerWaalsContact OD1-CD 3.31Å; D35-K90 WeakPolarHBondContact OD1-CD 3.47Å; D35-K90 WeakPolarHBondContact OD1-CE 3.39Å; D35-K90 IonicContact OD1-NZ 2.89Å; D35-K90 PolarHBondContact OD1-NZ 3.17Å; D35-K90 IonicContact OD2-NZ 2.89Å; D35-K90 PolarHBondContact OD2-NZ 3.33Å; K90-A126 CarbonylContact O-C 3.55Å; K90-A126 WeakPolarHBondContact O-CA 3.13Å; K90-S127 PolarHBondContact O-N 3.43Å; K90-L212 HydrophobicContact CB-CD2 3.68Å; K90-L212 HydrophobicContact CD-CD2 3.62Å; K90-L212 HydrophobicContact CG-CD2 4.31Å
91V98Very high96.8Very high0 Ų025.3 Ų25.30%016%0.156CC..EExtended strand (participates in β ladder)trans-134.9137.2-178-1690000111.1D35 V36 V37 V93 S127 I129 L208 L212D35-V91 PolarHBondContact O-N 3.26Å; V36-V91 WeakPolarHBondContact CA-O 3.42Å; V36-V91 HydrophobicContact CG2-CB 4.4Å; V37-V91 PolarHBondContact N-O 2.77Å; V91-V93 HydrophobicContact CG1-CG2 4.18Å; V91-S127 CarbonylContact C-O 3.47Å; V91-S127 WeakPolarHBondContact CA-O 3.22Å; V91-I129 HydrophobicContact CG1-CD1 3.67Å; V91-I129 HydrophobicContact CG1-CG1 4.06Å; V91-L208 HydrophobicContact CB-CD2 4.26Å; V91-L208 HydrophobicContact CG1-CD2 3.92Å; V91-L212 HydrophobicContact CG2-CD2 3.92Å; V91-L212 HydrophobicContact CG2-CG 4.15Å
92V98.4Very high96.7Very high0 Ų029.3 Ų29.30%018%0.178CC..EExtended strand (participates in β ladder)trans-117.2131.4165.7-176.20000108.5V37 L39 P89 I94 T119 A126 S127 L128 I129V37-V92 HydrophobicContact CB-CG2 4.39Å; V37-V92 CarbonylContact O-C 3.59Å; V37-V92 WeakPolarHBondContact O-CA 3.31Å; L39-V92 HydrophobicContact CD1-CG1 3.85Å; L39-V92 HydrophobicContact CG-CG1 4.4Å; P89-V92 HydrophobicContact CG-CG2 3.82Å; V92-I94 HydrophobicContact CG1-CG1 4.36Å; V92-T119 HydrophobicContact CB-CG2 4.05Å; V92-T119 HydrophobicContact CG1-CG2 3.76Å; V92-T119 HydrophobicContact CG2-CG2 4.21Å; V92-A126 HydrophobicContact CG2-CB 4.03Å; V92-S127 PolarHBondContact N-O 2.75Å; V92-L128 HydrophobicContact CB-CD1 3.81Å; V92-L128 HydrophobicContact CG1-CD1 4.08Å; V92-L128 WeakPolarHBondContact O-CD1 3.28Å; V92-I129 PolarHBondContact O-N 3.4Å
93V98.7Very high96.7Very high0 Ų030 Ų300%018%0.18CC..EExtended strand (participates in β ladder)trans-114.6127.8178.3-168.90000108.9V36 V37 L38 L39 F44 V91 I129 M131 L204 L208V36-V93 HydrophobicContact CG1-CG2 4.3Å; V37-V93 PolarHBondContact O-N 2.91Å; L38-V93 HydrophobicContact CD2-CB 3.58Å; L38-V93 HydrophobicContact CD2-CG1 4.29Å; L38-V93 HydrophobicContact CD2-CG2 3.66Å; L39-V93 PolarHBondContact N-O 2.8Å; F44-V93 HydrophobicContact CE2-CB 4.49Å; F44-V93 HydrophobicContact CE2-CG1 4.07Å; F44-V93 HydrophobicContact CZ-CG1 3.77Å; V91-V93 HydrophobicContact CG1-CG2 4.18Å; V93-I129 CarbonylContact C-O 3.6Å; V93-I129 WeakPolarHBondContact CA-O 3.48Å; V93-I129 HydrophobicContact CG1-CB 4.21Å; V93-I129 HydrophobicContact CG1-CG2 4.2Å; V93-I129 HydrophobicContact CG2-CB 4.34Å; V93-I129 HydrophobicContact CG2-CD1 4.26Å; V93-M131 HydrophobicContact CG1-CG 4.21Å; V93-M131 HydrophobicContact CG1-SD 4.16Å; V93-L204 HydrophobicContact CG1-CD1 3.76Å; V93-L204 HydrophobicContact CG2-CD1 4.1Å; V93-L208 HydrophobicContact CG2-CD2 4.11Å
94I98.8Very high96.7Very high0 Ų031.9 Ų31.90%019%0.194CC..EExtended strand (participates in β ladder)trans-117.4128.2-179-60167.6000109.8L39 V92 I96 V115 V116 T119 L128 I129 V130 M131L39-I94 HydrophobicContact CB-CG1 4.37Å; L39-I94 VanDerWaalsContact O-CA 3.31Å; L39-I94 WeakPolarHBondContact O-CA 3.31Å; V92-I94 HydrophobicContact CG1-CG1 4.36Å; I94-I96 HydrophobicContact CG2-CG2 3.86Å; I94-V115 HydrophobicContact CD1-CG1 3.95Å; I94-V115 HydrophobicContact CG2-CG1 4.22Å; I94-V116 HydrophobicContact CD1-CG2 4.17Å; I94-T119 HydrophobicContact CD1-CG2 4.44Å; I94-L128 HydrophobicContact CD1-CD1 3.69Å; I94-L128 HydrophobicContact CD1-CD2 4.43Å; I94-L128 HydrophobicContact CD1-CG 4.41Å; I94-L128 HydrophobicContact CG1-CD1 4.22Å; I94-I129 PolarHBondContact N-O 3.48Å; I94-V130 HydrophobicContact CB-CG2 4.45Å; I94-V130 WeakPolarHBondContact O-CA 3.47Å; I94-M131 PolarHBondContact O-N 3.25Å
95M98.6Very high96.7Very high5 Ų534.4 Ų34.43%0.02521%0.206CC..EExtended strand (participates in β ladder)trans-140.5103.7167.9-170.6179.9-179.600109.2L39 G40 D41 I43 F44 M131 G132 L134 L200L39-M95 PolarHBondContact O-N 3.14Å; G40-M95 WeakPolarHBondContact CA-O 3.24Å; D41-M95 PolarHBondContact N-O 3.03Å; I43-M95 HydrophobicContact CB-CE 4.43Å; I43-M95 HydrophobicContact CB-SD 4.32Å; I43-M95 HydrophobicContact CG1-CE 4.46Å; I43-M95 HydrophobicContact CG2-CE 3.9Å; I43-M95 HydrophobicContact CG2-SD 3.79Å; F44-M95 HydrophobicContact CD1-CB 4.39Å; F44-M95 HydrophobicContact CD1-SD 4.23Å; F44-M95 HydrophobicContact CD2-CB 4.11Å; F44-M95 HydrophobicContact CE1-CB 3.83Å; F44-M95 HydrophobicContact CE1-CG 4.45Å; F44-M95 HydrophobicContact CE1-SD 3.75Å; F44-M95 HydrophobicContact CE2-CB 3.51Å; F44-M95 HydrophobicContact CZ-CB 3.36Å; F44-M95 HydrophobicContact CZ-CG 4.38Å; F44-M95 HydrophobicContact CZ-SD 4.22Å; M95-M131 HydrophobicContact CB-CB 4.07Å; M95-M131 HydrophobicContact CG-CB 3.99Å; M95-M131 HydrophobicContact SD-CB 4.22Å; M95-G132 WeakPolarHBondContact CE-O 3.45Å; M95-L134 HydrophobicContact CE-CD1 4.06Å; M95-L134 HydrophobicContact CE-CG 3.86Å; M95-L200 HydrophobicContact CE-CD1 4.29Å; M95-L200 HydrophobicContact SD-CD2 4.42Å
96I98.5Very high96.8Very high3 Ų336.3 Ų36.32%0.01521%0.213CC..  trans-152.3159.3-172.8-165.661.8000110.7D41 D70 T72 V75 I94 I112 L133D41-I96 HydrophobicContact CB-CD1 3.81Å; D70-I96 HydrophobicContact CB-CD1 4.04Å; D70-I96 WeakPolarHBondContact O-CD1 3.26Å; T72-I96 HydrophobicContact CG2-CG1 4.38Å; T72-I96 HydrophobicContact CG2-CG2 4.06Å; V75-I96 HydrophobicContact CG2-CB 4.41Å; V75-I96 HydrophobicContact CG2-CD1 3.64Å; V75-I96 HydrophobicContact CG2-CG1 3.61Å; I94-I96 HydrophobicContact CG2-CG2 3.86Å; I96-I112 HydrophobicContact CG2-CG1 4.08Å; I96-I112 WeakPolarHBondContact O-CD1 3.38Å; I96-L133 WeakPolarHBondContact O-CD2 2.93Å
97G98.1Very high97.1Very high2 Ų234.6 Ų34.62%0.02119%0.185CC..  trans118.2-12.4174.300000113.6H99 N100G97-H99 PolarHBondContact O-N 2.63Å; G97-N100 PolarHBondContact O-N 3.4Å
98S97.5Very high97.3Very high6 Ų633.6 Ų33.64%0.04218%0.181CC..THydrogen-bonded Turntrans-63.5-28.1-179.182.10000112.8D41 R143 M190D41-S98 PolarHBondContact OD2-OG 3.4Å; S98-R143 PolarHBondContact O-NH2 2.77Å; S98-M190 WeakPolarHBondContact OG-CE 3.26Å
99H97.1Very high97.4Very high29 Ų2930.8 Ų30.813%0.13416%0.16CC..THydrogen-bonded Turntrans-94.1-2.5179.9-65.6-74.7000114.4D41 S42 N69 Q71 G97 V101D41-H99 IonicContact OD2-CD2 2.79Å; D41-H99 PolarHBondContact OD2-CD2 2.73Å; D41-H99 IonicContact OD2-NE2 3.45Å; S42-H99 PolarHBondContact OG-NE2 2.65Å; N69-H99 PolarHBondContact OD1-CE1 3.31Å; Q71-H99 HydrophobicContact CG-CB 3.97Å; G97-H99 PolarHBondContact O-N 2.63Å; H99-V101 PolarHBondContact O-N 2.74Å
100N97.2Very high97.5Very high1 Ų135.9 Ų35.91%0.00518%0.182CC..  trans-75.858.6172.6-73.882.4000110.2Q71 T72 Q73 G97 N102 D103 V108 K146Q71-N100 WeakPolarHBondContact CA-OD1 3.43Å; Q71-N100 WeakPolarHBondContact CB-OD1 3.21Å; Q71-N100 PolarHBondContact OE1-ND2 3.47Å; T72-N100 PolarHBondContact N-OD1 3.41Å; T72-N100 PolarHBondContact OG1-ND2 3Å; Q73-N100 PolarHBondContact OE1-ND2 3.3Å; G97-N100 PolarHBondContact O-N 3.4Å; N100-N102 PolarHBondContact O-N 3.06Å; N100-D103 HydrophobicContact CB-CB 4.29Å; N100-D103 PolarHBondContact ND2-OD2 3Å; N100-V108 HydrophobicContact CB-CG1 4.26Å; N100-V108 HydrophobicContact CB-CG2 3.68Å; N100-K146 PolarHBondContact O-NZ 3.17Å
101V95.2Very high97.5Very high83 Ų8331 Ų3150%0.50316%0.161SC..THydrogen-bonded Turntrans-64.8-37.9-167.4177.50000112.4H99 K146H99-V101 PolarHBondContact O-N 2.74Å; V101-K146 PolarHBondContact O-NZ 2.89Å
102N94.8Very high97.6Very high158 Ų15831.2 Ų31.285%0.84516%0.162SC*.THydrogen-bonded Turntrans-90.2-13.2-173.2-62.2-33.9000114.4N100N100-N102 PolarHBondContact O-N 3.06Å
103D96.1Very high97.5Very high17 Ų1733.6 Ų33.69%0.09117%0.174CC..SBendtrans-80.8153.1-178.6-65.1-19000110.6S3 N100 E107 V108 K146S3-D103 WeakPolarHBondContact CB-OD2 3.32Å; N100-D103 HydrophobicContact CB-CB 4.29Å; N100-D103 PolarHBondContact ND2-OD2 3Å; D103-E107 VanDerWaalsContact CA-OE2 3.25Å; D103-E107 WeakPolarHBondContact CA-OE2 3.41Å; D103-E107 HydrophobicContact CB-CB 4.04Å; D103-V108 HydrophobicContact CB-CG2 3.93Å; D103-K146 WeakPolarHBondContact O-CE 3.39Å; D103-K146 PolarHBondContact O-NZ 2.85Å
104S96.8Very high97.5Very high40 Ų4035.3 Ų35.328%0.2819%0.186SC..  trans-69162170.697.20000111.6E106 E107 V108S104-E106 WeakPolarHBondContact CB-OE2 3.37Å; S104-E106 PolarHBondContact O-N 3.39Å; S104-E106 PolarHBondContact OG-N 3.32Å; S104-E106 PolarHBondContact OG-OE2 3.14Å; S104-E107 PolarHBondContact N-OE2 3.45Å; S104-E107 PolarHBondContact O-N 2.97Å; S104-E107 VanDerWaalsContact O-N 3.1Å; S104-E107 WeakPolarHBondContact OG-CG 3.4Å; S104-E107 PolarHBondContact OG-N 3.31Å; S104-V108 WeakPolarHBondContact O-CG2 3.5Å; S104-V108 PolarHBondContact O-N 2.79Å
105E97.6Very high97.5Very high55 Ų5535.3 Ų35.326%0.25719%0.186SC..Hα-helixtrans-50.1-46.8172.8-67.177.2-178.100111.3V108 V109 K146 Q149 I150 L153E105-V108 PolarHBondContact O-N 3.42Å; E105-V109 WeakPolarHBondContact O-CG2 3.49Å; E105-V109 PolarHBondContact O-N 3.47Å; E105-K146 HydrophobicContact CG-CG 3.98Å; E105-Q149 HydrophobicContact CB-CG 4.17Å; E105-Q149 HydrophobicContact CG-CB 3.94Å; E105-Q149 HydrophobicContact CG-CG 3.77Å; E105-I150 HydrophobicContact CB-CG1 3.97Å; E105-I150 HydrophobicContact CG-CG1 4.11Å; E105-L153 HydrophobicContact CB-CD1 4.08Å
106E97.4Very high97.4Very high92 Ų9235 Ų3543%0.4319%0.185SC..Hα-helixtrans-67.7-35.6178.7-58.277.8-170.800112.6S104 K110 L153S104-E106 WeakPolarHBondContact CB-OE2 3.37Å; S104-E106 PolarHBondContact O-N 3.39Å; S104-E106 PolarHBondContact OG-N 3.32Å; S104-E106 PolarHBondContact OG-OE2 3.14Å; E106-K110 WeakPolarHBondContact O-CB 3.49Å; E106-K110 VanDerWaalsContact O-CG 3.24Å; E106-K110 WeakPolarHBondContact O-CG 3.49Å; E106-K110 PolarHBondContact O-N 2.95Å; E106-L153 HydrophobicContact CG-CD1 4.28Å
107E97.8Very high97.4Very high39 Ų3939 Ų3918%0.18220%0.204CC..Hα-helixtrans-66.7-41.2174.9-46.6-167.999.500110.8M1 S3 D103 S104 K110 G111M1-E107 WeakPolarHBondContact CB-OE1 3.39Å; M1-E107 HydrophobicContact CE-CB 3.62Å; M1-E107 HydrophobicContact CE-CG 3.31Å; M1-E107 HydrophobicContact SD-CG 3.8Å; S3-E107 WeakPolarHBondContact CB-O 3.46Å; S3-E107 PolarHBondContact OG-O 3.45Å; D103-E107 VanDerWaalsContact CA-OE2 3.25Å; D103-E107 WeakPolarHBondContact CA-OE2 3.41Å; D103-E107 HydrophobicContact CB-CB 4.04Å; S104-E107 PolarHBondContact N-OE2 3.45Å; S104-E107 PolarHBondContact O-N 2.97Å; S104-E107 VanDerWaalsContact O-N 3.1Å; S104-E107 WeakPolarHBondContact OG-CG 3.4Å; S104-E107 PolarHBondContact OG-N 3.31Å; E107-K110 PolarHBondContact O-N 2.71Å; E107-G111 PolarHBondContact O-N 2.65Å
