G4VAD2_SCHMA Loading...

Elongation factor 1-alpha

This protein promotes the GTP-dependent binding of aminoacyl-tRNA to the A-site of ribosomes during protein biosynthesis.

AlphaFold DB , UniProt , Accession G4VAD2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 465 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
1M28.6Very low73.3Confident231 Ų23170.7 Ų70.7100%1.13838%0.379SS*.  0129.80-64.4177.2-179.400106.3S3M1-S3 PolarHBondContact O-N 3.19Å
2P43.7Very low75Confident122 Ų12264.8 Ų64.879%0.79235%0.348SS*.  trans-56.9112.8168.9-10.124.3000105.5D4P2-D4 PolarHBondContact O-N 3.34Å
3S52Low76.4Confident69 Ų6959.8 Ų59.848%0.48332%0.321SS..  trans-55.8128.4179.649.80000108.2M1 K5M1-S3 PolarHBondContact O-N 3.19Å; S3-K5 PolarHBondContact O-N 3.49Å; S3-K5 WeakPolarHBondContact OG-CE 3.37Å; S3-K5 WeakPolarHBondContact OG-CG 3.38Å
4D71.1Confident77.5Confident167 Ų16755.6 Ų55.689%0.89330%0.298SS*.  trans-6567.8169.3-88.6-28.6000109.4P2P2-D4 PolarHBondContact O-N 3.34Å
5K81.5Confident78.4Confident52 Ų5254.6 Ų54.623%0.22629%0.291CS..PPolyproline II helixtrans-65.2133.6173.4-72.7-179.1-174.51790107.9S3 T82 Q83 N84 K86S3-K5 PolarHBondContact O-N 3.49Å; S3-K5 WeakPolarHBondContact OG-CE 3.37Å; S3-K5 WeakPolarHBondContact OG-CG 3.38Å; K5-T82 PolarHBondContact NZ-O 3.46Å; K5-Q83 VanDerWaalsContact CE-O 3.25Å; K5-Q83 WeakPolarHBondContact CE-O 3.14Å; K5-N84 WeakPolarHBondContact CB-O 3.43Å; K5-K86 HydrophobicContact CB-CG 4.08Å
6E83.7Confident78.9Confident96 Ų9652.9 Ų52.945%0.44928%0.283SS..EExtended strand (participates in β ladder)trans-64.4150.8175.9-171.8174.5-171.700110.3Y85 K86 P241E6-Y85 HydrophobicContact CB-CD1 3.92Å; E6-Y85 HydrophobicContact CB-CE1 4.07Å; E6-Y85 CarbonylContact O-C 3.45Å; E6-Y85 VanDerWaalsContact O-CA 3.29Å; E6-Y85 WeakPolarHBondContact O-CA 3.47Å; E6-K86 PolarHBondContact O-N 3.28Å; E6-P241 VanDerWaalsContact CD-CG 3.48Å; E6-P241 HydrophobicContact CG-CB 4.43Å; E6-P241 HydrophobicContact CG-CG 3.95Å; E6-P241 VanDerWaalsContact OE1-CB 3.31Å; E6-P241 WeakPolarHBondContact OE1-CB 3.3Å
7H83.9Confident79.4Confident40 Ų4056.1 Ų56.119%0.18530%0.3CS..EExtended strand (participates in β ladder)trans-93.6135.7-179.7-161.282.4000111.2N9 K86 T88 R244H7-N9 PolarHBondContact CD2-OD1 2.92Å; H7-N9 PolarHBondContact NE2-OD1 3.08Å; H7-K86 WeakPolarHBondContact CA-O 3.44Å; H7-K86 PolarHBondContact ND1-O 3.36Å; H7-T88 PolarHBondContact CE1-OG1 3.24Å; H7-T88 PolarHBondContact NE2-OG1 3.36Å; H7-R244 PolarHBondContact O-NH2 3.49Å
8I88.8Confident80.1Confident0 Ų053.1 Ų53.10%028%0.284CS..EExtended strand (participates in β ladder)trans-132.2133.2174.1-164.4172.8000111I10 Y85 K86 V87 T88 D110 M239 P241I8-I10 HydrophobicContact CG1-CG1 4.48Å; I8-I10 HydrophobicContact CG2-CD1 4.31Å; I8-I10 HydrophobicContact CG2-CG1 4.41Å; I8-Y85 HydrophobicContact CG2-CD2 4.48Å; I8-Y85 HydrophobicContact CG2-CG 4.13Å; I8-K86 PolarHBondContact N-O 3.14Å; I8-V87 HydrophobicContact CG2-CB 4.3Å; I8-V87 HydrophobicContact CG2-CG1 4.41Å; I8-V87 HydrophobicContact CG2-CG2 3.73Å; I8-V87 WeakPolarHBondContact O-CA 3.42Å; I8-T88 PolarHBondContact O-N 3.38Å; I8-D110 HydrophobicContact CD1-CB 4.45Å; I8-D110 HydrophobicContact CG1-CB 3.69Å; I8-M239 HydrophobicContact CD1-CB 3.85Å; I8-P241 HydrophobicContact CB-CG 4.32Å; I8-P241 HydrophobicContact CD1-CG 4.35Å; I8-P241 HydrophobicContact CG1-CG 4.4Å
9N89Confident80.7Confident0 Ų051 Ų510%028%0.276CS..EExtended strand (participates in β ladder)trans-97.5129176.1-65.1-28.4000110.5H7 T88 I90 Q108 D110 C111 R270 G309H7-N9 PolarHBondContact CD2-OD1 2.92Å; H7-N9 PolarHBondContact NE2-OD1 3.08Å; N9-T88 CarbonylContact C-O 3.58Å; N9-T88 WeakPolarHBondContact CA-O 3.45Å; N9-T88 WeakPolarHBondContact OD1-CB 3.46Å; N9-I90 HydrophobicContact CB-CD1 4.39Å; N9-Q108 WeakPolarHBondContact CB-O 3.29Å; N9-Q108 PolarHBondContact ND2-O 3.41Å; N9-D110 PolarHBondContact N-OD2 2.7Å; N9-D110 WeakPolarHBondContact O-CA 3.34Å; N9-D110 WeakPolarHBondContact O-CB 3.3Å; N9-D110 PolarHBondContact O-N 2.85Å; N9-C111 PolarHBondContact O-N 2.86Å; N9-R270 PolarHBondContact ND2-NE 3.44Å; N9-G309 PolarHBondContact ND2-O 3.28Å
10I91.9Very high81.3Confident1 Ų149.1 Ų49.11%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-125.2121.6-177.2-55-174.4000109.6I8 V87 T88 V89 I90 C111 M113 L236I8-I10 HydrophobicContact CG1-CG1 4.48Å; I8-I10 HydrophobicContact CG2-CD1 4.31Å; I8-I10 HydrophobicContact CG2-CG1 4.41Å; I10-V87 HydrophobicContact CB-CG1 4.34Å; I10-V87 HydrophobicContact CD1-CG1 3.59Å; I10-V87 HydrophobicContact CD1-CG2 4.48Å; I10-V87 HydrophobicContact CG1-CG1 3.88Å; I10-T88 PolarHBondContact N-O 3.38Å; I10-V89 CarbonylContact O-C 3.59Å; I10-V89 WeakPolarHBondContact O-CA 3.11Å; I10-I90 PolarHBondContact O-N 3.15Å; I10-C111 WeakPolarHBondContact CA-O 3.42Å; I10-C111 HydrophobicContact CG1-CB 4.33Å; I10-M113 HydrophobicContact CG2-CB 4.19Å; I10-L236 HydrophobicContact CD1-CB 4.37Å; I10-L236 HydrophobicContact CD1-CD2 3.39Å; I10-L236 HydrophobicContact CD1-CG 4.42Å; I10-L236 HydrophobicContact CG2-CD2 4.09Å
11V92.5Very high81.6Confident0 Ų047.4 Ų47.40%026%0.257CS..EExtended strand (participates in β ladder)trans-93134.2173.466.90000111I13 I90 A92 T106 A109 C111 A112 M113V11-I13 HydrophobicContact CG1-CG2 4.22Å; V11-I13 HydrophobicContact CG2-CG2 3.91Å; V11-I90 WeakPolarHBondContact CA-O 3.41Å; V11-I90 HydrophobicContact CB-CB 4.32Å; V11-I90 HydrophobicContact CG2-CB 4.31Å; V11-I90 HydrophobicContact CG2-CG2 4.34Å; V11-A92 HydrophobicContact CG2-CB 3.76Å; V11-T106 HydrophobicContact CG1-CG2 4.24Å; V11-A109 HydrophobicContact CB-CB 3.66Å; V11-A109 HydrophobicContact CG1-CB 3.5Å; V11-A109 VanDerWaalsContact CG1-CB 3.5Å; V11-C111 PolarHBondContact N-O 3.21Å; V11-A112 HydrophobicContact CG1-CB 3.82Å; V11-A112 CarbonylContact O-C 3.59Å; V11-A112 WeakPolarHBondContact O-CA 3.49Å; V11-M113 PolarHBondContact O-N 2.57Å
12V93.4Very high84.6Confident0 Ų037.5 Ų37.50%021%0.21CC..EExtended strand (participates in β ladder)trans-98.5117.8175.2-171.10000109.1K20 T24 V89 I90 A92 M113 I115V12-K20 HydrophobicContact CG1-CB 3.97Å; V12-K20 HydrophobicContact CG1-CG 4.1Å; V12-T24 WeakPolarHBondContact CG2-OG1 3.41Å; V12-V89 HydrophobicContact CG2-CG1 3.46Å; V12-V89 VanDerWaalsContact CG2-CG1 3.46Å; V12-I90 PolarHBondContact N-O 3.39Å; V12-A92 WeakPolarHBondContact O-CB 3.38Å; V12-A92 PolarHBondContact O-N 3.45Å; V12-M113 WeakPolarHBondContact CA-O 3.42Å; V12-M113 HydrophobicContact CB-CE 4.18Å; V12-M113 HydrophobicContact CG1-CE 3.79Å; V12-M113 HydrophobicContact CG2-CE 3.37Å; V12-I115 HydrophobicContact CG1-CD1 4.29Å; V12-I115 HydrophobicContact CG1-CG1 3.71Å
13I93.3Very high87Confident0 Ų031.7 Ų31.70%017%0.172CC..EExtended strand (participates in β ladder)trans-127.1157.6-175.856.6168.5000110.4V11 A92 M102 A112 M113 L114 I115 H136 A140V11-I13 HydrophobicContact CG1-CG2 4.22Å; V11-I13 HydrophobicContact CG2-CG2 3.91Å; I13-A92 HydrophobicContact CG2-CB 4.45Å; I13-M102 HydrophobicContact CG2-CG 4.24Å; I13-A112 HydrophobicContact CD1-CB 3.96Å; I13-A112 HydrophobicContact CG1-CB 4.37Å; I13-M113 PolarHBondContact N-O 3.41Å; I13-L114 HydrophobicContact CD1-CB 4.33Å; I13-L114 HydrophobicContact CD1-CD1 4.14Å; I13-L114 HydrophobicContact CG1-CB 4.11Å; I13-L114 HydrophobicContact CG1-CD1 3.9Å; I13-L114 CarbonylContact O-C 3.47Å; I13-L114 WeakPolarHBondContact O-CA 3.44Å; I13-I115 PolarHBondContact O-N 2.78Å; I13-H136 HydrophobicContact CB-CB 4.03Å; I13-H136 HydrophobicContact CD1-CB 3.98Å; I13-H136 HydrophobicContact CG1-CB 4.42Å; I13-A140 HydrophobicContact CD1-CB 4.01Å
14G91.8Very high88.9Confident0 Ų028.5 Ų28.50%015%0.15CC..EExtended strand (participates in β ladder)trans153.6168.9178.500000112.3K20 H136G14-K20 PolarHBondContact O-NZ 3.24Å; G14-K20 VanDerWaalsContact O-NZ 3.11Å; G14-H136 PolarHBondContact N-ND1 2.97Å; G14-H136 PolarHBondContact O-CE1 2.91Å; G14-H136 PolarHBondContact O-ND1 2.8Å
15H90.2Very high89.7Confident41 Ų4120.6 Ų20.619%0.1911%0.107CC..  trans-58.2158.8-178.2-164.747.1000113D17 S18 K20 Q132H15-D17 PolarHBondContact O-N 3.29Å; H15-S18 WeakPolarHBondContact O-CB 3.48Å; H15-S18 PolarHBondContact O-N 3.17Å; H15-S18 PolarHBondContact O-OG 2.63Å; H15-K20 PolarHBondContact O-NZ 3.47Å; H15-Q132 PolarHBondContact ND1-N 3.05Å; H15-Q132 PolarHBondContact ND1-OE1 3.3Å
16V87.1Confident90.1Very high28 Ų2818.3 Ų18.317%0.1710%0.098CC..THydrogen-bonded Turntrans-52.3141.3165.4-168.10000108.5S18 I71 H95 Q132V16-S18 PolarHBondContact O-N 2.79Å; V16-I71 HydrophobicContact CG1-CG2 4.19Å; V16-H95 HydrophobicContact CG2-CB 4.27Å; V16-Q132 VanDerWaalsContact CG2-OE1 3.27Å
17D86.9Confident90.4Very high106 Ų10613.8 Ų13.857%0.5678%0.077SC*.THydrogen-bonded Turntrans61.25.9-180-52.8-34000117.2H15 G19 K154H15-D17 PolarHBondContact O-N 3.29Å; D17-G19 PolarHBondContact O-N 3.1Å; D17-G19 VanDerWaalsContact O-N 3.08Å; D17-K154 WeakPolarHBondContact O-CE 3.23Å; D17-K154 PolarHBondContact O-NZ 3.13Å
18S92.7Very high90.5Very high3 Ų311.9 Ų11.92%0.0217%0.068CC..SBendtrans-63.6-12.3171.757.90000114.2H15 V16 I115 N153H15-S18 WeakPolarHBondContact O-CB 3.48Å; H15-S18 PolarHBondContact O-N 3.17Å; H15-S18 PolarHBondContact O-OG 2.63Å; V16-S18 PolarHBondContact O-N 2.79Å; S18-I115 WeakPolarHBondContact O-CG2 3.24Å; S18-N153 PolarHBondContact O-ND2 3.1Å
19G92.1Very high90.3Very high13 Ų1314.1 Ų14.113%0.1348%0.078CC..  trans91.221.2178.400000115.2D17 S21 T22 T23D17-G19 PolarHBondContact O-N 3.1Å; D17-G19 VanDerWaalsContact O-N 3.08Å; G19-S21 PolarHBondContact O-N 2.86Å; G19-T22 PolarHBondContact O-N 2.66Å; G19-T23 WeakPolarHBondContact O-CB 3.04Å; G19-T23 PolarHBondContact O-N 3.16Å; G19-T23 PolarHBondContact O-OG1 2.78Å
20K91.5Very high90.1Very high12 Ų1220.2 Ų20.25%0.05210%0.104CC..Hα-helixtrans-45.7-60.7176.1-65.2-178.6-61.9-61.90113.3V12 G14 H15 T22 T23 T24 A92 I115V12-K20 HydrophobicContact CG1-CB 3.97Å; V12-K20 HydrophobicContact CG1-CG 4.1Å; G14-K20 PolarHBondContact O-NZ 3.24Å; G14-K20 VanDerWaalsContact O-NZ 3.11Å; H15-K20 PolarHBondContact O-NZ 3.47Å; K20-T22 VanDerWaalsContact C-N 3.31Å; K20-T22 PolarHBondContact O-N 2.95Å; K20-T23 PolarHBondContact O-N 3.2Å; K20-T24 WeakPolarHBondContact O-CB 3.38Å; K20-T24 PolarHBondContact O-N 2.81Å; K20-T24 PolarHBondContact O-OG1 2.97Å; K20-A92 WeakPolarHBondContact CE-O 3.3Å; K20-I115 HydrophobicContact CG-CB 4.06Å; K20-I115 HydrophobicContact CG-CG1 3.99Å
21S88.8Confident89.7Confident14 Ų1421.8 Ų21.810%0.09812%0.115CC..Hα-helixtrans-66.5-35.8-172.9-40.30000111.6G19 G25 L60 T72 D91G19-S21 PolarHBondContact O-N 2.86Å; S21-G25 PolarHBondContact O-N 2.81Å; S21-L60 WeakPolarHBondContact O-CD1 3.27Å; S21-T72 PolarHBondContact OG-OG1 2.87Å; S21-D91 PolarHBondContact OG-OD2 3.47Å
22T91Very high89Confident24 Ų2424.8 Ų24.815%0.14715%0.145CC..Hα-helixtrans-63-50.4173.1-53.20000111.4G19 K20 G25 H26 Y56 W196G19-T22 PolarHBondContact O-N 2.66Å; K20-T22 VanDerWaalsContact C-N 3.31Å; K20-T22 PolarHBondContact O-N 2.95Å; T22-G25 PolarHBondContact O-N 3.41Å; T22-H26 VanDerWaalsContact O-CB 3.26Å; T22-H26 WeakPolarHBondContact O-CB 3.43Å; T22-H26 PolarHBondContact O-N 3.07Å; T22-Y56 HydrophobicContact CG2-CD2 4.15Å; T22-W196 HydrophobicContact CG2-CE3 3.9Å
23T93.3Very high87.9Confident0 Ų026.5 Ų26.50%016%0.163CC..Hα-helixtrans-61-47.2178.7-620000111.2G19 K20 H26 L27 I115 N153 I193 M201 L232G19-T23 WeakPolarHBondContact O-CB 3.04Å; G19-T23 PolarHBondContact O-N 3.16Å; G19-T23 PolarHBondContact O-OG1 2.78Å; K20-T23 PolarHBondContact O-N 3.2Å; T23-H26 PolarHBondContact O-N 2.77Å; T23-L27 WeakPolarHBondContact O-CB 3.5Å; T23-L27 PolarHBondContact O-N 2.86Å; T23-I115 HydrophobicContact CG2-CD1 4.06Å; T23-N153 PolarHBondContact OG1-ND2 2.86Å; T23-I193 HydrophobicContact CG2-CD1 3.62Å; T23-M201 HydrophobicContact CG2-CE 3.61Å; T23-M201 HydrophobicContact CG2-SD 3.94Å; T23-M201 VanDerWaalsContact O-CE 3.26Å; T23-M201 WeakPolarHBondContact O-CE 3.38Å; T23-L232 HydrophobicContact CG2-CD2 4.01Å
24T91.6Very high86.9Confident2 Ų227.3 Ų27.31%0.01217%0.167CC..Hα-helixtrans-62.9-49.3178.4-59.70000111.6V12 K20 H26 L27 I28 L60 V89 D91V12-T24 WeakPolarHBondContact CG2-OG1 3.41Å; K20-T24 WeakPolarHBondContact O-CB 3.38Å; K20-T24 PolarHBondContact O-N 2.81Å; K20-T24 PolarHBondContact O-OG1 2.97Å; T24-H26 VanDerWaalsContact C-N 3.34Å; T24-H26 PolarHBondContact O-N 2.92Å; T24-L27 PolarHBondContact O-N 3.36Å; T24-I28 HydrophobicContact CG2-CD1 3.71Å; T24-I28 HydrophobicContact CG2-CG1 4.49Å; T24-I28 WeakPolarHBondContact O-CD1 3.38Å; T24-I28 VanDerWaalsContact O-CG1 3.25Å; T24-I28 WeakPolarHBondContact O-CG1 3.25Å; T24-I28 PolarHBondContact O-N 3.1Å; T24-L60 HydrophobicContact CG2-CD1 3.6Å; T24-L60 HydrophobicContact CG2-CD2 4.21Å; T24-V89 HydrophobicContact CG2-CB 4.43Å; T24-V89 HydrophobicContact CG2-CG1 3.65Å; T24-D91 HydrophobicContact CG2-CB 4.48Å
25G88.2Confident86.1Confident0 Ų032.4 Ų32.40%019%0.194CC..Hα-helixtrans-62.2-39.8179.100000112.7S21 T22 F29S21-G25 PolarHBondContact O-N 2.81Å; T22-G25 PolarHBondContact O-N 3.41Å; G25-F29 WeakPolarHBondContact O-CB 3.29Å; G25-F29 PolarHBondContact O-N 3.33Å
26H90.5Very high85.5Confident4 Ų437.8 Ų37.82%0.01922%0.217CC..Hα-helixtrans-67.1-42.6176.5-164.1166000111.4T22 T23 T24 F29 K30 Y56 G195 W196 G198T22-H26 VanDerWaalsContact O-CB 3.26Å; T22-H26 WeakPolarHBondContact O-CB 3.43Å; T22-H26 PolarHBondContact O-N 3.07Å; T23-H26 PolarHBondContact O-N 2.77Å; T24-H26 VanDerWaalsContact C-N 3.34Å; T24-H26 PolarHBondContact O-N 2.92Å; H26-F29 PolarHBondContact O-N 3.1Å; H26-K30 VanDerWaalsContact CD2-CG 3.46Å; H26-K30 WeakPolarHBondContact CD2-CG 3.45Å; H26-K30 WeakPolarHBondContact NE2-CE 3.36Å; H26-K30 WeakPolarHBondContact O-CG 3.46Å; H26-K30 PolarHBondContact O-N 3.36Å; H26-Y56 HydrophobicContact CB-CD1 4.31Å; H26-Y56 HydrophobicContact CB-CD2 3.95Å; H26-Y56 HydrophobicContact CB-CE2 4.18Å; H26-Y56 HydrophobicContact CB-CG 4.01Å; H26-Y56 AromaticContact CD2-CZ 3.91Å; H26-Y56 AromaticContact CE1-CE2 3.94Å; H26-Y56 AromaticContact CG-CE2 3.81Å; H26-Y56 AromaticContact CG-CZ 3.95Å; H26-Y56 AromaticContact ND1-CE2 3.62Å; H26-G195 WeakPolarHBondContact CB-O 3.34Å; H26-G195 PolarHBondContact ND1-O 3.18Å; H26-W196 PolarHBondContact CE1-O 3.07Å; H26-G198 WeakPolarHBondContact CE1-CA 3.04Å; H26-G198 PolarHBondContact CE1-N 2.85Å
27L89.9Confident85.1Confident2 Ų246 Ų461%0.0125%0.245CC..Hα-helixtrans-59.8-48.5176.4-173.866000111.4T23 T24 F29 K30 C31 F80 M201 I202 L233 L236T23-L27 WeakPolarHBondContact O-CB 3.5Å; T23-L27 PolarHBondContact O-N 2.86Å; T24-L27 PolarHBondContact O-N 3.36Å; L27-F29 VanDerWaalsContact C-N 3.34Å; L27-F29 PolarHBondContact O-N 2.6Å; L27-K30 PolarHBondContact O-N 3.12Å; L27-C31 WeakPolarHBondContact O-CB 3.28Å; L27-C31 PolarHBondContact O-N 3.19Å; L27-C31 PolarHBondContact O-SG 3.09Å; L27-F80 HydrophobicContact CD2-CE1 3.62Å; L27-F80 HydrophobicContact CD2-CE2 4.44Å; L27-F80 HydrophobicContact CD2-CZ 3.54Å; L27-F80 HydrophobicContact CG-CE1 4.01Å; L27-F80 HydrophobicContact CG-CZ 4.06Å; L27-M201 HydrophobicContact CB-CE 3.86Å; L27-M201 HydrophobicContact CD1-CE 4.34Å; L27-I202 HydrophobicContact CD1-CD1 4.29Å; L27-I202 HydrophobicContact CD1-CG1 4.1Å; L27-L233 HydrophobicContact CD1-CD1 4.35Å; L27-L236 HydrophobicContact CD2-CD1 3.57Å
28I86.8Confident84.6Confident0 Ų042.3 Ų42.30%023%0.23CC..Hα-helixtrans-62-43.4178.9-61.5157.7000110.6T24 K30 C31 G32 G33 I34 L60 W78 F80T24-I28 HydrophobicContact CG2-CD1 3.71Å; T24-I28 HydrophobicContact CG2-CG1 4.49Å; T24-I28 WeakPolarHBondContact O-CD1 3.38Å; T24-I28 VanDerWaalsContact O-CG1 3.25Å; T24-I28 WeakPolarHBondContact O-CG1 3.25Å; T24-I28 PolarHBondContact O-N 3.1Å; I28-K30 PolarHBondContact O-N 2.78Å; I28-C31 PolarHBondContact O-N 2.68Å; I28-G32 PolarHBondContact O-N 3.1Å; I28-G33 PolarHBondContact O-N 2.86Å; I28-I34 HydrophobicContact CB-CD1 3.79Å; I28-I34 HydrophobicContact CG2-CD1 3.42Å; I28-I34 VanDerWaalsContact CG2-CD1 3.42Å; I28-I34 HydrophobicContact CG2-CG1 3.62Å; I28-L60 HydrophobicContact CD1-CD2 3.83Å; I28-W78 HydrophobicContact CD1-CB 3.41Å; I28-W78 VanDerWaalsContact CD1-CB 3.41Å; I28-W78 HydrophobicContact CD1-CD2 4.2Å; I28-W78 HydrophobicContact CD1-CG 3.66Å; I28-W78 HydrophobicContact CG1-CB 4.19Å; I28-W78 HydrophobicContact CG2-CE3 4.36Å; I28-F80 HydrophobicContact CG1-CD1 4.23Å
29F84.8Confident83.8Confident47 Ų4742.7 Ų42.721%0.20623%0.232CC..Hα-helixtrans-57.8-52.2178.6168.8-134000111.6G25 H26 L27 C31 G32 I34 K36 I39 Y56G25-F29 WeakPolarHBondContact O-CB 3.29Å; G25-F29 PolarHBondContact O-N 3.33Å; H26-F29 PolarHBondContact O-N 3.1Å; L27-F29 VanDerWaalsContact C-N 3.34Å; L27-F29 PolarHBondContact O-N 2.6Å; F29-C31 VanDerWaalsContact C-N 3.31Å; F29-C31 PolarHBondContact O-N 3.21Å; F29-G32 PolarHBondContact O-N 3.29Å; F29-I34 HydrophobicContact CB-CD1 4.37Å; F29-K36 HydrophobicContact CE2-CG 4.19Å; F29-I39 HydrophobicContact CB-CD1 3.69Å; F29-I39 HydrophobicContact CD1-CD1 4.17Å; F29-I39 HydrophobicContact CD2-CD1 2.9Å; F29-I39 HydrophobicContact CD2-CG1 4.38Å; F29-I39 HydrophobicContact CE2-CD1 3.37Å; F29-I39 HydrophobicContact CG-CD1 3.33Å; F29-I39 HydrophobicContact CZ-CD1 4.18Å; F29-Y56 AromaticContact CD1-CE1 3.77Å; F29-Y56 HydrophobicContact CD1-CE1 3.77Å; F29-Y56 HydrophobicContact CE1-CE1 4.35Å; F29-Y56 HydrophobicContact CG-CE1 4.44Å
30K84.3Confident83.1Confident127 Ų12748 Ų4855%0.55225%0.253SS*.Hα-helixtrans-71.7-26.7-175.1-70.6-84.9-171.4170.50112.9H26 L27 I28 G32 I202H26-K30 VanDerWaalsContact CD2-CG 3.46Å; H26-K30 WeakPolarHBondContact CD2-CG 3.45Å; H26-K30 WeakPolarHBondContact NE2-CE 3.36Å; H26-K30 WeakPolarHBondContact O-CG 3.46Å; H26-K30 PolarHBondContact O-N 3.36Å; L27-K30 PolarHBondContact O-N 3.12Å; I28-K30 PolarHBondContact O-N 2.78Å; K30-G32 PolarHBondContact O-N 2.95Å; K30-I202 HydrophobicContact CB-CD1 3.04Å; K30-I202 HydrophobicContact CB-CG1 4.49Å; K30-I202 HydrophobicContact CG-CD1 4.02Å
31C83.8Confident82.6Confident35 Ų3553.5 Ų53.524%0.23628%0.277CS..THydrogen-bonded Turntrans-81.36.7171.4-58.70000113.3L27 I28 F29 G33 F80L27-C31 WeakPolarHBondContact O-CB 3.28Å; L27-C31 PolarHBondContact O-N 3.19Å; L27-C31 PolarHBondContact O-SG 3.09Å; I28-C31 PolarHBondContact O-N 2.68Å; F29-C31 VanDerWaalsContact C-N 3.31Å; F29-C31 PolarHBondContact O-N 3.21Å; C31-G33 VanDerWaalsContact C-N 3.34Å; C31-G33 PolarHBondContact O-N 2.89Å; C31-F80 HydrophobicContact CB-CB 3.56Å; C31-F80 HydrophobicContact CB-CD2 4.02Å; C31-F80 HydrophobicContact CB-CG 3.95Å
32G76.2Confident82.1Confident62 Ų6255.2 Ų55.264%0.63928%0.282SS*.THydrogen-bonded Turntrans77.812.417600000115I28 F29 K30 I34I28-G32 PolarHBondContact O-N 3.1Å; F29-G32 PolarHBondContact O-N 3.29Å; K30-G32 PolarHBondContact O-N 2.95Å; G32-I34 PolarHBondContact O-N 3.26Å
33G71.3Confident81.5Confident36 Ų3658.2 Ų58.237%0.37129%0.294SS..  trans-75.1-8.9179.500000114.6I28 C31I28-G33 PolarHBondContact O-N 2.86Å; C31-G33 VanDerWaalsContact C-N 3.34Å; C31-G33 PolarHBondContact O-N 2.89Å
34I73Confident80.8Confident17 Ų1764.9 Ų64.99%0.08732%0.323CS..SBendtrans-131.4133178.3-59.9144.4000109.7I28 F29 G32 A38 I39 V59 W78I28-I34 HydrophobicContact CB-CD1 3.79Å; I28-I34 HydrophobicContact CG2-CD1 3.42Å; I28-I34 VanDerWaalsContact CG2-CD1 3.42Å; I28-I34 HydrophobicContact CG2-CG1 3.62Å; F29-I34 HydrophobicContact CB-CD1 4.37Å; G32-I34 PolarHBondContact O-N 3.26Å; I34-A38 HydrophobicContact CG2-CB 4.04Å; I34-I39 HydrophobicContact CB-CD1 4.1Å; I34-I39 HydrophobicContact CG2-CD1 3.74Å; I34-I39 HydrophobicContact CG2-CG1 3.7Å; I34-V59 HydrophobicContact CD1-CB 4.31Å; I34-V59 HydrophobicContact CD1-CG1 3.29Å; I34-V59 HydrophobicContact CD1-CG2 4.15Å; I34-V59 HydrophobicContact CG1-CG1 3.89Å; I34-W78 HydrophobicContact CG1-CZ3 4.11Å
35D74.9Confident80.2Confident107 Ų10767.1 Ų67.157%0.57233%0.333SS*.  trans-63.5134.3174.1-169.8-64.2000110.9R37 A38 I39D35-R37 PolarHBondContact O-N 2.8Å; D35-R37 VanDerWaalsContact O-N 3.16Å; D35-R37 VanDerWaalsContact OD1-CB 3.27Å; D35-R37 WeakPolarHBondContact OD1-CB 3.3Å; D35-R37 PolarHBondContact OD1-N 3.26Å; D35-A38 HydrophobicContact CB-CB 4.5Å; D35-A38 WeakPolarHBondContact O-CB 3.4Å; D35-A38 PolarHBondContact O-N 2.83Å; D35-I39 PolarHBondContact O-N 3.21Å
36K76.9Confident79.6Confident154 Ų15467.1 Ų67.167%0.6733%0.333SS*.Hα-helixtrans-53-37.9179.5-72.4-176.6176.7-178.10112.7F29 A38 I39 E40F29-K36 HydrophobicContact CE2-CG 4.19Å; K36-A38 VanDerWaalsContact C-N 3.3Å; K36-A38 PolarHBondContact O-N 2.83Å; K36-I39 PolarHBondContact O-N 2.95Å; K36-E40 PolarHBondContact O-N 3.39Å; K36-E40 VanDerWaalsContact O-N 3.09Å
37R78.6Confident78.9Confident200 Ų20069 Ų6976%0.75535%0.353SS*.Hα-helixtrans-65-34178.6-64.5178.6174.1178.5-0.3112.4D35 I39 K41D35-R37 PolarHBondContact O-N 2.8Å; D35-R37 VanDerWaalsContact O-N 3.16Å; D35-R37 VanDerWaalsContact OD1-CB 3.27Å; D35-R37 WeakPolarHBondContact OD1-CB 3.3Å; D35-R37 PolarHBondContact OD1-N 3.26Å; R37-I39 VanDerWaalsContact C-N 3.31Å; R37-K41 PolarHBondContact O-N 2.93Å; R37-K41 VanDerWaalsContact O-N 3.15Å
38A76.2Confident78.3Confident30 Ų3075.7 Ų75.725%0.24839%0.385CS..Hα-helixtrans-65.7-38.7176.500000110.7I34 D35 K36 K41 Y42I34-A38 HydrophobicContact CG2-CB 4.04Å; D35-A38 HydrophobicContact CB-CB 4.5Å; D35-A38 WeakPolarHBondContact O-CB 3.4Å; D35-A38 PolarHBondContact O-N 2.83Å; K36-A38 VanDerWaalsContact C-N 3.3Å; K36-A38 PolarHBondContact O-N 2.83Å; A38-K41 WeakPolarHBondContact O-CB 3.44Å; A38-K41 PolarHBondContact O-N 3.13Å; A38-Y42 HydrophobicContact CB-CE2 4.09Å; A38-Y42 WeakPolarHBondContact O-CD2 3.43Å; A38-Y42 VanDerWaalsContact O-CG 3.23Å; A38-Y42 PolarHBondContact O-N 3.25Å
39I75.7Confident77.5Confident11 Ų1180.3 Ų80.36%0.05641%0.407CS..Hα-helixtrans-69.6-41.8178-75164.5000112.2F29 I34 D35 K36 R37 K41 Y42 E43 V59F29-I39 HydrophobicContact CB-CD1 3.69Å; F29-I39 HydrophobicContact CD1-CD1 4.17Å; F29-I39 HydrophobicContact CD2-CD1 2.9Å; F29-I39 HydrophobicContact CD2-CG1 4.38Å; F29-I39 HydrophobicContact CE2-CD1 3.37Å; F29-I39 HydrophobicContact CG-CD1 3.33Å; F29-I39 HydrophobicContact CZ-CD1 4.18Å; I34-I39 HydrophobicContact CB-CD1 4.1Å; I34-I39 HydrophobicContact CG2-CD1 3.74Å; I34-I39 HydrophobicContact CG2-CG1 3.7Å; D35-I39 PolarHBondContact O-N 3.21Å; K36-I39 PolarHBondContact O-N 2.95Å; R37-I39 VanDerWaalsContact C-N 3.31Å; I39-K41 PolarHBondContact O-N 2.85Å; I39-Y42 PolarHBondContact O-N 2.78Å; I39-Y42 VanDerWaalsContact O-N 3.11Å; I39-E43 WeakPolarHBondContact O-CB 3.44Å; I39-E43 PolarHBondContact O-N 2.97Å; I39-V59 HydrophobicContact CG1-CG2 4.4Å
40E78.6Confident76.9Confident124 Ų12481.4 Ų81.458%0.57943%0.432SS*.Hα-helixtrans-57.9-41.3174.2-70.8170.6-177.500111.4K36 E43 K44K36-E40 PolarHBondContact O-N 3.39Å; K36-E40 VanDerWaalsContact O-N 3.09Å; E40-E43 PolarHBondContact O-N 3.43Å; E40-K44 PolarHBondContact O-N 2.64Å; E40-K44 VanDerWaalsContact O-N 3.07Å
41K80.9Confident76Confident127 Ų12777.3 Ų77.355%0.55241%0.414SS*.Hα-helixtrans-62.3-46.3173.7179.5179.1171.4179.80111.7R37 A38 I39 K44 E45R37-K41 PolarHBondContact O-N 2.93Å; R37-K41 VanDerWaalsContact O-N 3.15Å; A38-K41 WeakPolarHBondContact O-CB 3.44Å; A38-K41 PolarHBondContact O-N 3.13Å; I39-K41 PolarHBondContact O-N 2.85Å; K41-K44 PolarHBondContact O-N 2.59Å; K41-E45 WeakPolarHBondContact CE-OE1 3.5Å; K41-E45 IonicContact NZ-OE1 2.94Å; K41-E45 WeakPolarHBondContact O-CG 3.43Å; K41-E45 PolarHBondContact O-N 3Å