108V98.2Very high97.4Very high0 Ų041.9 Ų41.90%022%0.215CC..Hα-helixtrans-63.5-46.7176.9-176.10000110.1N100 D103 S104 E105 K110 G111 I112 I150N100-V108 HydrophobicContact CB-CG1 4.26Å; N100-V108 HydrophobicContact CB-CG2 3.68Å; D103-V108 HydrophobicContact CB-CG2 3.93Å; S104-V108 WeakPolarHBondContact O-CG2 3.5Å; S104-V108 PolarHBondContact O-N 2.79Å; E105-V108 PolarHBondContact O-N 3.42Å; V108-K110 PolarHBondContact O-N 3.28Å; V108-G111 WeakPolarHBondContact O-CA 3.44Å; V108-G111 PolarHBondContact O-N 3.32Å; V108-I112 HydrophobicContact CG1-CD1 4.07Å; V108-I112 WeakPolarHBondContact O-CG1 3.15Å; V108-I112 PolarHBondContact O-N 2.77Å; V108-I150 HydrophobicContact CB-CD1 3.92Å; V108-I150 HydrophobicContact CB-CG1 4.32Å; V108-I150 HydrophobicContact CG1-CD1 3.93Å; V108-I150 HydrophobicContact CG2-CD1 4.03Å
109V97.9Very high97.4Very high13 Ų1341.7 Ų41.78%0.07921%0.214CC..Hα-helixtrans-57.8-47.1176.4170.50000110.9E105 G111 I112 L113 I150 L153 L154E105-V109 WeakPolarHBondContact O-CG2 3.49Å; E105-V109 PolarHBondContact O-N 3.47Å; V109-G111 VanDerWaalsContact C-N 3.27Å; V109-G111 PolarHBondContact O-N 2.82Å; V109-I112 PolarHBondContact O-N 3.42Å; V109-L113 HydrophobicContact CG1-CD1 4.08Å; V109-L113 HydrophobicContact CG1-CG 4.43Å; V109-L113 VanDerWaalsContact O-CG 3.31Å; V109-L113 WeakPolarHBondContact O-CG 3.22Å; V109-L113 PolarHBondContact O-N 2.7Å; V109-I150 HydrophobicContact CG2-CG2 4.13Å; V109-L153 HydrophobicContact CG1-CB 4.44Å; V109-L153 HydrophobicContact CG2-CB 3.64Å; V109-L153 HydrophobicContact CG2-CD1 4.01Å; V109-L153 HydrophobicContact CG2-CG 4.5Å; V109-L154 HydrophobicContact CB-CD2 4.47Å; V109-L154 HydrophobicContact CG1-CD2 4.08Å; V109-L154 HydrophobicContact CG2-CD2 4.26Å; V109-L154 HydrophobicContact CG2-CG 4.27Å
110K97.7Very high97.4Very high109 Ų10943.5 Ų43.547%0.47422%0.222SC..Hα-helixtrans-60.2-37.3174.7-74.7170.6-177.21740112.4M1 T4 E106 E107 V108 S114M1-K110 HydrophobicContact CE-CD 3.66Å; T4-K110 HydrophobicContact CG2-CB 3.84Å; E106-K110 WeakPolarHBondContact O-CB 3.49Å; E106-K110 VanDerWaalsContact O-CG 3.24Å; E106-K110 WeakPolarHBondContact O-CG 3.49Å; E106-K110 PolarHBondContact O-N 2.95Å; E107-K110 PolarHBondContact O-N 2.71Å; V108-K110 PolarHBondContact O-N 3.28Å; K110-S114 WeakPolarHBondContact O-CB 3.31Å; K110-S114 PolarHBondContact O-N 3.46Å; K110-S114 PolarHBondContact O-OG 2.83Å
111G98.2Very high97.4Very high0 Ų048 Ų480%025%0.253CS..Hα-helixtrans-61.5-50.1174.300000111.9S3 E107 V108 V109 L113 S114 V115S3-G111 VanDerWaalsContact O-CA 3.3Å; S3-G111 WeakPolarHBondContact O-CA 3.37Å; E107-G111 PolarHBondContact O-N 2.65Å; V108-G111 WeakPolarHBondContact O-CA 3.44Å; V108-G111 PolarHBondContact O-N 3.32Å; V109-G111 VanDerWaalsContact C-N 3.27Å; V109-G111 PolarHBondContact O-N 2.82Å; G111-L113 PolarHBondContact O-N 3.36Å; G111-S114 WeakPolarHBondContact O-CB 3.3Å; G111-S114 PolarHBondContact O-N 3.35Å; G111-S114 VanDerWaalsContact O-N 3.12Å; G111-V115 WeakPolarHBondContact O-CG2 3.01Å; G111-V115 PolarHBondContact O-N 2.57Å
112I98.4Very high97.4Very high4 Ų447 Ų472%0.02124%0.242CC..Hα-helixtrans-59.7-46.2177-65.5168.2000110.7T72 I96 V108 V109 S114 V115 V116 V130 I150 L154T72-I112 HydrophobicContact CG2-CG1 3.78Å; I96-I112 HydrophobicContact CG2-CG1 4.08Å; I96-I112 WeakPolarHBondContact O-CD1 3.38Å; V108-I112 HydrophobicContact CG1-CD1 4.07Å; V108-I112 WeakPolarHBondContact O-CG1 3.15Å; V108-I112 PolarHBondContact O-N 2.77Å; V109-I112 PolarHBondContact O-N 3.42Å; I112-S114 VanDerWaalsContact C-N 3.27Å; I112-S114 PolarHBondContact O-N 3.45Å; I112-V115 WeakPolarHBondContact O-CB 3.49Å; I112-V115 PolarHBondContact O-N 3.35Å; I112-V115 VanDerWaalsContact O-N 3.15Å; I112-V116 WeakPolarHBondContact O-CG2 3.48Å; I112-V116 PolarHBondContact O-N 3.21Å; I112-V130 HydrophobicContact CG2-CG1 4.07Å; I112-I150 HydrophobicContact CD1-CG2 4.36Å; I112-L154 HydrophobicContact CB-CD2 4.2Å; I112-L154 HydrophobicContact CD1-CD1 3.81Å; I112-L154 HydrophobicContact CD1-CD2 4.13Å; I112-L154 HydrophobicContact CG2-CD2 3.94Å
113L97.5Very high97.5Very high49 Ų4940 Ų4026%0.25720%0.204SC..Hα-helixtrans-60.4-37.1176-68175.3000112V109 G111 V116 E117 A157 F158V109-L113 HydrophobicContact CG1-CD1 4.08Å; V109-L113 HydrophobicContact CG1-CG 4.43Å; V109-L113 VanDerWaalsContact O-CG 3.31Å; V109-L113 WeakPolarHBondContact O-CG 3.22Å; V109-L113 PolarHBondContact O-N 2.7Å; G111-L113 PolarHBondContact O-N 3.36Å; L113-V116 WeakPolarHBondContact O-CB 3.31Å; L113-V116 PolarHBondContact O-N 3.12Å; L113-E117 WeakPolarHBondContact O-CG 3.17Å; L113-E117 PolarHBondContact O-N 2.88Å; L113-A157 HydrophobicContact CD2-CB 4.37Å; L113-F158 HydrophobicContact CD2-CE1 3.97Å; L113-F158 HydrophobicContact CD2-CZ 3.9Å
114S97.8Very high97.5Very high36 Ų3644.2 Ų44.225%0.25223%0.232SC..Hα-helixtrans-65.9-39.9175.9-58.20000112.1K110 G111 I112 V116 E117 K118K110-S114 WeakPolarHBondContact O-CB 3.31Å; K110-S114 PolarHBondContact O-N 3.46Å; K110-S114 PolarHBondContact O-OG 2.83Å; G111-S114 WeakPolarHBondContact O-CB 3.3Å; G111-S114 PolarHBondContact O-N 3.35Å; G111-S114 VanDerWaalsContact O-N 3.12Å; I112-S114 VanDerWaalsContact C-N 3.27Å; I112-S114 PolarHBondContact O-N 3.45Å; S114-V116 VanDerWaalsContact C-N 3.35Å; S114-E117 PolarHBondContact O-N 3.16Å; S114-K118 WeakPolarHBondContact O-CB 3.44Å; S114-K118 PolarHBondContact O-N 2.71Å
115V98.4Very high97.5Very high0 Ų052.7 Ų52.70%026%0.258CS..Hα-helixtrans-62.6-42.9173.3177.50000110.5T72 V75 L76 I79 I94 G111 I112 K118 T119T72-V115 WeakPolarHBondContact O-CG2 3.42Å; V75-V115 HydrophobicContact CB-CG2 4.37Å; V75-V115 HydrophobicContact CG1-CG1 3.86Å; L76-V115 HydrophobicContact CB-CG2 4.21Å; I79-V115 HydrophobicContact CD1-CG1 3.72Å; I94-V115 HydrophobicContact CD1-CG1 3.95Å; I94-V115 HydrophobicContact CG2-CG1 4.22Å; G111-V115 WeakPolarHBondContact O-CG2 3.01Å; G111-V115 PolarHBondContact O-N 2.57Å; I112-V115 WeakPolarHBondContact O-CB 3.49Å; I112-V115 PolarHBondContact O-N 3.35Å; I112-V115 VanDerWaalsContact O-N 3.15Å; V115-K118 PolarHBondContact O-N 3.31Å; V115-T119 VanDerWaalsContact O-CB 3.29Å; V115-T119 WeakPolarHBondContact O-CB 3.35Å; V115-T119 PolarHBondContact O-N 2.98Å; V115-T119 PolarHBondContact O-OG1 3.47Å
116V98Very high97.4Very high0 Ų051 Ų510%025%0.253CS..Hα-helixtrans-58.7-52.9175.3161.50000111.5I94 I112 L113 S114 K118 T119 K120 L128 V130 F158 V164I94-V116 HydrophobicContact CD1-CG2 4.17Å; I112-V116 WeakPolarHBondContact O-CG2 3.48Å; I112-V116 PolarHBondContact O-N 3.21Å; L113-V116 WeakPolarHBondContact O-CB 3.31Å; L113-V116 PolarHBondContact O-N 3.12Å; S114-V116 VanDerWaalsContact C-N 3.35Å; V116-K118 VanDerWaalsContact C-N 3.34Å; V116-K118 PolarHBondContact O-N 3.02Å; V116-T119 WeakPolarHBondContact O-CB 3.47Å; V116-T119 PolarHBondContact O-N 2.82Å; V116-K120 HydrophobicContact CG1-CD 4.46Å; V116-K120 WeakPolarHBondContact O-CG 3.47Å; V116-K120 PolarHBondContact O-N 3.01Å; V116-L128 HydrophobicContact CB-CD2 4.1Å; V116-L128 HydrophobicContact CG1-CD2 3.63Å; V116-L128 HydrophobicContact CG2-CD2 4.05Å; V116-V130 HydrophobicContact CG2-CG2 3.56Å; V116-F158 HydrophobicContact CG2-CE1 4.38Å; V116-F158 HydrophobicContact CG2-CZ 4.09Å; V116-V164 HydrophobicContact CG1-CG2 4.05Å
117E97.3Very high97.4Very high87 Ų8749 Ų4941%0.40725%0.25SS..Hα-helixtrans-61.2-42.8-179.5-70-46.4122.700112.2L113 S114 K120 S121 R161L113-E117 WeakPolarHBondContact O-CG 3.17Å; L113-E117 PolarHBondContact O-N 2.88Å; S114-E117 PolarHBondContact O-N 3.16Å; E117-K120 PolarHBondContact O-N 2.92Å; E117-S121 WeakPolarHBondContact O-CB 3.37Å; E117-S121 PolarHBondContact O-N 2.84Å; E117-R161 IonicContact OE1-CZ 2.67Å; E117-R161 IonicContact OE1-NH1 3.4Å; E117-R161 PolarHBondContact OE1-NH1 2.84Å; E117-R161 IonicContact OE1-NH2 3.91Å; E117-R161 PolarHBondContact OE1-NH2 2.81Å
118K97.9Very high97.4Very high61 Ų6147.4 Ų47.427%0.26524%0.243SC..Hα-helixtrans-65.1-41.9177.1-176.367.371.6161.70111.5L76 I79 E80 S114 V115 V116 S121 K122L76-K118 HydrophobicContact CD1-CB 3.52Å; L76-K118 HydrophobicContact CD1-CG 3.89Å; I79-K118 HydrophobicContact CB-CG 4.21Å; I79-K118 HydrophobicContact CG2-CG 3.56Å; E80-K118 HydrophobicContact CG-CD 3.91Å; E80-K118 VanDerWaalsContact CG-CE 3.43Å; E80-K118 HydrophobicContact CG-CG 4.24Å; E80-K118 WeakPolarHBondContact OE1-CE 3.4Å; E80-K118 IonicContact OE1-NZ 3.45Å; E80-K118 PolarHBondContact OE1-NZ 3.5Å; S114-K118 WeakPolarHBondContact O-CB 3.44Å; S114-K118 PolarHBondContact O-N 2.71Å; V115-K118 PolarHBondContact O-N 3.31Å; V116-K118 VanDerWaalsContact C-N 3.34Å; V116-K118 PolarHBondContact O-N 3.02Å; K118-S121 WeakPolarHBondContact O-CB 3.34Å; K118-S121 PolarHBondContact O-N 3.37Å; K118-K122 WeakPolarHBondContact O-CG 3.4Å; K118-K122 PolarHBondContact O-N 3.4Å
119T98.2Very high97.4Very high2 Ų247.4 Ų47.41%0.01224%0.243CC..Hα-helixtrans-58.9-49.2176.7-61.20000110.6I79 L84 V92 I94 V115 V116 S121 K122 Q123 L128I79-T119 WeakPolarHBondContact CD1-OG1 3.29Å; L84-T119 HydrophobicContact CD1-CG2 3.83Å; V92-T119 HydrophobicContact CB-CG2 4.05Å; V92-T119 HydrophobicContact CG1-CG2 3.76Å; V92-T119 HydrophobicContact CG2-CG2 4.21Å; I94-T119 HydrophobicContact CD1-CG2 4.44Å; V115-T119 VanDerWaalsContact O-CB 3.29Å; V115-T119 WeakPolarHBondContact O-CB 3.35Å; V115-T119 PolarHBondContact O-N 2.98Å; V115-T119 PolarHBondContact O-OG1 3.47Å; V116-T119 WeakPolarHBondContact O-CB 3.47Å; V116-T119 PolarHBondContact O-N 2.82Å; T119-S121 VanDerWaalsContact C-N 3.32Å; T119-S121 PolarHBondContact O-N 2.78Å; T119-K122 PolarHBondContact O-N 2.93Å; T119-K122 VanDerWaalsContact O-N 3.14Å; T119-Q123 PolarHBondContact O-N 3.17Å; T119-L128 HydrophobicContact CG2-CD1 3.68Å
120K96.8Very high97.4Very high68 Ų6846.9 Ų46.930%0.29624%0.24SC..Hα-helixtrans-61.5-38.9176.6-71.3-171.672.4-156.50112.9V116 E117 K122 Q123 P124 L128 D163 V164V116-K120 HydrophobicContact CG1-CD 4.46Å; V116-K120 WeakPolarHBondContact O-CG 3.47Å; V116-K120 PolarHBondContact O-N 3.01Å; E117-K120 PolarHBondContact O-N 2.92Å; K120-K122 VanDerWaalsContact C-N 3.29Å; K120-K122 PolarHBondContact O-N 3.42Å; K120-Q123 CarbonylContact O-C 3.49Å; K120-Q123 PolarHBondContact O-N 3.2Å; K120-P124 WeakPolarHBondContact O-CA 3.5Å; K120-P124 VanDerWaalsContact O-N 3.11Å; K120-L128 HydrophobicContact CD-CD2 4.41Å; K120-L128 HydrophobicContact CG-CD2 3.89Å; K120-D163 WeakPolarHBondContact CD-OD2 3.42Å; K120-D163 WeakPolarHBondContact CE-OD2 3.34Å; K120-D163 IonicContact NZ-OD2 3.87Å; K120-D163 PolarHBondContact NZ-OD2 2.75Å; K120-V164 HydrophobicContact CD-CG2 4.48Å
121S97Very high97.5Very high94 Ų9442 Ų4266%0.65722%0.219SC*.Hα-helixtrans-62.8-35.9175.91720000112.4E117 K118 T119E117-S121 WeakPolarHBondContact O-CB 3.37Å; E117-S121 PolarHBondContact O-N 2.84Å; K118-S121 WeakPolarHBondContact O-CB 3.34Å; K118-S121 PolarHBondContact O-N 3.37Å; T119-S121 VanDerWaalsContact C-N 3.32Å; T119-S121 PolarHBondContact O-N 2.78Å