42Y78.7Confident75Confident51 Ų5177.4 Ų77.420%0.242%0.422CS..Hα-helixtrans-68.1-35.5179.5-63.3-40000113A38 I39 K44 E45 S46 W58 V59A38-Y42 HydrophobicContact CB-CE2 4.09Å; A38-Y42 WeakPolarHBondContact O-CD2 3.43Å; A38-Y42 VanDerWaalsContact O-CG 3.23Å; A38-Y42 PolarHBondContact O-N 3.25Å; I39-Y42 PolarHBondContact O-N 2.78Å; I39-Y42 VanDerWaalsContact O-N 3.11Å; Y42-K44 VanDerWaalsContact C-N 3.34Å; Y42-E45 PolarHBondContact O-N 3.41Å; Y42-S46 VanDerWaalsContact O-CB 3.25Å; Y42-S46 WeakPolarHBondContact O-CB 3.42Å; Y42-S46 PolarHBondContact O-N 2.87Å; Y42-S46 PolarHBondContact O-OG 2.86Å; Y42-W58 AromaticContact CD1-CD1 3.95Å; Y42-V59 HydrophobicContact CD2-CG2 3.95Å; Y42-V59 HydrophobicContact CE2-CG2 4.38Å
43E77.3Confident74.5Confident86 Ų8677.9 Ų77.940%0.40242%0.415SS..Hα-helixtrans-62-44.9174.3-171.6161.8-140.900110I39 E40 S46 G47 K55I39-E43 WeakPolarHBondContact O-CB 3.44Å; I39-E43 PolarHBondContact O-N 2.97Å; E40-E43 PolarHBondContact O-N 3.43Å; E43-S46 PolarHBondContact O-N 3.42Å; E43-S46 PolarHBondContact O-OG 3.01Å; E43-G47 PolarHBondContact O-N 3.41Å; E43-K55 HydrophobicContact CB-CB 4.35Å; E43-K55 HydrophobicContact CG-CB 4.43Å; E43-K55 HydrophobicContact CG-CD 4.18Å; E43-K55 VanDerWaalsContact OE1-CD 3.24Å; E43-K55 WeakPolarHBondContact OE1-CD 3.24Å; E43-K55 IonicContact OE1-NZ 3.95Å; E43-K55 PolarHBondContact OE1-NZ 2.87Å
44K79.5Confident74.3Confident140 Ų14079.1 Ų79.161%0.60941%0.411SS*.Hα-helixtrans-60.9-51.4173.5-172.8178.2175.4-178.50112.6E40 K41 Y42 S46 G47 E48E40-K44 PolarHBondContact O-N 2.64Å; E40-K44 VanDerWaalsContact O-N 3.07Å; K41-K44 PolarHBondContact O-N 2.59Å; Y42-K44 VanDerWaalsContact C-N 3.34Å; K44-S46 VanDerWaalsContact C-N 3.33Å; K44-S46 PolarHBondContact O-N 2.9Å; K44-G47 PolarHBondContact O-N 2.96Å; K44-E48 WeakPolarHBondContact CE-OE1 3.43Å; K44-E48 WeakPolarHBondContact O-CG 3.19Å; K44-E48 PolarHBondContact O-N 2.77Å
45E78Confident74.5Confident50 Ų5080.2 Ų80.223%0.23442%0.415CS..Hα-helixtrans-58.7-43.5178.6-75.8-178.8-167.600112K41 Y42 E48 M49 W58 R67K41-E45 WeakPolarHBondContact CE-OE1 3.5Å; K41-E45 IonicContact NZ-OE1 2.94Å; K41-E45 WeakPolarHBondContact O-CG 3.43Å; K41-E45 PolarHBondContact O-N 3Å; Y42-E45 PolarHBondContact O-N 3.41Å; E45-E48 PolarHBondContact O-N 2.91Å; E45-M49 PolarHBondContact O-N 3.36Å; E45-W58 PolarHBondContact OE2-NE1 2.89Å; E45-R67 IonicContact OE2-CZ 3.53Å; E45-R67 IonicContact OE2-NH1 3.99Å; E45-R67 PolarHBondContact OE2-NH1 3.19Å
46S75.5Confident74.7Confident0 Ų076.1 Ų76.10%039%0.391CS..Hα-helixtrans-67.1-37.5179.6730000112Y42 E43 K44 M49 G50 K51 G52Y42-S46 VanDerWaalsContact O-CB 3.25Å; Y42-S46 WeakPolarHBondContact O-CB 3.42Å; Y42-S46 PolarHBondContact O-N 2.87Å; Y42-S46 PolarHBondContact O-OG 2.86Å; E43-S46 PolarHBondContact O-N 3.42Å; E43-S46 PolarHBondContact O-OG 3.01Å; K44-S46 VanDerWaalsContact C-N 3.33Å; K44-S46 PolarHBondContact O-N 2.9Å; S46-M49 PolarHBondContact O-N 2.7Å; S46-G50 PolarHBondContact O-N 2.65Å; S46-K51 CarbonylContact O-C 3.35Å; S46-K51 WeakPolarHBondContact O-CA 3.4Å; S46-K51 PolarHBondContact O-N 3.34Å; S46-G52 PolarHBondContact O-N 2.86Å
47G75.9Confident74.5Confident43 Ų4369 Ų6944%0.44336%0.361SS..Hα-helixtrans-64.2-45174.500000112.3E43 K44 M49 G50E43-G47 PolarHBondContact O-N 3.41Å; K44-G47 PolarHBondContact O-N 2.96Å; G47-M49 PolarHBondContact O-N 3.42Å; G47-G50 PolarHBondContact O-N 2.74Å
48E78.2Confident74.4Confident142 Ų14259.6 Ų59.666%0.66433%0.326SS*.Hα-helixtrans-61.1-29.4177.6-73.3174.1-176.400112.7K44 E45 G50K44-E48 WeakPolarHBondContact CE-OE1 3.43Å; K44-E48 WeakPolarHBondContact O-CG 3.19Å; K44-E48 PolarHBondContact O-N 2.77Å; E45-E48 PolarHBondContact O-N 2.91Å; E48-G50 VanDerWaalsContact C-N 3.34Å
49M70.1Confident74.3Confident97 Ų9758.2 Ų58.248%0.47831%0.314SS..THydrogen-bonded Turntrans-887.4175.6-68.1-170.163.200114.3E45 S46 G47 K51 W58E45-M49 PolarHBondContact O-N 3.36Å; S46-M49 PolarHBondContact O-N 2.7Å; G47-M49 PolarHBondContact O-N 3.42Å; M49-K51 PolarHBondContact O-N 3.19Å; M49-W58 HydrophobicContact CB-CH2 3.98Å; M49-W58 HydrophobicContact CE-CH2 4.14Å; M49-W58 HydrophobicContact CE-CZ2 4.47Å; M49-W58 HydrophobicContact CG-CH2 4.24Å; M49-W58 HydrophobicContact CG-CZ2 4.35Å; M49-W58 HydrophobicContact SD-CH2 3.52Å; M49-W58 VanDerWaalsContact SD-CH2 3.52Å; M49-W58 HydrophobicContact SD-CZ2 3.41Å; M49-W58 WeakPolarHBondContact SD-CZ2 3.18Å
50G70.4Confident74.2Confident71 Ų7157.9 Ų57.973%0.73231%0.312SS*.THydrogen-bonded Turntrans7017.9-177.400000113.8S46 G47 E48S46-G50 PolarHBondContact O-N 2.65Å; G47-G50 PolarHBondContact O-N 2.74Å; E48-G50 VanDerWaalsContact C-N 3.34Å
51K67Low74Confident40 Ų4052.2 Ų52.217%0.17429%0.286CS..  trans-119.138.4-174.8-69.9-166.7179.9-165.50111.6S46 M49 S53 F54 W58 R67 E68S46-K51 CarbonylContact O-C 3.35Å; S46-K51 WeakPolarHBondContact O-CA 3.4Å; S46-K51 PolarHBondContact O-N 3.34Å; M49-K51 PolarHBondContact O-N 3.19Å; K51-S53 PolarHBondContact O-N 2.98Å; K51-F54 HydrophobicContact CB-CB 4.42Å; K51-F54 HydrophobicContact CB-CD2 3.62Å; K51-F54 HydrophobicContact CB-CE2 4.27Å; K51-F54 HydrophobicContact CB-CG 4.32Å; K51-F54 HydrophobicContact CD-CD2 4.31Å; K51-F54 HydrophobicContact CD-CE2 4.42Å; K51-F54 HydrophobicContact CG-CD2 4.13Å; K51-F54 HydrophobicContact CG-CE2 4.31Å; K51-F54 WeakPolarHBondContact O-CB 3.34Å; K51-F54 WeakPolarHBondContact O-CD2 3.4Å; K51-F54 PolarHBondContact O-N 3.28Å; K51-W58 HydrophobicContact CB-CH2 4.36Å; K51-W58 HydrophobicContact CB-CZ3 3.75Å; K51-W58 HydrophobicContact CD-CH2 4.26Å; K51-W58 HydrophobicContact CD-CZ3 3.86Å; K51-W58 HydrophobicContact CG-CZ3 4.41Å; K51-R67 PolarHBondContact NZ-O 3.44Å; K51-E68 VanDerWaalsContact NZ-C 3.26Å; K51-E68 PolarHBondContact NZ-O 3.2Å
52G61.9Low73.7Confident38 Ų3852.8 Ų52.839%0.39229%0.288SS..G310 helixtrans-56.7-25.6-177.400000114.5S46 F54S46-G52 PolarHBondContact O-N 2.86Å; G52-F54 PolarHBondContact O-N 2.89Å; G52-F54 VanDerWaalsContact O-N 3.17Å
53S66.4Low73.4Confident72 Ų7254 Ų5450%0.50330%0.298SS..G310 helixtrans-68.9-3173.154.10000114.6K51 W196K51-S53 PolarHBondContact O-N 2.98Å; S53-W196 WeakPolarHBondContact O-CH2 3.33Å; S53-W196 WeakPolarHBondContact O-CZ3 3.34Å
54F67.4Low73.1Confident62 Ų6257.4 Ų57.427%0.27231%0.311SS..G310 helixtrans-107.410.5-174.8-67.9-95000114.1K51 G52 Y56 A57 W58K51-F54 HydrophobicContact CB-CB 4.42Å; K51-F54 HydrophobicContact CB-CD2 3.62Å; K51-F54 HydrophobicContact CB-CE2 4.27Å; K51-F54 HydrophobicContact CB-CG 4.32Å; K51-F54 HydrophobicContact CD-CD2 4.31Å; K51-F54 HydrophobicContact CD-CE2 4.42Å; K51-F54 HydrophobicContact CG-CD2 4.13Å; K51-F54 HydrophobicContact CG-CE2 4.31Å; K51-F54 WeakPolarHBondContact O-CB 3.34Å; K51-F54 WeakPolarHBondContact O-CD2 3.4Å; K51-F54 PolarHBondContact O-N 3.28Å; G52-F54 PolarHBondContact O-N 2.89Å; G52-F54 VanDerWaalsContact O-N 3.17Å; F54-Y56 VanDerWaalsContact C-N 3.27Å; F54-Y56 PolarHBondContact O-N 2.84Å; F54-A57 HydrophobicContact CB-CB 4.41Å; F54-A57 HydrophobicContact CD1-CB 4.24Å; F54-A57 PolarHBondContact O-N 3.37Å; F54-W58 HydrophobicContact CB-CE3 3.92Å; F54-W58 HydrophobicContact CB-CZ3 4.33Å; F54-W58 WeakPolarHBondContact O-CB 3.25Å; F54-W58 PolarHBondContact O-N 3.4Å
55K76.6Confident72.7Confident40 Ų4052.6 Ų52.617%0.17430%0.298CS..THydrogen-bonded Turntrans-50.5-40.8-172.369.7179175.2-179.50115.2E43 W196E43-K55 HydrophobicContact CB-CB 4.35Å; E43-K55 HydrophobicContact CG-CB 4.43Å; E43-K55 HydrophobicContact CG-CD 4.18Å; E43-K55 VanDerWaalsContact OE1-CD 3.24Å; E43-K55 WeakPolarHBondContact OE1-CD 3.24Å; E43-K55 IonicContact OE1-NZ 3.95Å; E43-K55 PolarHBondContact OE1-NZ 2.87Å; K55-W196 HydrophobicContact CD-CH2 4.39Å; K55-W196 HydrophobicContact CG-CH2 4.04Å; K55-W196 HydrophobicContact CG-CZ3 4.02Å
56Y78.5Confident72.7Confident20 Ų2050.5 Ų50.58%0.07829%0.288CS..THydrogen-bonded Turntrans-78.4-34.8178-61.5-53.1000112.7T22 H26 F29 F54 W58 V59 W196T22-Y56 HydrophobicContact CG2-CD2 4.15Å; H26-Y56 HydrophobicContact CB-CD1 4.31Å; H26-Y56 HydrophobicContact CB-CD2 3.95Å; H26-Y56 HydrophobicContact CB-CE2 4.18Å; H26-Y56 HydrophobicContact CB-CG 4.01Å; H26-Y56 AromaticContact CD2-CZ 3.91Å; H26-Y56 AromaticContact CE1-CE2 3.94Å; H26-Y56 AromaticContact CG-CE2 3.81Å; H26-Y56 AromaticContact CG-CZ 3.95Å; H26-Y56 AromaticContact ND1-CE2 3.62Å; F29-Y56 AromaticContact CD1-CE1 3.77Å; F29-Y56 HydrophobicContact CD1-CE1 3.77Å; F29-Y56 HydrophobicContact CE1-CE1 4.35Å; F29-Y56 HydrophobicContact CG-CE1 4.44Å; F54-Y56 VanDerWaalsContact C-N 3.27Å; F54-Y56 PolarHBondContact O-N 2.84Å; Y56-W58 VanDerWaalsContact C-N 3.3Å; Y56-W58 PolarHBondContact O-N 3.2Å; Y56-V59 WeakPolarHBondContact O-CB 3.46Å; Y56-V59 WeakPolarHBondContact O-CG2 3.5Å; Y56-V59 PolarHBondContact O-N 2.99Å; Y56-W196 HydrophobicContact CD2-CE3 4.19Å; Y56-W196 HydrophobicContact CD2-CZ3 4.27Å; Y56-W196 HydrophobicContact CE2-CE3 4.49Å
57A74.1Confident72.7Confident4 Ų452.9 Ų52.93%0.03330%0.297CS..Hα-helixtrans-66.6-35175.200000111.7F54 V59 L60 D61F54-A57 HydrophobicContact CB-CB 4.41Å; F54-A57 HydrophobicContact CD1-CB 4.24Å; F54-A57 PolarHBondContact O-N 3.37Å; A57-V59 PolarHBondContact O-N 3.03Å; A57-V59 VanDerWaalsContact O-N 3.14Å; A57-L60 PolarHBondContact O-N 2.84Å; A57-D61 PolarHBondContact O-N 2.83Å
58W76.2Confident72.8Confident4 Ų455.9 Ų55.92%0.01530%0.3CS..Hα-helixtrans-62.1-21.9179.7-142.8-88.3000114.4Y42 E45 M49 K51 F54 Y56 L60 R67Y42-W58 AromaticContact CD1-CD1 3.95Å; E45-W58 PolarHBondContact OE2-NE1 2.89Å; M49-W58 HydrophobicContact CB-CH2 3.98Å; M49-W58 HydrophobicContact CE-CH2 4.14Å; M49-W58 HydrophobicContact CE-CZ2 4.47Å; M49-W58 HydrophobicContact CG-CH2 4.24Å; M49-W58 HydrophobicContact CG-CZ2 4.35Å; M49-W58 HydrophobicContact SD-CH2 3.52Å; M49-W58 VanDerWaalsContact SD-CH2 3.52Å; M49-W58 HydrophobicContact SD-CZ2 3.41Å; M49-W58 WeakPolarHBondContact SD-CZ2 3.18Å; K51-W58 HydrophobicContact CB-CH2 4.36Å; K51-W58 HydrophobicContact CB-CZ3 3.75Å; K51-W58 HydrophobicContact CD-CH2 4.26Å; K51-W58 HydrophobicContact CD-CZ3 3.86Å; K51-W58 HydrophobicContact CG-CZ3 4.41Å; F54-W58 HydrophobicContact CB-CE3 3.92Å; F54-W58 HydrophobicContact CB-CZ3 4.33Å; F54-W58 WeakPolarHBondContact O-CB 3.25Å; F54-W58 PolarHBondContact O-N 3.4Å; Y56-W58 VanDerWaalsContact C-N 3.3Å; Y56-W58 PolarHBondContact O-N 3.2Å; W58-L60 VanDerWaalsContact C-N 3.3Å; W58-R67 HydrophobicContact CD2-CG 4.3Å; W58-R67 HydrophobicContact CH2-CB 3.97Å; W58-R67 HydrophobicContact CH2-CG 4.39Å; W58-R67 HydrophobicContact CZ2-CB 3.87Å; W58-R67 HydrophobicContact CZ2-CG 3.93Å
59V74.4Confident72.7Confident1 Ų157 Ų571%0.00630%0.298CS..Hα-helixtrans-62.4-41.3171.6175.30000110.4I34 I39 Y42 Y56 A57 W78I34-V59 HydrophobicContact CD1-CB 4.31Å; I34-V59 HydrophobicContact CD1-CG1 3.29Å; I34-V59 HydrophobicContact CD1-CG2 4.15Å; I34-V59 HydrophobicContact CG1-CG1 3.89Å; I39-V59 HydrophobicContact CG1-CG2 4.4Å; Y42-V59 HydrophobicContact CD2-CG2 3.95Å; Y42-V59 HydrophobicContact CE2-CG2 4.38Å; Y56-V59 WeakPolarHBondContact O-CB 3.46Å; Y56-V59 WeakPolarHBondContact O-CG2 3.5Å; Y56-V59 PolarHBondContact O-N 2.99Å; A57-V59 PolarHBondContact O-N 3.03Å; A57-V59 VanDerWaalsContact O-N 3.14Å; V59-W78 HydrophobicContact CG1-CH2 4.02Å; V59-W78 HydrophobicContact CG1-CZ2 4.02Å; V59-W78 VanDerWaalsContact O-CZ2 3.26Å; V59-W78 WeakPolarHBondContact O-CZ2 3.43Å
60L73.2Confident72.8Confident4 Ų453 Ų532%0.02128%0.281CS..Hα-helixtrans-89.4-42.4-173.2-53.8178000111.5S21 T24 I28 A57 W58 K62 A76 W78 D91S21-L60 WeakPolarHBondContact O-CD1 3.27Å; T24-L60 HydrophobicContact CG2-CD1 3.6Å; T24-L60 HydrophobicContact CG2-CD2 4.21Å; I28-L60 HydrophobicContact CD1-CD2 3.83Å; A57-L60 PolarHBondContact O-N 2.84Å; W58-L60 VanDerWaalsContact C-N 3.3Å; L60-K62 PolarHBondContact O-N 2.92Å; L60-A76 HydrophobicContact CB-CB 4.48Å; L60-W78 HydrophobicContact CD2-CD2 4.23Å; L60-W78 HydrophobicContact CD2-CG 3.92Å; L60-D91 HydrophobicContact CD1-CB 4.14Å; L60-D91 WeakPolarHBondContact CD1-OD2 3.17Å
61D74.9Confident73.2Confident4 Ų451.1 Ų51.12%0.02125%0.254CS..  trans-75.294.1-176.9-69.1-19000110.5A57 E66 R67 T72A57-D61 PolarHBondContact O-N 2.83Å; D61-E66 WeakPolarHBondContact CA-OE2 3.31Å; D61-E66 HydrophobicContact CB-CB 3.74Å; D61-R67 HydrophobicContact CB-CG 4.37Å; D61-R67 WeakPolarHBondContact O-CG 3.32Å; D61-R67 PolarHBondContact O-NE 2.98Å; D61-T72 PolarHBondContact OD1-OG1 2.94Å
62K73.9Confident73.4Confident139 Ų13949.5 Ų49.560%0.60425%0.248SC*.  trans-91.5-28.1-177.7-70.2-176.9-177176.10112.6L60 E66L60-K62 PolarHBondContact O-N 2.92Å; K62-E66 PolarHBondContact N-OE2 2.86Å
63L73Confident73.6Confident78 Ų7848.9 Ų48.941%0.40824%0.235SC..SBendtrans-75.3139.1-178.5-59.9174.2000110A65 E66 R67 I73 D74L63-A65 PolarHBondContact O-N 3.39Å; L63-E66 HydrophobicContact CB-CB 4.22Å; L63-E66 HydrophobicContact CB-CG 3.82Å; L63-E66 WeakPolarHBondContact CB-OE2 3.49Å; L63-E66 HydrophobicContact CD1-CG 4.26Å; L63-E66 HydrophobicContact CG-CG 4.4Å; L63-E66 PolarHBondContact N-OE2 3.32Å; L63-E66 WeakPolarHBondContact O-CB 3.31Å; L63-E66 PolarHBondContact O-N 3.08Å; L63-R67 PolarHBondContact O-N 2.96Å; L63-R67 VanDerWaalsContact O-N 3.1Å; L63-I73 HydrophobicContact CD1-CB 4.38Å; L63-I73 HydrophobicContact CD1-CG2 4.33Å; L63-D74 HydrophobicContact CD1-CB 4.06Å
64K69.8Low73.7Confident156 Ų15649.1 Ų49.168%0.67823%0.231SC*.Hα-helixtrans-53.5-40.9173.7-179173.2170.91760111.5E66 R67 E68K64-E66 VanDerWaalsContact C-N 3.35Å; K64-E66 PolarHBondContact O-N 3.39Å; K64-R67 PolarHBondContact O-N 3.21Å; K64-E68 WeakPolarHBondContact CE-OE1 3.36Å; K64-E68 HydrophobicContact CG-CG 4.35Å; K64-E68 IonicContact NZ-OE1 2.98Å; K64-E68 WeakPolarHBondContact O-CB 3.39Å; K64-E68 VanDerWaalsContact O-CG 3.32Å; K64-E68 WeakPolarHBondContact O-CG 3.47Å; K64-E68 PolarHBondContact O-N 3.34Å
65A71Confident73.8Confident39 Ų3948 Ų4832%0.32223%0.228SC..Hα-helixtrans-65.7-32.217700000113.7L63 R69 I73L63-A65 PolarHBondContact O-N 3.39Å; A65-R69 WeakPolarHBondContact O-CB 3.26Å; A65-R69 WeakPolarHBondContact O-CG 3.18Å; A65-R69 PolarHBondContact O-N 2.77Å; A65-R69 VanDerWaalsContact O-N 3.16Å; A65-I73 HydrophobicContact CB-CD1 3.74Å
66E77.8Confident73.6Confident7 Ų746.8 Ų46.83%0.03323%0.225CC..Hα-helixtrans-66.7-51.3174.1-71.2170.9149.500109.8D61 K62 L63 K64 E68 R69 G70 I71 I73 D74D61-E66 WeakPolarHBondContact CA-OE2 3.31Å; D61-E66 HydrophobicContact CB-CB 3.74Å; K62-E66 PolarHBondContact N-OE2 2.86Å; L63-E66 HydrophobicContact CB-CB 4.22Å; L63-E66 HydrophobicContact CB-CG 3.82Å; L63-E66 WeakPolarHBondContact CB-OE2 3.49Å; L63-E66 HydrophobicContact CD1-CG 4.26Å; L63-E66 HydrophobicContact CG-CG 4.4Å; L63-E66 PolarHBondContact N-OE2 3.32Å; L63-E66 WeakPolarHBondContact O-CB 3.31Å; L63-E66 PolarHBondContact O-N 3.08Å; K64-E66 VanDerWaalsContact C-N 3.35Å; K64-E66 PolarHBondContact O-N 3.39Å; E66-E68 PolarHBondContact O-N 2.95Å; E66-R69 PolarHBondContact O-N 2.75Å; E66-G70 WeakPolarHBondContact O-CA 3.32Å; E66-G70 PolarHBondContact O-N 3.03Å; E66-I71 VanDerWaalsContact CA-O 3.29Å; E66-I71 WeakPolarHBondContact CA-O 3.46Å; E66-I71 WeakPolarHBondContact CB-O 3.22Å; E66-I71 WeakPolarHBondContact CG-O 2.93Å; E66-I71 PolarHBondContact O-N 2.82Å; E66-I73 HydrophobicContact CG-CB 3.59Å; E66-I73 HydrophobicContact CG-CD1 3.86Å; E66-I73 HydrophobicContact CG-CG1 3.61Å; E66-I73 PolarHBondContact OE1-N 2.89Å; E66-D74 PolarHBondContact OE1-N 2.89Å
67R77.1Confident73.5Confident50 Ų5050 Ų5019%0.18924%0.243CC..Hα-helixtrans-60.6-42179.5-66.1176.2178-155.3-10112.7E45 K51 W58 D61 L63 K64E45-R67 IonicContact OE2-CZ 3.53Å; E45-R67 IonicContact OE2-NH1 3.99Å; E45-R67 PolarHBondContact OE2-NH1 3.19Å; K51-R67 PolarHBondContact NZ-O 3.44Å; W58-R67 HydrophobicContact CD2-CG 4.3Å; W58-R67 HydrophobicContact CH2-CB 3.97Å; W58-R67 HydrophobicContact CH2-CG 4.39Å; W58-R67 HydrophobicContact CZ2-CB 3.87Å; W58-R67 HydrophobicContact CZ2-CG 3.93Å; D61-R67 HydrophobicContact CB-CG 4.37Å; D61-R67 WeakPolarHBondContact O-CG 3.32Å; D61-R67 PolarHBondContact O-NE 2.98Å; L63-R67 PolarHBondContact O-N 2.96Å; L63-R67 VanDerWaalsContact O-N 3.1Å; K64-R67 PolarHBondContact O-N 3.21Å
68E76.7Confident73.9Confident106 Ų10652 Ų5250%0.49525%0.25SC..Hα-helixtrans-66.6-41178-77.517617300112.5K51 K64 E66K51-E68 VanDerWaalsContact NZ-C 3.26Å; K51-E68 PolarHBondContact NZ-O 3.2Å; K64-E68 WeakPolarHBondContact CE-OE1 3.36Å; K64-E68 HydrophobicContact CG-CG 4.35Å; K64-E68 IonicContact NZ-OE1 2.98Å; K64-E68 WeakPolarHBondContact O-CB 3.39Å; K64-E68 VanDerWaalsContact O-CG 3.32Å; K64-E68 WeakPolarHBondContact O-CG 3.47Å; K64-E68 PolarHBondContact O-N 3.34Å; E66-E68 PolarHBondContact O-N 2.95Å
69R76.2Confident74.2Confident164 Ų16455.7 Ų55.762%0.61927%0.266SS*.Hα-helixtrans-86.2-19.9-178.5-66180-178.9-168.60113.7A65 E66 I71A65-R69 WeakPolarHBondContact O-CB 3.26Å; A65-R69 WeakPolarHBondContact O-CG 3.18Å; A65-R69 PolarHBondContact O-N 2.77Å; A65-R69 VanDerWaalsContact O-N 3.16Å; E66-R69 PolarHBondContact O-N 2.75Å; R69-I71 VanDerWaalsContact C-N 3.3Å; R69-I71 HydrophobicContact CB-CD1 4.19Å; R69-I71 HydrophobicContact CB-CG1 3.8Å
70G73.3Confident74.8Confident13 Ų1355.9 Ų55.913%0.13427%0.267CS..THydrogen-bonded Turntrans69.427-172.800000113.3E66E66-G70 WeakPolarHBondContact O-CA 3.32Å; E66-G70 PolarHBondContact O-N 3.03Å
71I77.9Confident75.4Confident32 Ų3260 Ų6016%0.16429%0.288CS..SBendtrans-132.6140.1178.667.5-178.2000109.9V16 E66 R69 I73 H95 F98V16-I71 HydrophobicContact CG1-CG2 4.19Å; E66-I71 VanDerWaalsContact CA-O 3.29Å; E66-I71 WeakPolarHBondContact CA-O 3.46Å; E66-I71 WeakPolarHBondContact CB-O 3.22Å; E66-I71 WeakPolarHBondContact CG-O 2.93Å; E66-I71 PolarHBondContact O-N 2.82Å; R69-I71 VanDerWaalsContact C-N 3.3Å; R69-I71 HydrophobicContact CB-CD1 4.19Å; R69-I71 HydrophobicContact CB-CG1 3.8Å; I71-I73 HydrophobicContact CG1-CG1 4.39Å; I71-H95 HydrophobicContact CD1-CB 4.37Å; I71-F98 HydrophobicContact CD1-CE2 4.12Å
72T70.3Confident76.1Confident7 Ų760.1 Ų60.14%0.04329%0.289CS..  trans-69.5132.5170.6-510000110.4S21 D61 D74 P93S21-T72 PolarHBondContact OG-OG1 2.87Å; D61-T72 PolarHBondContact OD1-OG1 2.94Å; T72-D74 VanDerWaalsContact CG2-O 3.28Å; T72-D74 WeakPolarHBondContact CG2-O 3.34Å; T72-P93 WeakPolarHBondContact O-CB 3.31Å
73I66.8Low76.7Confident24 Ų2461 Ų6112%0.12330%0.296CS..  trans-112.9-47.8-175.4-67.2177.4000109.8L63 A65 E66 I71 F98 N101L63-I73 HydrophobicContact CD1-CB 4.38Å; L63-I73 HydrophobicContact CD1-CG2 4.33Å; A65-I73 HydrophobicContact CB-CD1 3.74Å; E66-I73 HydrophobicContact CG-CB 3.59Å; E66-I73 HydrophobicContact CG-CD1 3.86Å; E66-I73 HydrophobicContact CG-CG1 3.61Å; E66-I73 PolarHBondContact OE1-N 2.89Å; I71-I73 HydrophobicContact CG1-CG1 4.39Å; I73-F98 HydrophobicContact CB-CD2 4.38Å; I73-F98 HydrophobicContact CB-CE1 4.5Å; I73-F98 HydrophobicContact CB-CE2 4.21Å; I73-F98 HydrophobicContact CB-CZ 4.26Å; I73-F98 HydrophobicContact CD1-CE2 4.49Å; I73-F98 HydrophobicContact CD1-CZ 4.25Å; I73-F98 HydrophobicContact CG1-CD2 4.24Å; I73-F98 HydrophobicContact CG1-CE1 4.5Å; I73-F98 HydrophobicContact CG1-CE2 3.66Å; I73-F98 HydrophobicContact CG1-CZ 3.8Å; I73-F98 HydrophobicContact CG2-CD1 3.92Å; I73-F98 HydrophobicContact CG2-CD2 4.44Å; I73-F98 HydrophobicContact CG2-CE1 3.65Å; I73-F98 HydrophobicContact CG2-CE2 4.23Å; I73-F98 HydrophobicContact CG2-CG 4.33Å; I73-F98 HydrophobicContact CG2-CZ 3.83Å; I73-N101 PolarHBondContact O-ND2 2.92Å
74D69Low77.5Confident78 Ų7861.1 Ų61.142%0.41730%0.297SS..SBendtrans-110.5165.3-179.1-149.81.8000111.6L63 E66 T72 N101L63-D74 HydrophobicContact CD1-CB 4.06Å; E66-D74 PolarHBondContact OE1-N 2.89Å; T72-D74 VanDerWaalsContact CG2-O 3.28Å; T72-D74 WeakPolarHBondContact CG2-O 3.34Å; D74-N101 PolarHBondContact OD1-ND2 3.06Å
75I68.3Low78.5Confident39 Ų3955.1 Ų55.120%0.227%0.27CS..  trans-76.3131.1178.1-65.9158.8000109.8L77 I90 D91 N101I75-L77 HydrophobicContact CG2-CD2 4.18Å; I75-I90 HydrophobicContact CG2-CG2 3.33Å; I75-D91 WeakPolarHBondContact CA-O 3.38Å; I75-N101 HydrophobicContact CD1-CB 4.42Å; I75-N101 WeakPolarHBondContact CD1-O 3.34Å; I75-N101 HydrophobicContact CG1-CB 4.31Å
76A73.4Confident79.3Confident14 Ų1457.2 Ų57.212%0.11627%0.272CS..EExtended strand (participates in β ladder)trans-106.5128168.800000110.5L60 D91L60-A76 HydrophobicContact CB-CB 4.48Å; A76-D91 HydrophobicContact CB-CB 4.36Å; A76-D91 PolarHBondContact N-O 3.34Å; A76-D91 PolarHBondContact O-N 2.94Å
77L75.9Confident79.8Confident88 Ų8857 Ų5746%0.46127%0.271SS..EExtended strand (participates in β ladder)trans-99.1122.8174.2-61.8177.5000109.9I75 T88 V89 I90I75-L77 HydrophobicContact CG2-CD2 4.18Å; L77-T88 HydrophobicContact CD2-CG2 4.22Å; L77-V89 WeakPolarHBondContact CA-O 3.41Å; L77-I90 HydrophobicContact CD2-CB 4.18Å; L77-I90 HydrophobicContact CD2-CD1 4.34Å; L77-I90 HydrophobicContact CD2-CG1 3.68Å; L77-I90 HydrophobicContact CD2-CG2 4.05Å
78W82.2Confident80.3Confident46 Ų4654.7 Ų54.717%0.17426%0.262CS..EExtended strand (participates in β ladder)trans-134.5163.8178.8-71.889.5000111.2I28 I34 V59 L60 T88 V89I28-W78 HydrophobicContact CD1-CB 3.41Å; I28-W78 VanDerWaalsContact CD1-CB 3.41Å; I28-W78 HydrophobicContact CD1-CD2 4.2Å; I28-W78 HydrophobicContact CD1-CG 3.66Å; I28-W78 HydrophobicContact CG1-CB 4.19Å; I28-W78 HydrophobicContact CG2-CE3 4.36Å; I34-W78 HydrophobicContact CG1-CZ3 4.11Å; V59-W78 HydrophobicContact CG1-CH2 4.02Å; V59-W78 HydrophobicContact CG1-CZ2 4.02Å; V59-W78 VanDerWaalsContact O-CZ2 3.26Å; V59-W78 WeakPolarHBondContact O-CZ2 3.43Å; L60-W78 HydrophobicContact CD2-CD2 4.23Å; L60-W78 HydrophobicContact CD2-CG 3.92Å; W78-T88 CarbonylContact O-C 3.47Å; W78-T88 VanDerWaalsContact O-CA 3.28Å; W78-T88 WeakPolarHBondContact O-CA 3.48Å; W78-V89 PolarHBondContact N-O 2.76Å; W78-V89 PolarHBondContact O-N 2.88Å
79K83.2Confident80.8Confident80 Ų8049.8 Ų49.835%0.34824%0.24SC..EExtended strand (participates in β ladder)trans-134.5150.9-179.8-62.3-174.1-174.5176.70113.6V87 H299K79-V87 WeakPolarHBondContact CA-O 3.44Å; K79-H299 WeakPolarHBondContact CE-CE1 3.31Å; K79-H299 WeakPolarHBondContact CE-ND1 3.25Å; K79-H299 WeakPolarHBondContact CE-NE2 3.39Å; K79-H299 PolarHBondContact NZ-CD2 3.06Å; K79-H299 PolarHBondContact NZ-CE1 2.8Å; K79-H299 PolarHBondContact NZ-ND1 3.01Å; K79-H299 PolarHBondContact NZ-NE2 3.42Å
80F86.5Confident81.3Confident6 Ų642 Ų423%0.02621%0.21CC..EExtended strand (participates in β ladder)trans-153.6167.1163.563-95.9000109.7L27 I28 C31 T82 V87 V89 L233 L236L27-F80 HydrophobicContact CD2-CE1 3.62Å; L27-F80 HydrophobicContact CD2-CE2 4.44Å; L27-F80 HydrophobicContact CD2-CZ 3.54Å; L27-F80 HydrophobicContact CG-CE1 4.01Å; L27-F80 HydrophobicContact CG-CZ 4.06Å; I28-F80 HydrophobicContact CG1-CD1 4.23Å; C31-F80 HydrophobicContact CB-CB 3.56Å; C31-F80 HydrophobicContact CB-CD2 4.02Å; C31-F80 HydrophobicContact CB-CG 3.95Å; F80-T82 HydrophobicContact CD2-CG2 4.26Å; F80-T82 HydrophobicContact CE2-CG2 3.67Å; F80-V87 HydrophobicContact CD1-CB 4.49Å; F80-V87 HydrophobicContact CD2-CB 4.2Å; F80-V87 HydrophobicContact CD2-CG2 4.36Å; F80-V87 HydrophobicContact CE1-CB 4.2Å; F80-V87 HydrophobicContact CE1-CG1 3.94Å; F80-V87 HydrophobicContact CE2-CB 3.83Å; F80-V87 HydrophobicContact CE2-CG1 4.21Å; F80-V87 HydrophobicContact CE2-CG2 3.78Å; F80-V87 HydrophobicContact CG-CB 4.49Å; F80-V87 HydrophobicContact CZ-CB 3.81Å; F80-V87 HydrophobicContact CZ-CG1 3.67Å; F80-V87 HydrophobicContact CZ-CG2 4.07Å; F80-V87 PolarHBondContact N-O 2.98Å; F80-V87 VanDerWaalsContact N-O 3.14Å; F80-V87 PolarHBondContact O-N 2.72Å; F80-V89 HydrophobicContact CD1-CG2 3.94Å; F80-V89 HydrophobicContact CE1-CG2 3.28Å; F80-V89 HydrophobicContact CZ-CG2 4.17Å; F80-L233 HydrophobicContact CE2-CD1 3.99Å; F80-L236 HydrophobicContact CZ-CD1 4.16Å
81D87.2Confident81.7Confident90 Ų9041.4 Ų41.448%0.48120%0.204SC..EExtended strand (participates in β ladder)trans-103.1136.7176.8-69-8.7000110
82T88.4Confident81.7Confident7 Ų739.9 Ų39.94%0.04320%0.197CC..  trans-96.5-170.8163.468.70000109.5K5 F80 N84 Y85 V87 L233 D237K5-T82 PolarHBondContact NZ-O 3.46Å; F80-T82 HydrophobicContact CD2-CG2 4.26Å; F80-T82 HydrophobicContact CE2-CG2 3.67Å; T82-N84 VanDerWaalsContact C-N 3.34Å; T82-N84 PolarHBondContact OG1-N 3.22Å; T82-Y85 PolarHBondContact N-O 3.45Å; T82-Y85 PolarHBondContact OG1-N 2.91Å; T82-Y85 PolarHBondContact OG1-O 3.36Å; T82-V87 HydrophobicContact CG2-CG2 3.59Å; T82-L233 HydrophobicContact CG2-CD1 3.85Å; T82-D237 WeakPolarHBondContact CB-OD1 3.36Å; T82-D237 HydrophobicContact CG2-CB 4.46Å; T82-D237 PolarHBondContact OG1-OD1 3.11Å
83Q87.4Confident82.1Confident157 Ų15739.6 Ų39.673%0.73419%0.194SC*.SBendtrans-61.6-45.2173.2-175173.31.100111.1K5 D237K5-Q83 VanDerWaalsContact CE-O 3.25Å; K5-Q83 WeakPolarHBondContact CE-O 3.14Å; Q83-D237 PolarHBondContact N-OD1 3.35Å
84N89.2Confident82.2Confident80 Ų8038.7 Ų38.743%0.42819%0.191SC..SBendtrans-103.6-22.8-172-65.7-51.2000114.8K5 T82 D237K5-N84 WeakPolarHBondContact CB-O 3.43Å; T82-N84 VanDerWaalsContact C-N 3.34Å; T82-N84 PolarHBondContact OG1-N 3.22Å; N84-D237 WeakPolarHBondContact CB-OD1 3.42Å; N84-D237 PolarHBondContact N-OD1 3.48Å; N84-D237 PolarHBondContact ND2-OD2 2.86Å
85Y89.9Confident82.4Confident30 Ų3037.8 Ų37.812%0.11818%0.184CC..EExtended strand (participates in β ladder)trans-129.1154.2-168.9-57.2-64.2000114.3E6 I8 T82 D237 M239 P241E6-Y85 HydrophobicContact CB-CD1 3.92Å; E6-Y85 HydrophobicContact CB-CE1 4.07Å; E6-Y85 CarbonylContact O-C 3.45Å; E6-Y85 VanDerWaalsContact O-CA 3.29Å; E6-Y85 WeakPolarHBondContact O-CA 3.47Å; I8-Y85 HydrophobicContact CG2-CD2 4.48Å; I8-Y85 HydrophobicContact CG2-CG 4.13Å; T82-Y85 PolarHBondContact N-O 3.45Å; T82-Y85 PolarHBondContact OG1-N 2.91Å; T82-Y85 PolarHBondContact OG1-O 3.36Å; Y85-D237 VanDerWaalsContact CE2-O 3.31Å; Y85-D237 WeakPolarHBondContact CE2-O 3.26Å; Y85-M239 WeakPolarHBondContact CE2-O 3.49Å; Y85-M239 PolarHBondContact OH-O 3.37Å; Y85-P241 HydrophobicContact CD1-CG 4.24Å; Y85-P241 HydrophobicContact CE1-CG 3.71Å; Y85-P241 WeakPolarHBondContact OH-CD 3.4Å
86K88Confident82.5Confident84 Ų8439.2 Ų39.237%0.36519%0.187SC..EExtended strand (participates in β ladder)trans-90.3112.9156.6-71.5178179.1176.40107.5K5 E6 H7 I8K5-K86 HydrophobicContact CB-CG 4.08Å; E6-K86 PolarHBondContact O-N 3.28Å; H7-K86 WeakPolarHBondContact CA-O 3.44Å; H7-K86 PolarHBondContact ND1-O 3.36Å; I8-K86 PolarHBondContact N-O 3.14Å
87V88.8Confident82.3Confident1 Ų141.7 Ų41.71%0.00620%0.199CC..EExtended strand (participates in β ladder)trans-96126.9-176.7-178.40000109.6I8 I10 K79 F80 T82 V89I8-V87 HydrophobicContact CG2-CB 4.3Å; I8-V87 HydrophobicContact CG2-CG1 4.41Å; I8-V87 HydrophobicContact CG2-CG2 3.73Å; I8-V87 WeakPolarHBondContact O-CA 3.42Å; I10-V87 HydrophobicContact CB-CG1 4.34Å; I10-V87 HydrophobicContact CD1-CG1 3.59Å; I10-V87 HydrophobicContact CD1-CG2 4.48Å; I10-V87 HydrophobicContact CG1-CG1 3.88Å; K79-V87 WeakPolarHBondContact CA-O 3.44Å; F80-V87 HydrophobicContact CD1-CB 4.49Å; F80-V87 HydrophobicContact CD2-CB 4.2Å; F80-V87 HydrophobicContact CD2-CG2 4.36Å; F80-V87 HydrophobicContact CE1-CB 4.2Å; F80-V87 HydrophobicContact CE1-CG1 3.94Å; F80-V87 HydrophobicContact CE2-CB 3.83Å; F80-V87 HydrophobicContact CE2-CG1 4.21Å; F80-V87 HydrophobicContact CE2-CG2 3.78Å; F80-V87 HydrophobicContact CG-CB 4.49Å; F80-V87 HydrophobicContact CZ-CB 3.81Å; F80-V87 HydrophobicContact CZ-CG1 3.67Å; F80-V87 HydrophobicContact CZ-CG2 4.07Å; F80-V87 PolarHBondContact N-O 2.98Å; F80-V87 VanDerWaalsContact N-O 3.14Å; F80-V87 PolarHBondContact O-N 2.72Å; T82-V87 HydrophobicContact CG2-CG2 3.59Å; V87-V89 HydrophobicContact CG1-CG2 3.93Å
88T87.1Confident82Confident2 Ų239 Ų391%0.01218%0.183CC..EExtended strand (participates in β ladder)trans-98.1116.5159.8-650000108.8H7 I8 N9 I10 L77 W78H7-T88 PolarHBondContact CE1-OG1 3.24Å; H7-T88 PolarHBondContact NE2-OG1 3.36Å; I8-T88 PolarHBondContact O-N 3.38Å; N9-T88 CarbonylContact C-O 3.58Å; N9-T88 WeakPolarHBondContact CA-O 3.45Å; N9-T88 WeakPolarHBondContact OD1-CB 3.46Å; I10-T88 PolarHBondContact N-O 3.38Å; L77-T88 HydrophobicContact CD2-CG2 4.22Å; W78-T88 CarbonylContact O-C 3.47Å; W78-T88 VanDerWaalsContact O-CA 3.28Å; W78-T88 WeakPolarHBondContact O-CA 3.48Å
89V87.8Confident81.5Confident3 Ų336.8 Ų36.82%0.01818%0.175CC..EExtended strand (participates in β ladder)trans-90.2132.8171.7-172.50000110.4I10 V12 T24 L77 W78 F80 V87I10-V89 CarbonylContact O-C 3.59Å; I10-V89 WeakPolarHBondContact O-CA 3.11Å; V12-V89 HydrophobicContact CG2-CG1 3.46Å; V12-V89 VanDerWaalsContact CG2-CG1 3.46Å; T24-V89 HydrophobicContact CG2-CB 4.43Å; T24-V89 HydrophobicContact CG2-CG1 3.65Å; L77-V89 WeakPolarHBondContact CA-O 3.41Å; W78-V89 PolarHBondContact N-O 2.76Å; W78-V89 PolarHBondContact O-N 2.88Å; F80-V89 HydrophobicContact CD1-CG2 3.94Å; F80-V89 HydrophobicContact CE1-CG2 3.28Å; F80-V89 HydrophobicContact CZ-CG2 4.17Å; V87-V89 HydrophobicContact CG1-CG2 3.93Å
90I86.7Confident80.8Confident0 Ų037.9 Ų37.90%018%0.179CC..EExtended strand (participates in β ladder)trans-110.396.8176.6-48.1-176.9000106.4N9 I10 V11 V12 I75 L77 A92 G105 Q108N9-I90 HydrophobicContact CB-CD1 4.39Å; I10-I90 PolarHBondContact O-N 3.15Å; V11-I90 WeakPolarHBondContact CA-O 3.41Å; V11-I90 HydrophobicContact CB-CB 4.32Å; V11-I90 HydrophobicContact CG2-CB 4.31Å; V11-I90 HydrophobicContact CG2-CG2 4.34Å; V12-I90 PolarHBondContact N-O 3.39Å; I75-I90 HydrophobicContact CG2-CG2 3.33Å; L77-I90 HydrophobicContact CD2-CB 4.18Å; L77-I90 HydrophobicContact CD2-CD1 4.34Å; L77-I90 HydrophobicContact CD2-CG1 3.68Å; L77-I90 HydrophobicContact CD2-CG2 4.05Å; I90-A92 PolarHBondContact O-N 3.17Å; I90-G105 WeakPolarHBondContact CD1-O 3.37Å; I90-Q108 HydrophobicContact CD1-CB 3.73Å
91D82.5Confident80.1Confident1 Ų138.2 Ų38.21%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-75.1115174.8-167.137.1000108.7S21 T24 L60 I75 A76S21-D91 PolarHBondContact OG-OD2 3.47Å; T24-D91 HydrophobicContact CG2-CB 4.48Å; L60-D91 HydrophobicContact CD1-CB 4.14Å; L60-D91 WeakPolarHBondContact CD1-OD2 3.17Å; I75-D91 WeakPolarHBondContact CA-O 3.38Å; A76-D91 HydrophobicContact CB-CB 4.36Å; A76-D91 PolarHBondContact N-O 3.34Å; A76-D91 PolarHBondContact O-N 2.94Å
92A77.8Confident79.7Confident1 Ų133.9 Ų33.91%0.00816%0.159CC..  trans-104.5143-176.300000111.2V11 V12 I13 K20 I90 G94 M102V11-A92 HydrophobicContact CG2-CB 3.76Å; V12-A92 WeakPolarHBondContact O-CB 3.38Å; V12-A92 PolarHBondContact O-N 3.45Å; I13-A92 HydrophobicContact CG2-CB 4.45Å; K20-A92 WeakPolarHBondContact CE-O 3.3Å; I90-A92 PolarHBondContact O-N 3.17Å; A92-G94 PolarHBondContact O-N 3.22Å; A92-M102 HydrophobicContact CB-CB 4.17Å; A92-M102 HydrophobicContact CB-CG 3.86Å
93P77.6Confident79Confident0 Ų033.6 Ų33.60%016%0.157CC..  trans-65.7140.8-176.728.4-36.5000111.4T72 F98 N101 M102T72-P93 WeakPolarHBondContact O-CB 3.31Å; P93-F98 HydrophobicContact CB-CB 3.63Å; P93-F98 HydrophobicContact CB-CD2 4.4Å; P93-F98 HydrophobicContact CB-CG 4.42Å; P93-F98 HydrophobicContact CG-CB 3.53Å; P93-F98 VanDerWaalsContact CG-O 3.32Å; P93-F98 WeakPolarHBondContact CG-O 3.47Å; P93-N101 HydrophobicContact CG-CB 3.91Å; P93-M102 HydrophobicContact CG-CB 4.39Å
94G68.7Low78.3Confident5 Ų526.5 Ų26.55%0.05212%0.124CC..  trans-77.1-34.9175.700000112.7A92 Q132A92-G94 PolarHBondContact O-N 3.22Å; G94-Q132 PolarHBondContact O-NE2 2.98Å; G94-Q132 PolarHBondContact O-OE1 2.91Å
95H73.5Confident77.5Confident60 Ų6022.7 Ų22.728%0.27810%0.104SC..SBendtrans-73.1143.6-164.8-166.3-90.9000113.2V16 I71 D97 F98V16-H95 HydrophobicContact CG2-CB 4.27Å; I71-H95 HydrophobicContact CD1-CB 4.37Å; H95-D97 IonicContact CE1-OD2 3.47Å; H95-D97 PolarHBondContact CE1-OD2 3.5Å; H95-D97 VanDerWaalsContact CE1-OD2 3.28Å; H95-D97 WeakPolarHBondContact ND1-CB 3.43Å; H95-D97 PolarHBondContact ND1-N 2.81Å; H95-D97 IonicContact ND1-OD2 3.68Å; H95-D97 PolarHBondContact O-N 2.95Å; H95-D97 VanDerWaalsContact O-N 3.16Å; H95-F98 HydrophobicContact CB-CD2 3.81Å; H95-F98 HydrophobicContact CB-CE2 4.19Å; H95-F98 PolarHBondContact O-N 3.44Å
96R71.4Confident77.1Confident68 Ų6821.3 Ų21.326%0.25710%0.099SC..G310 helixtrans-56.6-36.2-175.8-69.6-175.4174.4-173.6-8.1113.4F98 I99 N130 Q132R96-F98 PolarHBondContact O-N 3.03Å; R96-I99 HydrophobicContact CB-CD1 4.39Å; R96-I99 WeakPolarHBondContact O-CG1 3.25Å; R96-I99 PolarHBondContact O-N 2.87Å; R96-N130 PolarHBondContact NH2-O 3.45Å; R96-N130 PolarHBondContact NH2-OD1 2.89Å; R96-Q132 HydrophobicContact CG-CG 4.34Å
97D68.3Low76.4Confident67 Ų6718.3 Ų18.336%0.3589%0.088SC..G310 helixtrans-63-23.1179.5-68.8-15.7000113.1H95 K434H95-D97 IonicContact CE1-OD2 3.47Å; H95-D97 PolarHBondContact CE1-OD2 3.5Å; H95-D97 VanDerWaalsContact CE1-OD2 3.28Å; H95-D97 WeakPolarHBondContact ND1-CB 3.43Å; H95-D97 PolarHBondContact ND1-N 2.81Å; H95-D97 IonicContact ND1-OD2 3.68Å; H95-D97 PolarHBondContact O-N 2.95Å; H95-D97 VanDerWaalsContact O-N 3.16Å; D97-K434 VanDerWaalsContact OD1-CD 3.27Å; D97-K434 WeakPolarHBondContact OD1-CD 3.3Å; D97-K434 VanDerWaalsContact OD1-CE 3.3Å; D97-K434 WeakPolarHBondContact OD1-CE 3.36Å; D97-K434 IonicContact OD1-NZ 3.88Å; D97-K434 PolarHBondContact OD1-NZ 3.33Å; D97-K434 IonicContact OD2-NZ 3.6Å
98F69.9Low75.5Confident31 Ų3118.6 Ų18.614%0.1369%0.089CC..G310 helixtrans-11214.8-174.2-50.3-56.6000113.3I71 I73 P93 H95 R96 K100 N101 M102I71-F98 HydrophobicContact CD1-CE2 4.12Å; I73-F98 HydrophobicContact CB-CD2 4.38Å; I73-F98 HydrophobicContact CB-CE1 4.5Å; I73-F98 HydrophobicContact CB-CE2 4.21Å; I73-F98 HydrophobicContact CB-CZ 4.26Å; I73-F98 HydrophobicContact CD1-CE2 4.49Å; I73-F98 HydrophobicContact CD1-CZ 4.25Å; I73-F98 HydrophobicContact CG1-CD2 4.24Å; I73-F98 HydrophobicContact CG1-CE1 4.5Å; I73-F98 HydrophobicContact CG1-CE2 3.66Å; I73-F98 HydrophobicContact CG1-CZ 3.8Å; I73-F98 HydrophobicContact CG2-CD1 3.92Å; I73-F98 HydrophobicContact CG2-CD2 4.44Å; I73-F98 HydrophobicContact CG2-CE1 3.65Å; I73-F98 HydrophobicContact CG2-CE2 4.23Å; I73-F98 HydrophobicContact CG2-CG 4.33Å; I73-F98 HydrophobicContact CG2-CZ 3.83Å; P93-F98 HydrophobicContact CB-CB 3.63Å; P93-F98 HydrophobicContact CB-CD2 4.4Å; P93-F98 HydrophobicContact CB-CG 4.42Å; P93-F98 HydrophobicContact CG-CB 3.53Å; P93-F98 VanDerWaalsContact CG-O 3.32Å; P93-F98 WeakPolarHBondContact CG-O 3.47Å; H95-F98 HydrophobicContact CB-CD2 3.81Å; H95-F98 HydrophobicContact CB-CE2 4.19Å; H95-F98 PolarHBondContact O-N 3.44Å; R96-F98 PolarHBondContact O-N 3.03Å; F98-K100 PolarHBondContact O-N 3.44Å; F98-K100 VanDerWaalsContact O-N 3.08Å; F98-N101 WeakPolarHBondContact O-CB 3.31Å; F98-N101 PolarHBondContact O-N 2.82Å; F98-M102 PolarHBondContact O-N 3.09Å
99I71.5Confident75.5Confident0 Ų019 Ų190%09%0.093CC..Hα-helixtrans-55.7-29.4175.4-71.4170.1000112R96 N101 M102 I103 E135 L139 R431R96-I99 HydrophobicContact CB-CD1 4.39Å; R96-I99 WeakPolarHBondContact O-CG1 3.25Å; R96-I99 PolarHBondContact O-N 2.87Å; I99-N101 PolarHBondContact O-N 3.17Å; I99-M102 WeakPolarHBondContact O-CB 3.43Å; I99-M102 PolarHBondContact O-N 3.22Å; I99-M102 VanDerWaalsContact O-N 3.15Å; I99-I103 HydrophobicContact CG2-CD1 3.82Å; I99-I103 HydrophobicContact CG2-CG1 4.14Å; I99-I103 WeakPolarHBondContact O-CG1 3.24Å; I99-I103 PolarHBondContact O-N 3.43Å; I99-E135 WeakPolarHBondContact CD1-OE2 3.29Å; I99-L139 HydrophobicContact CG2-CD1 3.88Å; I99-R431 VanDerWaalsContact CB-CZ 3.49Å
100K69.2Low75.5Confident102 Ų10219.2 Ų19.244%0.4439%0.094SC..Hα-helixtrans-57.8-3917575.4179.9-175.1174.40111.7F98 T104F98-K100 PolarHBondContact O-N 3.44Å; F98-K100 VanDerWaalsContact O-N 3.08Å; K100-T104 PolarHBondContact O-N 3.23Å; K100-T104 PolarHBondContact O-OG1 2.67Å
101N71.7Confident75.8Confident13 Ų1319.2 Ų19.27%0.079%0.094CC..Hα-helixtrans-73.9-42.9178.6-68.5-5.8000108.6I73 D74 I75 P93 F98 I99 I103 T104 G105I73-N101 PolarHBondContact O-ND2 2.92Å; D74-N101 PolarHBondContact OD1-ND2 3.06Å; I75-N101 HydrophobicContact CD1-CB 4.42Å; I75-N101 WeakPolarHBondContact CD1-O 3.34Å; I75-N101 HydrophobicContact CG1-CB 4.31Å; P93-N101 HydrophobicContact CG-CB 3.91Å; F98-N101 WeakPolarHBondContact O-CB 3.31Å; F98-N101 PolarHBondContact O-N 2.82Å; I99-N101 PolarHBondContact O-N 3.17Å; N101-I103 VanDerWaalsContact C-N 3.31Å; N101-I103 PolarHBondContact O-N 3.08Å; N101-T104 WeakPolarHBondContact CA-OG1 3.41Å; N101-T104 PolarHBondContact O-N 3.31Å; N101-T104 VanDerWaalsContact O-N 3.14Å; N101-T104 PolarHBondContact O-OG1 3.24Å; N101-G105 PolarHBondContact O-N 2.89Å
102M78Confident76.4Confident0 Ų019.1 Ų19.10%09%0.094CC..Hα-helixtrans-56.4-42.6174.1-177.3-83.4-103.100112.8I13 A92 P93 F98 I99 T104 G105 T106 H136 L139I13-M102 HydrophobicContact CG2-CG 4.24Å; A92-M102 HydrophobicContact CB-CB 4.17Å; A92-M102 HydrophobicContact CB-CG 3.86Å; P93-M102 HydrophobicContact CG-CB 4.39Å; F98-M102 PolarHBondContact O-N 3.09Å; I99-M102 WeakPolarHBondContact O-CB 3.43Å; I99-M102 PolarHBondContact O-N 3.22Å; I99-M102 VanDerWaalsContact O-N 3.15Å; M102-T104 VanDerWaalsContact C-N 3.34Å; M102-T104 PolarHBondContact O-N 2.84Å; M102-G105 PolarHBondContact O-N 2.95Å; M102-T106 VanDerWaalsContact O-CB 3.3Å; M102-T106 WeakPolarHBondContact O-CB 3.49Å; M102-T106 PolarHBondContact O-N 2.87Å; M102-T106 PolarHBondContact O-OG1 3.39Å; M102-T106 PolarHBondContact SD-OG1 2.62Å; M102-H136 HydrophobicContact CE-CB 3.99Å; M102-H136 WeakPolarHBondContact CE-CD2 3.19Å; M102-L139 HydrophobicContact CE-CB 3.89Å; M102-L139 HydrophobicContact CE-CD1 3.36Å; M102-L139 HydrophobicContact CE-CG 4.26Å; M102-L139 HydrophobicContact SD-CB 4.4Å; M102-L139 HydrophobicContact SD-CD1 4.31Å
103I73.4Confident77.3Confident0 Ų019.2 Ų19.20%09%0.094CC..Hα-helixtrans-61.2-44.6177.7-69.8166.2000110.7I99 N101 G105 T106 S107 L139 L143 D366 A429I99-I103 HydrophobicContact CG2-CD1 3.82Å; I99-I103 HydrophobicContact CG2-CG1 4.14Å; I99-I103 WeakPolarHBondContact O-CG1 3.24Å; I99-I103 PolarHBondContact O-N 3.43Å; N101-I103 VanDerWaalsContact C-N 3.31Å; N101-I103 PolarHBondContact O-N 3.08Å; I103-G105 VanDerWaalsContact C-N 3.27Å; I103-G105 PolarHBondContact O-N 3.36Å; I103-T106 PolarHBondContact O-N 3.43Å; I103-S107 WeakPolarHBondContact O-CB 3.25Å; I103-S107 PolarHBondContact O-N 3.31Å; I103-S107 PolarHBondContact O-OG 3.31Å; I103-L139 HydrophobicContact CD1-CD2 4.37Å; I103-L139 HydrophobicContact CG1-CD1 4.35Å; I103-L139 HydrophobicContact CG1-CD2 4.36Å; I103-L143 HydrophobicContact CB-CD1 4.27Å; I103-L143 HydrophobicContact CG1-CD1 4.38Å; I103-L143 HydrophobicContact CG2-CD1 3.86Å; I103-L143 HydrophobicContact CG2-CD2 4.01Å; I103-D366 HydrophobicContact CD1-CB 3.69Å; I103-D366 WeakPolarHBondContact CD1-OD2 3.27Å; I103-D366 HydrophobicContact CG2-CB 3.84Å; I103-A429 HydrophobicContact CD1-CB 4.34Å
104T72.5Confident78.2Confident9 Ų919.2 Ų19.26%0.0559%0.094CC..Hα-helixtrans-69.2-22.9177.650.30000114.8K100 N101 M102 S107 Q108 R326K100-T104 PolarHBondContact O-N 3.23Å; K100-T104 PolarHBondContact O-OG1 2.67Å; N101-T104 WeakPolarHBondContact CA-OG1 3.41Å; N101-T104 PolarHBondContact O-N 3.31Å; N101-T104 VanDerWaalsContact O-N 3.14Å; N101-T104 PolarHBondContact O-OG1 3.24Å; M102-T104 VanDerWaalsContact C-N 3.34Å; M102-T104 PolarHBondContact O-N 2.84Å; T104-S107 PolarHBondContact O-OG 3.13Å; T104-S107 VanDerWaalsContact O-OG 3.06Å; T104-Q108 PolarHBondContact O-NE2 3.5Å; T104-R326 PolarHBondContact OG1-NH2 3.17Å
105G74Confident79.6Confident0 Ų019 Ų190%09%0.091CC..Hα-helixtrans-80.5-42.3173.700000111I90 N101 M102 I103 S107 Q108I90-G105 WeakPolarHBondContact CD1-O 3.37Å; N101-G105 PolarHBondContact O-N 2.89Å; M102-G105 PolarHBondContact O-N 2.95Å; I103-G105 VanDerWaalsContact C-N 3.27Å; I103-G105 PolarHBondContact O-N 3.36Å; G105-S107 VanDerWaalsContact C-N 3.34Å; G105-S107 PolarHBondContact O-N 2.93Å; G105-Q108 PolarHBondContact O-N 3.18Å
106T79.8Confident80.7Confident1 Ų116.2 Ų16.21%0.0068%0.079CC..Hα-helixtrans-68.6-31.6-179.7-56.60000112.4V11 M102 I103 Q108 A109 A140 L143 V145V11-T106 HydrophobicContact CG1-CG2 4.24Å; M102-T106 VanDerWaalsContact O-CB 3.3Å; M102-T106 WeakPolarHBondContact O-CB 3.49Å; M102-T106 PolarHBondContact O-N 2.87Å; M102-T106 PolarHBondContact O-OG1 3.39Å; M102-T106 PolarHBondContact SD-OG1 2.62Å; I103-T106 PolarHBondContact O-N 3.43Å; T106-Q108 PolarHBondContact O-N 3Å; T106-A109 WeakPolarHBondContact O-CB 3.39Å; T106-A109 PolarHBondContact O-N 3.19Å; T106-A109 VanDerWaalsContact O-N 3.16Å; T106-A140 HydrophobicContact CG2-CB 3.92Å; T106-L143 HydrophobicContact CG2-CB 4.13Å; T106-L143 HydrophobicContact CG2-CD1 3.61Å; T106-L143 HydrophobicContact CG2-CG 4.49Å; T106-V145 HydrophobicContact CG2-CG2 3.78Å; T106-V145 WeakPolarHBondContact O-CG2 3.49Å
107S74Confident81.9Confident20 Ų2013.3 Ų13.314%0.147%0.069CC..THydrogen-bonded Turntrans-63.8-19174.963.50000113.6I103 T104 G105I103-S107 WeakPolarHBondContact O-CB 3.25Å; I103-S107 PolarHBondContact O-N 3.31Å; I103-S107 PolarHBondContact O-OG 3.31Å; T104-S107 PolarHBondContact O-OG 3.13Å; T104-S107 VanDerWaalsContact O-OG 3.06Å; G105-S107 VanDerWaalsContact C-N 3.34Å; G105-S107 PolarHBondContact O-N 2.93Å
108Q71.2Confident83.3Confident7 Ų710.1 Ų10.13%0.0335%0.052CC..THydrogen-bonded Turntrans-95.2-7.1178.7-59.6176.252.200113.5N9 I90 T104 G105 T106 Q255 R270 N311N9-Q108 WeakPolarHBondContact CB-O 3.29Å; N9-Q108 PolarHBondContact ND2-O 3.41Å; I90-Q108 HydrophobicContact CD1-CB 3.73Å; T104-Q108 PolarHBondContact O-NE2 3.5Å; G105-Q108 PolarHBondContact O-N 3.18Å; T106-Q108 PolarHBondContact O-N 3Å; Q108-Q255 VanDerWaalsContact CD-CD 3.47Å; Q108-Q255 VanDerWaalsContact NE2-NE2 3.19Å; Q108-R270 HydrophobicContact CG-CB 4.49Å; Q108-R270 PolarHBondContact O-NE 2.81Å; Q108-N311 PolarHBondContact OE1-OD1 3.21Å
109A85.7Confident84.4Confident11 Ų118.8 Ų8.89%0.0915%0.047CC..  trans-87.8137.1-168.600000112.5V11 T106 V145V11-A109 HydrophobicContact CB-CB 3.66Å; V11-A109 HydrophobicContact CG1-CB 3.5Å; V11-A109 VanDerWaalsContact CG1-CB 3.5Å; T106-A109 WeakPolarHBondContact O-CB 3.39Å; T106-A109 PolarHBondContact O-N 3.19Å; T106-A109 VanDerWaalsContact O-N 3.16Å; A109-V145 HydrophobicContact CB-CG2 4.04Å
110D88.6Confident85.4Confident7 Ų713.3 Ų13.34%0.0378%0.075CC..SBendtrans-86.5-30.4171.1-63.8-39.4000110.6I8 N9 Q147 P242 R244 R270I8-D110 HydrophobicContact CD1-CB 4.45Å; I8-D110 HydrophobicContact CG1-CB 3.69Å; N9-D110 PolarHBondContact N-OD2 2.7Å; N9-D110 WeakPolarHBondContact O-CA 3.34Å; N9-D110 WeakPolarHBondContact O-CB 3.3Å; N9-D110 PolarHBondContact O-N 2.85Å; D110-Q147 PolarHBondContact O-NE2 3.47Å; D110-P242 HydrophobicContact CB-CG 4.19Å; D110-P242 VanDerWaalsContact CG-CD 3.45Å; D110-P242 VanDerWaalsContact OD1-CD 3.27Å; D110-P242 WeakPolarHBondContact OD1-CD 3.36Å; D110-P242 WeakPolarHBondContact OD1-CG 3.34Å; D110-R244 IonicContact OD1-CZ 3.34Å; D110-R244 IonicContact OD1-NH1 3.06Å; D110-R244 PolarHBondContact OD1-NH1 3.19Å; D110-R244 IonicContact OD1-NH2 2.77Å; D110-R244 IonicContact OD2-CZ 2.91Å; D110-R244 IonicContact OD2-NH1 2.77Å; D110-R244 IonicContact OD2-NH2 3.28Å; D110-R244 PolarHBondContact OD2-NH2 2.83Å; D110-R270 IonicContact OD1-CZ 3.72Å; D110-R270 IonicContact OD1-NH2 3.86Å; D110-R270 PolarHBondContact OD1-NH2 2.89Å
111C93.2Very high86.5Confident0 Ų010.4 Ų10.40%07%0.073CC..EExtended strand (participates in β ladder)trans-140150.5176.5178.70000111N9 I10 V11 Q147 M239N9-C111 PolarHBondContact O-N 2.86Å; I10-C111 WeakPolarHBondContact CA-O 3.42Å; I10-C111 HydrophobicContact CG1-CB 4.33Å; V11-C111 PolarHBondContact N-O 3.21Å; C111-Q147 HydrophobicContact CB-CB 4.12Å; C111-M239 HydrophobicContact CB-CB 4.42Å; C111-M239 HydrophobicContact CB-CG 4.28Å; C111-M239 VanDerWaalsContact SG-SD 3.67Å
112A95.1Very high87.5Confident0 Ų013.3 Ų13.30%09%0.086CC..EExtended strand (participates in β ladder)trans-110.6134.2171.400000110.4V11 I13 A140 V145 Q147 L148 I149V11-A112 HydrophobicContact CG1-CB 3.82Å; V11-A112 CarbonylContact O-C 3.59Å; V11-A112 WeakPolarHBondContact O-CA 3.49Å; I13-A112 HydrophobicContact CD1-CB 3.96Å; I13-A112 HydrophobicContact CG1-CB 4.37Å; A112-A140 HydrophobicContact CB-CB 4.12Å; A112-V145 HydrophobicContact CB-CG1 3.74Å; A112-Q147 PolarHBondContact N-O 3.16Å; A112-L148 HydrophobicContact CB-CD1 3.84Å; A112-L148 CarbonylContact O-C 3.34Å; A112-L148 WeakPolarHBondContact O-CA 3.43Å; A112-I149 PolarHBondContact O-N 3.33Å
113M96.4Very high88.2Confident2 Ų213.4 Ų13.41%0.019%0.087CC..EExtended strand (participates in β ladder)trans-102.8108.2167.6178.8171.16100108.8I10 V11 V12 I13 I115 A151 L232I10-M113 HydrophobicContact CG2-CB 4.19Å; V11-M113 PolarHBondContact O-N 2.57Å; V12-M113 WeakPolarHBondContact CA-O 3.42Å; V12-M113 HydrophobicContact CB-CE 4.18Å; V12-M113 HydrophobicContact CG1-CE 3.79Å; V12-M113 HydrophobicContact CG2-CE 3.37Å; I13-M113 PolarHBondContact N-O 3.41Å; M113-I115 HydrophobicContact CE-CD1 4.15Å; M113-I115 HydrophobicContact CG-CD1 3.69Å; M113-I115 HydrophobicContact SD-CD1 3.95Å; M113-A151 HydrophobicContact CG-CB 4.47Å; M113-L232 HydrophobicContact SD-CD1 3.68Å; M113-L232 HydrophobicContact SD-CD2 3.69Å; M113-L232 HydrophobicContact SD-CG 4.11Å
114L96.6Very high89.2Confident1 Ų117 Ų171%0.00510%0.103CC..EExtended strand (participates in β ladder)trans-92.8111.8177.7179.560.9000110.6I13 V116 T133 A137 L148 I149 I150 A151I13-L114 HydrophobicContact CD1-CB 4.33Å; I13-L114 HydrophobicContact CD1-CD1 4.14Å; I13-L114 HydrophobicContact CG1-CB 4.11Å; I13-L114 HydrophobicContact CG1-CD1 3.9Å; I13-L114 CarbonylContact O-C 3.47Å; I13-L114 WeakPolarHBondContact O-CA 3.44Å; L114-V116 HydrophobicContact CG-CG2 4.08Å; L114-T133 HydrophobicContact CD1-CG2 4.08Å; L114-T133 HydrophobicContact CD2-CG2 3.88Å; L114-T133 HydrophobicContact CG-CG2 4.25Å; L114-A137 HydrophobicContact CD2-CB 4.09Å; L114-L148 HydrophobicContact CB-CD1 3.9Å; L114-I149 PolarHBondContact N-O 2.95Å; L114-I150 HydrophobicContact CB-CD1 3.76Å; L114-I150 HydrophobicContact CD2-CD1 3.73Å; L114-I150 HydrophobicContact CG-CD1 4.11Å; L114-I150 WeakPolarHBondContact O-CA 3.42Å; L114-A151 PolarHBondContact O-N 2.99Å
115I96.9Very high90.1Very high0 Ų018.6 Ų18.60%012%0.118CC..EExtended strand (participates in β ladder)trans-86.1122.9176.9-50.5-57.1000109.3V12 I13 S18 K20 T23 M113 A151 N153V12-I115 HydrophobicContact CG1-CD1 4.29Å; V12-I115 HydrophobicContact CG1-CG1 3.71Å; I13-I115 PolarHBondContact O-N 2.78Å; S18-I115 WeakPolarHBondContact O-CG2 3.24Å; K20-I115 HydrophobicContact CG-CB 4.06Å; K20-I115 HydrophobicContact CG-CG1 3.99Å; T23-I115 HydrophobicContact CG2-CD1 4.06Å; M113-I115 HydrophobicContact CE-CD1 4.15Å; M113-I115 HydrophobicContact CG-CD1 3.69Å; M113-I115 HydrophobicContact SD-CD1 3.95Å; I115-A151 WeakPolarHBondContact CA-O 3.25Å; I115-A151 HydrophobicContact CD1-CB 3.51Å; I115-N153 HydrophobicContact CG2-CB 3.71Å