122K96.9Very high97.5Very high63 Ų6342 Ų4227%0.27422%0.219SC..Hα-helixtrans-81.2-35.7177.8-70.1-68.5-160.8157.70112.4I79 L84 D85 K118 T119 K120I79-K122 HydrophobicContact CG2-CG 3.85Å; L84-K122 HydrophobicContact CB-CB 4.05Å; L84-K122 HydrophobicContact CD1-CB 4.42Å; D85-K122 VanDerWaalsContact CG-NZ 3.34Å; D85-K122 WeakPolarHBondContact OD1-CD 3.34Å; D85-K122 WeakPolarHBondContact OD1-CE 3.48Å; D85-K122 IonicContact OD1-NZ 3.53Å; D85-K122 PolarHBondContact OD1-NZ 3.05Å; D85-K122 IonicContact OD2-NZ 3.42Å; D85-K122 PolarHBondContact OD2-NZ 3.45Å; D85-K122 VanDerWaalsContact OD2-NZ 3.12Å; K118-K122 WeakPolarHBondContact O-CG 3.4Å; K118-K122 PolarHBondContact O-N 3.4Å; T119-K122 PolarHBondContact O-N 2.93Å; T119-K122 VanDerWaalsContact O-N 3.14Å; K120-K122 VanDerWaalsContact C-N 3.29Å; K120-K122 PolarHBondContact O-N 3.42Å
123Q96.7Very high97.5Very high11 Ų1142 Ų425%0.05122%0.218CC..  trans-129.865.9-173-64.3-62.3-14.300111.7L84 F87 P89 T119 K120 R125 A126L84-Q123 HydrophobicContact CB-CG 4.15Å; L84-Q123 HydrophobicContact CD1-CG 4.25Å; L84-Q123 PolarHBondContact O-NE2 2.88Å; F87-Q123 PolarHBondContact O-NE2 3.17Å; F87-Q123 PolarHBondContact O-OE1 3.27Å; P89-Q123 VanDerWaalsContact CD-CD 3.41Å; P89-Q123 VanDerWaalsContact CD-OE1 3.24Å; P89-Q123 HydrophobicContact CG-CG 4.31Å; T119-Q123 PolarHBondContact O-N 3.17Å; K120-Q123 CarbonylContact O-C 3.49Å; K120-Q123 PolarHBondContact O-N 3.2Å; Q123-R125 PolarHBondContact O-N 2.73Å; Q123-A126 HydrophobicContact CB-CB 4.02Å; Q123-A126 PolarHBondContact O-N 2.89Å; Q123-A126 VanDerWaalsContact O-N 3.16Å
124P96.2Very high97.5Very high106 Ų10640 Ų4069%0.68821%0.208SC*.THydrogen-bonded Turntrans-67.8-10.9-171.727.1-36.6000114.7K120K120-P124 WeakPolarHBondContact O-CA 3.5Å; K120-P124 VanDerWaalsContact O-N 3.11Å
125R95.1Very high97.6Very high217 Ų21738.3 Ų38.382%0.81920%0.196SC*.THydrogen-bonded Turntrans-101.4-11.9178.8-65.1-177.3-179.4172.30.2113.7Q123Q123-R125 PolarHBondContact O-N 2.73Å
126A96.7Very high97.5Very high19 Ų1938.5 Ų38.516%0.15720%0.198CC..SBendtrans-78.4137.7-178.900000110P89 K90 V92 Q123P89-A126 HydrophobicContact CG-CB 4.45Å; P89-A126 WeakPolarHBondContact O-CB 3.07Å; K90-A126 CarbonylContact O-C 3.55Å; K90-A126 WeakPolarHBondContact O-CA 3.13Å; V92-A126 HydrophobicContact CG2-CB 4.03Å; Q123-A126 HydrophobicContact CB-CB 4.02Å; Q123-A126 PolarHBondContact O-N 2.89Å; Q123-A126 VanDerWaalsContact O-N 3.16Å
127S96.5Very high97.5Very high52 Ų5239.7 Ų39.736%0.36421%0.209SC..EExtended strand (participates in β ladder)trans-63.6138.9161.2-62.40000108.9K90 V91 V92K90-S127 PolarHBondContact O-N 3.43Å; V91-S127 CarbonylContact C-O 3.47Å; V91-S127 WeakPolarHBondContact CA-O 3.22Å; V92-S127 PolarHBondContact N-O 2.75Å
128L97.9Very high97.6Very high5 Ų542.7 Ų42.73%0.02622%0.217CC..EExtended strand (participates in β ladder)trans-115.4123.4-178-169.163000110.4V92 I94 V116 T119 K120 V164 T165V92-L128 HydrophobicContact CB-CD1 3.81Å; V92-L128 HydrophobicContact CG1-CD1 4.08Å; V92-L128 WeakPolarHBondContact O-CD1 3.28Å; I94-L128 HydrophobicContact CD1-CD1 3.69Å; I94-L128 HydrophobicContact CD1-CD2 4.43Å; I94-L128 HydrophobicContact CD1-CG 4.41Å; I94-L128 HydrophobicContact CG1-CD1 4.22Å; V116-L128 HydrophobicContact CB-CD2 4.1Å; V116-L128 HydrophobicContact CG1-CD2 3.63Å; V116-L128 HydrophobicContact CG2-CD2 4.05Å; T119-L128 HydrophobicContact CG2-CD1 3.68Å; K120-L128 HydrophobicContact CD-CD2 4.41Å; K120-L128 HydrophobicContact CG-CD2 3.89Å; L128-V164 HydrophobicContact CB-CG1 4.39Å; L128-V164 HydrophobicContact CB-CG2 4.42Å; L128-V164 HydrophobicContact CD2-CG1 4.33Å; L128-V164 HydrophobicContact CD2-CG2 4.03Å; L128-V164 HydrophobicContact CG-CG1 4.25Å; L128-V164 WeakPolarHBondContact O-CA 3.44Å; L128-T165 PolarHBondContact O-N 3.36Å
129I98.4Very high97.6Very high0 Ų043.5 Ų43.50%023%0.227CC..EExtended strand (participates in β ladder)trans-111.5127.6175.5-56.6171000108.1V91 V92 V93 I94 M131 T165 L167 L204 E207 L208V91-I129 HydrophobicContact CG1-CD1 3.67Å; V91-I129 HydrophobicContact CG1-CG1 4.06Å; V92-I129 PolarHBondContact O-N 3.4Å; V93-I129 CarbonylContact C-O 3.6Å; V93-I129 WeakPolarHBondContact CA-O 3.48Å; V93-I129 HydrophobicContact CG1-CB 4.21Å; V93-I129 HydrophobicContact CG1-CG2 4.2Å; V93-I129 HydrophobicContact CG2-CB 4.34Å; V93-I129 HydrophobicContact CG2-CD1 4.26Å; I94-I129 PolarHBondContact N-O 3.48Å; I129-M131 HydrophobicContact CG2-CG 4.46Å; I129-T165 CarbonylContact C-O 3.58Å; I129-T165 VanDerWaalsContact CA-O 3.3Å; I129-T165 WeakPolarHBondContact CA-O 3.37Å; I129-L167 HydrophobicContact CG2-CD1 3.68Å; I129-L167 HydrophobicContact CG2-CG 3.92Å; I129-L204 HydrophobicContact CD1-CD1 4.29Å; I129-L204 HydrophobicContact CG2-CD1 4.3Å; I129-E207 HydrophobicContact CD1-CB 4.14Å; I129-E207 HydrophobicContact CD1-CG 3.48Å; I129-E207 VanDerWaalsContact CD1-CG 3.48Å; I129-E207 HydrophobicContact CG1-CG 3.9Å; I129-L208 HydrophobicContact CD1-CD2 4.23Å
130V98.6Very high97.6Very high2 Ų247.7 Ų47.71%0.01226%0.255CS..EExtended strand (participates in β ladder)trans-114126.1172.1179.40000108.4I94 I112 V116 F158 V164 T165 Y166 L167I94-V130 HydrophobicContact CB-CG2 4.45Å; I94-V130 WeakPolarHBondContact O-CA 3.47Å; I112-V130 HydrophobicContact CG2-CG1 4.07Å; V116-V130 HydrophobicContact CG2-CG2 3.56Å; V130-F158 HydrophobicContact CB-CE2 4.05Å; V130-F158 HydrophobicContact CB-CZ 4.15Å; V130-F158 HydrophobicContact CG1-CE2 3.84Å; V130-F158 HydrophobicContact CG1-CZ 4.14Å; V130-F158 HydrophobicContact CG2-CE1 4.47Å; V130-F158 HydrophobicContact CG2-CE2 4.3Å; V130-F158 HydrophobicContact CG2-CZ 3.89Å; V130-V164 HydrophobicContact CB-CG1 4.34Å; V130-V164 HydrophobicContact CG2-CG1 3.66Å; V130-T165 PolarHBondContact N-O 3.05Å; V130-Y166 HydrophobicContact CB-CD2 4.12Å; V130-Y166 HydrophobicContact CG1-CD2 4.03Å; V130-Y166 HydrophobicContact CG1-CE2 4.32Å; V130-Y166 CarbonylContact O-C 3.53Å; V130-Y166 WeakPolarHBondContact O-CA 3.45Å; V130-Y166 VanDerWaalsContact O-CD2 3.23Å; V130-Y166 WeakPolarHBondContact O-CD2 3.48Å; V130-L167 PolarHBondContact O-N 2.9Å
131M98.6Very high97.7Very high7 Ų747 Ų473%0.03425%0.254CS..EExtended strand (participates in β ladder)trans-100.2136.2176-58.2-172.875.800110.5F44 V93 I94 M95 I129 L167 L200 L204F44-M131 HydrophobicContact CE1-SD 3.92Å; F44-M131 HydrophobicContact CZ-SD 3.75Å; V93-M131 HydrophobicContact CG1-CG 4.21Å; V93-M131 HydrophobicContact CG1-SD 4.16Å; I94-M131 PolarHBondContact O-N 3.25Å; M95-M131 HydrophobicContact CB-CB 4.07Å; M95-M131 HydrophobicContact CG-CB 3.99Å; M95-M131 HydrophobicContact SD-CB 4.22Å; I129-M131 HydrophobicContact CG2-CG 4.46Å; M131-L167 WeakPolarHBondContact CA-O 3.39Å; M131-L167 HydrophobicContact CG-CB 4.37Å; M131-L200 HydrophobicContact CE-CD1 3.56Å; M131-L200 HydrophobicContact CE-CG 4.08Å; M131-L204 HydrophobicContact CE-CB 4.1Å; M131-L204 HydrophobicContact SD-CB 4.34Å; M131-L204 HydrophobicContact SD-CD1 4.15Å; M131-L204 HydrophobicContact SD-CD2 3.92Å; M131-L204 HydrophobicContact SD-CG 4.36Å
132G98.5Very high97.7Very high0 Ų051.8 Ų51.80%026%0.263CS..PPolyproline II helixtrans-67.9167.1173.700000112.7M95 N151 Y166 L167M95-G132 WeakPolarHBondContact CE-O 3.45Å; G132-N151 WeakPolarHBondContact CA-OD1 3.42Å; G132-Y166 WeakPolarHBondContact CA-OH 3.4Å; G132-L167 PolarHBondContact N-O 2.87Å
133L98.6Very high97.7Very high2 Ų252.3 Ų52.31%0.0126%0.263CS..PPolyproline II helixtrans-76.6138.4-179.9-55.5-176.8000111.3I96 H147 I150 N151 P169 W171I96-L133 WeakPolarHBondContact O-CD2 2.93Å; L133-H147 HydrophobicContact CB-CB 3.99Å; L133-H147 HydrophobicContact CD1-CB 4.31Å; L133-I150 HydrophobicContact CD1-CB 4.15Å; L133-I150 HydrophobicContact CD1-CD1 3.79Å; L133-I150 HydrophobicContact CD1-CG2 3.81Å; L133-I150 HydrophobicContact CG-CG2 4.32Å; L133-N151 PolarHBondContact N-ND2 3.01Å; L133-N151 PolarHBondContact N-OD1 2.93Å; L133-N151 PolarHBondContact O-ND2 2.67Å; L133-P169 WeakPolarHBondContact O-CG 3.44Å; L133-W171 PolarHBondContact O-NE1 2.91Å
134L98.5Very high97.8Very high9 Ų952.6 Ų52.65%0.04726%0.264CS..PPolyproline II helixtrans-72.9157173.2-76.2173.5000112I43 M95 H147 P169 F174 M186 P192 L200I43-L134 HydrophobicContact CD1-CD1 4.43Å; I43-L134 HydrophobicContact CG2-CD1 4.32Å; M95-L134 HydrophobicContact CE-CD1 4.06Å; M95-L134 HydrophobicContact CE-CG 3.86Å; L134-H147 PolarHBondContact O-ND1 3.27Å; L134-P169 HydrophobicContact CD2-CB 3.94Å; L134-P169 HydrophobicContact CD2-CG 4.41Å; L134-F174 HydrophobicContact CD2-CD2 3.96Å; L134-F174 HydrophobicContact CD2-CE1 4.24Å; L134-F174 HydrophobicContact CD2-CE2 3.46Å; L134-F174 VanDerWaalsContact CD2-CE2 3.46Å; L134-F174 HydrophobicContact CD2-CZ 3.62Å; L134-M186 HydrophobicContact CB-CE 4.06Å; L134-M186 HydrophobicContact CD1-CE 4.22Å; L134-M186 HydrophobicContact CD2-CE 4.42Å; L134-M186 HydrophobicContact CG-CE 4.49Å; L134-P192 HydrophobicContact CD1-CG 3.69Å; L134-L200 HydrophobicContact CD1-CD1 4.29Å; L134-L200 HydrophobicContact CD1-CD2 4.19Å; L134-L200 HydrophobicContact CD2-CD1 4.1Å; L134-L200 HydrophobicContact CG-CD1 4.31Å
135P98.3Very high97.8Very high0 Ų051.8 Ų51.80%026%0.257CS..PPolyproline II helixtrans-66.6154.5169.430.2-31.8000109.9R144 W171 F174 I175 I181 M186P135-R144 HydrophobicContact CB-CG 4.28Å; P135-W171 HydrophobicContact CB-CD2 3.67Å; P135-W171 HydrophobicContact CB-CE3 3.72Å; P135-W171 HydrophobicContact CB-CG 4.29Å; P135-W171 HydrophobicContact CB-CH2 3.96Å; P135-W171 HydrophobicContact CB-CZ2 3.94Å; P135-W171 HydrophobicContact CB-CZ3 3.89Å; P135-W171 HydrophobicContact CG-CD2 3.96Å; P135-W171 HydrophobicContact CG-CE3 4.42Å; P135-W171 HydrophobicContact CG-CG 4.05Å; P135-F174 HydrophobicContact CG-CB 3.73Å; P135-F174 HydrophobicContact CG-CG 4.34Å; P135-I175 HydrophobicContact CB-CD1 3.89Å; P135-I175 HydrophobicContact CB-CG1 4.14Å; P135-I175 HydrophobicContact CG-CD1 4.26Å; P135-I175 HydrophobicContact CG-CG1 4.09Å; P135-I181 HydrophobicContact CB-CD1 3.93Å; P135-I181 HydrophobicContact CG-CD1 4.09Å; P135-M186 HydrophobicContact CG-CE 4.15Å; P135-M186 WeakPolarHBondContact O-CE 3.36Å
136C97.8Very high98Very high4 Ų442.6 Ų42.63%0.02722%0.223CC..  trans-141.5164.3177.665.20000112.5N141 R143 R144 Y189 M190C136-N141 PolarHBondContact O-ND2 2.76Å; C136-R143 VanDerWaalsContact SG-CD 3.54Å; C136-R143 VanDerWaalsContact SG-CG 3.57Å; C136-R144 PolarHBondContact O-NE 3.43Å; C136-Y189 CarbonylContact C-O 3.39Å; C136-Y189 WeakPolarHBondContact CA-O 3.34Å; C136-M190 HydrophobicContact CB-SD 3.71Å
137G98.1Very high98.1Very high24 Ų2442 Ų4225%0.24722%0.217CC..SBendtrans74.7149.1-175.200000112.4T139 R144 I181 Y189G137-T139 PolarHBondContact O-N 3.22Å; G137-R144 PolarHBondContact O-NH2 3.22Å; G137-I181 WeakPolarHBondContact O-CD1 3.07Å; G137-Y189 PolarHBondContact N-O 3.42Å