116V97Very high90.8Very high2 Ų218.7 Ų18.71%0.01212%0.119CC..EExtended strand (participates in β ladder)trans-122.6118.3-179.6-178.60000108.1L114 F123 T133 I150 A151 I152 N153 I170 V174L114-V116 HydrophobicContact CG-CG2 4.08Å; V116-F123 HydrophobicContact CG1-CD2 3.56Å; V116-F123 HydrophobicContact CG1-CE2 3.8Å; V116-T133 HydrophobicContact CG2-CG2 4.05Å; V116-I150 HydrophobicContact CG2-CG2 4.03Å; V116-A151 PolarHBondContact N-O 3.18Å; V116-I152 CarbonylContact O-C 3.59Å; V116-I152 WeakPolarHBondContact O-CA 3.17Å; V116-N153 PolarHBondContact O-N 3.16Å; V116-I170 HydrophobicContact CG1-CG2 3.97Å; V116-V174 HydrophobicContact CG1-CG2 4.44Å
117A96.9Very high91.3Very high6 Ų619.7 Ų19.75%0.0512%0.124CC..EExtended strand (participates in β ladder)trans-71.6137.8175.800000111.3E122 F123 N153 K154A117-E122 HydrophobicContact CB-CB 3.82Å; A117-E122 WeakPolarHBondContact CB-OE2 3.08Å; A117-F123 WeakPolarHBondContact O-CA 3.45Å; A117-F123 WeakPolarHBondContact O-CB 3.4Å; A117-N153 CarbonylContact C-O 3.13Å; A117-K154 HydrophobicContact CB-CD 4.3Å
118A97.8Very high91.9Very high0 Ų020.8 Ų20.80%013%0.131CC..  trans-92.7-13.5179.700000114.3I152 N153 M155 T158 R166 I170A118-I152 HydrophobicContact CB-CG2 3.81Å; A118-N153 VanDerWaalsContact CB-O 3.3Å; A118-N153 WeakPolarHBondContact CB-O 3.25Å; A118-N153 PolarHBondContact N-O 2.92Å; A118-M155 HydrophobicContact CB-SD 3.8Å; A118-T158 HydrophobicContact CB-CG2 3.64Å; A118-R166 PolarHBondContact O-NE 3.39Å; A118-I170 HydrophobicContact CB-CD1 3.68Å
119G93.8Very high92.3Very high4 Ų429.6 Ų29.64%0.04117%0.17CC..SBendtrans-55.2149.4178.900000112.6G121 E122 F123 R166G119-G121 PolarHBondContact O-N 2.77Å; G119-E122 PolarHBondContact O-N 2.83Å; G119-F123 PolarHBondContact O-N 2.82Å; G119-R166 PolarHBondContact O-NH2 3.14Å
120V91.3Very high91.9Very high95 Ų9534 Ų3458%0.57619%0.192SC*.THydrogen-bonded Turntrans-64129.6176.7-177.70000109.1E122 E159V120-E122 PolarHBondContact O-N 2.79Å; V120-E122 VanDerWaalsContact O-N 3.16Å; V120-E159 HydrophobicContact CG2-CG 4.37Å
121G91.8Very high91.5Very high40 Ų4033.9 Ų33.941%0.41219%0.192SC..THydrogen-bonded Turntrans84.2-35-177.100000113.9G119 E124 A125G119-G121 PolarHBondContact O-N 2.77Å; G121-E124 WeakPolarHBondContact CA-OE2 3.2Å; G121-E124 PolarHBondContact N-OE2 3.36Å; G121-A125 VanDerWaalsContact O-CB 3.23Å; G121-A125 WeakPolarHBondContact O-CB 3.4Å; G121-A125 PolarHBondContact O-N 3.2Å
122E93Very high91.1Very high74 Ų7434.2 Ų34.235%0.34619%0.194SC..Hα-helixtrans-69.6-43.6178.6-65-166.5-177.800112.3A117 G119 V120 A125 G126 K154A117-E122 HydrophobicContact CB-CB 3.82Å; A117-E122 WeakPolarHBondContact CB-OE2 3.08Å; G119-E122 PolarHBondContact O-N 2.83Å; V120-E122 PolarHBondContact O-N 2.79Å; V120-E122 VanDerWaalsContact O-N 3.16Å; E122-A125 PolarHBondContact O-N 3.21Å; E122-G126 PolarHBondContact O-N 2.82Å; E122-K154 IonicContact OE1-NZ 2.83Å; E122-K154 PolarHBondContact OE1-NZ 3.03Å; E122-K154 VanDerWaalsContact OE2-CD 3.29Å; E122-K154 WeakPolarHBondContact OE2-CD 3.29Å; E122-K154 VanDerWaalsContact OE2-CE 3.31Å; E122-K154 WeakPolarHBondContact OE2-CE 3.04Å; E122-K154 IonicContact OE2-NZ 3.28Å; E122-K154 PolarHBondContact OE2-NZ 3.26Å
123F94.3Very high90.7Very high3 Ų334.5 Ų34.51%0.01320%0.196CC..Hα-helixtrans-59.7-52.6176174.4-118.6000110.3V116 A117 G119 A125 G126 I127 R166 I170 E173 V174V116-F123 HydrophobicContact CG1-CD2 3.56Å; V116-F123 HydrophobicContact CG1-CE2 3.8Å; A117-F123 WeakPolarHBondContact O-CA 3.45Å; A117-F123 WeakPolarHBondContact O-CB 3.4Å; G119-F123 PolarHBondContact O-N 2.82Å; F123-A125 VanDerWaalsContact C-N 3.31Å; F123-A125 PolarHBondContact O-N 3.43Å; F123-G126 PolarHBondContact O-N 2.91Å; F123-I127 HydrophobicContact CD1-CD1 4.36Å; F123-I127 HydrophobicContact CD2-CG2 4.14Å; F123-I127 HydrophobicContact CE1-CD1 3.71Å; F123-I127 HydrophobicContact CE1-CG1 4.36Å; F123-I127 HydrophobicContact CE2-CD1 4.45Å; F123-I127 HydrophobicContact CE2-CG2 3.57Å; F123-I127 HydrophobicContact CZ-CD1 3.75Å; F123-I127 HydrophobicContact CZ-CG1 4.3Å; F123-I127 HydrophobicContact CZ-CG2 3.92Å; F123-I127 WeakPolarHBondContact O-CG1 3.27Å; F123-I127 PolarHBondContact O-N 2.97Å; F123-R166 VanDerWaalsContact CB-NH2 3.27Å; F123-I170 HydrophobicContact CD1-CG1 4.06Å; F123-I170 HydrophobicContact CD2-CD1 4.38Å; F123-I170 HydrophobicContact CD2-CG1 3.93Å; F123-I170 HydrophobicContact CD2-CG2 4.13Å; F123-I170 HydrophobicContact CE1-CG1 4.11Å; F123-I170 HydrophobicContact CE2-CB 4.24Å; F123-I170 HydrophobicContact CE2-CG1 3.99Å; F123-I170 HydrophobicContact CE2-CG2 3.73Å; F123-I170 HydrophobicContact CG-CD1 4.38Å; F123-I170 HydrophobicContact CG-CG1 3.97Å; F123-I170 HydrophobicContact CZ-CB 4.34Å; F123-I170 HydrophobicContact CZ-CG1 4.08Å; F123-I170 HydrophobicContact CZ-CG2 4.25Å; F123-E173 HydrophobicContact CE1-CB 4.39Å; F123-E173 WeakPolarHBondContact CE1-OE2 3.48Å; F123-E173 HydrophobicContact CZ-CB 3.89Å; F123-V174 HydrophobicContact CE2-CG2 3.86Å; F123-V174 HydrophobicContact CZ-CG2 4.3Å
124E93.9Very high90.2Very high74 Ų7438.6 Ų38.635%0.34621%0.211SC..Hα-helixtrans-60.3-40.9-177.6-66.474.3-162.700111G121 S128 R166G121-E124 WeakPolarHBondContact CA-OE2 3.2Å; G121-E124 PolarHBondContact N-OE2 3.36Å; E124-S128 WeakPolarHBondContact O-CB 3.13Å; E124-S128 PolarHBondContact O-N 3.29Å; E124-R166 IonicContact OE1-CZ 2.79Å; E124-R166 VanDerWaalsContact OE1-CZ 3.3Å; E124-R166 IonicContact OE1-NH1 3.5Å; E124-R166 PolarHBondContact OE1-NH1 3.31Å; E124-R166 IonicContact OE1-NH2 2.74Å; E124-R166 PolarHBondContact OE1-NH2 3.45Å; E124-R166 IonicContact OE2-NH2 3.53Å; E124-R166 PolarHBondContact OE2-NH2 2.95Å; E124-R166 VanDerWaalsContact OE2-NH2 3.16Å
125A91.9Very high89.5Confident43 Ų4339.3 Ų39.336%0.35521%0.214SC..Hα-helixtrans-60.7-46.4173.400000111.7G121 E122 F123 I127 S128 G131G121-A125 VanDerWaalsContact O-CB 3.23Å; G121-A125 WeakPolarHBondContact O-CB 3.4Å; G121-A125 PolarHBondContact O-N 3.2Å; E122-A125 PolarHBondContact O-N 3.21Å; F123-A125 VanDerWaalsContact C-N 3.31Å; F123-A125 PolarHBondContact O-N 3.43Å; A125-I127 PolarHBondContact O-N 3.19Å; A125-S128 WeakPolarHBondContact O-CB 3.31Å; A125-S128 PolarHBondContact O-N 2.69Å; A125-S128 PolarHBondContact O-OG 2.84Å; A125-G131 VanDerWaalsContact O-CA 3.28Å; A125-G131 WeakPolarHBondContact O-CA 3.3Å
126G88.8Confident89.1Confident2 Ų239.3 Ų39.32%0.02121%0.214CC..Hα-helixtrans-66.7-32.3-178.800000114.6E122 F123 G131 T133E122-G126 PolarHBondContact O-N 2.82Å; F123-G126 PolarHBondContact O-N 2.91Å; G126-G131 CarbonylContact O-C 3.52Å; G126-G131 WeakPolarHBondContact O-CA 3.28Å; G126-T133 WeakPolarHBondContact O-CB 3.42Å; G126-T133 PolarHBondContact O-N 3.39Å; G126-T133 PolarHBondContact O-OG1 2.81Å
127I89.5Confident88.6Confident22 Ų2239.2 Ų39.211%0.11321%0.214CC..Hα-helixtrans-94.8-4.2175.765.4155.9000113.9F123 A125 R134 E173F123-I127 HydrophobicContact CD1-CD1 4.36Å; F123-I127 HydrophobicContact CD2-CG2 4.14Å; F123-I127 HydrophobicContact CE1-CD1 3.71Å; F123-I127 HydrophobicContact CE1-CG1 4.36Å; F123-I127 HydrophobicContact CE2-CD1 4.45Å; F123-I127 HydrophobicContact CE2-CG2 3.57Å; F123-I127 HydrophobicContact CZ-CD1 3.75Å; F123-I127 HydrophobicContact CZ-CG1 4.3Å; F123-I127 HydrophobicContact CZ-CG2 3.92Å; F123-I127 WeakPolarHBondContact O-CG1 3.27Å; F123-I127 PolarHBondContact O-N 2.97Å; A125-I127 PolarHBondContact O-N 3.19Å; I127-R134 WeakPolarHBondContact O-CD 3.5Å; I127-R134 PolarHBondContact O-NE 3.46Å; I127-R134 PolarHBondContact O-NH1 2.84Å; I127-R134 PolarHBondContact O-NH2 2.81Å; I127-R134 VanDerWaalsContact O-NH2 3.08Å; I127-E173 WeakPolarHBondContact CD1-OE2 3.21Å
128S86.5Confident88.1Confident43 Ų4339.4 Ų39.430%0.30121%0.214SC..SBendtrans-59.3169.6177.475.10000111.6E124 A125 N130 G131E124-S128 WeakPolarHBondContact O-CB 3.13Å; E124-S128 PolarHBondContact O-N 3.29Å; A125-S128 WeakPolarHBondContact O-CB 3.31Å; A125-S128 PolarHBondContact O-N 2.69Å; A125-S128 PolarHBondContact O-OG 2.84Å; S128-N130 PolarHBondContact O-N 3.14Å; S128-N130 VanDerWaalsContact O-N 3.11Å; S128-N130 PolarHBondContact OG-N 2.99Å; S128-G131 PolarHBondContact O-N 2.76Å; S128-G131 PolarHBondContact OG-N 3.36Å
129K78.5Confident87.4Confident192 Ų19239.4 Ų39.484%0.83521%0.214SC*.THydrogen-bonded Turntrans-56.4-27.6172.2-69.7-177.1-178.5176.90112.4
130N78.5Confident87.1Confident103 Ų10339.2 Ų39.255%0.55121%0.212SC*.THydrogen-bonded Turntrans-93.4-7.8177.3-75.8-38.2000113.7R96 S128R96-N130 PolarHBondContact NH2-O 3.45Å; R96-N130 PolarHBondContact NH2-OD1 2.89Å; S128-N130 PolarHBondContact O-N 3.14Å; S128-N130 VanDerWaalsContact O-N 3.11Å; S128-N130 PolarHBondContact OG-N 2.99Å
131G80.6Confident86.9Confident5 Ų538 Ų385%0.05220%0.198CC..  trans-72.5146.7-179.400000112.2A125 G126 S128A125-G131 VanDerWaalsContact O-CA 3.28Å; A125-G131 WeakPolarHBondContact O-CA 3.3Å; G126-G131 CarbonylContact O-C 3.52Å; G126-G131 WeakPolarHBondContact O-CA 3.28Å; S128-G131 PolarHBondContact O-N 2.76Å; S128-G131 PolarHBondContact OG-N 3.36Å
132Q84.9Confident86.2Confident7 Ų736.7 Ų36.73%0.03318%0.182CC..Hα-helixtrans-89.8-17.4-176.4-68.6147-15.200112.9H15 V16 G94 R96 R134 E135 H136H15-Q132 PolarHBondContact ND1-N 3.05Å; H15-Q132 PolarHBondContact ND1-OE1 3.3Å; V16-Q132 VanDerWaalsContact CG2-OE1 3.27Å; G94-Q132 PolarHBondContact O-NE2 2.98Å; G94-Q132 PolarHBondContact O-OE1 2.91Å; R96-Q132 HydrophobicContact CG-CG 4.34Å; Q132-R134 PolarHBondContact O-N 2.96Å; Q132-R134 VanDerWaalsContact O-N 3.16Å; Q132-E135 PolarHBondContact O-N 2.74Å; Q132-E135 VanDerWaalsContact O-N 3.16Å; Q132-H136 VanDerWaalsContact O-CB 3.27Å; Q132-H136 WeakPolarHBondContact O-CB 3.27Å; Q132-H136 PolarHBondContact O-CD2 3Å; Q132-H136 VanDerWaalsContact O-CD2 3.29Å; Q132-H136 PolarHBondContact O-N 2.81Å
133T86.7Confident85.4Confident6 Ų634 Ų344%0.03717%0.169CC..Hα-helixtrans-53.4-40.8178.3-570000110.6L114 V116 G126 A137L114-T133 HydrophobicContact CD1-CG2 4.08Å; L114-T133 HydrophobicContact CD2-CG2 3.88Å; L114-T133 HydrophobicContact CG-CG2 4.25Å; V116-T133 HydrophobicContact CG2-CG2 4.05Å; G126-T133 WeakPolarHBondContact O-CB 3.42Å; G126-T133 PolarHBondContact O-N 3.39Å; G126-T133 PolarHBondContact O-OG1 2.81Å; T133-A137 PolarHBondContact O-N 2.79Å
134R84.3Confident84.8Confident88 Ų8834.9 Ų34.933%0.33218%0.18SC..Hα-helixtrans-66.2-54.6176.9-70.9-166.6171.6168.311.6112.6I127 Q132 H136 A137 L138 Y177I127-R134 WeakPolarHBondContact O-CD 3.5Å; I127-R134 PolarHBondContact O-NE 3.46Å; I127-R134 PolarHBondContact O-NH1 2.84Å; I127-R134 PolarHBondContact O-NH2 2.81Å; I127-R134 VanDerWaalsContact O-NH2 3.08Å; Q132-R134 PolarHBondContact O-N 2.96Å; Q132-R134 VanDerWaalsContact O-N 3.16Å; R134-H136 VanDerWaalsContact C-N 3.27Å; R134-H136 PolarHBondContact O-N 2.78Å; R134-A137 PolarHBondContact O-N 2.9Å; R134-L138 WeakPolarHBondContact O-CB 3.2Å; R134-L138 PolarHBondContact O-N 2.84Å; R134-L138 VanDerWaalsContact O-N 3.15Å; R134-Y177 VanDerWaalsContact C-OH 3.26Å; R134-Y177 VanDerWaalsContact CA-CE1 3.47Å; R134-Y177 VanDerWaalsContact CA-CZ 3.45Å; R134-Y177 VanDerWaalsContact CA-OH 3.26Å; R134-Y177 WeakPolarHBondContact CA-OH 3.48Å; R134-Y177 HydrophobicContact CB-CE1 3.88Å; R134-Y177 HydrophobicContact CB-CE2 3.84Å; R134-Y177 WeakPolarHBondContact CB-OH 3.29Å; R134-Y177 HydrophobicContact CG-CD1 4.21Å; R134-Y177 HydrophobicContact CG-CD2 3.88Å; R134-Y177 HydrophobicContact CG-CE1 3.79Å; R134-Y177 HydrophobicContact CG-CE2 3.42Å; R134-Y177 VanDerWaalsContact CG-CE2 3.42Å; R134-Y177 HydrophobicContact CG-CG 4.27Å; R134-Y177 PolarHBondContact O-OH 2.94Å
135E82.7Confident84.5Confident16 Ų1631.5 Ų31.58%0.07516%0.164CC..Hα-helixtrans-59.2-39.7-179.8-175.7168.2-154.900111.8I99 Q132 L138 L139 T436I99-E135 WeakPolarHBondContact CD1-OE2 3.29Å; Q132-E135 PolarHBondContact O-N 2.74Å; Q132-E135 VanDerWaalsContact O-N 3.16Å; E135-L138 WeakPolarHBondContact O-CB 3.17Å; E135-L138 PolarHBondContact O-N 3.17Å; E135-L139 HydrophobicContact CG-CD1 3.86Å; E135-L139 HydrophobicContact CG-CG 4.4Å; E135-L139 WeakPolarHBondContact O-CB 3.13Å; E135-L139 VanDerWaalsContact O-CG 3.26Å; E135-L139 WeakPolarHBondContact O-CG 3.4Å; E135-L139 PolarHBondContact O-N 3.41Å; E135-T436 VanDerWaalsContact OE1-CB 3.23Å; E135-T436 WeakPolarHBondContact OE1-CB 3.36Å; E135-T436 PolarHBondContact OE1-N 3.5Å; E135-T436 PolarHBondContact OE1-OG1 3.05Å
136H87.5Confident84.3Confident0 Ų033.8 Ų33.80%017%0.166CC..Hα-helixtrans-69.5-46.1-178.7-69.1-170.2000113I13 G14 M102 Q132 R134 L138 L139 A140I13-H136 HydrophobicContact CB-CB 4.03Å; I13-H136 HydrophobicContact CD1-CB 3.98Å; I13-H136 HydrophobicContact CG1-CB 4.42Å; G14-H136 PolarHBondContact N-ND1 2.97Å; G14-H136 PolarHBondContact O-CE1 2.91Å; G14-H136 PolarHBondContact O-ND1 2.8Å; M102-H136 HydrophobicContact CE-CB 3.99Å; M102-H136 WeakPolarHBondContact CE-CD2 3.19Å; Q132-H136 VanDerWaalsContact O-CB 3.27Å; Q132-H136 WeakPolarHBondContact O-CB 3.27Å; Q132-H136 PolarHBondContact O-CD2 3Å; Q132-H136 VanDerWaalsContact O-CD2 3.29Å; Q132-H136 PolarHBondContact O-N 2.81Å; R134-H136 VanDerWaalsContact C-N 3.27Å; R134-H136 PolarHBondContact O-N 2.78Å; H136-L138 VanDerWaalsContact C-N 3.26Å; H136-L138 PolarHBondContact O-N 3.46Å; H136-L139 PolarHBondContact O-N 3.01Å; H136-A140 WeakPolarHBondContact O-CB 3.13Å; H136-A140 PolarHBondContact O-N 3.31Å
137A88.5Confident84.6Confident0 Ų035.5 Ų35.50%017%0.173CC..Hα-helixtrans-60.3-41.1176.900000111.3L114 T133 R134 Y141 Y177 Y183L114-A137 HydrophobicContact CD2-CB 4.09Å; T133-A137 PolarHBondContact O-N 2.79Å; R134-A137 PolarHBondContact O-N 2.9Å; A137-Y141 WeakPolarHBondContact O-CB 3.45Å; A137-Y141 PolarHBondContact O-N 3.43Å; A137-Y177 HydrophobicContact CB-CE1 4.19Å; A137-Y183 WeakPolarHBondContact O-CE2 3.39Å; A137-Y183 PolarHBondContact O-OH 2.97Å
138L85.1Confident84.9Confident11 Ų1134.5 Ų34.56%0.05817%0.168CC..Hα-helixtrans-62.3-49.2175167.469.7000112.6R134 E135 H136 A140 Y141 T142 V181 M351 V439R134-L138 WeakPolarHBondContact O-CB 3.2Å; R134-L138 PolarHBondContact O-N 2.84Å; R134-L138 VanDerWaalsContact O-N 3.15Å; E135-L138 WeakPolarHBondContact O-CB 3.17Å; E135-L138 PolarHBondContact O-N 3.17Å; H136-L138 VanDerWaalsContact C-N 3.26Å; H136-L138 PolarHBondContact O-N 3.46Å; L138-A140 VanDerWaalsContact C-N 3.34Å; L138-Y141 PolarHBondContact O-N 3.08Å; L138-T142 VanDerWaalsContact O-CB 3.28Å; L138-T142 WeakPolarHBondContact O-CB 3.05Å; L138-T142 PolarHBondContact O-N 2.93Å; L138-T142 PolarHBondContact O-OG1 3.01Å; L138-V181 HydrophobicContact CB-CG1 4.46Å; L138-V181 HydrophobicContact CB-CG2 4.47Å; L138-M351 HydrophobicContact CD1-CE 3.46Å; L138-M351 VanDerWaalsContact CD1-CE 3.46Å; L138-M351 HydrophobicContact CD1-SD 3.77Å; L138-M351 HydrophobicContact CD2-CE 3.28Å; L138-M351 HydrophobicContact CD2-CG 4.11Å; L138-M351 HydrophobicContact CD2-SD 3.26Å; L138-M351 WeakPolarHBondContact CD2-SD 3.44Å; L138-M351 HydrophobicContact CG-CE 3.92Å; L138-M351 HydrophobicContact CG-SD 4Å; L138-V439 HydrophobicContact CD1-CG1 4.33Å; L138-V439 HydrophobicContact CD1-CG2 4.39Å; L138-V439 HydrophobicContact CD2-CG1 4.47Å; L138-V439 HydrophobicContact CG-CG1 4.29Å
139L83.1Confident85.4Confident0 Ų032.4 Ų32.40%015%0.154CC..Hα-helixtrans-62.6-42.8179-77.2172.4000110.8I99 M102 I103 E135 H136 Y141 T142 L143 A429 T436I99-L139 HydrophobicContact CG2-CD1 3.88Å; M102-L139 HydrophobicContact CE-CB 3.89Å; M102-L139 HydrophobicContact CE-CD1 3.36Å; M102-L139 HydrophobicContact CE-CG 4.26Å; M102-L139 HydrophobicContact SD-CB 4.4Å; M102-L139 HydrophobicContact SD-CD1 4.31Å; I103-L139 HydrophobicContact CD1-CD2 4.37Å; I103-L139 HydrophobicContact CG1-CD1 4.35Å; I103-L139 HydrophobicContact CG1-CD2 4.36Å; E135-L139 HydrophobicContact CG-CD1 3.86Å; E135-L139 HydrophobicContact CG-CG 4.4Å; E135-L139 WeakPolarHBondContact O-CB 3.13Å; E135-L139 VanDerWaalsContact O-CG 3.26Å; E135-L139 WeakPolarHBondContact O-CG 3.4Å; E135-L139 PolarHBondContact O-N 3.41Å; H136-L139 PolarHBondContact O-N 3.01Å; L139-Y141 PolarHBondContact O-N 3.47Å; L139-T142 CarbonylContact O-C 3.57Å; L139-T142 PolarHBondContact O-N 2.97Å; L139-L143 WeakPolarHBondContact O-CB 3.42Å; L139-L143 VanDerWaalsContact O-CG 3.26Å; L139-L143 WeakPolarHBondContact O-CG 3.49Å; L139-L143 PolarHBondContact O-N 3.34Å; L139-A429 HydrophobicContact CD2-CB 3.54Å; L139-T436 HydrophobicContact CD2-CG2 3.93Å
140A87.5Confident86.3Confident0 Ų023.3 Ų23.30%011%0.114CC..Hα-helixtrans-57.6-48.5173.700000112.4I13 T106 A112 H136 L138 T142 L143 G144 V145 Y183I13-A140 HydrophobicContact CD1-CB 4.01Å; T106-A140 HydrophobicContact CG2-CB 3.92Å; A112-A140 HydrophobicContact CB-CB 4.12Å; H136-A140 WeakPolarHBondContact O-CB 3.13Å; H136-A140 PolarHBondContact O-N 3.31Å; L138-A140 VanDerWaalsContact C-N 3.34Å; A140-T142 VanDerWaalsContact C-N 3.28Å; A140-T142 PolarHBondContact O-N 2.97Å; A140-L143 PolarHBondContact O-N 2.92Å; A140-G144 PolarHBondContact O-N 3.35Å; A140-G144 VanDerWaalsContact O-N 3.08Å; A140-V145 HydrophobicContact CB-CB 4.2Å; A140-V145 HydrophobicContact CB-CG2 4.46Å; A140-V145 WeakPolarHBondContact O-CB 3.32Å; A140-V145 PolarHBondContact O-N 3.48Å; A140-Y183 WeakPolarHBondContact CB-OH 3.41Å
141Y86.4Confident87.3Confident69 Ų6918.4 Ų18.427%0.2719%0.088SC..Hα-helixtrans-63.4-38.4178.8-174-98.4000112.3A137 L138 L139 G144 K146 V181 G182 Y183A137-Y141 WeakPolarHBondContact O-CB 3.45Å; A137-Y141 PolarHBondContact O-N 3.43Å; L138-Y141 PolarHBondContact O-N 3.08Å; L139-Y141 PolarHBondContact O-N 3.47Å; Y141-G144 PolarHBondContact O-N 3.3Å; Y141-K146 HydrophobicContact CD2-CD 4.01Å; Y141-K146 HydrophobicContact CE2-CD 3.8Å; Y141-K146 PolarHBondContact O-NZ 3.49Å; Y141-V181 HydrophobicContact CD1-CG1 4.31Å; Y141-V181 HydrophobicContact CG-CG1 3.95Å; Y141-G182 VanDerWaalsContact CE2-C 3.46Å; Y141-G182 WeakPolarHBondContact CE2-O 3.46Å; Y141-Y183 WeakPolarHBondContact CA-OH 3.38Å; Y141-Y183 HydrophobicContact CD2-CD1 4.09Å; Y141-Y183 HydrophobicContact CD2-CD2 4.11Å; Y141-Y183 AromaticContact CD2-CE1 3.93Å; Y141-Y183 HydrophobicContact CD2-CE1 3.93Å; Y141-Y183 AromaticContact CD2-CE2 3.97Å; Y141-Y183 HydrophobicContact CD2-CE2 3.97Å; Y141-Y183 HydrophobicContact CD2-CG 4.18Å; Y141-Y183 AromaticContact CD2-CZ 3.88Å; Y141-Y183 HydrophobicContact CG-CE2 4.24Å; Y141-Y183 PolarHBondContact N-OH 2.98Å; Y141-Y183 VanDerWaalsContact N-OH 3.1Å
142T77.9Confident88.1Confident13 Ų1318.1 Ų18.18%0.089%0.085CC..Hα-helixtrans-69.6-37.6178.5-60.90000111.7L138 L139 A140 G144 R427 V439L138-T142 VanDerWaalsContact O-CB 3.28Å; L138-T142 WeakPolarHBondContact O-CB 3.05Å; L138-T142 PolarHBondContact O-N 2.93Å; L138-T142 PolarHBondContact O-OG1 3.01Å; L139-T142 CarbonylContact O-C 3.57Å; L139-T142 PolarHBondContact O-N 2.97Å; A140-T142 VanDerWaalsContact C-N 3.28Å; A140-T142 PolarHBondContact O-N 2.97Å; T142-G144 PolarHBondContact O-N 2.93Å; T142-R427 WeakPolarHBondContact O-CB 3.27Å; T142-R427 WeakPolarHBondContact O-CD 3.15Å; T142-V439 HydrophobicContact CG2-CB 3.59Å; T142-V439 HydrophobicContact CG2-CG1 3.73Å; T142-V439 WeakPolarHBondContact OG1-CG1 3.31Å
143L77.3Confident88.8Confident17 Ų1718 Ų189%0.0899%0.085CC..Hα-helixtrans-78.7-15.9178.8-68.1166.6000111.7I103 T106 L139 A140 R427I103-L143 HydrophobicContact CB-CD1 4.27Å; I103-L143 HydrophobicContact CG1-CD1 4.38Å; I103-L143 HydrophobicContact CG2-CD1 3.86Å; I103-L143 HydrophobicContact CG2-CD2 4.01Å; T106-L143 HydrophobicContact CG2-CB 4.13Å; T106-L143 HydrophobicContact CG2-CD1 3.61Å; T106-L143 HydrophobicContact CG2-CG 4.49Å; L139-L143 WeakPolarHBondContact O-CB 3.42Å; L139-L143 VanDerWaalsContact O-CG 3.26Å; L139-L143 WeakPolarHBondContact O-CG 3.49Å; L139-L143 PolarHBondContact O-N 3.34Å; A140-L143 PolarHBondContact O-N 2.92Å; L143-R427 PolarHBondContact O-NH1 3.09Å
144G80.6Confident89.3Confident22 Ų2219.6 Ų19.623%0.2279%0.091CC..THydrogen-bonded Turntrans120.20.8171.300000116.3A140 Y141 T142 K146 R427A140-G144 PolarHBondContact O-N 3.35Å; A140-G144 VanDerWaalsContact O-N 3.08Å; Y141-G144 PolarHBondContact O-N 3.3Å; T142-G144 PolarHBondContact O-N 2.93Å; G144-K146 PolarHBondContact O-N 3.49Å; G144-R427 VanDerWaalsContact CA-CZ 3.49Å
145V87.8Confident89.9Confident3 Ų315.4 Ų15.42%0.0188%0.076CC..  trans-72.9100.6179.4-166.70000107T106 A109 A112 A140 Q147 Y183T106-V145 HydrophobicContact CG2-CG2 3.78Å; T106-V145 WeakPolarHBondContact O-CG2 3.49Å; A109-V145 HydrophobicContact CB-CG2 4.04Å; A112-V145 HydrophobicContact CB-CG1 3.74Å; A140-V145 HydrophobicContact CB-CB 4.2Å; A140-V145 HydrophobicContact CB-CG2 4.46Å; A140-V145 WeakPolarHBondContact O-CB 3.32Å; A140-V145 PolarHBondContact O-N 3.48Å; V145-Q147 WeakPolarHBondContact CG1-O 3.37Å; V145-Y183 VanDerWaalsContact O-CE1 3.31Å; V145-Y183 WeakPolarHBondContact O-CE1 3.25Å; V145-Y183 PolarHBondContact O-OH 3.46Å
146K88.2Confident90.6Very high90 Ų9016.1 Ų16.139%0.3918%0.08SC..  trans-91.7-12.1-176.7-63.8-47.8-175.5-167.50113.5Y141 G144Y141-K146 HydrophobicContact CD2-CD 4.01Å; Y141-K146 HydrophobicContact CE2-CD 3.8Å; Y141-K146 PolarHBondContact O-NZ 3.49Å; G144-K146 PolarHBondContact O-N 3.49Å
147Q93.6Very high91Very high38 Ų3819.1 Ų19.118%0.17810%0.1CC..EExtended strand (participates in β ladder)trans-104.4131.8174.7-64.9-178.9109.800110D110 C111 A112 V145 M239 E240D110-Q147 PolarHBondContact O-NE2 3.47Å; C111-Q147 HydrophobicContact CB-CB 4.12Å; A112-Q147 PolarHBondContact N-O 3.16Å; V145-Q147 WeakPolarHBondContact CG1-O 3.37Å; Q147-M239 HydrophobicContact CB-SD 3.96Å; Q147-E240 PolarHBondContact NE2-O 3Å; Q147-E240 PolarHBondContact OE1-O 3.04Å
148L96.3Very high91.4Very high1 Ų119.3 Ų19.31%0.00510%0.101CC..EExtended strand (participates in β ladder)trans-134.5136.3-176.2-176.368.8000108.2A112 L114 I150 I178 Y183 V188 P189A112-L148 HydrophobicContact CB-CD1 3.84Å; A112-L148 CarbonylContact O-C 3.34Å; A112-L148 WeakPolarHBondContact O-CA 3.43Å; L114-L148 HydrophobicContact CB-CD1 3.9Å; L148-I150 HydrophobicContact CD1-CD1 4.43Å; L148-I150 HydrophobicContact CD2-CD1 3.72Å; L148-I150 HydrophobicContact CG-CD1 3.87Å; L148-I178 HydrophobicContact CD2-CB 4.43Å; L148-I178 HydrophobicContact CD2-CD1 4.46Å; L148-I178 HydrophobicContact CD2-CG2 3.93Å; L148-Y183 HydrophobicContact CB-CD1 4.01Å; L148-Y183 HydrophobicContact CB-CE1 3.81Å; L148-Y183 HydrophobicContact CD2-CD1 4.4Å; L148-Y183 HydrophobicContact CD2-CD2 3.95Å; L148-Y183 HydrophobicContact CD2-CE1 4.4Å; L148-Y183 HydrophobicContact CD2-CE2 3.93Å; L148-Y183 HydrophobicContact CD2-CG 4.18Å; L148-V188 HydrophobicContact CB-CG1 4.41Å; L148-V188 HydrophobicContact CB-CG2 4.06Å; L148-V188 HydrophobicContact CD2-CG1 4.46Å; L148-V188 HydrophobicContact CG-CG1 4.37Å; L148-V188 WeakPolarHBondContact O-CG1 3.4Å; L148-P189 WeakPolarHBondContact O-CD 3.41Å