138R98.3Very high98.2Very high150 Ų15045 Ų4557%0.56623%0.225SC*.SBendtrans-60.1-47.2-177.1-176.1177.4175.8176.5-2.7112.3R144 T180 I181 Y189R138-R144 PolarHBondContact O-NH2 3.44Å; R138-T180 CarbonylContact O-C 3.47Å; R138-T180 WeakPolarHBondContact O-CA 3.43Å; R138-I181 PolarHBondContact O-N 3.35Å; R138-Y189 HydrophobicContact CB-CD1 3.75Å; R138-Y189 HydrophobicContact CB-CD2 4.12Å; R138-Y189 HydrophobicContact CB-CE1 3.88Å; R138-Y189 HydrophobicContact CB-CE2 4.24Å; R138-Y189 HydrophobicContact CB-CG 3.87Å; R138-Y189 HydrophobicContact CG-CD1 4.05Å; R138-Y189 HydrophobicContact CG-CE1 3.76Å
139T98.3Very high98.2Very high79 Ų7947.9 Ų47.949%0.48524%0.239SC..SBendtrans-112.1166.6-178.455.20000110.9G137 N141 R144 T180G137-T139 PolarHBondContact O-N 3.22Å; T139-N141 PolarHBondContact O-N 3.39Å; T139-N141 PolarHBondContact O-ND2 3.11Å; T139-R144 PolarHBondContact O-NH2 3.25Å; T139-T180 HydrophobicContact CG2-CG2 4.26Å
140P98.1Very high98.2Very high90 Ų9047.9 Ų47.958%0.58424%0.239SC*.  trans-50.1135.5172.6-27.836.4000112.1
141N98.3Very high98.2Very high52 Ų5248 Ų4828%0.27824%0.239SC..  trans-157.5166.7-174.665.980000110.9C136 T139 R143 R144 T145C136-N141 PolarHBondContact O-ND2 2.76Å; T139-N141 PolarHBondContact O-N 3.39Å; T139-N141 PolarHBondContact O-ND2 3.11Å; N141-R143 VanDerWaalsContact C-N 3.31Å; N141-R143 PolarHBondContact O-N 2.98Å; N141-R143 WeakPolarHBondContact OD1-CA 3.47Å; N141-R143 WeakPolarHBondContact OD1-CB 3.46Å; N141-R143 PolarHBondContact OD1-N 2.9Å; N141-R144 WeakPolarHBondContact O-CB 3.36Å; N141-R144 PolarHBondContact O-N 2.68Å; N141-R144 VanDerWaalsContact O-N 3.16Å; N141-R144 PolarHBondContact OD1-N 3.49Å; N141-T145 PolarHBondContact O-N 3.35Å
142K97.6Very high98.2Very high195 Ų19553.1 Ų53.185%0.84826%0.261SS*.Hα-helixtrans-58.8-37.4-177-66-175.9178-177.10113.7R144 T145 K146K142-R144 VanDerWaalsContact C-N 3.34Å; K142-T145 PolarHBondContact O-N 3.03Å; K142-K146 WeakPolarHBondContact O-CB 3.36Å; K142-K146 PolarHBondContact O-N 2.95Å
143R97.2Very high98.2Very high75 Ų7554.8 Ų54.828%0.28327%0.27SS..Hα-helixtrans-69.4-35.4-179.5-169.3179.5172.1-167.91.9111.1S98 C136 N141 K146 H147S98-R143 PolarHBondContact O-NH2 2.77Å; C136-R143 VanDerWaalsContact SG-CD 3.54Å; C136-R143 VanDerWaalsContact SG-CG 3.57Å; N141-R143 VanDerWaalsContact C-N 3.31Å; N141-R143 PolarHBondContact O-N 2.98Å; N141-R143 WeakPolarHBondContact OD1-CA 3.47Å; N141-R143 WeakPolarHBondContact OD1-CB 3.46Å; N141-R143 PolarHBondContact OD1-N 2.9Å; R143-K146 WeakPolarHBondContact O-CB 3.3Å; R143-K146 PolarHBondContact O-N 3.41Å; R143-H147 PolarHBondContact NE-NE2 3.15Å; R143-H147 PolarHBondContact O-CD2 2.97Å; R143-H147 PolarHBondContact O-N 3.14Å
144R97.5Very high98.1Very high16 Ų1654.7 Ų54.76%0.0627%0.269CS..Hα-helixtrans-60.8-51171-167.6-176.8-63.2179.7-0.9111P135 C136 G137 R138 T139 N141 K142 K146 H147 E148 W171 G179P135-R144 HydrophobicContact CB-CG 4.28Å; C136-R144 PolarHBondContact O-NE 3.43Å; G137-R144 PolarHBondContact O-NH2 3.22Å; R138-R144 PolarHBondContact O-NH2 3.44Å; T139-R144 PolarHBondContact O-NH2 3.25Å; N141-R144 WeakPolarHBondContact O-CB 3.36Å; N141-R144 PolarHBondContact O-N 2.68Å; N141-R144 VanDerWaalsContact O-N 3.16Å; N141-R144 PolarHBondContact OD1-N 3.49Å; K142-R144 VanDerWaalsContact C-N 3.34Å; R144-K146 VanDerWaalsContact C-N 3.27Å; R144-K146 PolarHBondContact O-N 2.74Å; R144-H147 PolarHBondContact O-N 3.26Å; R144-H147 VanDerWaalsContact O-N 3.16Å; R144-E148 PolarHBondContact O-N 3.39Å; R144-W171 HydrophobicContact CG-CE3 4.35Å; R144-W171 HydrophobicContact CG-CH2 3.66Å; R144-W171 HydrophobicContact CG-CZ3 3.34Å; R144-W171 VanDerWaalsContact O-CH2 3.26Å; R144-W171 WeakPolarHBondContact O-CH2 3.43Å; R144-G179 PolarHBondContact NH1-O 3.26Å
145T97.9Very high98.1Very high89 Ų8956.8 Ų56.855%0.54628%0.283SS..Hα-helixtrans-57.5-40.2175.2-54.20000112.5N141 K142 E148 Q149N141-T145 PolarHBondContact O-N 3.35Å; K142-T145 PolarHBondContact O-N 3.03Å; T145-E148 PolarHBondContact O-N 2.76Å; T145-Q149 WeakPolarHBondContact O-CB 3.43Å; T145-Q149 PolarHBondContact O-N 2.86Å
146K98.3Very high98Very high25 Ų2561.9 Ų61.911%0.10931%0.307CS..Hα-helixtrans-61.3-47.3175.3177.1173.5173.6176.60112.5N100 V101 D103 E105 K142 R143 R144 E148 Q149 I150N100-K146 PolarHBondContact O-NZ 3.17Å; V101-K146 PolarHBondContact O-NZ 2.89Å; D103-K146 WeakPolarHBondContact O-CE 3.39Å; D103-K146 PolarHBondContact O-NZ 2.85Å; E105-K146 HydrophobicContact CG-CG 3.98Å; K142-K146 WeakPolarHBondContact O-CB 3.36Å; K142-K146 PolarHBondContact O-N 2.95Å; R143-K146 WeakPolarHBondContact O-CB 3.3Å; R143-K146 PolarHBondContact O-N 3.41Å; R144-K146 VanDerWaalsContact C-N 3.27Å; R144-K146 PolarHBondContact O-N 2.74Å; K146-E148 VanDerWaalsContact C-N 3.33Å; K146-E148 PolarHBondContact O-N 3.49Å; K146-Q149 PolarHBondContact O-N 2.62Å; K146-I150 HydrophobicContact CG-CD1 3.86Å; K146-I150 WeakPolarHBondContact O-CD1 3.23Å; K146-I150 VanDerWaalsContact O-CG1 3.28Å; K146-I150 WeakPolarHBondContact O-CG1 3.44Å; K146-I150 PolarHBondContact O-N 2.89Å
147H98.5Very high98Very high5 Ų563.2 Ų63.22%0.02332%0.318CS..Hα-helixtrans-61.6-42.1177.6-73.4-162.8000111.6L133 L134 R143 R144 I150 N151 W171L133-H147 HydrophobicContact CB-CB 3.99Å; L133-H147 HydrophobicContact CD1-CB 4.31Å; L134-H147 PolarHBondContact O-ND1 3.27Å; R143-H147 PolarHBondContact NE-NE2 3.15Å; R143-H147 PolarHBondContact O-CD2 2.97Å; R143-H147 PolarHBondContact O-N 3.14Å; R144-H147 PolarHBondContact O-N 3.26Å; R144-H147 VanDerWaalsContact O-N 3.16Å; H147-I150 PolarHBondContact O-N 3.12Å; H147-N151 VanDerWaalsContact O-CG 3.3Å; H147-N151 PolarHBondContact O-N 3.05Å; H147-N151 PolarHBondContact O-OD1 3.34Å; H147-W171 HydrophobicContact CB-CH2 3.82Å; H147-W171 HydrophobicContact CB-CZ2 3.75Å
148E98Very high97.9Very high115 Ų11562.7 Ų62.754%0.53731%0.309SS..Hα-helixtrans-60.7-46.8176.7-177.2176.6-14300111.5R144 T145 K146 I150 N151 K152 W171R144-E148 PolarHBondContact O-N 3.39Å; T145-E148 PolarHBondContact O-N 2.76Å; K146-E148 VanDerWaalsContact C-N 3.33Å; K146-E148 PolarHBondContact O-N 3.49Å; E148-I150 PolarHBondContact O-N 2.85Å; E148-N151 PolarHBondContact O-N 3.28Å; E148-K152 PolarHBondContact O-N 3.15Å; E148-W171 HydrophobicContact CB-CH2 3.82Å; E148-W171 HydrophobicContact CB-CZ3 3.88Å
149Q98.5Very high97.7Very high67 Ų6760.7 Ų60.731%0.31331%0.313SS..Hα-helixtrans-66-38.1178.1-178.559.130.500112.2E105 T145 K146 K152 L153E105-Q149 HydrophobicContact CB-CG 4.17Å; E105-Q149 HydrophobicContact CG-CB 3.94Å; E105-Q149 HydrophobicContact CG-CG 3.77Å; T145-Q149 WeakPolarHBondContact O-CB 3.43Å; T145-Q149 PolarHBondContact O-N 2.86Å; K146-Q149 PolarHBondContact O-N 2.62Å; Q149-K152 PolarHBondContact O-N 3.4Å; Q149-L153 HydrophobicContact CG-CD1 4.45Å; Q149-L153 WeakPolarHBondContact O-CG 3.44Å; Q149-L153 PolarHBondContact O-N 3.04Å
150I98.6Very high97.1Very high0 Ų062.2 Ų62.20%033%0.326CS..Hα-helixtrans-59.7-48.2171.9-71.6161.7000110.3E105 V108 V109 I112 L133 K146 H147 E148 K152 L153 L154E105-I150 HydrophobicContact CB-CG1 3.97Å; E105-I150 HydrophobicContact CG-CG1 4.11Å; V108-I150 HydrophobicContact CB-CD1 3.92Å; V108-I150 HydrophobicContact CB-CG1 4.32Å; V108-I150 HydrophobicContact CG1-CD1 3.93Å; V108-I150 HydrophobicContact CG2-CD1 4.03Å; V109-I150 HydrophobicContact CG2-CG2 4.13Å; I112-I150 HydrophobicContact CD1-CG2 4.36Å; L133-I150 HydrophobicContact CD1-CB 4.15Å; L133-I150 HydrophobicContact CD1-CD1 3.79Å; L133-I150 HydrophobicContact CD1-CG2 3.81Å; L133-I150 HydrophobicContact CG-CG2 4.32Å; K146-I150 HydrophobicContact CG-CD1 3.86Å; K146-I150 WeakPolarHBondContact O-CD1 3.23Å; K146-I150 VanDerWaalsContact O-CG1 3.28Å; K146-I150 WeakPolarHBondContact O-CG1 3.44Å; K146-I150 PolarHBondContact O-N 2.89Å; H147-I150 PolarHBondContact O-N 3.12Å; E148-I150 PolarHBondContact O-N 2.85Å; I150-K152 VanDerWaalsContact C-N 3.29Å; I150-K152 PolarHBondContact O-N 2.64Å; I150-L153 PolarHBondContact O-N 3.23Å; I150-L154 HydrophobicContact CG2-CD1 3.8Å; I150-L154 HydrophobicContact CG2-CG 4.21Å; I150-L154 WeakPolarHBondContact O-CG 3.38Å; I150-L154 PolarHBondContact O-N 3Å
151N98.6Very high96.8Very high5 Ų560.7 Ų60.73%0.02731%0.309CS..Hα-helixtrans-62-37.4179.7-71.3-5.7000112.4G132 L133 H147 E148 L154 T155 Y166 N168G132-N151 WeakPolarHBondContact CA-OD1 3.42Å; L133-N151 PolarHBondContact N-ND2 3.01Å; L133-N151 PolarHBondContact N-OD1 2.93Å; L133-N151 PolarHBondContact O-ND2 2.67Å; H147-N151 VanDerWaalsContact O-CG 3.3Å; H147-N151 PolarHBondContact O-N 3.05Å; H147-N151 PolarHBondContact O-OD1 3.34Å; E148-N151 PolarHBondContact O-N 3.28Å; N151-L154 PolarHBondContact O-N 2.79Å; N151-T155 WeakPolarHBondContact O-CB 3.46Å; N151-T155 PolarHBondContact O-N 2.74Å; N151-T155 PolarHBondContact O-OG1 3.49Å; N151-Y166 WeakPolarHBondContact CA-OH 3.47Å; N151-Y166 PolarHBondContact O-OH 3.42Å; N151-N168 PolarHBondContact ND2-OD1 2.63Å
152K98.2Very high96.3Very high114 Ų11464.5 Ų64.550%0.49634%0.336SS..Hα-helixtrans-61.3-50.2173.5-177.8-178.8174.9-176.90111.5E148 Q149 I150 L154 T155 E156E148-K152 PolarHBondContact O-N 3.15Å; Q149-K152 PolarHBondContact O-N 3.4Å; I150-K152 VanDerWaalsContact C-N 3.29Å; I150-K152 PolarHBondContact O-N 2.64Å; K152-L154 VanDerWaalsContact C-N 3.32Å; K152-L154 PolarHBondContact O-N 2.94Å; K152-T155 WeakPolarHBondContact O-CB 3.44Å; K152-T155 PolarHBondContact O-N 3.34Å; K152-E156 VanDerWaalsContact CE-OE1 3.31Å; K152-E156 WeakPolarHBondContact CE-OE1 3.21Å; K152-E156 WeakPolarHBondContact O-CG 3.38Å; K152-E156 PolarHBondContact O-N 2.91Å
153L98.1Very high96.1Very high34 Ų3458.2 Ų58.218%0.17831%0.312CS..Hα-helixtrans-63.1-37.2178.1-69.6172.9000112.3E105 E106 V109 Q149 I150 E156 A157E105-L153 HydrophobicContact CB-CD1 4.08Å; E106-L153 HydrophobicContact CG-CD1 4.28Å; V109-L153 HydrophobicContact CG1-CB 4.44Å; V109-L153 HydrophobicContact CG2-CB 3.64Å; V109-L153 HydrophobicContact CG2-CD1 4.01Å; V109-L153 HydrophobicContact CG2-CG 4.5Å; Q149-L153 HydrophobicContact CG-CD1 4.45Å; Q149-L153 WeakPolarHBondContact O-CG 3.44Å; Q149-L153 PolarHBondContact O-N 3.04Å; I150-L153 PolarHBondContact O-N 3.23Å; L153-E156 PolarHBondContact O-N 3.48Å; L153-A157 WeakPolarHBondContact O-CB 3.39Å; L153-A157 PolarHBondContact O-N 2.91Å