149I97.8Very high91.9Very high0 Ų026.2 Ų26.20%013%0.133CC..EExtended strand (participates in β ladder)trans-113.7134.3167.6-62.8173.9000107.1A112 L114 P189 V191 L232 A235 L236 M239A112-I149 PolarHBondContact O-N 3.33Å; L114-I149 PolarHBondContact N-O 2.95Å; I149-P189 HydrophobicContact CB-CG 4.27Å; I149-P189 HydrophobicContact CG1-CG 3.82Å; I149-P189 HydrophobicContact CG2-CG 4.16Å; I149-V191 HydrophobicContact CG2-CG2 4.44Å; I149-L232 HydrophobicContact CG2-CD1 3.84Å; I149-A235 HydrophobicContact CD1-CB 4.17Å; I149-A235 HydrophobicContact CG2-CB 4.32Å; I149-L236 HydrophobicContact CD1-CB 4.46Å; I149-L236 HydrophobicContact CD1-CD2 3.54Å; I149-L236 HydrophobicContact CD1-CG 3.95Å; I149-M239 HydrophobicContact CD1-CE 3.97Å; I149-M239 HydrophobicContact CD1-CG 3.71Å; I149-M239 HydrophobicContact CD1-SD 4.06Å; I149-M239 HydrophobicContact CG1-CE 3.69Å; I149-M239 HydrophobicContact CG1-CG 4.18Å; I149-M239 HydrophobicContact CG1-SD 3.83Å
150I98Very high92.5Very high0 Ų030.6 Ų30.60%016%0.161CC..EExtended strand (participates in β ladder)trans-103.1113.5171.6-54.2-56.6000108.5L114 V116 L148 I152 V174 V188 P189 F190 V191L114-I150 HydrophobicContact CB-CD1 3.76Å; L114-I150 HydrophobicContact CD2-CD1 3.73Å; L114-I150 HydrophobicContact CG-CD1 4.11Å; L114-I150 WeakPolarHBondContact O-CA 3.42Å; V116-I150 HydrophobicContact CG2-CG2 4.03Å; L148-I150 HydrophobicContact CD1-CD1 4.43Å; L148-I150 HydrophobicContact CD2-CD1 3.72Å; L148-I150 HydrophobicContact CG-CD1 3.87Å; I150-I152 HydrophobicContact CG2-CG1 3.96Å; I150-V174 HydrophobicContact CD1-CG1 4.05Å; I150-V174 HydrophobicContact CG1-CG1 4.14Å; I150-V174 HydrophobicContact CG2-CG1 4.31Å; I150-V188 HydrophobicContact CD1-CG1 4.33Å; I150-V188 HydrophobicContact CG1-CG1 3.59Å; I150-P189 PolarHBondContact N-O 3.46Å; I150-F190 HydrophobicContact CB-CD1 3.59Å; I150-F190 HydrophobicContact CB-CE1 3.82Å; I150-F190 HydrophobicContact CB-CG 4.15Å; I150-F190 HydrophobicContact CG1-CD1 3.89Å; I150-F190 HydrophobicContact CG1-CE1 3.59Å; I150-F190 HydrophobicContact CG1-CE2 4.5Å; I150-F190 HydrophobicContact CG1-CG 4.49Å; I150-F190 HydrophobicContact CG1-CZ 3.92Å; I150-F190 HydrophobicContact CG2-CD1 3.66Å; I150-F190 HydrophobicContact CG2-CE1 3.88Å; I150-F190 CarbonylContact O-C 3.08Å; I150-F190 WeakPolarHBondContact O-CA 3.41Å; I150-V191 PolarHBondContact O-N 3.28Å
151A98.2Very high92.9Very high0 Ų034.7 Ų34.70%019%0.188CC..EExtended strand (participates in β ladder)trans-98.6106.6170.900000108.6M113 L114 I115 V116 N153 V191 I193 L232M113-A151 HydrophobicContact CG-CB 4.47Å; L114-A151 PolarHBondContact O-N 2.99Å; I115-A151 WeakPolarHBondContact CA-O 3.25Å; I115-A151 HydrophobicContact CD1-CB 3.51Å; V116-A151 PolarHBondContact N-O 3.18Å; A151-N153 PolarHBondContact O-N 3.2Å; A151-V191 CarbonylContact C-O 3.54Å; A151-V191 WeakPolarHBondContact CA-O 3.45Å; A151-I193 HydrophobicContact CB-CD1 3.56Å; A151-I193 HydrophobicContact CB-CG1 4.18Å; A151-L232 HydrophobicContact CB-CD1 4.23Å
152I98.3Very high93.4Very high0 Ų032.9 Ų32.90%018%0.182CC..EExtended strand (participates in β ladder)trans-82.295.5176.8-61.5176.9000106.8V116 A118 I150 M155 Y167 I170 V171 F190 V191 P192 I193V116-I152 CarbonylContact O-C 3.59Å; V116-I152 WeakPolarHBondContact O-CA 3.17Å; A118-I152 HydrophobicContact CB-CG2 3.81Å; I150-I152 HydrophobicContact CG2-CG1 3.96Å; I152-M155 HydrophobicContact CG2-SD 3.7Å; I152-M155 WeakPolarHBondContact O-CG 3.26Å; I152-Y167 HydrophobicContact CB-CD2 4.43Å; I152-Y167 HydrophobicContact CD1-CD2 3.56Å; I152-Y167 HydrophobicContact CD1-CE2 3.62Å; I152-I170 HydrophobicContact CD1-CB 4.12Å; I152-I170 HydrophobicContact CD1-CG2 3.59Å; I152-I170 HydrophobicContact CG1-CG2 3.9Å; I152-I170 HydrophobicContact CG2-CD1 3.95Å; I152-I170 HydrophobicContact CG2-CG2 4.24Å; I152-V171 HydrophobicContact CD1-CG2 3.65Å; I152-F190 HydrophobicContact CD1-CD1 4.2Å; I152-V191 PolarHBondContact N-O 2.79Å; I152-P192 WeakPolarHBondContact O-CA 3.39Å; I152-I193 PolarHBondContact O-N 2.75Å
153N98.3Very high94.4Very high4 Ų433 Ų332%0.02118%0.183CC..EExtended strand (participates in β ladder)trans-90.4165.8-170.8-165.723.8000112.4S18 T23 I115 V116 A117 A118 A151 M155 I193 G195S18-N153 PolarHBondContact O-ND2 3.1Å; T23-N153 PolarHBondContact OG1-ND2 2.86Å; I115-N153 HydrophobicContact CG2-CB 3.71Å; V116-N153 PolarHBondContact O-N 3.16Å; A117-N153 CarbonylContact C-O 3.13Å; A118-N153 VanDerWaalsContact CB-O 3.3Å; A118-N153 WeakPolarHBondContact CB-O 3.25Å; A118-N153 PolarHBondContact N-O 2.92Å; A151-N153 PolarHBondContact O-N 3.2Å; N153-M155 VanDerWaalsContact C-N 3.29Å; N153-M155 PolarHBondContact O-N 2.84Å; N153-I193 CarbonylContact C-O 3.54Å; N153-I193 WeakPolarHBondContact CA-O 3.49Å; N153-I193 HydrophobicContact CB-CD1 4.29Å; N153-I193 HydrophobicContact CB-CG1 4.08Å; N153-G195 PolarHBondContact OD1-N 3.1Å
154K97.4Very high95.4Very high40 Ų4035.6 Ų35.617%0.17420%0.195CC..  trans59.238.2-178-49-170.4-174.3178.30112.7D17 A117 E122 D156 C157 I193D17-K154 WeakPolarHBondContact O-CE 3.23Å; D17-K154 PolarHBondContact O-NZ 3.13Å; A117-K154 HydrophobicContact CB-CD 4.3Å; E122-K154 IonicContact OE1-NZ 2.83Å; E122-K154 PolarHBondContact OE1-NZ 3.03Å; E122-K154 VanDerWaalsContact OE2-CD 3.29Å; E122-K154 WeakPolarHBondContact OE2-CD 3.29Å; E122-K154 VanDerWaalsContact OE2-CE 3.31Å; E122-K154 WeakPolarHBondContact OE2-CE 3.04Å; E122-K154 IonicContact OE2-NZ 3.28Å; E122-K154 PolarHBondContact OE2-NZ 3.26Å; K154-D156 WeakPolarHBondContact CA-OD1 3.19Å; K154-D156 PolarHBondContact O-N 3.48Å; K154-C157 HydrophobicContact CB-CB 4.06Å; K154-C157 WeakPolarHBondContact O-CB 3.14Å; K154-C157 PolarHBondContact O-N 2.86Å; K154-I193 PolarHBondContact N-O 2.86Å
155M98.2Very high96.2Very high0 Ų040.3 Ų40.30%022%0.215CC..G310 helixtrans-61-28.1174.5-72-61.4-57.100112.3A118 I152 N153 C157 T158 F162 S163 P192 I193 M208 W210A118-M155 HydrophobicContact CB-SD 3.8Å; I152-M155 HydrophobicContact CG2-SD 3.7Å; I152-M155 WeakPolarHBondContact O-CG 3.26Å; N153-M155 VanDerWaalsContact C-N 3.29Å; N153-M155 PolarHBondContact O-N 2.84Å; M155-C157 PolarHBondContact O-N 3.42Å; M155-T158 HydrophobicContact CE-CG2 4.29Å; M155-T158 PolarHBondContact O-N 2.9Å; M155-T158 PolarHBondContact O-OG1 2.8Å; M155-T158 VanDerWaalsContact O-OG1 3.05Å; M155-T158 HydrophobicContact SD-CG2 4.28Å; M155-F162 HydrophobicContact CB-CD1 3.83Å; M155-F162 HydrophobicContact CB-CE1 4.24Å; M155-F162 WeakPolarHBondContact O-CA 3.27Å; M155-F162 PolarHBondContact O-N 2.85Å; M155-S163 WeakPolarHBondContact CE-O 3.43Å; M155-P192 HydrophobicContact CE-CB 4.38Å; M155-P192 HydrophobicContact CG-CB 3.84Å; M155-P192 HydrophobicContact SD-CB 4.13Å; M155-I193 WeakPolarHBondContact CG-O 3.28Å; M155-I193 PolarHBondContact N-O 2.83Å; M155-M208 HydrophobicContact CB-SD 4.18Å; M155-M208 HydrophobicContact CE-SD 4.44Å; M155-M208 HydrophobicContact CG-SD 4.19Å; M155-W210 HydrophobicContact CE-CH2 3.99Å; M155-W210 HydrophobicContact CE-CZ2 3.84Å
156D96.8Very high96.7Very high31 Ų3141.3 Ų41.317%0.16622%0.218CC..G310 helixtrans-61.4-24.1170.753.7-74.5000113.6K154 P161 F162 S194 H197K154-D156 WeakPolarHBondContact CA-OD1 3.19Å; K154-D156 PolarHBondContact O-N 3.48Å; D156-P161 WeakPolarHBondContact O-CB 3.2Å; D156-F162 HydrophobicContact CB-CE1 4.18Å; D156-F162 HydrophobicContact CB-CE2 4.16Å; D156-F162 HydrophobicContact CB-CZ 3.7Å; D156-S194 WeakPolarHBondContact OD1-CB 3.26Å; D156-S194 PolarHBondContact OD1-OG 2.78Å; D156-H197 IonicContact OD2-CD2 2.67Å; D156-H197 IonicContact OD2-NE2 3.5Å
157C95.2Very high97.2Very high63 Ų6338.4 Ų38.443%0.42621%0.205SC..G310 helixtrans-97.78.3-178.5-64.70000113.6K154 M155K154-C157 HydrophobicContact CB-CB 4.06Å; K154-C157 WeakPolarHBondContact O-CB 3.14Å; K154-C157 PolarHBondContact O-N 2.86Å; M155-C157 PolarHBondContact O-N 3.42Å
158T97.2Very high97.4Very high4 Ų441.7 Ų41.73%0.02522%0.219CC..SBendtrans-74.8165.5173.863.30000110.7A118 M155 P160 P161 F162 S163 R166A118-T158 HydrophobicContact CB-CG2 3.64Å; M155-T158 HydrophobicContact CE-CG2 4.29Å; M155-T158 PolarHBondContact O-N 2.9Å; M155-T158 PolarHBondContact O-OG1 2.8Å; M155-T158 VanDerWaalsContact O-OG1 3.05Å; M155-T158 HydrophobicContact SD-CG2 4.28Å; T158-P160 CarbonylContact C-O 3.52Å; T158-P160 WeakPolarHBondContact CB-O 3.32Å; T158-P160 CarbonylContact O-C 2.95Å; T158-P160 VanDerWaalsContact O-O 3.1Å; T158-P160 PolarHBondContact OG1-O 3.45Å; T158-P161 VanDerWaalsContact O-CA 3.28Å; T158-P161 WeakPolarHBondContact O-CA 3.46Å; T158-F162 PolarHBondContact OG1-N 2.77Å; T158-S163 PolarHBondContact OG1-N 3.35Å; T158-R166 HydrophobicContact CG2-CB 4.21Å; T158-R166 HydrophobicContact CG2-CG 3.79Å
159E95.1Very high97.4Very high155 Ų15545.4 Ų45.472%0.72424%0.236SC*.SBendtrans-118.1107.9176.3-66.5-179.2-16400109.7V120V120-E159 HydrophobicContact CG2-CG 4.37Å
160P96.1Very high97.4Very high92 Ų9245.4 Ų45.460%0.59724%0.236SC*.SBendcis-67.2164.5-7.931.7-36.8000112.7T158 F162 S163T158-P160 CarbonylContact C-O 3.52Å; T158-P160 WeakPolarHBondContact CB-O 3.32Å; T158-P160 CarbonylContact O-C 2.95Å; T158-P160 VanDerWaalsContact O-O 3.1Å; T158-P160 PolarHBondContact OG1-O 3.45Å; P160-F162 PolarHBondContact O-N 2.92Å; P160-S163 VanDerWaalsContact O-CB 3.25Å; P160-S163 WeakPolarHBondContact O-CB 3.46Å; P160-S163 PolarHBondContact O-N 3.18Å
161P96.8Very high97.3Very high86 Ų8646.8 Ų46.856%0.55825%0.245SC*.THydrogen-bonded Turntrans-53.9138.3176.3-29.937.2000112.2D156 T158D156-P161 WeakPolarHBondContact O-CB 3.2Å; T158-P161 VanDerWaalsContact O-CA 3.28Å; T158-P161 WeakPolarHBondContact O-CA 3.46Å
162F97.3Very high97.3Very high31 Ų3154.8 Ų54.814%0.13628%0.279CS..THydrogen-bonded Turntrans58.940.2-177.5-53.5-82.2000114.3M155 D156 T158 P160 E164 D199 N207 M208 W210M155-F162 HydrophobicContact CB-CD1 3.83Å; M155-F162 HydrophobicContact CB-CE1 4.24Å; M155-F162 WeakPolarHBondContact O-CA 3.27Å; M155-F162 PolarHBondContact O-N 2.85Å; D156-F162 HydrophobicContact CB-CE1 4.18Å; D156-F162 HydrophobicContact CB-CE2 4.16Å; D156-F162 HydrophobicContact CB-CZ 3.7Å; T158-F162 PolarHBondContact OG1-N 2.77Å; P160-F162 PolarHBondContact O-N 2.92Å; F162-E164 PolarHBondContact O-N 3Å; F162-D199 HydrophobicContact CE1-CB 4.32Å; F162-N207 HydrophobicContact CD1-CB 3.88Å; F162-N207 HydrophobicContact CD2-CB 3.71Å; F162-N207 HydrophobicContact CE1-CB 3.83Å; F162-N207 HydrophobicContact CE2-CB 3.67Å; F162-N207 HydrophobicContact CG-CB 3.81Å; F162-N207 HydrophobicContact CZ-CB 3.72Å; F162-M208 HydrophobicContact CB-CG 3.85Å; F162-M208 HydrophobicContact CD1-CE 4.12Å; F162-M208 HydrophobicContact CD1-CG 3.69Å; F162-M208 HydrophobicContact CD1-SD 3.97Å; F162-M208 HydrophobicContact CE1-CE 4.37Å; F162-M208 HydrophobicContact CG-CG 4.15Å; F162-W210 WeakPolarHBondContact O-CZ2 3.36Å; F162-W210 PolarHBondContact O-NE1 2.8Å
163S98Very high97.1Very high16 Ų1659 Ų5911%0.11230%0.299CS..  trans-69.5121.1-177.4172.80000113M155 T158 P160 D165 R166 Y167M155-S163 WeakPolarHBondContact CE-O 3.43Å; T158-S163 PolarHBondContact OG1-N 3.35Å; P160-S163 VanDerWaalsContact O-CB 3.25Å; P160-S163 WeakPolarHBondContact O-CB 3.46Å; P160-S163 PolarHBondContact O-N 3.18Å; S163-D165 PolarHBondContact OG-N 2.9Å; S163-R166 PolarHBondContact OG-N 3.06Å; S163-Y167 PolarHBondContact O-N 3.15Å; S163-Y167 VanDerWaalsContact O-N 3.16Å
164E98.1Very high97Very high72 Ų7259 Ų5934%0.33630%0.299SS..Hα-helixtrans-64-39.2173.7-176.7176.3-178.600112.1F162 Y167 K168 W210F162-E164 PolarHBondContact O-N 3Å; E164-Y167 WeakPolarHBondContact O-CB 3.29Å; E164-Y167 PolarHBondContact O-N 2.98Å; E164-K168 HydrophobicContact CG-CD 4.17Å; E164-K168 HydrophobicContact CG-CG 4.5Å; E164-K168 WeakPolarHBondContact O-CG 3.22Å; E164-K168 PolarHBondContact O-N 3.44Å; E164-K168 WeakPolarHBondContact OE1-CE 3.34Å; E164-K168 IonicContact OE1-NZ 2.83Å; E164-K168 PolarHBondContact OE1-NZ 3.36Å; E164-K168 IonicContact OE2-NZ 3.84Å; E164-W210 HydrophobicContact CB-CB 4.38Å; E164-W210 HydrophobicContact CB-CD2 3.57Å; E164-W210 HydrophobicContact CB-CE3 3.83Å; E164-W210 HydrophobicContact CB-CG 3.82Å; E164-W210 HydrophobicContact CB-CZ2 4.37Å; E164-W210 HydrophobicContact CB-CZ3 4.36Å; E164-W210 HydrophobicContact CG-CB 4.35Å; E164-W210 HydrophobicContact CG-CD2 3.8Å; E164-W210 HydrophobicContact CG-CE3 3.56Å; E164-W210 HydrophobicContact CG-CG 4.15Å; E164-W210 HydrophobicContact CG-CZ3 4.13Å; E164-W210 WeakPolarHBondContact OE2-CB 3.09Å
165D97.9Very high97Very high121 Ų12158.3 Ų58.365%0.64730%0.299SS*.Hα-helixtrans-65.7-42.4-178.8-71.9-23.6000111.1S163 K168 E169S163-D165 PolarHBondContact OG-N 2.9Å; D165-K168 PolarHBondContact O-N 2.96Å; D165-E169 WeakPolarHBondContact O-CB 3.44Å; D165-E169 PolarHBondContact O-N 3.3Å
166R97.8Very high96.8Very high24 Ų2460 Ų609%0.09132%0.317CS..Hα-helixtrans-63.6-41.7174.9-176.853.4169.2-176-5.7111.6A118 G119 F123 E124 T158 S163 E169 I170A118-R166 PolarHBondContact O-NE 3.39Å; G119-R166 PolarHBondContact O-NH2 3.14Å; F123-R166 VanDerWaalsContact CB-NH2 3.27Å; E124-R166 IonicContact OE1-CZ 2.79Å; E124-R166 VanDerWaalsContact OE1-CZ 3.3Å; E124-R166 IonicContact OE1-NH1 3.5Å; E124-R166 PolarHBondContact OE1-NH1 3.31Å; E124-R166 IonicContact OE1-NH2 2.74Å; E124-R166 PolarHBondContact OE1-NH2 3.45Å; E124-R166 IonicContact OE2-NH2 3.53Å; E124-R166 PolarHBondContact OE2-NH2 2.95Å; E124-R166 VanDerWaalsContact OE2-NH2 3.16Å; T158-R166 HydrophobicContact CG2-CB 4.21Å; T158-R166 HydrophobicContact CG2-CG 3.79Å; S163-R166 PolarHBondContact OG-N 3.06Å; R166-E169 VanDerWaalsContact CD-OE2 3.28Å; R166-E169 WeakPolarHBondContact CD-OE2 3.32Å; R166-E169 IonicContact CZ-OE2 3.3Å; R166-E169 IonicContact NE-OE2 3.16Å; R166-E169 VanDerWaalsContact NH1-CD 3.29Å; R166-E169 IonicContact NH1-OE1 2.86Å; R166-E169 PolarHBondContact NH1-OE1 3.29Å; R166-E169 IonicContact NH1-OE2 2.81Å; R166-E169 PolarHBondContact NH1-OE2 3.43Å; R166-E169 PolarHBondContact O-N 2.93Å; R166-I170 HydrophobicContact CG-CD1 4.04Å; R166-I170 VanDerWaalsContact O-CG1 3.3Å; R166-I170 WeakPolarHBondContact O-CG1 3.46Å; R166-I170 PolarHBondContact O-N 3.41Å; R166-I170 VanDerWaalsContact O-N 3.09Å
167Y98.2Very high96.5Very high29 Ų2960.8 Ų60.811%0.11432%0.318CS..Hα-helixtrans-58.2-50.2173.2168.3-97.9000111.6I152 S163 E164 E169 I170 V171 F190 P192 W210 F211I152-Y167 HydrophobicContact CB-CD2 4.43Å; I152-Y167 HydrophobicContact CD1-CD2 3.56Å; I152-Y167 HydrophobicContact CD1-CE2 3.62Å; S163-Y167 PolarHBondContact O-N 3.15Å; S163-Y167 VanDerWaalsContact O-N 3.16Å; E164-Y167 WeakPolarHBondContact O-CB 3.29Å; E164-Y167 PolarHBondContact O-N 2.98Å; Y167-E169 VanDerWaalsContact C-N 3.34Å; Y167-E169 PolarHBondContact O-N 3.06Å; Y167-I170 PolarHBondContact O-N 3.49Å; Y167-V171 HydrophobicContact CD1-CG2 4.23Å; Y167-V171 HydrophobicContact CD2-CG2 4.14Å; Y167-V171 HydrophobicContact CE1-CG2 3.8Å; Y167-V171 HydrophobicContact CE2-CG2 3.74Å; Y167-V171 HydrophobicContact CG-CG2 4.38Å; Y167-V171 WeakPolarHBondContact O-CG2 3.38Å; Y167-V171 PolarHBondContact O-N 3.01Å; Y167-F190 HydrophobicContact CE2-CB 4.47Å; Y167-F190 PolarHBondContact OH-O 3.39Å; Y167-P192 HydrophobicContact CD2-CB 3.65Å; Y167-P192 HydrophobicContact CD2-CG 4.07Å; Y167-P192 HydrophobicContact CE2-CB 3.78Å; Y167-P192 HydrophobicContact CE2-CG 3.79Å; Y167-W210 HydrophobicContact CD1-CH2 4.02Å; Y167-W210 AromaticContact CD1-CZ3 3.65Å; Y167-W210 HydrophobicContact CD1-CZ3 3.65Å; Y167-W210 HydrophobicContact CD2-CH2 4.32Å; Y167-W210 HydrophobicContact CE1-CZ3 4.2Å; Y167-W210 AromaticContact CG-CH2 3.75Å; Y167-W210 HydrophobicContact CG-CH2 3.75Å; Y167-W210 AromaticContact CG-CZ3 3.89Å; Y167-W210 HydrophobicContact CG-CZ3 3.89Å; Y167-F211 HydrophobicContact CE1-CD2 4.48Å; Y167-F211 AromaticContact CZ-CE2 3.97Å; Y167-F211 WeakPolarHBondContact OH-CE2 3.38Å
168K97.9Very high96.4Very high106 Ų10657.8 Ų57.846%0.46130%0.298SS..Hα-helixtrans-61-40.4-179.7-74.8173.1-179.4162.90112.7E164 D165 V171 K172E164-K168 HydrophobicContact CG-CD 4.17Å; E164-K168 HydrophobicContact CG-CG 4.5Å; E164-K168 WeakPolarHBondContact O-CG 3.22Å; E164-K168 PolarHBondContact O-N 3.44Å; E164-K168 WeakPolarHBondContact OE1-CE 3.34Å; E164-K168 IonicContact OE1-NZ 2.83Å; E164-K168 PolarHBondContact OE1-NZ 3.36Å; E164-K168 IonicContact OE2-NZ 3.84Å; D165-K168 PolarHBondContact O-N 2.96Å; K168-V171 PolarHBondContact O-N 3.34Å; K168-K172 WeakPolarHBondContact O-CB 2.76Å; K168-K172 PolarHBondContact O-N 2.99Å
169E97.1Very high96.2Very high79 Ų7964.7 Ų64.737%0.36933%0.327SS..Hα-helixtrans-56.7-53.7173.7-176.9-166.9-179.700110.8D165 R166 Y167 V171 K172 E173D165-E169 WeakPolarHBondContact O-CB 3.44Å; D165-E169 PolarHBondContact O-N 3.3Å; R166-E169 VanDerWaalsContact CD-OE2 3.28Å; R166-E169 WeakPolarHBondContact CD-OE2 3.32Å; R166-E169 IonicContact CZ-OE2 3.3Å; R166-E169 IonicContact NE-OE2 3.16Å; R166-E169 VanDerWaalsContact NH1-CD 3.29Å; R166-E169 IonicContact NH1-OE1 2.86Å; R166-E169 PolarHBondContact NH1-OE1 3.29Å; R166-E169 IonicContact NH1-OE2 2.81Å; R166-E169 PolarHBondContact NH1-OE2 3.43Å; R166-E169 PolarHBondContact O-N 2.93Å; Y167-E169 VanDerWaalsContact C-N 3.34Å; Y167-E169 PolarHBondContact O-N 3.06Å; E169-V171 PolarHBondContact O-N 2.98Å; E169-K172 WeakPolarHBondContact O-CB 3.13Å; E169-K172 PolarHBondContact O-N 3.48Å; E169-E173 PolarHBondContact O-N 2.8Å
170I97.2Very high95.8Very high0 Ų064.9 Ų64.90%033%0.326CS..Hα-helixtrans-61-45.8-179.7-66.9167.3000110.9V116 A118 F123 I152 R166 Y167 K172 E173 V174V116-I170 HydrophobicContact CG1-CG2 3.97Å; A118-I170 HydrophobicContact CB-CD1 3.68Å; F123-I170 HydrophobicContact CD1-CG1 4.06Å; F123-I170 HydrophobicContact CD2-CD1 4.38Å; F123-I170 HydrophobicContact CD2-CG1 3.93Å; F123-I170 HydrophobicContact CD2-CG2 4.13Å; F123-I170 HydrophobicContact CE1-CG1 4.11Å; F123-I170 HydrophobicContact CE2-CB 4.24Å; F123-I170 HydrophobicContact CE2-CG1 3.99Å; F123-I170 HydrophobicContact CE2-CG2 3.73Å; F123-I170 HydrophobicContact CG-CD1 4.38Å; F123-I170 HydrophobicContact CG-CG1 3.97Å; F123-I170 HydrophobicContact CZ-CB 4.34Å; F123-I170 HydrophobicContact CZ-CG1 4.08Å; F123-I170 HydrophobicContact CZ-CG2 4.25Å; I152-I170 HydrophobicContact CD1-CB 4.12Å; I152-I170 HydrophobicContact CD1-CG2 3.59Å; I152-I170 HydrophobicContact CG1-CG2 3.9Å; I152-I170 HydrophobicContact CG2-CD1 3.95Å; I152-I170 HydrophobicContact CG2-CG2 4.24Å; R166-I170 HydrophobicContact CG-CD1 4.04Å; R166-I170 VanDerWaalsContact O-CG1 3.3Å; R166-I170 WeakPolarHBondContact O-CG1 3.46Å; R166-I170 PolarHBondContact O-N 3.41Å; R166-I170 VanDerWaalsContact O-N 3.09Å; Y167-I170 PolarHBondContact O-N 3.49Å; I170-K172 VanDerWaalsContact C-N 3.31Å; I170-K172 PolarHBondContact O-N 3.05Å; I170-E173 PolarHBondContact O-N 3.09Å; I170-V174 HydrophobicContact CG2-CG2 3.95Å; I170-V174 VanDerWaalsContact O-CB 3.31Å; I170-V174 WeakPolarHBondContact O-CB 3.37Å; I170-V174 VanDerWaalsContact O-CG2 3.27Å; I170-V174 WeakPolarHBondContact O-CG2 3.35Å; I170-V174 PolarHBondContact O-N 3.18Å
171V97.4Very high95.3Very high30 Ų3061.4 Ų61.418%0.18230%0.303CS..Hα-helixtrans-57.2-45.9177.21730000110.6I152 Y167 K168 E169 S175 F190I152-V171 HydrophobicContact CD1-CG2 3.65Å; Y167-V171 HydrophobicContact CD1-CG2 4.23Å; Y167-V171 HydrophobicContact CD2-CG2 4.14Å; Y167-V171 HydrophobicContact CE1-CG2 3.8Å; Y167-V171 HydrophobicContact CE2-CG2 3.74Å; Y167-V171 HydrophobicContact CG-CG2 4.38Å; Y167-V171 WeakPolarHBondContact O-CG2 3.38Å; Y167-V171 PolarHBondContact O-N 3.01Å; K168-V171 PolarHBondContact O-N 3.34Å; E169-V171 PolarHBondContact O-N 2.98Å; V171-S175 WeakPolarHBondContact O-CB 3.46Å; V171-S175 PolarHBondContact O-N 2.96Å; V171-S175 PolarHBondContact O-OG 2.72Å; V171-F190 HydrophobicContact CB-CD1 4.22Å; V171-F190 HydrophobicContact CG1-CD1 4.11Å; V171-F190 HydrophobicContact CG1-CD2 4.27Å; V171-F190 HydrophobicContact CG1-CE1 4.29Å; V171-F190 HydrophobicContact CG1-CE2 4.47Å; V171-F190 HydrophobicContact CG1-CG 4.08Å; V171-F190 HydrophobicContact CG1-CZ 4.48Å; V171-F190 HydrophobicContact CG2-CB 3.87Å; V171-F190 HydrophobicContact CG2-CD1 3.75Å; V171-F190 HydrophobicContact CG2-CG 3.94Å
172K97.1Very high94.9Very high168 Ų16858.9 Ų58.973%0.7329%0.293SS*.Hα-helixtrans-60.9-48.6-179.8-178.3-177.6179-176.80111.7K168 E169 I170 G176K168-K172 WeakPolarHBondContact O-CB 2.76Å; K168-K172 PolarHBondContact O-N 2.99Å; E169-K172 WeakPolarHBondContact O-CB 3.13Å; E169-K172 PolarHBondContact O-N 3.48Å; I170-K172 VanDerWaalsContact C-N 3.31Å; I170-K172 PolarHBondContact O-N 3.05Å; K172-G176 PolarHBondContact O-N 3.23Å; K172-G176 VanDerWaalsContact O-N 3.11Å
173E95.2Very high94.7Very high89 Ų8957.9 Ų57.942%0.41629%0.288SS..Hα-helixtrans-68.4-47.8-178.1-70.4-153173.400112.8F123 I127 E169 I170 S175 G176 Y177F123-E173 HydrophobicContact CE1-CB 4.39Å; F123-E173 WeakPolarHBondContact CE1-OE2 3.48Å; F123-E173 HydrophobicContact CZ-CB 3.89Å; I127-E173 WeakPolarHBondContact CD1-OE2 3.21Å; E169-E173 PolarHBondContact O-N 2.8Å; I170-E173 PolarHBondContact O-N 3.09Å; E173-S175 VanDerWaalsContact C-N 3.35Å; E173-S175 PolarHBondContact O-N 2.98Å; E173-G176 PolarHBondContact O-N 3.11Å; E173-Y177 PolarHBondContact O-N 3.16Å
174V95.7Very high94.5Very high4 Ų461.3 Ų61.32%0.02431%0.305CS..Hα-helixtrans-64.4-41.4179.3175.50000110.3V116 F123 I150 I170 G176 Y177 I178 F190V116-V174 HydrophobicContact CG1-CG2 4.44Å; F123-V174 HydrophobicContact CE2-CG2 3.86Å; F123-V174 HydrophobicContact CZ-CG2 4.3Å; I150-V174 HydrophobicContact CD1-CG1 4.05Å; I150-V174 HydrophobicContact CG1-CG1 4.14Å; I150-V174 HydrophobicContact CG2-CG1 4.31Å; I170-V174 HydrophobicContact CG2-CG2 3.95Å; I170-V174 VanDerWaalsContact O-CB 3.31Å; I170-V174 WeakPolarHBondContact O-CB 3.37Å; I170-V174 VanDerWaalsContact O-CG2 3.27Å; I170-V174 WeakPolarHBondContact O-CG2 3.35Å; I170-V174 PolarHBondContact O-N 3.18Å; V174-G176 PolarHBondContact O-N 2.89Å; V174-Y177 WeakPolarHBondContact O-CB 3.44Å; V174-Y177 PolarHBondContact O-N 3.4Å; V174-Y177 VanDerWaalsContact O-N 3.08Å; V174-I178 HydrophobicContact CG1-CG2 4.07Å; V174-I178 WeakPolarHBondContact O-CG1 3.44Å; V174-I178 WeakPolarHBondContact O-CG2 3.33Å; V174-I178 PolarHBondContact O-N 3.39Å; V174-F190 HydrophobicContact CB-CE1 3.98Å; V174-F190 HydrophobicContact CG1-CE1 3.8Å; V174-F190 HydrophobicContact CG1-CZ 4.32Å
175S96.2Very high94.4Very high25 Ų2559.2 Ų59.218%0.17530%0.298CS..Hα-helixtrans-57.6-46.5174.2-68.40000112.3V171 E173 Y177 K179 P185 F190V171-S175 WeakPolarHBondContact O-CB 3.46Å; V171-S175 PolarHBondContact O-N 2.96Å; V171-S175 PolarHBondContact O-OG 2.72Å; E173-S175 VanDerWaalsContact C-N 3.35Å; E173-S175 PolarHBondContact O-N 2.98Å; S175-Y177 PolarHBondContact O-N 3.38Å; S175-K179 VanDerWaalsContact O-CB 3.29Å; S175-K179 WeakPolarHBondContact O-CB 3.45Å; S175-K179 PolarHBondContact O-N 3.15Å; S175-K179 VanDerWaalsContact O-N 3.14Å; S175-P185 WeakPolarHBondContact O-CG 3.41Å; S175-F190 WeakPolarHBondContact OG-CZ 2.96Å
176G94.4Very high94.3Very high36 Ų3655.8 Ų55.837%0.37129%0.286SS..Hα-helixtrans-61.4-33.9176.300000112.6K172 E173 V174 K180K172-G176 PolarHBondContact O-N 3.23Å; K172-G176 VanDerWaalsContact O-N 3.11Å; E173-G176 PolarHBondContact O-N 3.11Å; V174-G176 PolarHBondContact O-N 2.89Å; G176-K180 WeakPolarHBondContact O-CG 3.4Å
177Y90.2Very high94.1Very high47 Ų4756.7 Ų56.718%0.18429%0.294CS..Hα-helixtrans-75.3-52.8178.3-178.5-96.4000113.1R134 A137 E173 V174 S175 K179 K180 V181R134-Y177 VanDerWaalsContact C-OH 3.26Å; R134-Y177 VanDerWaalsContact CA-CE1 3.47Å; R134-Y177 VanDerWaalsContact CA-CZ 3.45Å; R134-Y177 VanDerWaalsContact CA-OH 3.26Å; R134-Y177 WeakPolarHBondContact CA-OH 3.48Å; R134-Y177 HydrophobicContact CB-CE1 3.88Å; R134-Y177 HydrophobicContact CB-CE2 3.84Å; R134-Y177 WeakPolarHBondContact CB-OH 3.29Å; R134-Y177 HydrophobicContact CG-CD1 4.21Å; R134-Y177 HydrophobicContact CG-CD2 3.88Å; R134-Y177 HydrophobicContact CG-CE1 3.79Å; R134-Y177 HydrophobicContact CG-CE2 3.42Å; R134-Y177 VanDerWaalsContact CG-CE2 3.42Å; R134-Y177 HydrophobicContact CG-CG 4.27Å; R134-Y177 PolarHBondContact O-OH 2.94Å; A137-Y177 HydrophobicContact CB-CE1 4.19Å; E173-Y177 PolarHBondContact O-N 3.16Å; V174-Y177 WeakPolarHBondContact O-CB 3.44Å; V174-Y177 PolarHBondContact O-N 3.4Å; V174-Y177 VanDerWaalsContact O-N 3.08Å; S175-Y177 PolarHBondContact O-N 3.38Å; Y177-K179 PolarHBondContact O-N 2.92Å; Y177-K180 WeakPolarHBondContact O-CA 3.16Å; Y177-K180 WeakPolarHBondContact O-CB 3.44Å; Y177-K180 PolarHBondContact O-N 2.78Å; Y177-V181 HydrophobicContact CD1-CG2 4.09Å; Y177-V181 HydrophobicContact CE1-CG2 3.39Å; Y177-V181 HydrophobicContact CE2-CG2 4.45Å; Y177-V181 PolarHBondContact O-N 2.82Å; Y177-V181 VanDerWaalsContact O-N 3.1Å
178I93.4Very high94.1Very high0 Ų055.4 Ų55.40%029%0.29CS..Hα-helixtrans-63-29.4-177.967.6-178.8000111.5L148 V174 K180 V181 G182 Y183 P185 V188 F190L148-I178 HydrophobicContact CD2-CB 4.43Å; L148-I178 HydrophobicContact CD2-CD1 4.46Å; L148-I178 HydrophobicContact CD2-CG2 3.93Å; V174-I178 HydrophobicContact CG1-CG2 4.07Å; V174-I178 WeakPolarHBondContact O-CG1 3.44Å; V174-I178 WeakPolarHBondContact O-CG2 3.33Å; V174-I178 PolarHBondContact O-N 3.39Å; I178-K180 VanDerWaalsContact C-N 3.34Å; I178-K180 PolarHBondContact O-N 2.8Å; I178-V181 WeakPolarHBondContact O-CB 3.45Å; I178-V181 PolarHBondContact O-N 2.69Å; I178-G182 PolarHBondContact O-N 2.97Å; I178-Y183 HydrophobicContact CB-CD2 4.12Å; I178-Y183 PolarHBondContact O-N 3.11Å; I178-P185 HydrophobicContact CD1-CB 4.25Å; I178-P185 HydrophobicContact CD1-CG 4.33Å; I178-P185 HydrophobicContact CG1-CG 4.07Å; I178-V188 HydrophobicContact CD1-CB 4.21Å; I178-V188 HydrophobicContact CD1-CG1 4.02Å; I178-V188 HydrophobicContact CD1-CG2 4.16Å; I178-F190 HydrophobicContact CD1-CE2 4.49Å; I178-F190 HydrophobicContact CD1-CZ 3.95Å
179K93Very high94.1Very high149 Ų14950.4 Ų50.465%0.64827%0.268SS*.Hα-helixtrans-61.5-38.8170.3-171.8172.6-178.1173.60112.9S175 Y177 V181 G182 Y183 P185S175-K179 VanDerWaalsContact O-CB 3.29Å; S175-K179 WeakPolarHBondContact O-CB 3.45Å; S175-K179 PolarHBondContact O-N 3.15Å; S175-K179 VanDerWaalsContact O-N 3.14Å; Y177-K179 PolarHBondContact O-N 2.92Å; K179-V181 VanDerWaalsContact C-N 3.34Å; K179-G182 PolarHBondContact O-N 3.42Å; K179-Y183 WeakPolarHBondContact CA-O 3.36Å; K179-P185 HydrophobicContact CB-CG 3.89Å
180K87.1Confident94.1Very high159 Ų15947.3 Ų47.369%0.69125%0.253SS*.Hα-helixtrans-72.5-27.8175.5-68.8172.2-176.9175.20112.6G176 Y177 I178 R385G176-K180 WeakPolarHBondContact O-CG 3.4Å; Y177-K180 WeakPolarHBondContact O-CA 3.16Å; Y177-K180 WeakPolarHBondContact O-CB 3.44Å; Y177-K180 PolarHBondContact O-N 2.78Å; I178-K180 VanDerWaalsContact C-N 3.34Å; I178-K180 PolarHBondContact O-N 2.8Å; K180-R385 PolarHBondContact O-NH2 2.84Å
181V86.3Confident94.2Very high18 Ų1847.3 Ų47.311%0.10925%0.253CS..Hα-helixtrans-70.4-40.1172.8171.20000110.7L138 Y141 Y177 I178 K179 Y183L138-V181 HydrophobicContact CB-CG1 4.46Å; L138-V181 HydrophobicContact CB-CG2 4.47Å; Y141-V181 HydrophobicContact CD1-CG1 4.31Å; Y141-V181 HydrophobicContact CG-CG1 3.95Å; Y177-V181 HydrophobicContact CD1-CG2 4.09Å; Y177-V181 HydrophobicContact CE1-CG2 3.39Å; Y177-V181 HydrophobicContact CE2-CG2 4.45Å; Y177-V181 PolarHBondContact O-N 2.82Å; Y177-V181 VanDerWaalsContact O-N 3.1Å; I178-V181 WeakPolarHBondContact O-CB 3.45Å; I178-V181 PolarHBondContact O-N 2.69Å; K179-V181 VanDerWaalsContact C-N 3.34Å; V181-Y183 HydrophobicContact CB-CD2 4.36Å; V181-Y183 HydrophobicContact CG1-CD2 4Å; V181-Y183 HydrophobicContact CG1-CE2 3.93Å
182G88Confident94.2Very high34 Ų3445.9 Ų45.935%0.35125%0.245SC..THydrogen-bonded Turntrans132.5-0.917700000114.6Y141 I178 K179Y141-G182 VanDerWaalsContact CE2-C 3.46Å; Y141-G182 WeakPolarHBondContact CE2-O 3.46Å; I178-G182 PolarHBondContact O-N 2.97Å; K179-G182 PolarHBondContact O-N 3.42Å
183Y92.4Very high94.3Very high9 Ų937.9 Ų37.94%0.03521%0.21CC..  trans-72.6151171.3-65.4-81.1000110.8A137 A140 Y141 V145 L148 I178 K179 V181 P185A137-Y183 WeakPolarHBondContact O-CE2 3.39Å; A137-Y183 PolarHBondContact O-OH 2.97Å; A140-Y183 WeakPolarHBondContact CB-OH 3.41Å; Y141-Y183 WeakPolarHBondContact CA-OH 3.38Å; Y141-Y183 HydrophobicContact CD2-CD1 4.09Å; Y141-Y183 HydrophobicContact CD2-CD2 4.11Å; Y141-Y183 AromaticContact CD2-CE1 3.93Å; Y141-Y183 HydrophobicContact CD2-CE1 3.93Å; Y141-Y183 AromaticContact CD2-CE2 3.97Å; Y141-Y183 HydrophobicContact CD2-CE2 3.97Å; Y141-Y183 HydrophobicContact CD2-CG 4.18Å; Y141-Y183 AromaticContact CD2-CZ 3.88Å; Y141-Y183 HydrophobicContact CG-CE2 4.24Å; Y141-Y183 PolarHBondContact N-OH 2.98Å; Y141-Y183 VanDerWaalsContact N-OH 3.1Å; V145-Y183 VanDerWaalsContact O-CE1 3.31Å; V145-Y183 WeakPolarHBondContact O-CE1 3.25Å; V145-Y183 PolarHBondContact O-OH 3.46Å; L148-Y183 HydrophobicContact CB-CD1 4.01Å; L148-Y183 HydrophobicContact CB-CE1 3.81Å; L148-Y183 HydrophobicContact CD2-CD1 4.4Å; L148-Y183 HydrophobicContact CD2-CD2 3.95Å; L148-Y183 HydrophobicContact CD2-CE1 4.4Å; L148-Y183 HydrophobicContact CD2-CE2 3.93Å; L148-Y183 HydrophobicContact CD2-CG 4.18Å; I178-Y183 HydrophobicContact CB-CD2 4.12Å; I178-Y183 PolarHBondContact O-N 3.11Å; K179-Y183 WeakPolarHBondContact CA-O 3.36Å; V181-Y183 HydrophobicContact CB-CD2 4.36Å; V181-Y183 HydrophobicContact CG1-CD2 4Å; V181-Y183 HydrophobicContact CG1-CE2 3.93Å; Y183-P185 WeakPolarHBondContact O-CD 3.42Å
184N93.8Very high94.4Very high89 Ų8933.7 Ų33.748%0.47619%0.191SC..  trans-89111.8166.6-179.25.4000109.1A186 T187N184-A186 PolarHBondContact O-N 3.35Å; N184-A186 VanDerWaalsContact O-N 3.1Å; N184-A186 PolarHBondContact OD1-N 3.1Å; N184-T187 HydrophobicContact CB-CG2 4.07Å; N184-T187 PolarHBondContact O-N 2.89Å; N184-T187 PolarHBondContact O-OG1 3.32Å
185P95.6Very high94.3Very high27 Ų2733.5 Ų33.518%0.17519%0.189CC..G310 helixtrans-57.1-28.2-179.2-24.334.2000113.9S175 I178 K179 Y183 T187 V188S175-P185 WeakPolarHBondContact O-CG 3.41Å; I178-P185 HydrophobicContact CD1-CB 4.25Å; I178-P185 HydrophobicContact CD1-CG 4.33Å; I178-P185 HydrophobicContact CG1-CG 4.07Å; K179-P185 HydrophobicContact CB-CG 3.89Å; Y183-P185 WeakPolarHBondContact O-CD 3.42Å; P185-T187 PolarHBondContact O-N 3.24Å; P185-V188 PolarHBondContact O-N 3.01Å; P185-V188 VanDerWaalsContact O-N 3.17Å
186A95.4Very high94.1Very high50 Ų5036.7 Ų36.741%0.41320%0.197SC..G310 helixtrans-66.5-17.2177.200000113.5N184 I216 T217N184-A186 PolarHBondContact O-N 3.35Å; N184-A186 VanDerWaalsContact O-N 3.1Å; N184-A186 PolarHBondContact OD1-N 3.1Å; A186-I216 CarbonylContact O-C 3.42Å; A186-I216 VanDerWaalsContact O-CA 3.3Å; A186-I216 WeakPolarHBondContact O-CA 3.38Å; A186-T217 PolarHBondContact O-N 3.3Å
187T94.9Very high94Very high42 Ų4240.5 Ų40.526%0.25821%0.206SC..G310 helixtrans-96.81.7178.262.10000113.1N184 P185 T217 R218N184-T187 HydrophobicContact CB-CG2 4.07Å; N184-T187 PolarHBondContact O-N 2.89Å; N184-T187 PolarHBondContact O-OG1 3.32Å; P185-T187 PolarHBondContact O-N 3.24Å; T187-T217 VanDerWaalsContact CG2-O 3.31Å; T187-T217 WeakPolarHBondContact CG2-O 3.28Å; T187-R218 HydrophobicContact CG2-CB 4.12Å
188V97Very high94.2Very high3 Ų339.1 Ų39.12%0.01821%0.206CC..SBendtrans-115.7115.1-168.8171.90000109.2L148 I150 I178 P185 F190L148-V188 HydrophobicContact CB-CG1 4.41Å; L148-V188 HydrophobicContact CB-CG2 4.06Å; L148-V188 HydrophobicContact CD2-CG1 4.46Å; L148-V188 HydrophobicContact CG-CG1 4.37Å; L148-V188 WeakPolarHBondContact O-CG1 3.4Å; I150-V188 HydrophobicContact CD1-CG1 4.33Å; I150-V188 HydrophobicContact CG1-CG1 3.59Å; I178-V188 HydrophobicContact CD1-CB 4.21Å; I178-V188 HydrophobicContact CD1-CG1 4.02Å; I178-V188 HydrophobicContact CD1-CG2 4.16Å; P185-V188 PolarHBondContact O-N 3.01Å; P185-V188 VanDerWaalsContact O-N 3.17Å; V188-F190 HydrophobicContact CB-CE2 4.32Å; V188-F190 HydrophobicContact CG1-CD2 4.45Å; V188-F190 HydrophobicContact CG1-CE2 3.98Å; V188-F190 HydrophobicContact CG1-CZ 4.34Å; V188-F190 VanDerWaalsContact O-CD2 3.26Å; V188-F190 WeakPolarHBondContact O-CD2 3.34Å
189P97.7Very high94.4Very high0 Ų039.8 Ų39.80%021%0.209CC..  trans-74.9135.8177.229.4-30000110.1L148 I149 I150 V191 W214 I216 A235 M239L148-P189 WeakPolarHBondContact O-CD 3.41Å; I149-P189 HydrophobicContact CB-CG 4.27Å; I149-P189 HydrophobicContact CG1-CG 3.82Å; I149-P189 HydrophobicContact CG2-CG 4.16Å; I150-P189 PolarHBondContact N-O 3.46Å; P189-V191 HydrophobicContact CB-CG2 4.46Å; P189-W214 HydrophobicContact CB-CB 4.05Å; P189-W214 HydrophobicContact CB-CD2 3.71Å; P189-W214 HydrophobicContact CB-CE3 3.73Å; P189-W214 HydrophobicContact CB-CG 3.86Å; P189-W214 HydrophobicContact CB-CZ3 4.48Å; P189-I216 HydrophobicContact CB-CG2 3.82Å; P189-I216 HydrophobicContact CG-CG2 4.22Å; P189-I216 VanDerWaalsContact N-CG2 3.33Å; P189-A235 HydrophobicContact CB-CB 4.2Å; P189-A235 HydrophobicContact CG-CB 3.94Å; P189-M239 HydrophobicContact CG-CE 3.8Å
190F98.3Very high94.6Very high15 Ų1532.8 Ų32.87%0.06618%0.179CC..EExtended strand (participates in β ladder)trans-107.8102.2174.2-72.6-98.8000109.4I150 I152 Y167 V171 V174 S175 I178 V188I150-F190 HydrophobicContact CB-CD1 3.59Å; I150-F190 HydrophobicContact CB-CE1 3.82Å; I150-F190 HydrophobicContact CB-CG 4.15Å; I150-F190 HydrophobicContact CG1-CD1 3.89Å; I150-F190 HydrophobicContact CG1-CE1 3.59Å; I150-F190 HydrophobicContact CG1-CE2 4.5Å; I150-F190 HydrophobicContact CG1-CG 4.49Å; I150-F190 HydrophobicContact CG1-CZ 3.92Å; I150-F190 HydrophobicContact CG2-CD1 3.66Å; I150-F190 HydrophobicContact CG2-CE1 3.88Å; I150-F190 CarbonylContact O-C 3.08Å; I150-F190 WeakPolarHBondContact O-CA 3.41Å; I152-F190 HydrophobicContact CD1-CD1 4.2Å; Y167-F190 HydrophobicContact CE2-CB 4.47Å; Y167-F190 PolarHBondContact OH-O 3.39Å; V171-F190 HydrophobicContact CB-CD1 4.22Å; V171-F190 HydrophobicContact CG1-CD1 4.11Å; V171-F190 HydrophobicContact CG1-CD2 4.27Å; V171-F190 HydrophobicContact CG1-CE1 4.29Å; V171-F190 HydrophobicContact CG1-CE2 4.47Å; V171-F190 HydrophobicContact CG1-CG 4.08Å; V171-F190 HydrophobicContact CG1-CZ 4.48Å; V171-F190 HydrophobicContact CG2-CB 3.87Å; V171-F190 HydrophobicContact CG2-CD1 3.75Å; V171-F190 HydrophobicContact CG2-CG 3.94Å; V174-F190 HydrophobicContact CB-CE1 3.98Å; V174-F190 HydrophobicContact CG1-CE1 3.8Å; V174-F190 HydrophobicContact CG1-CZ 4.32Å; S175-F190 WeakPolarHBondContact OG-CZ 2.96Å; I178-F190 HydrophobicContact CD1-CE2 4.49Å; I178-F190 HydrophobicContact CD1-CZ 3.95Å; V188-F190 HydrophobicContact CB-CE2 4.32Å; V188-F190 HydrophobicContact CG1-CD2 4.45Å; V188-F190 HydrophobicContact CG1-CE2 3.98Å; V188-F190 HydrophobicContact CG1-CZ 4.34Å; V188-F190 VanDerWaalsContact O-CD2 3.26Å; V188-F190 WeakPolarHBondContact O-CD2 3.34Å
191V98.4Very high95Very high0 Ų025.4 Ų25.40%015%0.147CC..EExtended strand (participates in β ladder)trans-103.9114.6-174.7-163.70000109.5I149 I150 A151 I152 P189 I193 N200 W214 L232 A235I149-V191 HydrophobicContact CG2-CG2 4.44Å; I150-V191 PolarHBondContact O-N 3.28Å; A151-V191 CarbonylContact C-O 3.54Å; A151-V191 WeakPolarHBondContact CA-O 3.45Å; I152-V191 PolarHBondContact N-O 2.79Å; P189-V191 HydrophobicContact CB-CG2 4.46Å; V191-I193 HydrophobicContact CB-CG2 4.21Å; V191-I193 HydrophobicContact CG1-CG2 3.69Å; V191-N200 HydrophobicContact CG1-CB 4.43Å; V191-W214 HydrophobicContact CG2-CG 4.26Å; V191-L232 HydrophobicContact CG1-CB 4.38Å; V191-A235 HydrophobicContact CG2-CB 3.9Å
192P98.5Very high95.3Very high0 Ų026.9 Ų26.90%015%0.154CC..EExtended strand (participates in β ladder)trans-75.4123.1170.429.4-27.9000109.3I152 M155 Y167 N200 M208 W210 F211I152-P192 WeakPolarHBondContact O-CA 3.39Å; M155-P192 HydrophobicContact CE-CB 4.38Å; M155-P192 HydrophobicContact CG-CB 3.84Å; M155-P192 HydrophobicContact SD-CB 4.13Å; Y167-P192 HydrophobicContact CD2-CB 3.65Å; Y167-P192 HydrophobicContact CD2-CG 4.07Å; Y167-P192 HydrophobicContact CE2-CB 3.78Å; Y167-P192 HydrophobicContact CE2-CG 3.79Å; P192-N200 WeakPolarHBondContact O-CB 3.26Å; P192-N200 PolarHBondContact O-ND2 2.79Å; P192-M208 HydrophobicContact CB-SD 3.7Å; P192-M208 HydrophobicContact CG-SD 4Å; P192-W210 HydrophobicContact CB-CH2 4.2Å; P192-W210 HydrophobicContact CG-CH2 4.16Å; P192-F211 VanDerWaalsContact CD-CE2 3.45Å; P192-F211 HydrophobicContact CG-CB 4.3Å; P192-F211 HydrophobicContact CG-CD1 3.82Å; P192-F211 HydrophobicContact CG-CD2 3.59Å; P192-F211 HydrophobicContact CG-CE1 3.98Å; P192-F211 HydrophobicContact CG-CE2 3.78Å; P192-F211 HydrophobicContact CG-CG 3.62Å; P192-F211 HydrophobicContact CG-CZ 3.96Å
193I98.4Very high95.7Very high0 Ų032.8 Ų32.80%017%0.172CC..  trans-134.5161.9-175.166.6169.1000112T23 A151 I152 N153 K154 M155 V191 D199 N200 M201 L232T23-I193 HydrophobicContact CG2-CD1 3.62Å; A151-I193 HydrophobicContact CB-CD1 3.56Å; A151-I193 HydrophobicContact CB-CG1 4.18Å; I152-I193 PolarHBondContact O-N 2.75Å; N153-I193 CarbonylContact C-O 3.54Å; N153-I193 WeakPolarHBondContact CA-O 3.49Å; N153-I193 HydrophobicContact CB-CD1 4.29Å; N153-I193 HydrophobicContact CB-CG1 4.08Å; K154-I193 PolarHBondContact N-O 2.86Å; M155-I193 WeakPolarHBondContact CG-O 3.28Å; M155-I193 PolarHBondContact N-O 2.83Å; V191-I193 HydrophobicContact CB-CG2 4.21Å; V191-I193 HydrophobicContact CG1-CG2 3.69Å; I193-D199 VanDerWaalsContact CA-O 3.29Å; I193-D199 WeakPolarHBondContact CA-O 3.25Å; I193-D199 WeakPolarHBondContact CB-O 3.39Å; I193-N200 HydrophobicContact CG2-CB 4.18Å; I193-M201 HydrophobicContact CB-SD 4.13Å; I193-M201 HydrophobicContact CD1-SD 3.75Å; I193-M201 HydrophobicContact CG1-SD 4.48Å; I193-M201 HydrophobicContact CG2-SD 4.32Å; I193-L232 HydrophobicContact CD1-CD2 4.24Å; I193-L232 HydrophobicContact CG2-CB 4.27Å
194S97.3Very high95.8Very high1 Ų137.7 Ų37.71%0.00719%0.194CC..  trans-120.1106.4155.6-1780000108.8D156 W196 H197 G198 D199D156-S194 WeakPolarHBondContact OD1-CB 3.26Å; D156-S194 PolarHBondContact OD1-OG 2.78Å; S194-W196 PolarHBondContact O-N 3.01Å; S194-H197 PolarHBondContact OG-CD2 2.94Å; S194-H197 PolarHBondContact OG-N 2.75Å; S194-G198 VanDerWaalsContact O-CA 3.32Å; S194-G198 WeakPolarHBondContact O-CA 3.47Å; S194-G198 PolarHBondContact O-N 2.78Å; S194-D199 WeakPolarHBondContact CB-OD2 2.97Å; S194-D199 PolarHBondContact N-O 2.89Å; S194-D199 PolarHBondContact O-N 2.79Å
195G94.2Very high96Very high0 Ų034 Ų340%017%0.174CC..THydrogen-bonded Turntrans-63.1-22.4176.200000112.7H26 N153H26-G195 WeakPolarHBondContact CB-O 3.34Å; H26-G195 PolarHBondContact ND1-O 3.18Å; N153-G195 PolarHBondContact OD1-N 3.1Å
196W92Very high96Very high91 Ų9138.9 Ų38.935%0.34520%0.204SC..THydrogen-bonded Turntrans-83.3-51.6176.9-175.7-112.9000112.1T22 H26 S53 K55 Y56 S194T22-W196 HydrophobicContact CG2-CE3 3.9Å; H26-W196 PolarHBondContact CE1-O 3.07Å; S53-W196 WeakPolarHBondContact O-CH2 3.33Å; S53-W196 WeakPolarHBondContact O-CZ3 3.34Å; K55-W196 HydrophobicContact CD-CH2 4.39Å; K55-W196 HydrophobicContact CG-CH2 4.04Å; K55-W196 HydrophobicContact CG-CZ3 4.02Å; Y56-W196 HydrophobicContact CD2-CE3 4.19Å; Y56-W196 HydrophobicContact CD2-CZ3 4.27Å; Y56-W196 HydrophobicContact CE2-CE3 4.49Å; S194-W196 PolarHBondContact O-N 3.01Å
197H93.1Very high96.1Very high117 Ų11740.1 Ų40.154%0.54220%0.204SC..THydrogen-bonded Turntrans-84.9-17.9-175.7-67.1-68.9000114D156 S194 D199D156-H197 IonicContact OD2-CD2 2.67Å; D156-H197 IonicContact OD2-NE2 3.5Å; S194-H197 PolarHBondContact OG-CD2 2.94Å; S194-H197 PolarHBondContact OG-N 2.75Å; H197-D199 WeakPolarHBondContact CB-OD2 3.37Å
198G93.8Very high96.2Very high18 Ų1838.2 Ų38.219%0.18619%0.192CC..  trans92.73.7178.100000114.6H26 S194 N200 M201H26-G198 WeakPolarHBondContact CE1-CA 3.04Å; H26-G198 PolarHBondContact CE1-N 2.85Å; S194-G198 VanDerWaalsContact O-CA 3.32Å; S194-G198 WeakPolarHBondContact O-CA 3.47Å; S194-G198 PolarHBondContact O-N 2.78Å; G198-N200 PolarHBondContact O-N 2.85Å; G198-M201 WeakPolarHBondContact O-CB 3.5Å; G198-M201 PolarHBondContact O-N 2.88Å
199D97.3Very high96.2Very high14 Ų1442.2 Ų42.28%0.07522%0.218CC..THydrogen-bonded Turntrans-56.4127.7179.9-66.3-89.2000112.2F162 I193 S194 H197 M201 S205 N207 M208F162-D199 HydrophobicContact CE1-CB 4.32Å; I193-D199 VanDerWaalsContact CA-O 3.29Å; I193-D199 WeakPolarHBondContact CA-O 3.25Å; I193-D199 WeakPolarHBondContact CB-O 3.39Å; S194-D199 WeakPolarHBondContact CB-OD2 2.97Å; S194-D199 PolarHBondContact N-O 2.89Å; S194-D199 PolarHBondContact O-N 2.79Å; H197-D199 WeakPolarHBondContact CB-OD2 3.37Å; D199-M201 PolarHBondContact O-N 3Å; D199-S205 WeakPolarHBondContact OD1-CB 3.42Å; D199-S205 PolarHBondContact OD1-OG 2.81Å; D199-N207 PolarHBondContact OD1-ND2 2.8Å; D199-M208 HydrophobicContact CB-CE 3.75Å
200N97.3Very high96.2Very high2 Ų244.4 Ų44.41%0.01123%0.226CC..THydrogen-bonded Turntrans53.817.4-179-70.6-18.8000114.5V191 P192 I193 G198 E203 S205 M208 T231 L232V191-N200 HydrophobicContact CG1-CB 4.43Å; P192-N200 WeakPolarHBondContact O-CB 3.26Å; P192-N200 PolarHBondContact O-ND2 2.79Å; I193-N200 HydrophobicContact CG2-CB 4.18Å; G198-N200 PolarHBondContact O-N 2.85Å; N200-E203 VanDerWaalsContact CA-O 3.25Å; N200-E203 WeakPolarHBondContact CA-O 3.44Å; N200-E203 PolarHBondContact N-O 3.42Å; N200-S205 WeakPolarHBondContact OD1-CB 3.42Å; N200-S205 PolarHBondContact OD1-N 2.95Å; N200-M208 HydrophobicContact CB-CE 4.38Å; N200-M208 WeakPolarHBondContact ND2-CE 3.31Å; N200-T231 CarbonylContact O-C 3.58Å; N200-T231 WeakPolarHBondContact O-CA 3.39Å; N200-T231 WeakPolarHBondContact O-CB 3.28Å; N200-L232 PolarHBondContact O-N 2.97Å
201M95.4Very high96.1Very high3 Ų344.1 Ų44.12%0.01523%0.225CC..THydrogen-bonded Turntrans-72.2-54.8176.3-70.5-65.7-68.200110.6T23 L27 I193 G198 D199 L232 L233T23-M201 HydrophobicContact CG2-CE 3.61Å; T23-M201 HydrophobicContact CG2-SD 3.94Å; T23-M201 VanDerWaalsContact O-CE 3.26Å; T23-M201 WeakPolarHBondContact O-CE 3.38Å; L27-M201 HydrophobicContact CB-CE 3.86Å; L27-M201 HydrophobicContact CD1-CE 4.34Å; I193-M201 HydrophobicContact CB-SD 4.13Å; I193-M201 HydrophobicContact CD1-SD 3.75Å; I193-M201 HydrophobicContact CG1-SD 4.48Å; I193-M201 HydrophobicContact CG2-SD 4.32Å; G198-M201 WeakPolarHBondContact O-CB 3.5Å; G198-M201 PolarHBondContact O-N 2.88Å; D199-M201 PolarHBondContact O-N 3Å; M201-L232 HydrophobicContact CE-CD2 3.91Å; M201-L232 PolarHBondContact O-N 2.89Å; M201-L232 HydrophobicContact SD-CD2 3.84Å; M201-L233 PolarHBondContact O-N 2.85Å
202I93.9Very high96Very high50 Ų5051.8 Ų51.826%0.25626%0.258SS..SBendtrans-130.9-30.4-177.8-67.7160.6000111.5L27 K30 T231 L233L27-I202 HydrophobicContact CD1-CD1 4.29Å; L27-I202 HydrophobicContact CD1-CG1 4.1Å; K30-I202 HydrophobicContact CB-CD1 3.04Å; K30-I202 HydrophobicContact CB-CG1 4.49Å; K30-I202 HydrophobicContact CG-CD1 4.02Å; I202-T231 WeakPolarHBondContact O-CG2 3.31Å; I202-L233 HydrophobicContact CB-CD2 4.47Å; I202-L233 HydrophobicContact CG1-CB 4.1Å; I202-L233 HydrophobicContact CG1-CD2 4.11Å; I202-L233 HydrophobicContact CG2-CD2 3.94Å
203E94.5Very high96Very high157 Ų15752.9 Ų52.973%0.73427%0.27SS*.SBendtrans-119.4151176.1-66.6173.5-16600109.4N200 S205N200-E203 VanDerWaalsContact CA-O 3.25Å; N200-E203 WeakPolarHBondContact CA-O 3.44Å; N200-E203 PolarHBondContact N-O 3.42Å; E203-S205 PolarHBondContact O-N 3.4Å
204K96.1Very high95.9Very high113 Ų11353.2 Ų53.249%0.49127%0.271SS..  trans-63.5128.5177-177.2178.1179174.20110.2F230K204-F230 HydrophobicContact CD-CD1 3.86Å; K204-F230 HydrophobicContact CD-CE1 4.19Å; K204-F230 HydrophobicContact CD-CG 4.23Å; K204-F230 HydrophobicContact CG-CB 4.5Å; K204-F230 HydrophobicContact CG-CD1 4.3Å
205S96.4Very high95.9Very high10 Ų1059.2 Ų59.27%0.0730%0.299CS..  trans-69.4138.3176.2174.40000111.9D199 N200 E203 N207D199-S205 WeakPolarHBondContact OD1-CB 3.42Å; D199-S205 PolarHBondContact OD1-OG 2.81Å; N200-S205 WeakPolarHBondContact OD1-CB 3.42Å; N200-S205 PolarHBondContact OD1-N 2.95Å; E203-S205 PolarHBondContact O-N 3.4Å; S205-N207 VanDerWaalsContact C-N 3.32Å; S205-N207 WeakPolarHBondContact OG-CB 3.3Å; S205-N207 PolarHBondContact OG-N 2.88Å
206T96.8Very high95.9Very high130 Ų13059.3 Ų59.380%0.79830%0.3SS*.SBendtrans-78.6-16.1167.452.90000112.8
207N97Very high96Very high77 Ų7757.1 Ų57.141%0.41230%0.296SS..SBendtrans-81.7-14.9-177.7-60.7-42.2000113.3F162 D199 S205 P209F162-N207 HydrophobicContact CD1-CB 3.88Å; F162-N207 HydrophobicContact CD2-CB 3.71Å; F162-N207 HydrophobicContact CE1-CB 3.83Å; F162-N207 HydrophobicContact CE2-CB 3.67Å; F162-N207 HydrophobicContact CG-CB 3.81Å; F162-N207 HydrophobicContact CZ-CB 3.72Å; D199-N207 PolarHBondContact OD1-ND2 2.8Å; S205-N207 VanDerWaalsContact C-N 3.32Å; S205-N207 WeakPolarHBondContact OG-CB 3.3Å; S205-N207 PolarHBondContact OG-N 2.88Å; N207-P209 WeakPolarHBondContact O-CD 3.38Å
208M97.1Very high95.9Very high2 Ų253.1 Ų53.11%0.0128%0.276CS..  trans-121.560.4-179.4-67.6176.4-79.900112.5M155 F162 P192 D199 N200 W210 F211M155-M208 HydrophobicContact CB-SD 4.18Å; M155-M208 HydrophobicContact CE-SD 4.44Å; M155-M208 HydrophobicContact CG-SD 4.19Å; F162-M208 HydrophobicContact CB-CG 3.85Å; F162-M208 HydrophobicContact CD1-CE 4.12Å; F162-M208 HydrophobicContact CD1-CG 3.69Å; F162-M208 HydrophobicContact CD1-SD 3.97Å; F162-M208 HydrophobicContact CE1-CE 4.37Å; F162-M208 HydrophobicContact CG-CG 4.15Å; P192-M208 HydrophobicContact CB-SD 3.7Å; P192-M208 HydrophobicContact CG-SD 4Å; D199-M208 HydrophobicContact CB-CE 3.75Å; N200-M208 HydrophobicContact CB-CE 4.38Å; N200-M208 WeakPolarHBondContact ND2-CE 3.31Å; M208-W210 HydrophobicContact CB-CZ2 4.07Å; M208-W210 HydrophobicContact CG-CH2 4.48Å; M208-W210 HydrophobicContact CG-CZ2 3.69Å; M208-W210 PolarHBondContact O-N 2.9Å; M208-W210 VanDerWaalsContact O-N 3.16Å; M208-W210 HydrophobicContact SD-CH2 4.27Å; M208-W210 HydrophobicContact SD-CZ2 3.94Å; M208-F211 HydrophobicContact CB-CB 4.15Å; M208-F211 PolarHBondContact O-N 3.22Å
209P96.4Very high95.5Very high87 Ų8757.4 Ų57.457%0.56530%0.299SS*.THydrogen-bonded Turntrans-64.4-20.3-178.827.9-35.8000113.7N207 F211 K212N207-P209 WeakPolarHBondContact O-CD 3.38Å; P209-F211 VanDerWaalsContact C-N 3.34Å; P209-K212 PolarHBondContact O-NZ 3.32Å
210W97.6Very high94.6Very high46 Ų4660.9 Ų60.917%0.17431%0.314CS..THydrogen-bonded Turntrans-70-28173.453.3-103.2000112.6M155 F162 E164 Y167 P192 M208 K212M155-W210 HydrophobicContact CE-CH2 3.99Å; M155-W210 HydrophobicContact CE-CZ2 3.84Å; F162-W210 WeakPolarHBondContact O-CZ2 3.36Å; F162-W210 PolarHBondContact O-NE1 2.8Å; E164-W210 HydrophobicContact CB-CB 4.38Å; E164-W210 HydrophobicContact CB-CD2 3.57Å; E164-W210 HydrophobicContact CB-CE3 3.83Å; E164-W210 HydrophobicContact CB-CG 3.82Å; E164-W210 HydrophobicContact CB-CZ2 4.37Å; E164-W210 HydrophobicContact CB-CZ3 4.36Å; E164-W210 HydrophobicContact CG-CB 4.35Å; E164-W210 HydrophobicContact CG-CD2 3.8Å; E164-W210 HydrophobicContact CG-CE3 3.56Å; E164-W210 HydrophobicContact CG-CG 4.15Å; E164-W210 HydrophobicContact CG-CZ3 4.13Å; E164-W210 WeakPolarHBondContact OE2-CB 3.09Å; Y167-W210 HydrophobicContact CD1-CH2 4.02Å; Y167-W210 AromaticContact CD1-CZ3 3.65Å; Y167-W210 HydrophobicContact CD1-CZ3 3.65Å; Y167-W210 HydrophobicContact CD2-CH2 4.32Å; Y167-W210 HydrophobicContact CE1-CZ3 4.2Å; Y167-W210 AromaticContact CG-CH2 3.75Å; Y167-W210 HydrophobicContact CG-CH2 3.75Å; Y167-W210 AromaticContact CG-CZ3 3.89Å; Y167-W210 HydrophobicContact CG-CZ3 3.89Å; P192-W210 HydrophobicContact CB-CH2 4.2Å; P192-W210 HydrophobicContact CG-CH2 4.16Å; M208-W210 HydrophobicContact CB-CZ2 4.07Å; M208-W210 HydrophobicContact CG-CH2 4.48Å; M208-W210 HydrophobicContact CG-CZ2 3.69Å; M208-W210 PolarHBondContact O-N 2.9Å; M208-W210 VanDerWaalsContact O-N 3.16Å; M208-W210 HydrophobicContact SD-CH2 4.27Å; M208-W210 HydrophobicContact SD-CZ2 3.94Å; W210-K212 PolarHBondContact O-N 2.85Å; W210-K212 VanDerWaalsContact O-N 3.17Å