154L98.1Very high96.1Very high0 Ų055 Ų550%030%0.3CS..Hα-helixtrans-66.5-40.4173.7-68.5172.3000111.6V109 I112 I150 N151 K152 E156 A157 F158 Y166V109-L154 HydrophobicContact CB-CD2 4.47Å; V109-L154 HydrophobicContact CG1-CD2 4.08Å; V109-L154 HydrophobicContact CG2-CD2 4.26Å; V109-L154 HydrophobicContact CG2-CG 4.27Å; I112-L154 HydrophobicContact CB-CD2 4.2Å; I112-L154 HydrophobicContact CD1-CD1 3.81Å; I112-L154 HydrophobicContact CD1-CD2 4.13Å; I112-L154 HydrophobicContact CG2-CD2 3.94Å; I150-L154 HydrophobicContact CG2-CD1 3.8Å; I150-L154 HydrophobicContact CG2-CG 4.21Å; I150-L154 WeakPolarHBondContact O-CG 3.38Å; I150-L154 PolarHBondContact O-N 3Å; N151-L154 PolarHBondContact O-N 2.79Å; K152-L154 VanDerWaalsContact C-N 3.32Å; K152-L154 PolarHBondContact O-N 2.94Å; L154-E156 VanDerWaalsContact C-N 3.33Å; L154-E156 PolarHBondContact O-N 3.3Å; L154-A157 PolarHBondContact O-N 3.15Å; L154-F158 HydrophobicContact CB-CD2 4.19Å; L154-F158 HydrophobicContact CB-CE2 4.2Å; L154-F158 HydrophobicContact CD2-CE2 3.84Å; L154-F158 WeakPolarHBondContact O-CB 3.45Å; L154-F158 WeakPolarHBondContact O-CD2 3.44Å; L154-F158 PolarHBondContact O-N 3.02Å; L154-Y166 HydrophobicContact CB-CD2 4.44Å; L154-Y166 HydrophobicContact CB-CE1 4.25Å; L154-Y166 HydrophobicContact CB-CE2 3.78Å; L154-Y166 HydrophobicContact CD1-CE2 4Å
155T97.6Very high96.1Very high53 Ų5356.5 Ų56.533%0.32531%0.312SS..Hα-helixtrans-57.7-48.6174.8-550000110.4N151 K152 F158 T159 Y166N151-T155 WeakPolarHBondContact O-CB 3.46Å; N151-T155 PolarHBondContact O-N 2.74Å; N151-T155 PolarHBondContact O-OG1 3.49Å; K152-T155 WeakPolarHBondContact O-CB 3.44Å; K152-T155 PolarHBondContact O-N 3.34Å; T155-F158 PolarHBondContact O-N 3.12Å; T155-T159 WeakPolarHBondContact O-CB 3.48Å; T155-T159 PolarHBondContact O-N 2.95Å; T155-T159 PolarHBondContact O-OG1 3.46Å; T155-Y166 WeakPolarHBondContact OG1-CE1 3.38Å
156E96.8Very high96.1Very high108 Ų10854.1 Ų54.151%0.50529%0.293SS..Hα-helixtrans-61.1-44.9176.3-68.6171.9-165.900111.6K152 L153 L154 F158K152-E156 VanDerWaalsContact CE-OE1 3.31Å; K152-E156 WeakPolarHBondContact CE-OE1 3.21Å; K152-E156 WeakPolarHBondContact O-CG 3.38Å; K152-E156 PolarHBondContact O-N 2.91Å; L153-E156 PolarHBondContact O-N 3.48Å; L154-E156 VanDerWaalsContact C-N 3.33Å; L154-E156 PolarHBondContact O-N 3.3Å; E156-F158 PolarHBondContact O-N 3.4Å
157A96.6Very high96Very high32 Ų3254.3 Ų54.326%0.26430%0.295SS..Hα-helixtrans-64.4-40.5-179.700000113.1L113 L153 L154L113-A157 HydrophobicContact CD2-CB 4.37Å; L153-A157 WeakPolarHBondContact O-CB 3.39Å; L153-A157 PolarHBondContact O-N 2.91Å; L154-A157 PolarHBondContact O-N 3.15Å
158F96.7Very high96Very high12 Ų1258 Ų585%0.05332%0.315CS..Hα-helixtrans-86.7-15.6-177.3-67.3-59.1000114.2L113 V116 V130 L154 T155 E156 C160 R161 V164 Y166L113-F158 HydrophobicContact CD2-CE1 3.97Å; L113-F158 HydrophobicContact CD2-CZ 3.9Å; V116-F158 HydrophobicContact CG2-CE1 4.38Å; V116-F158 HydrophobicContact CG2-CZ 4.09Å; V130-F158 HydrophobicContact CB-CE2 4.05Å; V130-F158 HydrophobicContact CB-CZ 4.15Å; V130-F158 HydrophobicContact CG1-CE2 3.84Å; V130-F158 HydrophobicContact CG1-CZ 4.14Å; V130-F158 HydrophobicContact CG2-CE1 4.47Å; V130-F158 HydrophobicContact CG2-CE2 4.3Å; V130-F158 HydrophobicContact CG2-CZ 3.89Å; L154-F158 HydrophobicContact CB-CD2 4.19Å; L154-F158 HydrophobicContact CB-CE2 4.2Å; L154-F158 HydrophobicContact CD2-CE2 3.84Å; L154-F158 WeakPolarHBondContact O-CB 3.45Å; L154-F158 WeakPolarHBondContact O-CD2 3.44Å; L154-F158 PolarHBondContact O-N 3.02Å; T155-F158 PolarHBondContact O-N 3.12Å; E156-F158 PolarHBondContact O-N 3.4Å; F158-C160 PolarHBondContact O-N 3.05Å; F158-R161 HydrophobicContact CD1-CB 4.2Å; F158-R161 PolarHBondContact O-N 2.96Å; F158-V164 HydrophobicContact CD1-CB 3.93Å; F158-V164 HydrophobicContact CD1-CG1 3.89Å; F158-V164 HydrophobicContact CE1-CB 4.09Å; F158-V164 HydrophobicContact CE1-CG1 3.75Å; F158-V164 HydrophobicContact CE1-CG2 4.34Å; F158-V164 HydrophobicContact CZ-CG1 4.37Å; F158-Y166 HydrophobicContact CB-CG 4.29Å; F158-Y166 HydrophobicContact CD2-CD1 4.42Å; F158-Y166 AromaticContact CD2-CD2 3.59Å; F158-Y166 HydrophobicContact CD2-CD2 3.59Å; F158-Y166 HydrophobicContact CD2-CE2 4.37Å; F158-Y166 AromaticContact CD2-CG 3.62Å; F158-Y166 HydrophobicContact CD2-CG 3.62Å; F158-Y166 AromaticContact CE2-CD2 3.9Å; F158-Y166 HydrophobicContact CE2-CD2 3.9Å; F158-Y166 HydrophobicContact CE2-CG 4.39Å; F158-Y166 HydrophobicContact CG-CG 4.31Å
159T93.5Very high95.9Very high109 Ų10953.3 Ų53.367%0.66929%0.294SS*.Hα-helixtrans-55.7-33.9172-63.50000112T155T155-T159 WeakPolarHBondContact O-CB 3.48Å; T155-T159 PolarHBondContact O-N 2.95Å; T155-T159 PolarHBondContact O-OG1 3.46Å
160C87.4Confident95.7Very high110 Ų11054.4 Ų54.474%0.74330%0.302SS*.THydrogen-bonded Turntrans-95.912.4179.2-63.80000113.8F158F158-C160 PolarHBondContact O-N 3.05Å
161R90.9Very high95.7Very high59 Ų5955.8 Ų55.822%0.22331%0.307CS..  trans-129.677.1-174.2-73.2-73.5-61.9-103.7-8.9111E117 F158 D163 V164E117-R161 IonicContact OE1-CZ 2.67Å; E117-R161 IonicContact OE1-NH1 3.4Å; E117-R161 PolarHBondContact OE1-NH1 2.84Å; E117-R161 IonicContact OE1-NH2 3.91Å; E117-R161 PolarHBondContact OE1-NH2 2.81Å; F158-R161 HydrophobicContact CD1-CB 4.2Å; F158-R161 PolarHBondContact O-N 2.96Å; R161-D163 WeakPolarHBondContact CA-OD1 3.37Å; R161-D163 WeakPolarHBondContact CD-OD1 3.44Å; R161-D163 IonicContact CZ-OD1 2.74Å; R161-D163 IonicContact CZ-OD2 2.62Å; R161-D163 IonicContact NE-OD1 3.16Å; R161-D163 PolarHBondContact NE-OD1 3.29Å; R161-D163 IonicContact NE-OD2 2.86Å; R161-D163 PolarHBondContact NE-OD2 3.09Å; R161-D163 VanDerWaalsContact NE-OD2 3.15Å; R161-D163 IonicContact NH2-OD2 2.89Å; R161-D163 PolarHBondContact NH2-OD2 2.85Å; R161-D163 PolarHBondContact O-N 3.16Å; R161-V164 PolarHBondContact O-N 3.16Å; R161-V164 VanDerWaalsContact O-N 3.12Å
162P88.1Confident95.5Very high132 Ų13262 Ų6286%0.85734%0.34SS*.THydrogen-bonded Turntrans-66.3-9.9-178.129.3-36.5000113.7V164P162-V164 VanDerWaalsContact C-N 3.28Å
163D92.3Very high95.4Very high62 Ų6260 Ų6033%0.33234%0.336SS..THydrogen-bonded Turntrans-78.6-6.217560.4-67.3000114.1K120 R161K120-D163 WeakPolarHBondContact CD-OD2 3.42Å; K120-D163 WeakPolarHBondContact CE-OD2 3.34Å; K120-D163 IonicContact NZ-OD2 3.87Å; K120-D163 PolarHBondContact NZ-OD2 2.75Å; R161-D163 WeakPolarHBondContact CA-OD1 3.37Å; R161-D163 WeakPolarHBondContact CD-OD1 3.44Å; R161-D163 IonicContact CZ-OD1 2.74Å; R161-D163 IonicContact CZ-OD2 2.62Å; R161-D163 IonicContact NE-OD1 3.16Å; R161-D163 PolarHBondContact NE-OD1 3.29Å; R161-D163 IonicContact NE-OD2 2.86Å; R161-D163 PolarHBondContact NE-OD2 3.09Å; R161-D163 VanDerWaalsContact NE-OD2 3.15Å; R161-D163 IonicContact NH2-OD2 2.89Å; R161-D163 PolarHBondContact NH2-OD2 2.85Å; R161-D163 PolarHBondContact O-N 3.16Å
164V97.1Very high95.4Very high8 Ų858.7 Ų58.75%0.04833%0.328CS..EExtended strand (participates in β ladder)trans-132.4124.5179.8-1760000109.4V116 K120 L128 V130 F158 R161 P162V116-V164 HydrophobicContact CG1-CG2 4.05Å; K120-V164 HydrophobicContact CD-CG2 4.48Å; L128-V164 HydrophobicContact CB-CG1 4.39Å; L128-V164 HydrophobicContact CB-CG2 4.42Å; L128-V164 HydrophobicContact CD2-CG1 4.33Å; L128-V164 HydrophobicContact CD2-CG2 4.03Å; L128-V164 HydrophobicContact CG-CG1 4.25Å; L128-V164 WeakPolarHBondContact O-CA 3.44Å; V130-V164 HydrophobicContact CB-CG1 4.34Å; V130-V164 HydrophobicContact CG2-CG1 3.66Å; F158-V164 HydrophobicContact CD1-CB 3.93Å; F158-V164 HydrophobicContact CD1-CG1 3.89Å; F158-V164 HydrophobicContact CE1-CB 4.09Å; F158-V164 HydrophobicContact CE1-CG1 3.75Å; F158-V164 HydrophobicContact CE1-CG2 4.34Å; F158-V164 HydrophobicContact CZ-CG1 4.37Å; R161-V164 PolarHBondContact O-N 3.16Å; R161-V164 VanDerWaalsContact O-N 3.12Å; P162-V164 VanDerWaalsContact C-N 3.28Å
165T97.5Very high95.4Very high48 Ų4860.5 Ų60.529%0.29434%0.337SS..EExtended strand (participates in β ladder)trans-80.8121.4170-56.70000109L128 I129 V130 L167 E207L128-T165 PolarHBondContact O-N 3.36Å; I129-T165 CarbonylContact C-O 3.58Å; I129-T165 VanDerWaalsContact CA-O 3.3Å; I129-T165 WeakPolarHBondContact CA-O 3.37Å; V130-T165 PolarHBondContact N-O 3.05Å; T165-L167 HydrophobicContact CG2-CD2 3.94Å; T165-L167 HydrophobicContact CG2-CG 4.39Å; T165-E207 WeakPolarHBondContact CB-OE1 3.49Å; T165-E207 HydrophobicContact CG2-CG 3.89Å; T165-E207 WeakPolarHBondContact CG2-OE1 3.47Å; T165-E207 PolarHBondContact OG1-OE1 3.02Å
166Y98.1Very high95.4Very high38 Ų3862.3 Ų62.315%0.14934%0.342CS..EExtended strand (participates in β ladder)trans-103.2121.6172.8178.6-113.9000111V130 G132 N151 L154 T155 F158 N168V130-Y166 HydrophobicContact CB-CD2 4.12Å; V130-Y166 HydrophobicContact CG1-CD2 4.03Å; V130-Y166 HydrophobicContact CG1-CE2 4.32Å; V130-Y166 CarbonylContact O-C 3.53Å; V130-Y166 WeakPolarHBondContact O-CA 3.45Å; V130-Y166 VanDerWaalsContact O-CD2 3.23Å; V130-Y166 WeakPolarHBondContact O-CD2 3.48Å; G132-Y166 WeakPolarHBondContact CA-OH 3.4Å; N151-Y166 WeakPolarHBondContact CA-OH 3.47Å; N151-Y166 PolarHBondContact O-OH 3.42Å; L154-Y166 HydrophobicContact CB-CD2 4.44Å; L154-Y166 HydrophobicContact CB-CE1 4.25Å; L154-Y166 HydrophobicContact CB-CE2 3.78Å; L154-Y166 HydrophobicContact CD1-CE2 4Å; T155-Y166 WeakPolarHBondContact OG1-CE1 3.38Å; F158-Y166 HydrophobicContact CB-CG 4.29Å; F158-Y166 HydrophobicContact CD2-CD1 4.42Å; F158-Y166 AromaticContact CD2-CD2 3.59Å; F158-Y166 HydrophobicContact CD2-CD2 3.59Å; F158-Y166 HydrophobicContact CD2-CE2 4.37Å; F158-Y166 AromaticContact CD2-CG 3.62Å; F158-Y166 HydrophobicContact CD2-CG 3.62Å; F158-Y166 AromaticContact CE2-CD2 3.9Å; F158-Y166 HydrophobicContact CE2-CD2 3.9Å; F158-Y166 HydrophobicContact CE2-CG 4.39Å; F158-Y166 HydrophobicContact CG-CG 4.31Å; Y166-N168 HydrophobicContact CD1-CB 4.37Å; Y166-N168 HydrophobicContact CE1-CB 3.67Å
167L97.9Very high95.4Very high29 Ų2967.1 Ų67.115%0.15237%0.365CS..EExtended strand (participates in β ladder)trans-103.9100.5175.8-58.3-178.5000109.1I129 V130 M131 G132 T165 P169 L204 E207I129-L167 HydrophobicContact CG2-CD1 3.68Å; I129-L167 HydrophobicContact CG2-CG 3.92Å; V130-L167 PolarHBondContact O-N 2.9Å; M131-L167 WeakPolarHBondContact CA-O 3.39Å; M131-L167 HydrophobicContact CG-CB 4.37Å; G132-L167 PolarHBondContact N-O 2.87Å; T165-L167 HydrophobicContact CG2-CD2 3.94Å; T165-L167 HydrophobicContact CG2-CG 4.39Å; L167-P169 WeakPolarHBondContact O-CD 3.42Å; L167-L204 HydrophobicContact CD1-CB 4.33Å; L167-L204 HydrophobicContact CD1-CD1 4.31Å; L167-E207 HydrophobicContact CD1-CB 4.27Å
168N97.2Very high95.4Very high84 Ų8471 Ų7145%0.44938%0.381SS..  trans-78.2118.5172.4-167.512.5000109.1N151 Y166 D170N151-N168 PolarHBondContact ND2-OD1 2.63Å; Y166-N168 HydrophobicContact CD1-CB 4.37Å; Y166-N168 HydrophobicContact CE1-CB 3.67Å; N168-D170 PolarHBondContact O-N 3.22Å
169P95.8Very high95.5Very high16 Ų1671.2 Ų71.210%0.10439%0.387CS..  trans-63.1135.1178.725.5-33.9000110.5L133 L134 L167 W171L133-P169 WeakPolarHBondContact O-CG 3.44Å; L134-P169 HydrophobicContact CD2-CB 3.94Å; L134-P169 HydrophobicContact CD2-CG 4.41Å; L167-P169 WeakPolarHBondContact O-CD 3.42Å; P169-W171 VanDerWaalsContact O-CD1 3.25Å; P169-W171 PolarHBondContact O-N 3.35Å
170D95.5Very high95.7Very high89 Ų8967 Ų6748%0.47636%0.361SS..  trans-73.7107171.2-178.20.3000109.5N168 D172 N173N168-D170 PolarHBondContact O-N 3.22Å; D170-D172 VanDerWaalsContact C-N 3.27Å; D170-D172 PolarHBondContact O-N 3.19Å; D170-D172 WeakPolarHBondContact OD1-CB 3.47Å; D170-D172 PolarHBondContact OD1-N 3.49Å; D170-N173 WeakPolarHBondContact O-CB 3.32Å; D170-N173 PolarHBondContact O-N 3.47Å; D170-N173 PolarHBondContact OD2-ND2 3.01Å