211F97.7Very high93.8Very high8 Ų868 Ų684%0.03535%0.352CS..  trans-75109-178.7-174.8-117.8000110.8Y167 P192 M208 P209 G213 W214 F230Y167-F211 HydrophobicContact CE1-CD2 4.48Å; Y167-F211 AromaticContact CZ-CE2 3.97Å; Y167-F211 WeakPolarHBondContact OH-CE2 3.38Å; P192-F211 VanDerWaalsContact CD-CE2 3.45Å; P192-F211 HydrophobicContact CG-CB 4.3Å; P192-F211 HydrophobicContact CG-CD1 3.82Å; P192-F211 HydrophobicContact CG-CD2 3.59Å; P192-F211 HydrophobicContact CG-CE1 3.98Å; P192-F211 HydrophobicContact CG-CE2 3.78Å; P192-F211 HydrophobicContact CG-CG 3.62Å; P192-F211 HydrophobicContact CG-CZ 3.96Å; M208-F211 HydrophobicContact CB-CB 4.15Å; M208-F211 PolarHBondContact O-N 3.22Å; P209-F211 VanDerWaalsContact C-N 3.34Å; F211-G213 VanDerWaalsContact C-N 3.28Å; F211-G213 PolarHBondContact O-N 3.15Å; F211-W214 HydrophobicContact CZ-CB 4.19Å; F211-W214 VanDerWaalsContact CZ-N 3.33Å; F211-F230 WeakPolarHBondContact CE1-O 3.48Å
212K96.5Very high93.3Very high161 Ų16171.3 Ų71.370%0.739%0.387SS*.  trans-86.62.5-178.1-55.8-50.1-179.7-166.60114.1P209 W210 F230P209-K212 PolarHBondContact O-NZ 3.32Å; W210-K212 PolarHBondContact O-N 2.85Å; W210-K212 VanDerWaalsContact O-N 3.17Å; K212-F230 VanDerWaalsContact C-CE1 3.43Å; K212-F230 VanDerWaalsContact O-CE1 3.23Å; K212-F230 WeakPolarHBondContact O-CE1 3.45Å; K212-F230 WeakPolarHBondContact O-CZ 3.41Å
213G96.4Very high93Very high24 Ų2476.4 Ų76.425%0.24741%0.407CS..  trans109.6161.4-175.100000111.7F211 G229F211-G213 VanDerWaalsContact C-N 3.28Å; F211-G213 PolarHBondContact O-N 3.15Å; G213-G229 CarbonylContact C-O 3.57Å; G213-G229 WeakPolarHBondContact CA-O 3.31Å
214W97.4Very high92.8Very high7 Ų774 Ų743%0.02740%0.404CS..EExtended strand (participates in β ladder)trans-87151.1167.351.8-97.8000108.9P189 V191 F211 I216 D227 T228 G229 T231 E234 A235 K238P189-W214 HydrophobicContact CB-CB 4.05Å; P189-W214 HydrophobicContact CB-CD2 3.71Å; P189-W214 HydrophobicContact CB-CE3 3.73Å; P189-W214 HydrophobicContact CB-CG 3.86Å; P189-W214 HydrophobicContact CB-CZ3 4.48Å; V191-W214 HydrophobicContact CG2-CG 4.26Å; F211-W214 HydrophobicContact CZ-CB 4.19Å; F211-W214 VanDerWaalsContact CZ-N 3.33Å; W214-I216 HydrophobicContact CE3-CG2 4.4Å; W214-I216 HydrophobicContact CZ3-CD1 4.45Å; W214-I216 HydrophobicContact CZ3-CG1 4.23Å; W214-D227 HydrophobicContact CZ3-CB 4.37Å; W214-T228 VanDerWaalsContact O-CA 3.28Å; W214-T228 WeakPolarHBondContact O-CA 3.44Å; W214-G229 VanDerWaalsContact CD1-O 3.29Å; W214-G229 VanDerWaalsContact CE2-CA 3.49Å; W214-G229 VanDerWaalsContact CZ2-CA 3.43Å; W214-G229 PolarHBondContact N-O 2.85Å; W214-G229 VanDerWaalsContact NE1-C 3.35Å; W214-G229 PolarHBondContact NE1-O 3.35Å; W214-G229 PolarHBondContact O-N 3.48Å; W214-G229 VanDerWaalsContact O-N 3.11Å; W214-T231 PolarHBondContact NE1-O 2.86Å; W214-T231 VanDerWaalsContact NE1-O 3.07Å; W214-E234 HydrophobicContact CZ2-CB 3.8Å; W214-A235 HydrophobicContact CZ2-CB 3.83Å; W214-A235 VanDerWaalsContact CZ2-N 3.28Å; W214-K238 HydrophobicContact CH2-CB 4.1Å; W214-K238 HydrophobicContact CH2-CG 3.71Å; W214-K238 HydrophobicContact CZ3-CG 4.49Å
215E96.6Very high92.5Very high127 Ų12770.9 Ų70.959%0.59339%0.394SS*.EExtended strand (participates in β ladder)trans-131.6134.3175.2-177.6-178.8107.100108.2T226 D227 T228E215-T226 HydrophobicContact CG-CG2 3.44Å; E215-T226 VanDerWaalsContact CG-CG2 3.44Å; E215-D227 WeakPolarHBondContact CA-O 3.47Å; E215-T228 HydrophobicContact CB-CG2 4.17Å; E215-T228 HydrophobicContact CG-CG2 3.97Å
216I95.4Very high92.4Very high2 Ų273.8 Ų73.81%0.0141%0.411CS..EExtended strand (participates in β ladder)trans-125.3142171.362.4176.3000110.1A186 P189 W214 T226 D227 M239A186-I216 CarbonylContact O-C 3.42Å; A186-I216 VanDerWaalsContact O-CA 3.3Å; A186-I216 WeakPolarHBondContact O-CA 3.38Å; P189-I216 HydrophobicContact CB-CG2 3.82Å; P189-I216 HydrophobicContact CG-CG2 4.22Å; P189-I216 VanDerWaalsContact N-CG2 3.33Å; W214-I216 HydrophobicContact CE3-CG2 4.4Å; W214-I216 HydrophobicContact CZ3-CD1 4.45Å; W214-I216 HydrophobicContact CZ3-CG1 4.23Å; I216-T226 CarbonylContact O-C 3.58Å; I216-T226 VanDerWaalsContact O-CA 3.26Å; I216-T226 WeakPolarHBondContact O-CA 3.32Å; I216-D227 HydrophobicContact CD1-CB 4.28Å; I216-D227 HydrophobicContact CG1-CB 3.84Å; I216-D227 PolarHBondContact N-O 3.08Å; I216-D227 PolarHBondContact O-N 2.9Å; I216-M239 HydrophobicContact CD1-CE 4.33Å
217T93.4Very high92.3Very high45 Ų4568.6 Ų68.628%0.27638%0.379SS..EExtended strand (participates in β ladder)trans-123122.6176-64.30000109.4A186 T187 T224 V225 T226A186-T217 PolarHBondContact O-N 3.3Å; T187-T217 VanDerWaalsContact CG2-O 3.31Å; T187-T217 WeakPolarHBondContact CG2-O 3.28Å; T217-T224 HydrophobicContact CG2-CG2 3.45Å; T217-T224 VanDerWaalsContact CG2-CG2 3.45Å; T217-V225 WeakPolarHBondContact CA-O 3.4Å; T217-T226 PolarHBondContact OG1-OG1 3.17Å
218R90.1Very high92.2Very high32 Ų3269.3 Ų69.312%0.12139%0.386CS..EExtended strand (participates in β ladder)trans-136.6161.2-178.257-179.8165.2-169.3-7111.6T187 T224 V225 D227 K238 E240T187-R218 HydrophobicContact CG2-CB 4.12Å; R218-T224 WeakPolarHBondContact O-CA 3.4Å; R218-V225 PolarHBondContact N-O 3.33Å; R218-V225 PolarHBondContact O-N 3.49Å; R218-D227 IonicContact CZ-OD2 3.28Å; R218-D227 IonicContact NE-OD2 3.82Å; R218-D227 PolarHBondContact NE-OD2 3.42Å; R218-D227 IonicContact NH2-OD2 3.63Å; R218-D227 PolarHBondContact NH2-OD2 2.92Å; R218-K238 PolarHBondContact NH1-O 2.68Å; R218-K238 PolarHBondContact NH2-O 3.05Å; R218-E240 IonicContact CZ-OE1 3Å; R218-E240 IonicContact CZ-OE2 3.58Å; R218-E240 IonicContact NE-OE1 2.69Å; R218-E240 IonicContact NH1-OE1 3.04Å; R218-E240 IonicContact NH1-OE2 2.68Å; R218-E240 PolarHBondContact NH1-OE2 3.23Å; R218-E240 IonicContact NH2-OE1 3.85Å
219T85.6Confident92.2Very high109 Ų10969.4 Ų69.467%0.66939%0.388SS*.EExtended strand (participates in β ladder)trans-96.1117.1170.9-54.50000109K223T219-K223 CarbonylContact C-O 3.59Å; T219-K223 WeakPolarHBondContact CA-O 3.2Å
220K79.8Confident92.2Very high87 Ų8768.5 Ų68.538%0.37838%0.375SS..EExtended strand (participates in β ladder)trans-123.7126.2176.7-173.4-177.9-172.71630109G222 K223 V225 E240K220-G222 PolarHBondContact O-N 2.86Å; K220-G222 VanDerWaalsContact O-N 3.13Å; K220-K223 PolarHBondContact N-O 3.02Å; K220-K223 PolarHBondContact O-N 2.95Å; K220-K223 VanDerWaalsContact O-O 3.1Å; K220-V225 HydrophobicContact CB-CG2 3.95Å; K220-E240 WeakPolarHBondContact CD-OE1 3.19Å; K220-E240 WeakPolarHBondContact CE-OE1 3.49Å; K220-E240 IonicContact NZ-OE1 3.89Å; K220-E240 PolarHBondContact NZ-OE1 2.69Å
221D80.5Confident92.2Very high150 Ų15066.5 Ų66.580%0.80237%0.368SS*.THydrogen-bonded Turntrans50.638.7-178.8-53.5-40.5000113.5K223D221-K223 PolarHBondContact O-N 3.48Å
222G84Confident92.1Very high74 Ų7466.1 Ų66.176%0.76337%0.366SS*.THydrogen-bonded Turntrans75.70.9-177.400000115.4K220K220-G222 PolarHBondContact O-N 2.86Å; K220-G222 VanDerWaalsContact O-N 3.13Å
223K87.4Confident92.1Very high156 Ų15660.1 Ų60.168%0.67834%0.341SS*.EExtended strand (participates in β ladder)trans-109143.2178.8-62.9179.7-177.2175.80111.6T219 K220 D221 V225T219-K223 CarbonylContact C-O 3.59Å; T219-K223 WeakPolarHBondContact CA-O 3.2Å; K220-K223 PolarHBondContact N-O 3.02Å; K220-K223 PolarHBondContact O-N 2.95Å; K220-K223 VanDerWaalsContact O-O 3.1Å; D221-K223 PolarHBondContact O-N 3.48Å; K223-V225 PolarHBondContact O-N 3.29Å
224T89.7Confident92.1Very high107 Ų10762.8 Ų62.866%0.65635%0.347SS*.EExtended strand (participates in β ladder)trans-73.8122.6169.6-56.90000109.2T217 R218T217-T224 HydrophobicContact CG2-CG2 3.45Å; T217-T224 VanDerWaalsContact CG2-CG2 3.45Å; R218-T224 WeakPolarHBondContact O-CA 3.4Å
225V91.4Very high92Very high47 Ų4762.4 Ų62.429%0.28535%0.346SS..EExtended strand (participates in β ladder)trans-118.5131176.6179.60000108.2T217 R218 K220 K223T217-V225 WeakPolarHBondContact CA-O 3.4Å; R218-V225 PolarHBondContact N-O 3.33Å; R218-V225 PolarHBondContact O-N 3.49Å; K220-V225 HydrophobicContact CB-CG2 3.95Å; K223-V225 PolarHBondContact O-N 3.29Å
226T93.5Very high91.9Very high72 Ų7256.5 Ų56.544%0.44232%0.318SS..EExtended strand (participates in β ladder)trans-111.3121.7173.9-59.30000108.9E215 I216 T217E215-T226 HydrophobicContact CG-CG2 3.44Å; E215-T226 VanDerWaalsContact CG-CG2 3.44Å; I216-T226 CarbonylContact O-C 3.58Å; I216-T226 VanDerWaalsContact O-CA 3.26Å; I216-T226 WeakPolarHBondContact O-CA 3.32Å; T217-T226 PolarHBondContact OG1-OG1 3.17Å
227D94.3Very high91.8Very high20 Ų2057 Ų5711%0.10732%0.321CS..EExtended strand (participates in β ladder)trans-111139.4174.5-76.8-69.7000109.3W214 E215 I216 R218 K238W214-D227 HydrophobicContact CZ3-CB 4.37Å; E215-D227 WeakPolarHBondContact CA-O 3.47Å; I216-D227 HydrophobicContact CD1-CB 4.28Å; I216-D227 HydrophobicContact CG1-CB 3.84Å; I216-D227 PolarHBondContact N-O 3.08Å; I216-D227 PolarHBondContact O-N 2.9Å; R218-D227 IonicContact CZ-OD2 3.28Å; R218-D227 IonicContact NE-OD2 3.82Å; R218-D227 PolarHBondContact NE-OD2 3.42Å; R218-D227 IonicContact NH2-OD2 3.63Å; R218-D227 PolarHBondContact NH2-OD2 2.92Å; D227-K238 HydrophobicContact CB-CD 4.41Å; D227-K238 HydrophobicContact CB-CG 4.26Å; D227-K238 WeakPolarHBondContact OD1-CE 3.49Å; D227-K238 IonicContact OD1-NZ 2.71Å; D227-K238 PolarHBondContact OD1-NZ 3.27Å
228T95.8Very high91.8Very high93 Ų9358.5 Ų58.557%0.57132%0.324SS*.EExtended strand (participates in β ladder)trans-126.9151.7177.458.60000110.7W214 E215W214-T228 VanDerWaalsContact O-CA 3.28Å; W214-T228 WeakPolarHBondContact O-CA 3.44Å; E215-T228 HydrophobicContact CB-CG2 4.17Å; E215-T228 HydrophobicContact CG-CG2 3.97Å
229G95.8Very high91.8Very high4 Ų457.1 Ų57.14%0.04132%0.319CS..EExtended strand (participates in β ladder)trans-167.7179.8170.700000111.9G213 W214G213-G229 CarbonylContact C-O 3.57Å; G213-G229 WeakPolarHBondContact CA-O 3.31Å; W214-G229 VanDerWaalsContact CD1-O 3.29Å; W214-G229 VanDerWaalsContact CE2-CA 3.49Å; W214-G229 VanDerWaalsContact CZ2-CA 3.43Å; W214-G229 PolarHBondContact N-O 2.85Å; W214-G229 VanDerWaalsContact NE1-C 3.35Å; W214-G229 PolarHBondContact NE1-O 3.35Å; W214-G229 PolarHBondContact O-N 3.48Å; W214-G229 VanDerWaalsContact O-N 3.11Å
230F97.1Very high91.8Very high67 Ų6754.2 Ų54.229%0.29430%0.298SS..SBendtrans-114-32.8-178.4-68.6-87.8000112.5K204 F211 K212 E234K204-F230 HydrophobicContact CD-CD1 3.86Å; K204-F230 HydrophobicContact CD-CE1 4.19Å; K204-F230 HydrophobicContact CD-CG 4.23Å; K204-F230 HydrophobicContact CG-CB 4.5Å; K204-F230 HydrophobicContact CG-CD1 4.3Å; F211-F230 WeakPolarHBondContact CE1-O 3.48Å; K212-F230 VanDerWaalsContact C-CE1 3.43Å; K212-F230 VanDerWaalsContact O-CE1 3.23Å; K212-F230 WeakPolarHBondContact O-CE1 3.45Å; K212-F230 WeakPolarHBondContact O-CZ 3.41Å; F230-E234 WeakPolarHBondContact CA-OE2 3.47Å; F230-E234 PolarHBondContact N-OE2 3.02Å
231T97.5Very high91.8Very high4 Ų451 Ų513%0.02529%0.286CS..SBendtrans-109.1162.9-165.666.90000111.7N200 I202 W214 L233 E234 A235N200-T231 CarbonylContact O-C 3.58Å; N200-T231 WeakPolarHBondContact O-CA 3.39Å; N200-T231 WeakPolarHBondContact O-CB 3.28Å; I202-T231 WeakPolarHBondContact O-CG2 3.31Å; W214-T231 PolarHBondContact NE1-O 2.86Å; W214-T231 VanDerWaalsContact NE1-O 3.07Å; T231-L233 VanDerWaalsContact C-N 3.33Å; T231-E234 PolarHBondContact N-OE2 3.06Å; T231-E234 PolarHBondContact O-N 3.14Å; T231-E234 WeakPolarHBondContact OG1-CB 3.41Å; T231-E234 WeakPolarHBondContact OG1-CG 3.48Å; T231-E234 PolarHBondContact OG1-N 3.43Å; T231-E234 VanDerWaalsContact OG1-N 3.16Å; T231-E234 PolarHBondContact OG1-OE2 2.9Å; T231-A235 PolarHBondContact O-N 2.78Å; T231-A235 VanDerWaalsContact O-N 3.1Å
232L96.9Very high91.7Very high0 Ų046.5 Ų46.50%027%0.265CS..Hα-helixtrans-65.9-38.8173.6179.563.6000110.8T23 M113 I149 A151 V191 I193 N200 M201 E234 A235 L236T23-L232 HydrophobicContact CG2-CD2 4.01Å; M113-L232 HydrophobicContact SD-CD1 3.68Å; M113-L232 HydrophobicContact SD-CD2 3.69Å; M113-L232 HydrophobicContact SD-CG 4.11Å; I149-L232 HydrophobicContact CG2-CD1 3.84Å; A151-L232 HydrophobicContact CB-CD1 4.23Å; V191-L232 HydrophobicContact CG1-CB 4.38Å; I193-L232 HydrophobicContact CD1-CD2 4.24Å; I193-L232 HydrophobicContact CG2-CB 4.27Å; N200-L232 PolarHBondContact O-N 2.97Å; M201-L232 HydrophobicContact CE-CD2 3.91Å; M201-L232 PolarHBondContact O-N 2.89Å; M201-L232 HydrophobicContact SD-CD2 3.84Å; L232-E234 PolarHBondContact O-N 3.5Å; L232-A235 WeakPolarHBondContact O-CB 3.47Å; L232-A235 PolarHBondContact O-N 3.5Å; L232-L236 HydrophobicContact CG-CD1 4.09Å; L232-L236 VanDerWaalsContact O-CG 3.25Å; L232-L236 WeakPolarHBondContact O-CG 3.41Å; L232-L236 PolarHBondContact O-N 3.14Å
233L95.3Very high91.4Very high35 Ų3547.5 Ų47.518%0.18327%0.266CS..Hα-helixtrans-60.3-44.9176.1-172.269.3000111.8L27 F80 T82 M201 I202 T231 A235 L236 D237L27-L233 HydrophobicContact CD1-CD1 4.35Å; F80-L233 HydrophobicContact CE2-CD1 3.99Å; T82-L233 HydrophobicContact CG2-CD1 3.85Å; M201-L233 PolarHBondContact O-N 2.85Å; I202-L233 HydrophobicContact CB-CD2 4.47Å; I202-L233 HydrophobicContact CG1-CB 4.1Å; I202-L233 HydrophobicContact CG1-CD2 4.11Å; I202-L233 HydrophobicContact CG2-CD2 3.94Å; T231-L233 VanDerWaalsContact C-N 3.33Å; L233-A235 VanDerWaalsContact C-N 3.32Å; L233-A235 PolarHBondContact O-N 2.88Å; L233-L236 PolarHBondContact O-N 2.92Å; L233-D237 WeakPolarHBondContact O-CB 3.38Å; L233-D237 PolarHBondContact O-N 3.42Å
234E95.8Very high91.1Very high80 Ų8043 Ų4337%0.37425%0.245SC..Hα-helixtrans-63.1-38.9175-70.5164.3142.700111.4W214 F230 T231 L232 L236 D237 K238W214-E234 HydrophobicContact CZ2-CB 3.8Å; F230-E234 WeakPolarHBondContact CA-OE2 3.47Å; F230-E234 PolarHBondContact N-OE2 3.02Å; T231-E234 PolarHBondContact N-OE2 3.06Å; T231-E234 PolarHBondContact O-N 3.14Å; T231-E234 WeakPolarHBondContact OG1-CB 3.41Å; T231-E234 WeakPolarHBondContact OG1-CG 3.48Å; T231-E234 PolarHBondContact OG1-N 3.43Å; T231-E234 VanDerWaalsContact OG1-N 3.16Å; T231-E234 PolarHBondContact OG1-OE2 2.9Å; L232-E234 PolarHBondContact O-N 3.5Å; E234-L236 VanDerWaalsContact C-N 3.34Å; E234-L236 PolarHBondContact O-N 2.86Å; E234-D237 PolarHBondContact O-N 2.85Å; E234-K238 WeakPolarHBondContact O-CG 3.45Å; E234-K238 PolarHBondContact O-N 3.21Å
235A96.1Very high90.8Very high0 Ų040.1 Ų40.10%022%0.224CC..Hα-helixtrans-63.2-42.6177.600000111.4I149 P189 V191 W214 T231 L232 L233 K238 M239I149-A235 HydrophobicContact CD1-CB 4.17Å; I149-A235 HydrophobicContact CG2-CB 4.32Å; P189-A235 HydrophobicContact CB-CB 4.2Å; P189-A235 HydrophobicContact CG-CB 3.94Å; V191-A235 HydrophobicContact CG2-CB 3.9Å; W214-A235 HydrophobicContact CZ2-CB 3.83Å; W214-A235 VanDerWaalsContact CZ2-N 3.28Å; T231-A235 PolarHBondContact O-N 2.78Å; T231-A235 VanDerWaalsContact O-N 3.1Å; L232-A235 WeakPolarHBondContact O-CB 3.47Å; L232-A235 PolarHBondContact O-N 3.5Å; L233-A235 VanDerWaalsContact C-N 3.32Å; L233-A235 PolarHBondContact O-N 2.88Å; A235-K238 PolarHBondContact O-N 2.97Å; A235-M239 WeakPolarHBondContact O-CE 3.46Å; A235-M239 PolarHBondContact O-N 3.07Å
236L94.3Very high90.7Very high2 Ų240 Ų401%0.0122%0.224CC..Hα-helixtrans-63.7-42.4175.5-66162.9000111.3I10 L27 F80 I149 L232 L233 E234 K238 M239I10-L236 HydrophobicContact CD1-CB 4.37Å; I10-L236 HydrophobicContact CD1-CD2 3.39Å; I10-L236 HydrophobicContact CD1-CG 4.42Å; I10-L236 HydrophobicContact CG2-CD2 4.09Å; L27-L236 HydrophobicContact CD2-CD1 3.57Å; F80-L236 HydrophobicContact CZ-CD1 4.16Å; I149-L236 HydrophobicContact CD1-CB 4.46Å; I149-L236 HydrophobicContact CD1-CD2 3.54Å; I149-L236 HydrophobicContact CD1-CG 3.95Å; L232-L236 HydrophobicContact CG-CD1 4.09Å; L232-L236 VanDerWaalsContact O-CG 3.25Å; L232-L236 WeakPolarHBondContact O-CG 3.41Å; L232-L236 PolarHBondContact O-N 3.14Å; L233-L236 PolarHBondContact O-N 2.92Å; E234-L236 VanDerWaalsContact C-N 3.34Å; E234-L236 PolarHBondContact O-N 2.86Å; L236-K238 PolarHBondContact O-N 3.1Å; L236-M239 WeakPolarHBondContact O-CB 3.33Å; L236-M239 PolarHBondContact O-N 2.95Å
237D93Very high90.6Very high13 Ų1344.5 Ų44.57%0.0725%0.245CC..Hα-helixtrans-69.7-19179.6-164.571.1000113.5T82 Q83 N84 Y85 L233 E234T82-D237 WeakPolarHBondContact CB-OD1 3.36Å; T82-D237 HydrophobicContact CG2-CB 4.46Å; T82-D237 PolarHBondContact OG1-OD1 3.11Å; Q83-D237 PolarHBondContact N-OD1 3.35Å; N84-D237 WeakPolarHBondContact CB-OD1 3.42Å; N84-D237 PolarHBondContact N-OD1 3.48Å; N84-D237 PolarHBondContact ND2-OD2 2.86Å; Y85-D237 VanDerWaalsContact CE2-O 3.31Å; Y85-D237 WeakPolarHBondContact CE2-O 3.26Å; L233-D237 WeakPolarHBondContact O-CB 3.38Å; L233-D237 PolarHBondContact O-N 3.42Å; E234-D237 PolarHBondContact O-N 2.85Å
238K93.1Very high90.6Very high76 Ų7646.8 Ų46.833%0.3325%0.254SS..THydrogen-bonded Turntrans-89.1-6.6172.2-68.9-51.7-171.2147.60114.7W214 R218 D227 E234 A235 L236W214-K238 HydrophobicContact CH2-CB 4.1Å; W214-K238 HydrophobicContact CH2-CG 3.71Å; W214-K238 HydrophobicContact CZ3-CG 4.49Å; R218-K238 PolarHBondContact NH1-O 2.68Å; R218-K238 PolarHBondContact NH2-O 3.05Å; D227-K238 HydrophobicContact CB-CD 4.41Å; D227-K238 HydrophobicContact CB-CG 4.26Å; D227-K238 WeakPolarHBondContact OD1-CE 3.49Å; D227-K238 IonicContact OD1-NZ 2.71Å; D227-K238 PolarHBondContact OD1-NZ 3.27Å; E234-K238 WeakPolarHBondContact O-CG 3.45Å; E234-K238 PolarHBondContact O-N 3.21Å; A235-K238 PolarHBondContact O-N 2.97Å; L236-K238 PolarHBondContact O-N 3.1Å
239M91.5Very high90.6Very high4 Ų443.4 Ų43.42%0.0223%0.234CC..  trans-68.6150.7171.6-61.1-62.9116.900110.2I8 Y85 C111 Q147 I149 P189 I216 A235 L236I8-M239 HydrophobicContact CD1-CB 3.85Å; Y85-M239 WeakPolarHBondContact CE2-O 3.49Å; Y85-M239 PolarHBondContact OH-O 3.37Å; C111-M239 HydrophobicContact CB-CB 4.42Å; C111-M239 HydrophobicContact CB-CG 4.28Å; C111-M239 VanDerWaalsContact SG-SD 3.67Å; Q147-M239 HydrophobicContact CB-SD 3.96Å; I149-M239 HydrophobicContact CD1-CE 3.97Å; I149-M239 HydrophobicContact CD1-CG 3.71Å; I149-M239 HydrophobicContact CD1-SD 4.06Å; I149-M239 HydrophobicContact CG1-CE 3.69Å; I149-M239 HydrophobicContact CG1-CG 4.18Å; I149-M239 HydrophobicContact CG1-SD 3.83Å; P189-M239 HydrophobicContact CG-CE 3.8Å; I216-M239 HydrophobicContact CD1-CE 4.33Å; A235-M239 WeakPolarHBondContact O-CE 3.46Å; A235-M239 PolarHBondContact O-N 3.07Å; L236-M239 WeakPolarHBondContact O-CB 3.33Å; L236-M239 PolarHBondContact O-N 2.95Å
240E85.4Confident90.7Very high47 Ų4743.4 Ų43.422%0.2223%0.233CC..  trans-114.3124.9-177.1-74.2174.9166.600110.5Q147 R218 K220Q147-E240 PolarHBondContact NE2-O 3Å; Q147-E240 PolarHBondContact OE1-O 3.04Å; R218-E240 IonicContact CZ-OE1 3Å; R218-E240 IonicContact CZ-OE2 3.58Å; R218-E240 IonicContact NE-OE1 2.69Å; R218-E240 IonicContact NH1-OE1 3.04Å; R218-E240 IonicContact NH1-OE2 2.68Å; R218-E240 PolarHBondContact NH1-OE2 3.23Å; R218-E240 IonicContact NH2-OE1 3.85Å; K220-E240 WeakPolarHBondContact CD-OE1 3.19Å; K220-E240 WeakPolarHBondContact CE-OE1 3.49Å; K220-E240 IonicContact NZ-OE1 3.89Å; K220-E240 PolarHBondContact NZ-OE1 2.69Å
241P80.2Confident90.8Very high21 Ų2140.2 Ų40.214%0.13622%0.219CC..  trans-52.1139.3171.9-29.839.3000111.3E6 I8 Y85E6-P241 VanDerWaalsContact CD-CG 3.48Å; E6-P241 HydrophobicContact CG-CB 4.43Å; E6-P241 HydrophobicContact CG-CG 3.95Å; E6-P241 VanDerWaalsContact OE1-CB 3.31Å; E6-P241 WeakPolarHBondContact OE1-CB 3.3Å; I8-P241 HydrophobicContact CB-CG 4.32Å; I8-P241 HydrophobicContact CD1-CG 4.35Å; I8-P241 HydrophobicContact CG1-CG 4.4Å; Y85-P241 HydrophobicContact CD1-CG 4.24Å; Y85-P241 HydrophobicContact CE1-CG 3.71Å; Y85-P241 WeakPolarHBondContact OH-CD 3.4Å
242P77.9Confident90.8Very high54 Ų5440 Ų4035%0.35122%0.218SC..  trans-64.7153.1178.128.2-35.6000110.1D110 R244D110-P242 HydrophobicContact CB-CG 4.19Å; D110-P242 VanDerWaalsContact CG-CD 3.45Å; D110-P242 VanDerWaalsContact OD1-CD 3.27Å; D110-P242 WeakPolarHBondContact OD1-CD 3.36Å; D110-P242 WeakPolarHBondContact OD1-CG 3.34Å; P242-R244 PolarHBondContact O-N 3.3Å
243A77.6Confident90.8Very high96 Ų9640.3 Ų40.379%0.79322%0.219SC*.  trans-52.2113.8173.600000110.5M245A243-M245 PolarHBondContact O-N 2.76Å
244R80.4Confident90.8Very high61 Ų6138.6 Ų38.623%0.2321%0.211CC..  trans-71.2122.9-178.7-57.9-55.6-168.9-172.3-3.9108.8H7 D110 P242 T246 P308H7-R244 PolarHBondContact O-NH2 3.49Å; D110-R244 IonicContact OD1-CZ 3.34Å; D110-R244 IonicContact OD1-NH1 3.06Å; D110-R244 PolarHBondContact OD1-NH1 3.19Å; D110-R244 IonicContact OD1-NH2 2.77Å; D110-R244 IonicContact OD2-CZ 2.91Å; D110-R244 IonicContact OD2-NH1 2.77Å; D110-R244 IonicContact OD2-NH2 3.28Å; D110-R244 PolarHBondContact OD2-NH2 2.83Å; P242-R244 PolarHBondContact O-N 3.3Å; R244-T246 PolarHBondContact O-N 2.85Å; R244-P308 HydrophobicContact CB-CB 4.16Å; R244-P308 HydrophobicContact CB-CG 4.43Å; R244-P308 VanDerWaalsContact CD-O 3.24Å; R244-P308 WeakPolarHBondContact CD-O 3.5Å; R244-P308 PolarHBondContact NE-O 2.79Å
245M84.5Confident90.6Very high46 Ų4635.9 Ų35.923%0.22720%0.198CC..  trans-83.959.2-176.4-70179.3-77.500111.7A243 K248 T273 G274 P423 P424A243-M245 PolarHBondContact O-N 2.76Å; M245-K248 HydrophobicContact CB-CB 4.42Å; M245-K248 HydrophobicContact CB-CD 4.07Å; M245-K248 HydrophobicContact CB-CG 4.29Å; M245-K248 HydrophobicContact CG-CD 4.23Å; M245-K248 PolarHBondContact O-N 2.83Å; M245-K248 HydrophobicContact SD-CD 3.84Å; M245-K248 PolarHBondContact SD-NZ 3.13Å; M245-K248 VanDerWaalsContact SD-NZ 3.39Å; M245-T273 HydrophobicContact CB-CG2 3.87Å; M245-T273 HydrophobicContact CE-CG2 3.69Å; M245-T273 HydrophobicContact SD-CG2 3.92Å; M245-G274 PolarHBondContact O-N 2.84Å; M245-P423 HydrophobicContact SD-CG 4.35Å; M245-P424 HydrophobicContact CE-CG 3.85Å
246T89.6Confident90.3Very high45 Ų4539 Ų3928%0.27621%0.214SC..THydrogen-bonded Turntrans-68.2-34.9-172.2-53.80000112.8R244 K248 I275 L307R244-T246 PolarHBondContact O-N 2.85Å; T246-K248 VanDerWaalsContact C-N 3.29Å; T246-K248 PolarHBondContact O-N 3.43Å; T246-I275 HydrophobicContact CG2-CD1 3.52Å; T246-I275 HydrophobicContact CG2-CG1 3.64Å; T246-L307 HydrophobicContact CG2-CD2 4.28Å
247D91.4Very high90.3Very high166 Ų16640.2 Ų40.289%0.88822%0.222SC*.THydrogen-bonded Turntrans-79.3-9.9-178.2-56.9-46.8000113.9
248K93.6Very high90.3Very high68 Ų6845.2 Ų45.230%0.29624%0.241SC..SBendtrans-79.9156177.1-71.6-169.3-177.7178.20111M245 T246 T273 G274 Q421M245-K248 HydrophobicContact CB-CB 4.42Å; M245-K248 HydrophobicContact CB-CD 4.07Å; M245-K248 HydrophobicContact CB-CG 4.29Å; M245-K248 HydrophobicContact CG-CD 4.23Å; M245-K248 PolarHBondContact O-N 2.83Å; M245-K248 HydrophobicContact SD-CD 3.84Å; M245-K248 PolarHBondContact SD-NZ 3.13Å; M245-K248 VanDerWaalsContact SD-NZ 3.39Å; T246-K248 VanDerWaalsContact C-N 3.29Å; T246-K248 PolarHBondContact O-N 3.43Å; K248-T273 HydrophobicContact CB-CG2 4.21Å; K248-T273 HydrophobicContact CD-CG2 4.16Å; K248-G274 WeakPolarHBondContact O-CA 3.23Å; K248-G274 PolarHBondContact O-N 2.91Å; K248-Q421 WeakPolarHBondContact CD-O 3.3Å; K248-Q421 WeakPolarHBondContact CE-O 3.44Å; K248-Q421 PolarHBondContact NZ-O 2.89Å