171W97.2Very high96.2Very high30 Ų3061.9 Ų61.911%0.11433%0.326CS..G310 helixtrans-70.9-21.3-176.8-81.228.2000113.3L133 P135 R144 H147 E148 P169 N173 F174 I175L133-W171 PolarHBondContact O-NE1 2.91Å; P135-W171 HydrophobicContact CB-CD2 3.67Å; P135-W171 HydrophobicContact CB-CE3 3.72Å; P135-W171 HydrophobicContact CB-CG 4.29Å; P135-W171 HydrophobicContact CB-CH2 3.96Å; P135-W171 HydrophobicContact CB-CZ2 3.94Å; P135-W171 HydrophobicContact CB-CZ3 3.89Å; P135-W171 HydrophobicContact CG-CD2 3.96Å; P135-W171 HydrophobicContact CG-CE3 4.42Å; P135-W171 HydrophobicContact CG-CG 4.05Å; R144-W171 HydrophobicContact CG-CE3 4.35Å; R144-W171 HydrophobicContact CG-CH2 3.66Å; R144-W171 HydrophobicContact CG-CZ3 3.34Å; R144-W171 VanDerWaalsContact O-CH2 3.26Å; R144-W171 WeakPolarHBondContact O-CH2 3.43Å; H147-W171 HydrophobicContact CB-CH2 3.82Å; H147-W171 HydrophobicContact CB-CZ2 3.75Å; E148-W171 HydrophobicContact CB-CH2 3.82Å; E148-W171 HydrophobicContact CB-CZ3 3.88Å; P169-W171 VanDerWaalsContact O-CD1 3.25Å; P169-W171 PolarHBondContact O-N 3.35Å; W171-N173 PolarHBondContact O-N 2.68Å; W171-F174 PolarHBondContact O-N 3.17Å; W171-I175 HydrophobicContact CB-CD1 4.21Å; W171-I175 HydrophobicContact CD2-CD1 4.38Å; W171-I175 HydrophobicContact CE3-CD1 3.71Å; W171-I175 HydrophobicContact CZ3-CD1 4.45Å; W171-I175 PolarHBondContact O-N 2.99Å
172D96Very high96.6Very high134 Ų13460.2 Ų60.272%0.71732%0.323SS*.G310 helixtrans-67.1-21.6177.6-69.8-15.2000111.2D170 F174D170-D172 VanDerWaalsContact C-N 3.27Å; D170-D172 PolarHBondContact O-N 3.19Å; D170-D172 WeakPolarHBondContact OD1-CB 3.47Å; D170-D172 PolarHBondContact OD1-N 3.49Å; D172-F174 PolarHBondContact O-N 2.73Å
173N95.8Very high97Very high74 Ų7459 Ų5940%0.39631%0.306SS..G310 helixtrans-71-16.1171.5-70.7-39.7000113.6D170 W171 K199D170-N173 WeakPolarHBondContact O-CB 3.32Å; D170-N173 PolarHBondContact O-N 3.47Å; D170-N173 PolarHBondContact OD2-ND2 3.01Å; W171-N173 PolarHBondContact O-N 2.68Å; N173-K199 HydrophobicContact CB-CB 4.43Å; N173-K199 HydrophobicContact CB-CD 4.18Å; N173-K199 HydrophobicContact CB-CG 4.44Å; N173-K199 WeakPolarHBondContact O-CD 3.47Å; N173-K199 WeakPolarHBondContact O-CE 3.32Å; N173-K199 PolarHBondContact O-NZ 2.88Å
174F97.7Very high97.3Very high5 Ų565 Ų652%0.02232%0.324CS..THydrogen-bonded Turntrans-117.3-25.1-176.9-62.7-83.7000113.6L134 P135 W171 D172 D185 M186 G196 K199 L200L134-F174 HydrophobicContact CD2-CD2 3.96Å; L134-F174 HydrophobicContact CD2-CE1 4.24Å; L134-F174 HydrophobicContact CD2-CE2 3.46Å; L134-F174 VanDerWaalsContact CD2-CE2 3.46Å; L134-F174 HydrophobicContact CD2-CZ 3.62Å; P135-F174 HydrophobicContact CG-CB 3.73Å; P135-F174 HydrophobicContact CG-CG 4.34Å; W171-F174 PolarHBondContact O-N 3.17Å; D172-F174 PolarHBondContact O-N 2.73Å; F174-D185 HydrophobicContact CD1-CB 4.46Å; F174-M186 HydrophobicContact CB-CE 4.14Å; F174-M186 HydrophobicContact CD1-CE 3.46Å; F174-M186 VanDerWaalsContact CD1-CE 3.46Å; F174-M186 HydrophobicContact CE1-CE 4.01Å; F174-M186 HydrophobicContact CG-CE 3.88Å; F174-G196 WeakPolarHBondContact CE1-O 3.42Å; F174-K199 HydrophobicContact CE1-CB 4.34Å; F174-K199 HydrophobicContact CE1-CD 4.43Å; F174-K199 HydrophobicContact CE2-CB 4.42Å; F174-K199 HydrophobicContact CZ-CB 3.88Å; F174-L200 HydrophobicContact CZ-CB 4.32Å
175I97.8Very high97.3Very high38 Ų3865.3 Ų65.320%0.19533%0.326CS..BIsolated β-bridgetrans-102.6121.2-176.9-60.3178.2000109.4P135 W171 I181P135-I175 HydrophobicContact CB-CD1 3.89Å; P135-I175 HydrophobicContact CB-CG1 4.14Å; P135-I175 HydrophobicContact CG-CD1 4.26Å; P135-I175 HydrophobicContact CG-CG1 4.09Å; W171-I175 HydrophobicContact CB-CD1 4.21Å; W171-I175 HydrophobicContact CD2-CD1 4.38Å; W171-I175 HydrophobicContact CE3-CD1 3.71Å; W171-I175 HydrophobicContact CZ3-CD1 4.45Å; W171-I175 PolarHBondContact O-N 2.99Å; I175-I181 HydrophobicContact CG1-CG1 4.26Å
176Q97.4Very high97.4Very high91 Ų9163 Ų6343%0.42531%0.311SS..  trans-71.3164.4174.9-64.9174.489.600111.2D178 G179 T180Q176-D178 WeakPolarHBondContact CB-OD1 3.16Å; Q176-D178 PolarHBondContact O-N 3.35Å; Q176-D178 VanDerWaalsContact O-N 3.08Å; Q176-G179 WeakPolarHBondContact O-CA 3.43Å; Q176-G179 PolarHBondContact O-N 3.44Å; Q176-T180 VanDerWaalsContact CB-O 3.31Å; Q176-T180 WeakPolarHBondContact CB-O 3.44Å; Q176-T180 WeakPolarHBondContact CG-O 3.41Å; Q176-T180 PolarHBondContact N-O 3.35Å; Q176-T180 PolarHBondContact NE2-O 3Å; Q176-T180 PolarHBondContact NE2-OG1 2.76Å
177Q96.6Very high97.4Very high209 Ų20966.4 Ų66.498%0.97733%0.327SS*.THydrogen-bonded Turntrans-57.2-26.7179.3-66.8179.6-400113.9G179Q177-G179 PolarHBondContact O-N 2.7Å
178D97.1Very high97.4Very high113 Ų11368.3 Ų68.360%0.60434%0.338SS*.THydrogen-bonded Turntrans-82.44.6175.373.2-10.3000113.7Q176 T180Q176-D178 WeakPolarHBondContact CB-OD1 3.16Å; Q176-D178 PolarHBondContact O-N 3.35Å; Q176-D178 VanDerWaalsContact O-N 3.08Å; D178-T180 VanDerWaalsContact C-N 3.32Å; D178-T180 VanDerWaalsContact CG-OG1 3.3Å; D178-T180 VanDerWaalsContact OD1-CB 3.26Å; D178-T180 WeakPolarHBondContact OD1-CB 3.41Å; D178-T180 WeakPolarHBondContact OD1-CG2 3.31Å; D178-T180 PolarHBondContact OD1-N 2.85Å; D178-T180 PolarHBondContact OD1-OG1 3.46Å; D178-T180 WeakPolarHBondContact OD2-CG2 3.38Å; D178-T180 PolarHBondContact OD2-OG1 2.8Å
179G97.7Very high97.4Very high17 Ų1767.4 Ų67.418%0.17533%0.328CS..SBendtrans80.94.7-177.200000114.3R144 Q176 Q177R144-G179 PolarHBondContact NH1-O 3.26Å; Q176-G179 WeakPolarHBondContact O-CA 3.43Å; Q176-G179 PolarHBondContact O-N 3.44Å; Q177-G179 PolarHBondContact O-N 2.7Å
180T98.5Very high97.5Very high21 Ų2167.7 Ų67.713%0.12933%0.329CS..PPolyproline II helixtrans-93.6148.4-177.770.50000113.7R138 T139 Q176 D178R138-T180 CarbonylContact O-C 3.47Å; R138-T180 WeakPolarHBondContact O-CA 3.43Å; T139-T180 HydrophobicContact CG2-CG2 4.26Å; Q176-T180 VanDerWaalsContact CB-O 3.31Å; Q176-T180 WeakPolarHBondContact CB-O 3.44Å; Q176-T180 WeakPolarHBondContact CG-O 3.41Å; Q176-T180 PolarHBondContact N-O 3.35Å; Q176-T180 PolarHBondContact NE2-O 3Å; Q176-T180 PolarHBondContact NE2-OG1 2.76Å; D178-T180 VanDerWaalsContact C-N 3.32Å; D178-T180 VanDerWaalsContact CG-OG1 3.3Å; D178-T180 VanDerWaalsContact OD1-CB 3.26Å; D178-T180 WeakPolarHBondContact OD1-CB 3.41Å; D178-T180 WeakPolarHBondContact OD1-CG2 3.31Å; D178-T180 PolarHBondContact OD1-N 2.85Å; D178-T180 PolarHBondContact OD1-OG1 3.46Å; D178-T180 WeakPolarHBondContact OD2-CG2 3.38Å; D178-T180 PolarHBondContact OD2-OG1 2.8Å
181I98.6Very high97.7Very high2 Ų264.5 Ų64.51%0.0131%0.311CS..BIsolated β-bridgetrans-92.8130.1168.7-61.5175.1000108.8P135 G137 R138 I175 M186 Y189P135-I181 HydrophobicContact CB-CD1 3.93Å; P135-I181 HydrophobicContact CG-CD1 4.09Å; G137-I181 WeakPolarHBondContact O-CD1 3.07Å; R138-I181 PolarHBondContact O-N 3.35Å; I175-I181 HydrophobicContact CG1-CG1 4.26Å; I181-M186 HydrophobicContact CD1-SD 4.12Å; I181-M186 HydrophobicContact CG2-CB 3.99Å; I181-M186 HydrophobicContact CG2-CG 4.02Å; I181-M186 HydrophobicContact CG2-SD 3.9Å; I181-Y189 WeakPolarHBondContact O-CD1 3.45Å; I181-Y189 WeakPolarHBondContact O-CE1 3.49Å
182S98.2Very high97.7Very high24 Ų2463.2 Ų63.217%0.16831%0.306CS..PPolyproline II helixtrans-74.4137.3176.1-178.30000111.2R184 D185 M186S182-R184 PolarHBondContact O-N 3.39Å; S182-R184 VanDerWaalsContact O-N 3.12Å; S182-R184 WeakPolarHBondContact OG-CB 3.48Å; S182-R184 PolarHBondContact OG-N 3.46Å; S182-D185 PolarHBondContact O-N 2.89Å; S182-M186 PolarHBondContact O-N 2.94Å
183H97.9Very high97.8Very high108 Ų10858.2 Ų58.250%0.528%0.281SS..THydrogen-bonded Turntrans-64.7-14.217270.7-83.2000112.9D185 M186 F187 Y189H183-D185 VanDerWaalsContact C-N 3.31Å; H183-M186 VanDerWaalsContact CA-O 3.3Å; H183-M186 WeakPolarHBondContact CA-O 3.49Å; H183-M186 CarbonylContact O-C 3.53Å; H183-F187 WeakPolarHBondContact O-CA 3.47Å; H183-Y189 HydrophobicContact CB-CE1 4.07Å
184R97.8Very high97.9Very high187 Ų18757.8 Ų57.871%0.70628%0.276SS*.THydrogen-bonded Turntrans-75.4-21.7172.4-63.3-175.8178.1-175.8-0.7112.8S182 T193S182-R184 PolarHBondContact O-N 3.39Å; S182-R184 VanDerWaalsContact O-N 3.12Å; S182-R184 WeakPolarHBondContact OG-CB 3.48Å; S182-R184 PolarHBondContact OG-N 3.46Å; R184-T193 WeakPolarHBondContact O-CB 3.26Å; R184-T193 WeakPolarHBondContact O-CG2 3.13Å; R184-T193 PolarHBondContact O-OG1 3.04Å
185D97.9Very high97.8Very high14 Ų1461 Ų618%0.07529%0.294CS..THydrogen-bonded Turntrans-97.3-38.6174.9-69.8-47.6000111.7F174 S182 H183 P192 T193 N195 K199F174-D185 HydrophobicContact CD1-CB 4.46Å; S182-D185 PolarHBondContact O-N 2.89Å; H183-D185 VanDerWaalsContact C-N 3.31Å; D185-P192 CarbonylContact O-C 3.58Å; D185-P192 VanDerWaalsContact O-CA 3.22Å; D185-P192 WeakPolarHBondContact O-CA 3.32Å; D185-T193 PolarHBondContact O-N 3.19Å; D185-T193 PolarHBondContact O-OG1 3.43Å; D185-N195 PolarHBondContact OD1-ND2 2.75Å; D185-K199 IonicContact OD1-NZ 2.71Å; D185-K199 PolarHBondContact OD1-NZ 3.39Å; D185-K199 IonicContact OD2-NZ 2.65Å; D185-K199 PolarHBondContact OD2-NZ 3.35Å
186M98.4Very high97.8Very high0 Ų059.2 Ų59.20%029%0.285CS..BIsolated β-bridgetrans-136.9107.7175.6-61.5-178.1-175.900110.7L134 P135 F174 I181 S182 H183 D188 Y189 H191L134-M186 HydrophobicContact CB-CE 4.06Å; L134-M186 HydrophobicContact CD1-CE 4.22Å; L134-M186 HydrophobicContact CD2-CE 4.42Å; L134-M186 HydrophobicContact CG-CE 4.49Å; P135-M186 HydrophobicContact CG-CE 4.15Å; P135-M186 WeakPolarHBondContact O-CE 3.36Å; F174-M186 HydrophobicContact CB-CE 4.14Å; F174-M186 HydrophobicContact CD1-CE 3.46Å; F174-M186 VanDerWaalsContact CD1-CE 3.46Å; F174-M186 HydrophobicContact CE1-CE 4.01Å; F174-M186 HydrophobicContact CG-CE 3.88Å; I181-M186 HydrophobicContact CD1-SD 4.12Å; I181-M186 HydrophobicContact CG2-CB 3.99Å; I181-M186 HydrophobicContact CG2-CG 4.02Å; I181-M186 HydrophobicContact CG2-SD 3.9Å; S182-M186 PolarHBondContact O-N 2.94Å; H183-M186 VanDerWaalsContact CA-O 3.3Å; H183-M186 WeakPolarHBondContact CA-O 3.49Å; H183-M186 CarbonylContact O-C 3.53Å; M186-D188 VanDerWaalsContact C-N 3.26Å; M186-D188 PolarHBondContact O-N 3.24Å; M186-D188 VanDerWaalsContact O-N 3.15Å; M186-Y189 PolarHBondContact O-N 3.18Å; M186-H191 CarbonylContact C-O 3.53Å; M186-H191 WeakPolarHBondContact CA-O 3.36Å
187F98Very high97.9Very high110 Ų11055 Ų5548%0.48227%0.265SS..THydrogen-bonded Turntrans-63.2-28.6-165.761.1-96.2000114.5Y46 H183 H191 T193Y46-F187 HydrophobicContact CE2-CZ 4.45Å; H183-F187 WeakPolarHBondContact O-CA 3.47Å; F187-H191 HydrophobicContact CD1-CB 4.25Å; F187-H191 VanDerWaalsContact CD1-O 3.31Å; F187-H191 WeakPolarHBondContact CD1-O 3.43Å; F187-H191 HydrophobicContact CE1-CB 3.39Å; F187-H191 HydrophobicContact CE2-CB 4.33Å; F187-H191 HydrophobicContact CZ-CB 3.44Å; F187-H191 VanDerWaalsContact CZ-CB 3.44Å; F187-H191 PolarHBondContact N-O 3.24Å; F187-H191 VanDerWaalsContact N-O 3.16Å; F187-T193 HydrophobicContact CB-CG2 4.02Å; F187-T193 HydrophobicContact CD1-CG2 4.38Å
188D98.3Very high97.9Very high69 Ų6950 Ų5037%0.36924%0.241SC..THydrogen-bonded Turntrans-118.517.517566.6-5.1000112.1M186 M190 H191M186-D188 VanDerWaalsContact C-N 3.26Å; M186-D188 PolarHBondContact O-N 3.24Å; M186-D188 VanDerWaalsContact O-N 3.15Å; D188-M190 PolarHBondContact O-N 3.46Å; D188-M190 PolarHBondContact OD1-N 2.87Å; D188-H191 IonicContact OD1-CG 3.86Å; D188-H191 PolarHBondContact OD1-N 3.22Å; D188-H191 IonicContact OD1-ND1 3.51Å; D188-H191 PolarHBondContact OD1-ND1 2.74Å; D188-H191 IonicContact OD2-CE1 3.26Å; D188-H191 IonicContact OD2-CG 3.38Å; D188-H191 IonicContact OD2-ND1 3.15Å; D188-H191 PolarHBondContact OD2-ND1 3.5Å
189Y98.2Very high97.8Very high65 Ų6547.5 Ų47.526%0.25523%0.225SC..SBendtrans62.319.7-176-40-76.7000114.6C136 G137 R138 I181 H183 M186C136-Y189 CarbonylContact C-O 3.39Å; C136-Y189 WeakPolarHBondContact CA-O 3.34Å; G137-Y189 PolarHBondContact N-O 3.42Å; R138-Y189 HydrophobicContact CB-CD1 3.75Å; R138-Y189 HydrophobicContact CB-CD2 4.12Å; R138-Y189 HydrophobicContact CB-CE1 3.88Å; R138-Y189 HydrophobicContact CB-CE2 4.24Å; R138-Y189 HydrophobicContact CB-CG 3.87Å; R138-Y189 HydrophobicContact CG-CD1 4.05Å; R138-Y189 HydrophobicContact CG-CE1 3.76Å; I181-Y189 WeakPolarHBondContact O-CD1 3.45Å; I181-Y189 WeakPolarHBondContact O-CE1 3.49Å; H183-Y189 HydrophobicContact CB-CE1 4.07Å; M186-Y189 PolarHBondContact O-N 3.18Å
190M97.7Very high97.8Very high22 Ų2247 Ų4711%0.10822%0.218CC..SBendtrans-133-49.8172.4176.567.9-165.600110.9I43 S98 C136 D188I43-M190 HydrophobicContact CD1-CE 4.41Å; S98-M190 WeakPolarHBondContact OG-CE 3.26Å; C136-M190 HydrophobicContact CB-SD 3.71Å; D188-M190 PolarHBondContact O-N 3.46Å; D188-M190 PolarHBondContact OD1-N 2.87Å
191H98.2Very high97.7Very high21 Ų2146 Ų4610%0.09721%0.213CC..SBendtrans-96.1125-173.9-60106.6000110.4S42 Y46 M186 F187 D188S42-H191 WeakPolarHBondContact CB-NE2 3.49Å; S42-H191 PolarHBondContact OG-CD2 2.73Å; S42-H191 PolarHBondContact OG-NE2 3.38Å; Y46-H191 HydrophobicContact CD2-CB 3.86Å; Y46-H191 AromaticContact CD2-CD2 3.44Å; Y46-H191 VanDerWaalsContact CD2-CD2 3.44Å; Y46-H191 WeakPolarHBondContact CD2-CD2 3.4Å; Y46-H191 AromaticContact CD2-CG 3.66Å; Y46-H191 HydrophobicContact CE2-CB 4.09Å; Y46-H191 AromaticContact CE2-CD2 3.35Å; Y46-H191 WeakPolarHBondContact CE2-CD2 3.15Å; Y46-H191 AromaticContact CE2-CE1 3.95Å; Y46-H191 AromaticContact CE2-CG 3.5Å; Y46-H191 AromaticContact CE2-ND1 3.87Å; Y46-H191 AromaticContact CE2-NE2 3.66Å; M186-H191 CarbonylContact C-O 3.53Å; M186-H191 WeakPolarHBondContact CA-O 3.36Å; F187-H191 HydrophobicContact CD1-CB 4.25Å; F187-H191 VanDerWaalsContact CD1-O 3.31Å; F187-H191 WeakPolarHBondContact CD1-O 3.43Å; F187-H191 HydrophobicContact CE1-CB 3.39Å; F187-H191 HydrophobicContact CE2-CB 4.33Å; F187-H191 HydrophobicContact CZ-CB 3.44Å; F187-H191 VanDerWaalsContact CZ-CB 3.44Å; F187-H191 PolarHBondContact N-O 3.24Å; F187-H191 VanDerWaalsContact N-O 3.16Å; D188-H191 IonicContact OD1-CG 3.86Å; D188-H191 PolarHBondContact OD1-N 3.22Å; D188-H191 IonicContact OD1-ND1 3.51Å; D188-H191 PolarHBondContact OD1-ND1 2.74Å; D188-H191 IonicContact OD2-CE1 3.26Å; D188-H191 IonicContact OD2-CG 3.38Å; D188-H191 IonicContact OD2-ND1 3.15Å; D188-H191 PolarHBondContact OD2-ND1 3.5Å
192P98.2Very high97.6Very high3 Ų351.4 Ų51.42%0.01924%0.241CC..BIsolated β-bridgetrans-60.6149.1179.3-24.333.2000113.4I43 L134 D185 Y197I43-P192 HydrophobicContact CD1-CG 4.47Å; L134-P192 HydrophobicContact CD1-CG 3.69Å; D185-P192 CarbonylContact O-C 3.58Å; D185-P192 VanDerWaalsContact O-CA 3.22Å; D185-P192 WeakPolarHBondContact O-CA 3.32Å; P192-Y197 HydrophobicContact CB-CD1 4.2Å; P192-Y197 HydrophobicContact CB-CD2 3.77Å; P192-Y197 HydrophobicContact CB-CE1 4.14Å; P192-Y197 HydrophobicContact CB-CE2 3.73Å; P192-Y197 HydrophobicContact CB-CG 4Å; P192-Y197 HydrophobicContact CG-CD1 4.47Å; P192-Y197 HydrophobicContact CG-CE1 4.09Å; P192-Y197 HydrophobicContact CG-CE2 4.37Å; P192-Y197 WeakPolarHBondContact O-CE2 3.48Å
193T98.1Very high97.5Very high30 Ų3052.7 Ų52.718%0.18425%0.249CC..  trans-83.4-178.2163.266.10000109.8R184 D185 F187 N195 G196 Y197R184-T193 WeakPolarHBondContact O-CB 3.26Å; R184-T193 WeakPolarHBondContact O-CG2 3.13Å; R184-T193 PolarHBondContact O-OG1 3.04Å; D185-T193 PolarHBondContact O-N 3.19Å; D185-T193 PolarHBondContact O-OG1 3.43Å; F187-T193 HydrophobicContact CB-CG2 4.02Å; F187-T193 HydrophobicContact CD1-CG2 4.38Å; T193-N195 VanDerWaalsContact C-N 3.26Å; T193-N195 PolarHBondContact O-N 2.83Å; T193-N195 PolarHBondContact OG1-N 3.47Å; T193-G196 PolarHBondContact O-N 2.97Å; T193-G196 VanDerWaalsContact O-N 3.1Å; T193-G196 PolarHBondContact OG1-N 2.66Å; T193-Y197 WeakPolarHBondContact O-CD2 3.31Å; T193-Y197 PolarHBondContact O-N 2.89Å
194E97.7Very high97.5Very high65 Ų6547.6 Ų47.630%0.30423%0.225SC..Hα-helixtrans-50.2-46.9169.5-16970.4-140.400111.8T50 Q51 T52 G196 Y197 E198T50-E194 VanDerWaalsContact CA-OE2 3.23Å; T50-E194 WeakPolarHBondContact CA-OE2 3.35Å; T50-E194 WeakPolarHBondContact CB-OE2 3.3Å; Q51-E194 WeakPolarHBondContact CA-OE1 3.17Å; Q51-E194 WeakPolarHBondContact CB-OE1 3.4Å; Q51-E194 VanDerWaalsContact N-CD 3.33Å; Q51-E194 PolarHBondContact N-OE1 3.24Å; Q51-E194 PolarHBondContact N-OE2 2.96Å; T52-E194 PolarHBondContact N-OE1 3.35Å; T52-E194 PolarHBondContact OG1-OE1 2.77Å; E194-G196 VanDerWaalsContact C-N 3.34Å; E194-G196 PolarHBondContact O-N 2.91Å; E194-Y197 PolarHBondContact O-N 3.39Å; E194-Y197 VanDerWaalsContact O-N 3.16Å; E194-E198 PolarHBondContact O-N 2.91Å
195N96.8Very high97.4Very high73 Ų7339.7 Ų39.739%0.3920%0.197SC..Hα-helixtrans-64-37.6178.9-167.668.6000112.6D185 T193 K199D185-N195 PolarHBondContact OD1-ND2 2.75Å; T193-N195 VanDerWaalsContact C-N 3.26Å; T193-N195 PolarHBondContact O-N 2.83Å; T193-N195 PolarHBondContact OG1-N 3.47Å; N195-K199 WeakPolarHBondContact O-CG 3.39Å; N195-K199 PolarHBondContact O-N 2.83Å
196G97.7Very high97.3Very high0 Ų045 Ų450%022%0.221CC..Hα-helixtrans-69.5-35.117500000112.7F174 T193 E194 K199 L200F174-G196 WeakPolarHBondContact CE1-O 3.42Å; T193-G196 PolarHBondContact O-N 2.97Å; T193-G196 VanDerWaalsContact O-N 3.1Å; T193-G196 PolarHBondContact OG1-N 2.66Å; E194-G196 VanDerWaalsContact C-N 3.34Å; E194-G196 PolarHBondContact O-N 2.91Å; G196-K199 PolarHBondContact O-N 2.89Å; G196-L200 PolarHBondContact O-N 3.18Å
197Y98.2Very high97.2Very high3 Ų346.8 Ų46.81%0.01223%0.23CC..Hα-helixtrans-71.5-36.6175.6-81-64000112.7I43 Y46 M47 T50 P192 T193 E194 K199 L200 C201I43-Y197 HydrophobicContact CG2-CE1 4.15Å; I43-Y197 WeakPolarHBondContact O-CE1 3.42Å; I43-Y197 PolarHBondContact O-OH 3.16Å; Y46-Y197 VanDerWaalsContact CB-OH 3.27Å; Y46-Y197 WeakPolarHBondContact CB-OH 3.45Å; M47-Y197 HydrophobicContact CB-CD1 3.86Å; M47-Y197 HydrophobicContact CB-CE1 3.48Å; M47-Y197 VanDerWaalsContact CB-CE1 3.48Å; M47-Y197 HydrophobicContact CG-CD1 3.75Å; M47-Y197 HydrophobicContact CG-CE1 3.92Å; M47-Y197 HydrophobicContact CG-CG 4.46Å; M47-Y197 PolarHBondContact N-OH 3.34Å; M47-Y197 HydrophobicContact SD-CD1 4.32Å; T50-Y197 HydrophobicContact CG2-CD2 3.29Å; T50-Y197 HydrophobicContact CG2-CE2 3.89Å; T50-Y197 HydrophobicContact CG2-CG 3.79Å; P192-Y197 HydrophobicContact CB-CD1 4.2Å; P192-Y197 HydrophobicContact CB-CD2 3.77Å; P192-Y197 HydrophobicContact CB-CE1 4.14Å; P192-Y197 HydrophobicContact CB-CE2 3.73Å; P192-Y197 HydrophobicContact CB-CG 4Å; P192-Y197 HydrophobicContact CG-CD1 4.47Å; P192-Y197 HydrophobicContact CG-CE1 4.09Å; P192-Y197 HydrophobicContact CG-CE2 4.37Å; P192-Y197 WeakPolarHBondContact O-CE2 3.48Å; T193-Y197 WeakPolarHBondContact O-CD2 3.31Å; T193-Y197 PolarHBondContact O-N 2.89Å; E194-Y197 PolarHBondContact O-N 3.39Å; E194-Y197 VanDerWaalsContact O-N 3.16Å; Y197-K199 VanDerWaalsContact C-N 3.26Å; Y197-K199 PolarHBondContact O-N 2.79Å; Y197-L200 HydrophobicContact CD1-CD2 3.96Å; Y197-L200 HydrophobicContact CE1-CD2 4.01Å; Y197-L200 PolarHBondContact O-N 3.15Å; Y197-C201 WeakPolarHBondContact O-CB 3.49Å; Y197-C201 PolarHBondContact O-N 3.12Å; Y197-C201 PolarHBondContact O-SG 3.11Å
198E96.6Very high97.1Very high102 Ų10241.5 Ų41.548%0.47721%0.207SC..Hα-helixtrans-54.4-46.2171.7-73.9177.8176.600110.8T52 E194 C201 D202T52-E198 WeakPolarHBondContact OG1-CG 3.39Å; E194-E198 PolarHBondContact O-N 2.91Å; E198-C201 PolarHBondContact O-N 3.08Å; E198-D202 PolarHBondContact O-N 3.42Å; E198-D202 VanDerWaalsContact O-N 3.11Å
199K96.4Very high96.8Very high61 Ų6140.5 Ų40.527%0.26520%0.2SC..Hα-helixtrans-65-43176.4-64.5164173.3-175.40113.4N173 F174 D185 N195 G196 Y197N173-K199 HydrophobicContact CB-CB 4.43Å; N173-K199 HydrophobicContact CB-CD 4.18Å; N173-K199 HydrophobicContact CB-CG 4.44Å; N173-K199 WeakPolarHBondContact O-CD 3.47Å; N173-K199 WeakPolarHBondContact O-CE 3.32Å; N173-K199 PolarHBondContact O-NZ 2.88Å; F174-K199 HydrophobicContact CE1-CB 4.34Å; F174-K199 HydrophobicContact CE1-CD 4.43Å; F174-K199 HydrophobicContact CE2-CB 4.42Å; F174-K199 HydrophobicContact CZ-CB 3.88Å; D185-K199 IonicContact OD1-NZ 2.71Å; D185-K199 PolarHBondContact OD1-NZ 3.39Å; D185-K199 IonicContact OD2-NZ 2.65Å; D185-K199 PolarHBondContact OD2-NZ 3.35Å; N195-K199 WeakPolarHBondContact O-CG 3.39Å; N195-K199 PolarHBondContact O-N 2.83Å; G196-K199 PolarHBondContact O-N 2.89Å; Y197-K199 VanDerWaalsContact C-N 3.26Å; Y197-K199 PolarHBondContact O-N 2.79Å
200L97.2Very high96.5Very high7 Ų741.2 Ų41.24%0.03721%0.208CC..Hα-helixtrans-67.3-40.4178.8176.666.1000111.7I43 M95 M131 L134 F174 G196 Y197I43-L200 HydrophobicContact CG2-CD2 3.8Å; M95-L200 HydrophobicContact CE-CD1 4.29Å; M95-L200 HydrophobicContact SD-CD2 4.42Å; M131-L200 HydrophobicContact CE-CD1 3.56Å; M131-L200 HydrophobicContact CE-CG 4.08Å; L134-L200 HydrophobicContact CD1-CD1 4.29Å; L134-L200 HydrophobicContact CD1-CD2 4.19Å; L134-L200 HydrophobicContact CD2-CD1 4.1Å; L134-L200 HydrophobicContact CG-CD1 4.31Å; F174-L200 HydrophobicContact CZ-CB 4.32Å; G196-L200 PolarHBondContact O-N 3.18Å; Y197-L200 HydrophobicContact CD1-CD2 3.96Å; Y197-L200 HydrophobicContact CE1-CD2 4.01Å; Y197-L200 PolarHBondContact O-N 3.15Å
201C96.7Very high96.2Very high1 Ų141 Ų411%0.00721%0.209CC..Hα-helixtrans-81-24.6-172.5-70.50000113.2M47 T52 Y197 E198 L204 L205M47-C201 PolarHBondContact SD-SG 3.01Å; T52-C201 HydrophobicContact CG2-CB 3.74Å; Y197-C201 WeakPolarHBondContact O-CB 3.49Å; Y197-C201 PolarHBondContact O-N 3.12Å; Y197-C201 PolarHBondContact O-SG 3.11Å; E198-C201 PolarHBondContact O-N 3.08Å; C201-L204 CarbonylContact O-C 3.56Å; C201-L204 WeakPolarHBondContact O-CA 3.35Å; C201-L204 WeakPolarHBondContact O-CB 3.49Å; C201-L204 PolarHBondContact O-N 3.28Å; C201-L205 HydrophobicContact CB-CD1 4.36Å; C201-L205 HydrophobicContact CB-CG 4.37Å; C201-L205 WeakPolarHBondContact O-CB 3.36Å; C201-L205 VanDerWaalsContact O-CG 3.31Å; C201-L205 WeakPolarHBondContact O-CG 3.47Å; C201-L205 PolarHBondContact O-N 3.16Å
202D95.2Very high96Very high114 Ų11440.8 Ų40.861%0.6121%0.208SC*.Hα-helixtrans-50.2-57.2-177.2-167.850000113.5E198 L204 L205 E206E198-D202 PolarHBondContact O-N 3.42Å; E198-D202 VanDerWaalsContact O-N 3.11Å; D202-L204 VanDerWaalsContact C-N 3.29Å; D202-L204 PolarHBondContact O-N 2.98Å; D202-L205 PolarHBondContact O-N 3.36Å; D202-E206 PolarHBondContact O-N 3.49Å
203P96.3Very high95.3Very high52 Ų5248.3 Ų48.334%0.33824%0.243SC..Hα-helixtrans-67.2-28.8176.527.3-36.2000113.3E207P203-E207 PolarHBondContact O-N 3.47Å
204L97.4Very high93.8Very high0 Ų049.8 Ų49.80%025%0.252CS..Hα-helixtrans-68.6-40.2177.2174.963.3000111.3I57 V93 I129 M131 L167 C201 D202 E207 L208I57-L204 HydrophobicContact CD1-CD2 4.39Å; V93-L204 HydrophobicContact CG1-CD1 3.76Å; V93-L204 HydrophobicContact CG2-CD1 4.1Å; I129-L204 HydrophobicContact CD1-CD1 4.29Å; I129-L204 HydrophobicContact CG2-CD1 4.3Å; M131-L204 HydrophobicContact CE-CB 4.1Å; M131-L204 HydrophobicContact SD-CB 4.34Å; M131-L204 HydrophobicContact SD-CD1 4.15Å; M131-L204 HydrophobicContact SD-CD2 3.92Å; M131-L204 HydrophobicContact SD-CG 4.36Å; L167-L204 HydrophobicContact CD1-CB 4.33Å; L167-L204 HydrophobicContact CD1-CD1 4.31Å; C201-L204 CarbonylContact O-C 3.56Å; C201-L204 WeakPolarHBondContact O-CA 3.35Å; C201-L204 WeakPolarHBondContact O-CB 3.49Å; C201-L204 PolarHBondContact O-N 3.28Å; D202-L204 VanDerWaalsContact C-N 3.29Å; D202-L204 PolarHBondContact O-N 2.98Å; L204-E207 PolarHBondContact O-N 3.2Å; L204-L208 HydrophobicContact CD1-CD1 4.08Å; L204-L208 HydrophobicContact CD1-CG 4.04Å; L204-L208 HydrophobicContact CD2-CD1 4.44Å; L204-L208 HydrophobicContact CG-CD1 3.86Å; L204-L208 HydrophobicContact CG-CG 4.28Å; L204-L208 WeakPolarHBondContact O-CB 3.48Å; L204-L208 VanDerWaalsContact O-CG 3.23Å; L204-L208 WeakPolarHBondContact O-CG 3.28Å; L204-L208 PolarHBondContact O-N 2.96Å
205L96.3Very high91.8Very high21 Ų2154.9 Ų54.911%0.1127%0.273CS..Hα-helixtrans-67.4-40.3-179.7-72.8176.7000111.3H56 I57 C201 D202 Q209H56-L205 HydrophobicContact CB-CD1 3.7Å; H56-L205 HydrophobicContact CB-CD2 3.57Å; H56-L205 HydrophobicContact CB-CG 4.3Å; I57-L205 HydrophobicContact CD1-CD2 4.39Å; I57-L205 HydrophobicContact CG1-CD2 3.64Å; C201-L205 HydrophobicContact CB-CD1 4.36Å; C201-L205 HydrophobicContact CB-CG 4.37Å; C201-L205 WeakPolarHBondContact O-CB 3.36Å; C201-L205 VanDerWaalsContact O-CG 3.31Å; C201-L205 WeakPolarHBondContact O-CG 3.47Å; C201-L205 PolarHBondContact O-N 3.16Å; D202-L205 PolarHBondContact O-N 3.36Å; L205-Q209 WeakPolarHBondContact O-CB 3.22Å; L205-Q209 WeakPolarHBondContact O-CG 3.24Å; L205-Q209 PolarHBondContact O-N 3.35Å
206E95.1Very high89.7Confident125 Ų12555.2 Ų55.258%0.58428%0.275SS*.Hα-helixtrans-58.4-49.9172.7-173.9177.2-179.800110.8D202 L208 Q209 N210D202-E206 PolarHBondContact O-N 3.49Å; E206-L208 PolarHBondContact O-N 3.4Å; E206-Q209 PolarHBondContact O-N 3.37Å; E206-N210 VanDerWaalsContact O-CG 3.29Å; E206-N210 PolarHBondContact O-N 2.92Å; E206-N210 PolarHBondContact O-ND2 3.42Å
207E96.1Very high87.2Confident38 Ų3864.5 Ų64.518%0.17832%0.315CS..Hα-helixtrans-68.3-35.9-178.2-174.260-168.500113.1I129 T165 L167 P203 L204 N210 S211I129-E207 HydrophobicContact CD1-CB 4.14Å; I129-E207 HydrophobicContact CD1-CG 3.48Å; I129-E207 VanDerWaalsContact CD1-CG 3.48Å; I129-E207 HydrophobicContact CG1-CG 3.9Å; T165-E207 WeakPolarHBondContact CB-OE1 3.49Å; T165-E207 HydrophobicContact CG2-CG 3.89Å; T165-E207 WeakPolarHBondContact CG2-OE1 3.47Å; T165-E207 PolarHBondContact OG1-OE1 3.02Å; L167-E207 HydrophobicContact CD1-CB 4.27Å; P203-E207 PolarHBondContact O-N 3.47Å; L204-E207 PolarHBondContact O-N 3.2Å; E207-N210 PolarHBondContact O-N 3.47Å; E207-S211 WeakPolarHBondContact O-CB 3.43Å; E207-S211 PolarHBondContact O-N 3Å; E207-S211 PolarHBondContact O-OG 3.16Å
208L96.6Very high84.7Confident0 Ų070.5 Ų70.50%035%0.352CS..Hα-helixtrans-62.8-42.5173.1-76.7171.8000111.4V36 L60 V91 V93 I129 L204 E206 S211 L212V36-L208 HydrophobicContact CG1-CD2 3.83Å; V36-L208 HydrophobicContact CG2-CD2 4.1Å; L60-L208 HydrophobicContact CD1-CB 4.1Å; L60-L208 HydrophobicContact CD1-CD1 4.06Å; V91-L208 HydrophobicContact CB-CD2 4.26Å; V91-L208 HydrophobicContact CG1-CD2 3.92Å; V93-L208 HydrophobicContact CG2-CD2 4.11Å; I129-L208 HydrophobicContact CD1-CD2 4.23Å; L204-L208 HydrophobicContact CD1-CD1 4.08Å; L204-L208 HydrophobicContact CD1-CG 4.04Å; L204-L208 HydrophobicContact CD2-CD1 4.44Å; L204-L208 HydrophobicContact CG-CD1 3.86Å; L204-L208 HydrophobicContact CG-CG 4.28Å; L204-L208 WeakPolarHBondContact O-CB 3.48Å; L204-L208 VanDerWaalsContact O-CG 3.23Å; L204-L208 WeakPolarHBondContact O-CG 3.28Å; L204-L208 PolarHBondContact O-N 2.96Å; E206-L208 PolarHBondContact O-N 3.4Å; L208-S211 PolarHBondContact O-N 3Å; L208-L212 VanDerWaalsContact O-CB 3.23Å; L208-L212 WeakPolarHBondContact O-CB 3.31Å; L208-L212 WeakPolarHBondContact O-CG 3.49Å; L208-L212 PolarHBondContact O-N 3.3Å
209Q92.4Very high81.9Confident48 Ų4873.2 Ų73.222%0.22437%0.37CS..Hα-helixtrans-63.5-43.4176.8-73172.526.200111.6L205 E206 H213 T214L205-Q209 WeakPolarHBondContact O-CB 3.22Å; L205-Q209 WeakPolarHBondContact O-CG 3.24Å; L205-Q209 PolarHBondContact O-N 3.35Å; E206-Q209 PolarHBondContact O-N 3.37Å; Q209-H213 WeakPolarHBondContact O-CA 3.35Å; Q209-H213 PolarHBondContact O-N 2.86Å; Q209-T214 VanDerWaalsContact CB-O 3.31Å; Q209-T214 WeakPolarHBondContact CB-O 3.39Å; Q209-T214 WeakPolarHBondContact CG-O 3.25Å; Q209-T214 PolarHBondContact O-N 2.93Å
210N92.3Very high79.1Confident79 Ų7974 Ų7442%0.42239%0.388SS..Hα-helixtrans-60.1-51.5175.7-69.3-23.8000111.2E206 E207 L212 H213E206-N210 VanDerWaalsContact O-CG 3.29Å; E206-N210 PolarHBondContact O-N 2.92Å; E206-N210 PolarHBondContact O-ND2 3.42Å; E207-N210 PolarHBondContact O-N 3.47Å; N210-L212 PolarHBondContact O-N 3.02Å; N210-H213 PolarHBondContact O-N 2.95Å
211S91.6Very high76.3Confident19 Ų1979.5 Ų79.513%0.13342%0.424CS..Hα-helixtrans-64.9-37.7-178.9-72.10000113E207 L208 H213E207-S211 WeakPolarHBondContact O-CB 3.43Å; E207-S211 PolarHBondContact O-N 3Å; E207-S211 PolarHBondContact O-OG 3.16Å; L208-S211 PolarHBondContact O-N 3Å; S211-H213 VanDerWaalsContact C-N 3.31Å; S211-H213 PolarHBondContact O-ND1 2.91Å
212L92.2Very high73.5Confident16 Ų1686.1 Ų86.18%0.08446%0.46CS..Hα-helixtrans-84.5-2.9179.2-65.3172.9000113.5D35 V36 L60 K90 V91 L208 N210 T214D35-L212 HydrophobicContact CB-CD2 4.33Å; V36-L212 HydrophobicContact CG2-CD1 3.8Å; V36-L212 HydrophobicContact CG2-CD2 4.27Å; V36-L212 HydrophobicContact CG2-CG 4.48Å; L60-L212 HydrophobicContact CB-CD1 4.01Å; L60-L212 HydrophobicContact CD1-CD1 4.04Å; L60-L212 HydrophobicContact CD2-CD1 4.01Å; L60-L212 HydrophobicContact CG-CD1 4.24Å; K90-L212 HydrophobicContact CB-CD2 3.68Å; K90-L212 HydrophobicContact CD-CD2 3.62Å; K90-L212 HydrophobicContact CG-CD2 4.31Å; V91-L212 HydrophobicContact CG2-CD2 3.92Å; V91-L212 HydrophobicContact CG2-CG 4.15Å; L208-L212 VanDerWaalsContact O-CB 3.23Å; L208-L212 WeakPolarHBondContact O-CB 3.31Å; L208-L212 WeakPolarHBondContact O-CG 3.49Å; L208-L212 PolarHBondContact O-N 3.3Å; N210-L212 PolarHBondContact O-N 3.02Å; L212-T214 PolarHBondContact O-N 3.34Å; L212-T214 VanDerWaalsContact O-N 3.15Å; L212-T214 PolarHBondContact O-OG1 2.6Å
213H84.1Confident71.1Confident161 Ų16186 Ų8675%0.74547%0.467SS*.THydrogen-bonded Turntrans51.732.7-172.4-5574.6000112.5Q209 N210 S211Q209-H213 WeakPolarHBondContact O-CA 3.35Å; Q209-H213 PolarHBondContact O-N 2.86Å; N210-H213 PolarHBondContact O-N 2.95Å; S211-H213 VanDerWaalsContact C-N 3.31Å; S211-H213 PolarHBondContact O-ND1 2.91Å
214T66.9Low68.5Low60 Ų6091.9 Ų91.937%0.36849%0.488SS..  trans-113.599.7-173.8-58.70000108.6Q209 L212 L216Q209-T214 VanDerWaalsContact CB-O 3.31Å; Q209-T214 WeakPolarHBondContact CB-O 3.39Å; Q209-T214 WeakPolarHBondContact CG-O 3.25Å; Q209-T214 PolarHBondContact O-N 2.93Å; L212-T214 PolarHBondContact O-N 3.34Å; L212-T214 VanDerWaalsContact O-N 3.15Å; L212-T214 PolarHBondContact O-OG1 2.6Å; T214-L216 PolarHBondContact O-N 2.84Å
215F55Low65.9Low173 Ų17397.3 Ų97.376%0.75952%0.521SS*.  trans-80.8111171.7-62.1-77.8000109.2K217F215-K217 PolarHBondContact O-N 3.32Å
216L53.5Low63.8Low80 Ų80105 Ų10542%0.41956%0.556SS.*  trans-67.1119.4166.2-73.1176.8000107.9T214 T218T214-L216 PolarHBondContact O-N 2.84Å; L216-T218 PolarHBondContact O-N 2.94Å
217K45.2Very low61.7Low194 Ų194106.3 Ų106.384%0.84357%0.568SS**  trans-63.5102.8167.3-75.3-176.4177.1-179.40108F215 N219F215-K217 PolarHBondContact O-N 3.32Å; K217-N219 PolarHBondContact O-N 3.1Å
218T45.4Very low60.1Low130 Ų130113.6 Ų113.680%0.79862%0.623SS**  trans-67.1113.7163.547.80000107.2L216 A220L216-T218 PolarHBondContact O-N 2.94Å; T218-A220 VanDerWaalsContact C-N 3.27Å; T218-A220 PolarHBondContact O-N 3.29Å
219N38Very low58.2Low158 Ų158119.3 Ų119.385%0.84565%0.654SS**  trans-69.490.3169.1-72.6-29.1000107.6K217K217-N219 PolarHBondContact O-N 3.1Å
220A37.1Very low56.4Low78 Ų78123.1 Ų123.165%0.64568%0.676SS**  trans-65136.9160.400000108.2T218 N222T218-A220 VanDerWaalsContact C-N 3.27Å; T218-A220 PolarHBondContact O-N 3.29Å; A220-N222 PolarHBondContact O-N 3.32Å
221P39.5Very low54.5Low122 Ų122125.5 Ų125.579%0.79269%0.691SS**  trans-68.6126.6174.7-114.8000109S223P221-S223 PolarHBondContact O-N 3.25Å
222N38.4Very low52.3Low141 Ų141131.8 Ų131.875%0.75472%0.723SS**  trans-63.8101.4167-83.4-11.3000109.1A220 F224A220-N222 PolarHBondContact O-N 3.32Å; N222-F224 HydrophobicContact CB-CD2 4.23Å; N222-F224 HydrophobicContact CB-CE2 4.1Å; N222-F224 PolarHBondContact O-N 2.84Å
223S43.1Very low49.8Very low111 Ų111139 Ų13978%0.77676%0.763SS**  trans-72.9100.7158.255.30000108.1P221 V225P221-S223 PolarHBondContact O-N 3.25Å; S223-V225 PolarHBondContact O-N 2.65Å
224F41.9Very low47.5Very low175 Ų175137.5 Ų137.577%0.76877%0.765SS**  trans-73.4115.3161.1-79.8-90.5000108N222N222-F224 HydrophobicContact CB-CD2 4.23Å; N222-F224 HydrophobicContact CB-CE2 4.1Å; N222-F224 PolarHBondContact O-N 2.84Å
225V43.5Very low46.1Very low115 Ų115143.1 Ų143.170%0.69779%0.793SS**  trans-124.9101.8156.9179.50000105.1S223S223-V225 PolarHBondContact O-N 2.65Å
226E51.6Low45.4Very low182 Ų182140.8 Ų140.885%0.8580%0.795SS**  trans-102.8105.1155.8-82.2-176.6165.100105.9
227D52.6Low44.7Very low153 Ų153145.8 Ų145.882%0.81883%0.827SS**  trans-66.7139.3162.9-87-31000109.1
228S60.8Low44.7Very low191 Ų191141.5 Ų141.5100%1.33683%0.825SS**  trans-120.30157.4-55.30000108.2

Retrieved 228 of 228 residues in 212.1 ms (Link to these results)

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