249P96.7Very high90.3Very high23 Ų2349.6 Ų49.615%0.14926%0.26CS..PPolyproline II helixtrans-57.7153.9173.6-25.535.5000113.3R251 T273 N335 D336 Y422P249-R251 PolarHBondContact O-N 2.82Å; P249-T273 CarbonylContact O-C 3.58Å; P249-T273 WeakPolarHBondContact O-CB 3.42Å; P249-T273 PolarHBondContact O-OG1 3.36Å; P249-N335 WeakPolarHBondContact CB-O 3.4Å; P249-D336 HydrophobicContact CB-CB 4.08Å; P249-D336 HydrophobicContact CG-CB 3.94Å; P249-Y422 HydrophobicContact CB-CE1 4.46Å; P249-Y422 VanDerWaalsContact CB-OH 3.31Å; P249-Y422 WeakPolarHBondContact CB-OH 3.42Å; P249-Y422 WeakPolarHBondContact CD-OH 2.97Å; P249-Y422 WeakPolarHBondContact CG-OH 3.33Å
250L97.9Very high90.3Very high4 Ų452.8 Ų52.82%0.02128%0.276CS..PPolyproline II helixtrans-63.8129.2-174.9-17965.3000112I252 V271 T273 I276 M280 V282 G331 D332L250-I252 HydrophobicContact CD1-CD1 4Å; L250-I252 HydrophobicContact CD1-CG1 3.78Å; L250-I252 HydrophobicContact CD2-CD1 4.44Å; L250-I252 HydrophobicContact CG-CD1 4.46Å; L250-I252 HydrophobicContact CG-CG1 4.2Å; L250-V271 HydrophobicContact CD1-CG1 3.98Å; L250-T273 VanDerWaalsContact CA-O 3.26Å; L250-T273 WeakPolarHBondContact CA-O 3.38Å; L250-T273 WeakPolarHBondContact CD1-O 3.41Å; L250-I276 HydrophobicContact CD1-CB 4.08Å; L250-I276 HydrophobicContact CD2-CB 3.99Å; L250-I276 HydrophobicContact CD2-CG1 4.27Å; L250-M280 HydrophobicContact CD2-CE 4.12Å; L250-V282 HydrophobicContact CD2-CG1 4.17Å; L250-G331 WeakPolarHBondContact O-CA 3.44Å; L250-D332 HydrophobicContact CB-CB 4.2Å
251R97.6Very high90.5Very high0 Ų054.1 Ų54.10%030%0.303CS..BIsolated β-bridgetrans-136.2122.1166.1-64.9-67.4-176.9-83.90.6110.4P249 E272 T273 V329 A330 D336 E417 Y422 L425P249-R251 PolarHBondContact O-N 2.82Å; R251-E272 PolarHBondContact O-N 3.42Å; R251-T273 VanDerWaalsContact CB-OG1 3.32Å; R251-T273 WeakPolarHBondContact CB-OG1 3.41Å; R251-T273 WeakPolarHBondContact CG-OG1 3.32Å; R251-T273 PolarHBondContact N-O 2.8Å; R251-T273 PolarHBondContact N-OG1 3.08Å; R251-V329 HydrophobicContact CB-CG1 4.46Å; R251-A330 CarbonylContact C-O 3.57Å; R251-A330 WeakPolarHBondContact CA-O 3.48Å; R251-D336 VanDerWaalsContact CZ-O 3.26Å; R251-D336 IonicContact CZ-OD2 3.91Å; R251-D336 PolarHBondContact NH1-O 3.4Å; R251-D336 PolarHBondContact NH2-O 3.47Å; R251-D336 IonicContact NH2-OD1 3.59Å; R251-D336 IonicContact NH2-OD2 3.94Å; R251-D336 PolarHBondContact NH2-OD2 3.39Å; R251-E417 IonicContact CZ-OE1 2.66Å; R251-E417 VanDerWaalsContact CZ-OE1 3.28Å; R251-E417 IonicContact NE-OE1 2.9Å; R251-E417 PolarHBondContact NE-OE1 3.21Å; R251-E417 IonicContact NH2-OE1 3.86Å; R251-E417 PolarHBondContact NH2-OE1 2.85Å; R251-Y422 HydrophobicContact CG-CD1 3.65Å; R251-Y422 HydrophobicContact CG-CE1 3.79Å; R251-Y422 HydrophobicContact CG-CG 4.32Å; R251-L425 HydrophobicContact CB-CD1 4.22Å; R251-L425 HydrophobicContact CB-CD2 4.11Å; R251-L425 HydrophobicContact CG-CD2 4.08Å
252I97.5Very high90.9Very high0 Ų057.6 Ų57.60%034%0.342CS..EExtended strand (participates in β ladder)trans-129.699.2173.9-48.6-177.4000108.5L250 L254 R270 V271 I276 F314 V329 A330L250-I252 HydrophobicContact CD1-CD1 4Å; L250-I252 HydrophobicContact CD1-CG1 3.78Å; L250-I252 HydrophobicContact CD2-CD1 4.44Å; L250-I252 HydrophobicContact CG-CD1 4.46Å; L250-I252 HydrophobicContact CG-CG1 4.2Å; I252-L254 PolarHBondContact O-N 3.39Å; I252-R270 WeakPolarHBondContact CG2-O 3.46Å; I252-V271 HydrophobicContact CD1-CG2 3.98Å; I252-V271 HydrophobicContact CG1-CG2 4.23Å; I252-I276 HydrophobicContact CD1-CB 4.06Å; I252-I276 HydrophobicContact CD1-CD1 3.64Å; I252-I276 HydrophobicContact CD1-CG1 4.44Å; I252-I276 HydrophobicContact CD1-CG2 4Å; I252-F314 HydrophobicContact CD1-CE1 4.16Å; I252-F314 HydrophobicContact CG2-CE1 4.22Å; I252-V329 WeakPolarHBondContact O-CA 3.25Å; I252-A330 HydrophobicContact CB-CB 4.27Å; I252-A330 PolarHBondContact N-O 2.85Å; I252-A330 PolarHBondContact O-N 2.74Å
253P96.8Very high91.5Very high5 Ų559 Ų593%0.03235%0.346CS..EExtended strand (participates in β ladder)trans-64125.9166.8-20.434.2000110.6Q255 E272 H368 T369 L425P253-Q255 PolarHBondContact O-N 2.78Å; P253-E272 HydrophobicContact CG-CG 3.98Å; P253-H368 HydrophobicContact CB-CB 3.98Å; P253-H368 HydrophobicContact CG-CB 3.94Å; P253-T369 HydrophobicContact CB-CG2 3.97Å; P253-L425 HydrophobicContact CG-CD1 3.8Å; P253-L425 HydrophobicContact CG-CG 4.27Å
254L95.9Very high92.2Very high0 Ų055.8 Ų55.80%032%0.323CS..EExtended strand (participates in β ladder)trans-76.7126.7-178.7-58.5-166.5000110.2I252 V257 P267 F284 F314 I324 R326 G327 N328 T369I252-L254 PolarHBondContact O-N 3.39Å; L254-V257 HydrophobicContact CD1-CG2 4.1Å; L254-P267 HydrophobicContact CD1-CB 3.95Å; L254-P267 HydrophobicContact CD2-CB 3.76Å; L254-P267 HydrophobicContact CG-CB 4.47Å; L254-F284 HydrophobicContact CD1-CD1 4Å; L254-F284 HydrophobicContact CD1-CE1 3.92Å; L254-F284 HydrophobicContact CD2-CE1 4.3Å; L254-F314 HydrophobicContact CD2-CE1 4.26Å; L254-F314 HydrophobicContact CD2-CZ 4.02Å; L254-I324 HydrophobicContact CD1-CB 4.29Å; L254-I324 HydrophobicContact CD1-CD1 4.36Å; L254-R326 WeakPolarHBondContact O-CA 3.49Å; L254-G327 PolarHBondContact O-N 2.88Å; L254-N328 HydrophobicContact CD1-CB 4.15Å; L254-N328 HydrophobicContact CG-CB 4.43Å; L254-N328 WeakPolarHBondContact CG-O 3.5Å; L254-N328 PolarHBondContact N-O 3.37Å; L254-T369 VanDerWaalsContact O-CB 3.23Å; L254-T369 WeakPolarHBondContact O-CB 3.41Å; L254-T369 PolarHBondContact O-OG1 2.83Å
255Q91.2Very high93Very high23 Ų2353.4 Ų53.411%0.10732%0.315CS..EExtended strand (participates in β ladder)trans-88.1-48.2174.7-63.9170.42100110.2Q108 P253 V268 R326 T369Q108-Q255 VanDerWaalsContact CD-CD 3.47Å; Q108-Q255 VanDerWaalsContact NE2-NE2 3.19Å; P253-Q255 PolarHBondContact O-N 2.78Å; Q255-V268 PolarHBondContact N-O 3.48Å; Q255-R326 WeakPolarHBondContact O-CB 3.29Å; Q255-R326 WeakPolarHBondContact O-CD 3.38Å; Q255-R326 WeakPolarHBondContact O-CG 3.26Å; Q255-T369 HydrophobicContact CG-CG2 3.8Å
256D91.1Very high93.5Very high65 Ų6551.9 Ų51.935%0.34831%0.308SS..EExtended strand (participates in β ladder)trans-147.5163.2-179.9-74.6-57000111Y258 V268D256-Y258 HydrophobicContact CB-CE2 3.73Å; D256-V268 PolarHBondContact N-O 3.21Å; D256-V268 PolarHBondContact O-N 2.99Å
257V93.7Very high93.9Very high28 Ų2849.8 Ų49.817%0.1730%0.295CS..EExtended strand (participates in β ladder)trans-135.4120.9175.3-171.50000109L254 T265 P267 V321 I324L254-V257 HydrophobicContact CD1-CG2 4.1Å; V257-T265 HydrophobicContact CG1-CG2 3.64Å; V257-P267 HydrophobicContact CG2-CB 4.47Å; V257-V321 HydrophobicContact CB-CG1 4.14Å; V257-V321 HydrophobicContact CG1-CG1 3.6Å; V257-I324 HydrophobicContact CG1-CD1 3.75Å; V257-I324 HydrophobicContact CG1-CG1 3.84Å; V257-I324 HydrophobicContact CG2-CD1 4.19Å; V257-I324 HydrophobicContact CG2-CG1 4.09Å
258Y93.3Very high94Very high117 Ų11743.4 Ų43.446%0.45926%0.262SS..EExtended strand (participates in β ladder)trans-108.4152-178.3-59.6-76.6000112.1D256 T265 V266 V268D256-Y258 HydrophobicContact CB-CE2 3.73Å; Y258-T265 WeakPolarHBondContact O-CA 3.38Å; Y258-V266 PolarHBondContact N-O 3.1Å; Y258-V266 PolarHBondContact O-N 2.94Å; Y258-V268 HydrophobicContact CD2-CG2 3.76Å; Y258-V268 HydrophobicContact CE2-CB 4.39Å; Y258-V268 HydrophobicContact CE2-CG2 3.74Å
259K92.9Very high94Very high168 Ų16840.2 Ų40.273%0.7325%0.248SC*.EExtended strand (participates in β ladder)trans-106.2109.5165-171.4178.3179.2-178.70108.6V321K259-V321 HydrophobicContact CB-CG2 3.71Å; K259-V321 HydrophobicContact CD-CG2 4.01Å; K259-V321 HydrophobicContact CG-CG2 4.11Å
260I90.5Very high93.8Very high72 Ų7239.8 Ų39.837%0.36924%0.244SC..EExtended strand (participates in β ladder)trans-102.1125.2179.6-52.5-175.6000108.6G262 I263 G264 V266I260-G262 PolarHBondContact O-N 2.92Å; I260-I263 HydrophobicContact CB-CB 4.09Å; I260-I263 HydrophobicContact CG2-CB 4.16Å; I260-I263 HydrophobicContact CG2-CD1 3.83Å; I260-I263 HydrophobicContact CG2-CG1 4.39Å; I260-I263 PolarHBondContact O-N 2.83Å; I260-G264 PolarHBondContact N-O 3.17Å; I260-G264 PolarHBondContact O-N 3.29Å; I260-V266 HydrophobicContact CD1-CB 4.09Å; I260-V266 HydrophobicContact CD1-CG1 4.49Å; I260-V266 HydrophobicContact CD1-CG2 3.76Å; I260-V266 HydrophobicContact CG1-CB 4.46Å; I260-V266 HydrophobicContact CG1-CG2 4.11Å
261G89.5Confident93.6Very high75 Ų7539.6 Ų39.677%0.77324%0.243SC*.THydrogen-bonded Turntrans-55.6132.8177.400000111.3I263G261-I263 PolarHBondContact O-N 3.45Å; G261-I263 VanDerWaalsContact O-N 3.1Å
262G89.7Confident93.3Very high94 Ų9440.3 Ų40.397%0.96925%0.246SC*.THydrogen-bonded Turntrans78.4-25.2-17800000115.9I260I260-G262 PolarHBondContact O-N 2.92Å
263I89.8Confident93.2Very high82 Ų8240.3 Ų40.342%0.42125%0.246SC..THydrogen-bonded Turntrans-98.1-42.1-179.2-70.4166.7000111.4I260 G261 V266 N315I260-I263 HydrophobicContact CB-CB 4.09Å; I260-I263 HydrophobicContact CG2-CB 4.16Å; I260-I263 HydrophobicContact CG2-CD1 3.83Å; I260-I263 HydrophobicContact CG2-CG1 4.39Å; I260-I263 PolarHBondContact O-N 2.83Å; G261-I263 PolarHBondContact O-N 3.45Å; G261-I263 VanDerWaalsContact O-N 3.1Å; I263-V266 HydrophobicContact CG2-CG2 3.76Å; I263-N315 HydrophobicContact CG2-CB 4.17Å; I263-N315 WeakPolarHBondContact CG2-ND2 3.46Å; I263-N315 PolarHBondContact O-ND2 2.84Å
264G93Very high93.1Very high30 Ų3040.1 Ų40.131%0.30925%0.245SC..EExtended strand (participates in β ladder)trans104.3-140.1-177.100000112.8I260I260-G264 PolarHBondContact N-O 3.17Å; I260-G264 PolarHBondContact O-N 3.29Å
265T96.5Very high93.2Very high11 Ų1142.2 Ų42.27%0.06726%0.256CS..EExtended strand (participates in β ladder)trans-88.1128.7-174.8-55.80000110.8V257 Y258 N315 V316 V319 I324V257-T265 HydrophobicContact CG1-CG2 3.64Å; Y258-T265 WeakPolarHBondContact O-CA 3.38Å; T265-N315 PolarHBondContact O-ND2 2.83Å; T265-V316 HydrophobicContact CG2-CG2 4.23Å; T265-V316 PolarHBondContact O-N 3.41Å; T265-V316 VanDerWaalsContact O-N 3.13Å; T265-V319 VanDerWaalsContact CB-O 3.31Å; T265-V319 WeakPolarHBondContact CB-O 3.43Å; T265-V319 PolarHBondContact OG1-O 3.21Å; T265-I324 HydrophobicContact CG2-CD1 4.03Å
266V96.4Very high93.5Very high14 Ų1441.1 Ų41.19%0.08525%0.251CS..EExtended strand (participates in β ladder)trans-129.192.9-178.8-176.80000109.1Y258 I260 I263 N315Y258-V266 PolarHBondContact N-O 3.1Å; Y258-V266 PolarHBondContact O-N 2.94Å; I260-V266 HydrophobicContact CD1-CB 4.09Å; I260-V266 HydrophobicContact CD1-CG1 4.49Å; I260-V266 HydrophobicContact CD1-CG2 3.76Å; I260-V266 HydrophobicContact CG1-CB 4.46Å; I260-V266 HydrophobicContact CG1-CG2 4.11Å; I263-V266 HydrophobicContact CG2-CG2 3.76Å; V266-N315 HydrophobicContact CG2-CB 4.45Å
267P96.4Very high93.7Very high0 Ų041.9 Ų41.90%025%0.251CS..EExtended strand (participates in β ladder)trans-60.5145.1161.424.4-36000111.4L254 V257 F284 G313 F314 V316 I324L254-P267 HydrophobicContact CD1-CB 3.95Å; L254-P267 HydrophobicContact CD2-CB 3.76Å; L254-P267 HydrophobicContact CG-CB 4.47Å; V257-P267 HydrophobicContact CG2-CB 4.47Å; P267-F284 HydrophobicContact CG-CE1 4.33Å; P267-F284 HydrophobicContact CG-CZ 4.13Å; P267-G313 WeakPolarHBondContact O-CA 3.35Å; P267-F314 HydrophobicContact CB-CE1 3.99Å; P267-F314 HydrophobicContact CB-CE2 4.23Å; P267-F314 HydrophobicContact CB-CZ 3.78Å; P267-F314 WeakPolarHBondContact CD-O 3.26Å; P267-F314 HydrophobicContact CG-CD1 4.2Å; P267-F314 HydrophobicContact CG-CD2 3.72Å; P267-F314 HydrophobicContact CG-CE1 3.86Å; P267-F314 HydrophobicContact CG-CE2 3.35Å; P267-F314 HydrophobicContact CG-CG 4.14Å; P267-F314 HydrophobicContact CG-CZ 3.43Å; P267-F314 VanDerWaalsContact CG-CZ 3.43Å; P267-F314 WeakPolarHBondContact CG-O 3.23Å; P267-F314 PolarHBondContact O-N 3.11Å; P267-V316 HydrophobicContact CG-CG1 4.39Å; P267-V316 HydrophobicContact CG-CG2 4.37Å; P267-I324 HydrophobicContact CB-CD1 4.13Å; P267-I324 HydrophobicContact CG-CD1 4.18Å
268V94.6Very high93.9Very high33 Ų3343 Ų4320%0.226%0.259CS..EExtended strand (participates in β ladder)trans-123.8136.6175.1179.30000109.6Q255 D256 Y258 V312Q255-V268 PolarHBondContact N-O 3.48Å; D256-V268 PolarHBondContact N-O 3.21Å; D256-V268 PolarHBondContact O-N 2.99Å; Y258-V268 HydrophobicContact CD2-CG2 3.76Å; Y258-V268 HydrophobicContact CE2-CB 4.39Å; Y258-V268 HydrophobicContact CE2-CG2 3.74Å; V268-V312 VanDerWaalsContact CA-O 3.3Å; V268-V312 WeakPolarHBondContact CA-O 3.29Å
269G93.3Very high94Very high0 Ų039.2 Ų39.20%026%0.255CS..EExtended strand (participates in β ladder)trans-172.5170.7176.800000112.9V312G269-V312 PolarHBondContact N-O 3.34Å; G269-V312 PolarHBondContact O-N 2.97Å
270R91.5Very high94.1Very high14 Ų1432.8 Ų32.85%0.05323%0.228CC..EExtended strand (participates in β ladder)trans-90.5133.2174.8-170.8171.2172.8-100.57.3109.6N9 Q108 D110 I252 E272 S310 N311N9-R270 PolarHBondContact ND2-NE 3.44Å; Q108-R270 HydrophobicContact CG-CB 4.49Å; Q108-R270 PolarHBondContact O-NE 2.81Å; D110-R270 IonicContact OD1-CZ 3.72Å; D110-R270 IonicContact OD1-NH2 3.86Å; D110-R270 PolarHBondContact OD1-NH2 2.89Å; I252-R270 WeakPolarHBondContact CG2-O 3.46Å; R270-E272 IonicContact CZ-OE1 3.87Å; R270-E272 IonicContact NH1-OE1 3.72Å; R270-E272 PolarHBondContact NH1-OE1 3.5Å; R270-E272 IonicContact NH1-OE2 2.84Å; R270-E272 PolarHBondContact NH1-OE2 3.01Å; R270-E272 PolarHBondContact O-N 2.79Å; R270-S310 WeakPolarHBondContact CA-O 3.48Å; R270-N311 VanDerWaalsContact CB-OD1 3.3Å; R270-N311 WeakPolarHBondContact CB-OD1 3.41Å
271V94.4Very high94.4Very high0 Ų030 Ų300%021%0.214CC..  trans-70.6111.8170-173.90000108.1L250 I252 G274 I276 A306 L307 P308 G309 S310 V312L250-V271 HydrophobicContact CD1-CG1 3.98Å; I252-V271 HydrophobicContact CD1-CG2 3.98Å; I252-V271 HydrophobicContact CG1-CG2 4.23Å; V271-G274 VanDerWaalsContact CG1-O 3.31Å; V271-G274 WeakPolarHBondContact CG1-O 3.46Å; V271-I276 HydrophobicContact CG2-CG2 3.88Å; V271-A306 HydrophobicContact CG2-CB 4.33Å; V271-L307 WeakPolarHBondContact CB-O 3.26Å; V271-P308 CarbonylContact O-C 3.58Å; V271-P308 VanDerWaalsContact O-CA 3.25Å; V271-P308 WeakPolarHBondContact O-CA 3.25Å; V271-G309 PolarHBondContact O-N 3.22Å; V271-S310 PolarHBondContact N-O 3.02Å; V271-V312 HydrophobicContact CG2-CG2 3.99Å
272E92.2Very high94.8Very high15 Ų1526.4 Ų26.47%0.0718%0.177CC..  trans-89.6-40.2-179-71.1-58.2149.700112R251 P253 R270 P424 L425R251-E272 PolarHBondContact O-N 3.42Å; P253-E272 HydrophobicContact CG-CG 3.98Å; R270-E272 IonicContact CZ-OE1 3.87Å; R270-E272 IonicContact NH1-OE1 3.72Å; R270-E272 PolarHBondContact NH1-OE1 3.5Å; R270-E272 IonicContact NH1-OE2 2.84Å; R270-E272 PolarHBondContact NH1-OE2 3.01Å; R270-E272 PolarHBondContact O-N 2.79Å; E272-P424 HydrophobicContact CB-CB 4.09Å; E272-P424 HydrophobicContact CB-CG 4.13Å; E272-P424 HydrophobicContact CG-CB 3.88Å; E272-P424 HydrophobicContact CG-CG 4.39Å; E272-P424 WeakPolarHBondContact OE2-CB 3.02Å; E272-P424 WeakPolarHBondContact OE2-CG 3.4Å; E272-L425 HydrophobicContact CB-CD1 4.19Å; E272-L425 HydrophobicContact CG-CD1 4.17Å
273T94.4Very high95.1Very high0 Ų022.5 Ų22.50%014%0.135CC..BIsolated β-bridgetrans-142.8154.6176.458.70000110.1M245 K248 P249 L250 R251 Y422M245-T273 HydrophobicContact CB-CG2 3.87Å; M245-T273 HydrophobicContact CE-CG2 3.69Å; M245-T273 HydrophobicContact SD-CG2 3.92Å; K248-T273 HydrophobicContact CB-CG2 4.21Å; K248-T273 HydrophobicContact CD-CG2 4.16Å; P249-T273 CarbonylContact O-C 3.58Å; P249-T273 WeakPolarHBondContact O-CB 3.42Å; P249-T273 PolarHBondContact O-OG1 3.36Å; L250-T273 VanDerWaalsContact CA-O 3.26Å; L250-T273 WeakPolarHBondContact CA-O 3.38Å; L250-T273 WeakPolarHBondContact CD1-O 3.41Å; R251-T273 VanDerWaalsContact CB-OG1 3.32Å; R251-T273 WeakPolarHBondContact CB-OG1 3.41Å; R251-T273 WeakPolarHBondContact CG-OG1 3.32Å; R251-T273 PolarHBondContact N-O 2.8Å; R251-T273 PolarHBondContact N-OG1 3.08Å; T273-Y422 HydrophobicContact CG2-CD1 3.86Å; T273-Y422 HydrophobicContact CG2-CE1 4.48Å; T273-Y422 WeakPolarHBondContact OG1-CD1 3.38Å
274G95.6Very high95.5Very high2 Ų218.6 Ų18.62%0.02112%0.115CC..SBendtrans70.3-168.3178.500000114.6M245 K248 V271 P308M245-G274 PolarHBondContact O-N 2.84Å; K248-G274 WeakPolarHBondContact O-CA 3.23Å; K248-G274 PolarHBondContact O-N 2.91Å; V271-G274 VanDerWaalsContact CG1-O 3.31Å; V271-G274 WeakPolarHBondContact CG1-O 3.46Å; G274-P308 WeakPolarHBondContact O-CD 3.2Å; G274-P308 WeakPolarHBondContact O-CG 3.06Å
275I96.2Very high95.7Very high43 Ų4317.2 Ų17.222%0.22110%0.1CC..  trans-125.5136.8-176.7-52.7178.4000108.7T246 K277 E305 A306 L307T246-I275 HydrophobicContact CG2-CD1 3.52Å; T246-I275 HydrophobicContact CG2-CG1 3.64Å; I275-K277 HydrophobicContact CG2-CG 3.99Å; I275-E305 HydrophobicContact CG2-CB 3.84Å; I275-A306 WeakPolarHBondContact CA-O 3.24Å; I275-A306 WeakPolarHBondContact CG2-O 3.39Å; I275-L307 HydrophobicContact CD1-CD2 3.76Å; I275-L307 HydrophobicContact CG1-CD2 3.81Å; I275-L307 HydrophobicContact CG2-CD2 4.18Å
276I97.5Very high95.6Very high0 Ų016.9 Ų16.90%010%0.099CC..BIsolated β-bridgetrans-105.9136168.4-174.1169.6000110.1L250 I252 V271 V293 V296 E305 A306 V312 F314L250-I276 HydrophobicContact CD1-CB 4.08Å; L250-I276 HydrophobicContact CD2-CB 3.99Å; L250-I276 HydrophobicContact CD2-CG1 4.27Å; I252-I276 HydrophobicContact CD1-CB 4.06Å; I252-I276 HydrophobicContact CD1-CD1 3.64Å; I252-I276 HydrophobicContact CD1-CG1 4.44Å; I252-I276 HydrophobicContact CD1-CG2 4Å; V271-I276 HydrophobicContact CG2-CG2 3.88Å; I276-V293 HydrophobicContact CD1-CG1 4.39Å; I276-V293 HydrophobicContact CD1-CG2 4.14Å; I276-V296 HydrophobicContact CD1-CG2 4.35Å; I276-V296 HydrophobicContact CG1-CG2 4.06Å; I276-V296 HydrophobicContact CG2-CG1 4.26Å; I276-E305 CarbonylContact O-C 3.52Å; I276-E305 WeakPolarHBondContact O-CA 3.33Å; I276-A306 HydrophobicContact CG2-CB 3.72Å; I276-A306 PolarHBondContact N-O 3.18Å; I276-A306 VanDerWaalsContact N-O 3.1Å; I276-A306 PolarHBondContact O-N 3.43Å; I276-V312 HydrophobicContact CG2-CG2 4.44Å; I276-F314 HydrophobicContact CD1-CB 4.16Å; I276-F314 HydrophobicContact CD1-CD1 4.11Å; I276-F314 HydrophobicContact CD1-CD2 3.92Å; I276-F314 HydrophobicContact CD1-CE1 4.48Å; I276-F314 HydrophobicContact CD1-CE2 4.28Å; I276-F314 HydrophobicContact CD1-CG 3.81Å
277K96.8Very high95.4Very high82 Ų8220 Ų2036%0.35711%0.112SC..  trans-133.5147178.5-50.2-167.6-177.7-161.90110.2I275 G279 M280 E305I275-K277 HydrophobicContact CG2-CG 3.99Å; K277-G279 PolarHBondContact O-N 2.94Å; K277-M280 HydrophobicContact CB-CG 4.13Å; K277-M280 HydrophobicContact CB-SD 3.96Å; K277-M280 HydrophobicContact CG-SD 4.13Å; K277-M280 PolarHBondContact N-SD 2.88Å; K277-M280 WeakPolarHBondContact O-CB 3.49Å; K277-M280 WeakPolarHBondContact O-CG 3.26Å; K277-M280 PolarHBondContact O-N 3.28Å; K277-E305 HydrophobicContact CD-CB 4.09Å; K277-E305 WeakPolarHBondContact CE-OE2 3.29Å; K277-E305 HydrophobicContact CG-CB 3.77Å; K277-E305 IonicContact NZ-OE2 2.81Å; K277-E305 PolarHBondContact NZ-OE2 3.02Å
278P96.6Very high95.2Very high52 Ų5220.2 Ų20.234%0.33811%0.114SC..THydrogen-bonded Turntrans-51.2138.8164-25.235.7000111.4V296 L303 T304P278-V296 HydrophobicContact CG-CG2 4.19Å; P278-L303 WeakPolarHBondContact CG-O 3.49Å; P278-T304 VanDerWaalsContact CD-O 3.25Å; P278-T304 WeakPolarHBondContact CD-O 3.37Å
279G95.3Very high95.1Very high37 Ų3719.3 Ų19.338%0.38111%0.109SC..THydrogen-bonded Turntrans88-8.7-17800000115.3K277 V293K277-G279 PolarHBondContact O-N 2.94Å; G279-V293 WeakPolarHBondContact CA-O 3.43Å; G279-V293 PolarHBondContact N-O 2.8Å
280M96.4Very high95.2Very high33 Ų3319.8 Ų19.816%0.16311%0.112CC..  trans-65.8150.5171.4-72179.669.200111.4L250 K277 E292 V293 D332L250-M280 HydrophobicContact CD2-CE 4.12Å; K277-M280 HydrophobicContact CB-CG 4.13Å; K277-M280 HydrophobicContact CB-SD 3.96Å; K277-M280 HydrophobicContact CG-SD 4.13Å; K277-M280 PolarHBondContact N-SD 2.88Å; K277-M280 WeakPolarHBondContact O-CB 3.49Å; K277-M280 WeakPolarHBondContact O-CG 3.26Å; K277-M280 PolarHBondContact O-N 3.28Å; M280-E292 WeakPolarHBondContact O-CA 3.38Å; M280-V293 PolarHBondContact O-N 2.83Å; M280-D332 HydrophobicContact CE-CB 3.78Å; M280-D332 WeakPolarHBondContact CE-OD2 3.26Å
281V96.9Very high95.4Very high12 Ų1219.1 Ų19.17%0.07311%0.109CC..EExtended strand (participates in β ladder)trans-98.9118.3167.3-174.60000107.3T291 S333 A458 V461V281-T291 CarbonylContact C-O 3.56Å; V281-T291 VanDerWaalsContact CA-O 3.29Å; V281-T291 WeakPolarHBondContact CA-O 3.42Å; V281-S333 WeakPolarHBondContact CG1-OG 3.49Å; V281-S333 WeakPolarHBondContact O-CB 3.33Å; V281-S333 PolarHBondContact O-N 3.38Å; V281-S333 PolarHBondContact O-OG 3.48Å; V281-A458 HydrophobicContact CG1-CB 3.55Å; V281-V461 HydrophobicContact CG2-CB 3.86Å; V281-V461 HydrophobicContact CG2-CG1 3.69Å
282V97.1Very high95.5Very high0 Ų020.5 Ų20.50%012%0.116CC..EExtended strand (participates in β ladder)trans-108.7141.8-179.2-64.40000110.7L250 F284 S290 T291 V293 G331L250-V282 HydrophobicContact CD2-CG1 4.17Å; V282-F284 HydrophobicContact CG2-CE2 4.02Å; V282-F284 HydrophobicContact CG2-CZ 4.14Å; V282-S290 CarbonylContact O-C 3.57Å; V282-S290 VanDerWaalsContact O-CA 3.25Å; V282-S290 WeakPolarHBondContact O-CA 3.48Å; V282-T291 HydrophobicContact CG2-CG2 4.18Å; V282-T291 PolarHBondContact N-O 3.39Å; V282-T291 PolarHBondContact O-N 3.33Å; V282-V293 HydrophobicContact CB-CG2 4.28Å; V282-V293 HydrophobicContact CG1-CG2 3.59Å; V282-V293 HydrophobicContact CG2-CG2 3.67Å; V282-G331 CarbonylContact C-O 3.48Å; V282-G331 WeakPolarHBondContact CA-O 3.49Å
283T97.1Very high95.7Very high13 Ų1319.8 Ų19.88%0.0811%0.112CC..EExtended strand (participates in β ladder)trans-102.7129.9171.4-57.70000109.6L289 S290 A330 G331 S333 P337T283-L289 CarbonylContact C-O 3.51Å; T283-L289 WeakPolarHBondContact CA-O 3.33Å; T283-S290 PolarHBondContact OG1-OG 3.01Å; T283-S290 VanDerWaalsContact OG1-OG 3.09Å; T283-A330 WeakPolarHBondContact O-CA 3.28Å; T283-G331 PolarHBondContact N-O 3.16Å; T283-G331 PolarHBondContact O-N 3.38Å; T283-S333 PolarHBondContact N-OG 3.46Å; T283-S333 WeakPolarHBondContact OG1-CA 3.36Å; T283-S333 WeakPolarHBondContact OG1-CB 3.23Å; T283-S333 PolarHBondContact OG1-OG 2.98Å; T283-P337 HydrophobicContact CG2-CB 4.41Å
284F97.4Very high95.8Very high0 Ų023.3 Ų23.30%013%0.128CC..EExtended strand (participates in β ladder)trans-95.6120.3170.9-63.5-82.2000110.6L254 P267 V282 G288 L289 T291 F314 V316 I324 V329 A330L254-F284 HydrophobicContact CD1-CD1 4Å; L254-F284 HydrophobicContact CD1-CE1 3.92Å; L254-F284 HydrophobicContact CD2-CE1 4.3Å; P267-F284 HydrophobicContact CG-CE1 4.33Å; P267-F284 HydrophobicContact CG-CZ 4.13Å; V282-F284 HydrophobicContact CG2-CE2 4.02Å; V282-F284 HydrophobicContact CG2-CZ 4.14Å; F284-G288 WeakPolarHBondContact O-CA 3.13Å; F284-G288 PolarHBondContact O-N 3.15Å; F284-L289 PolarHBondContact N-O 2.8Å; F284-L289 PolarHBondContact O-N 3.34Å; F284-T291 HydrophobicContact CD2-CG2 4.45Å; F284-T291 HydrophobicContact CE2-CG2 3.69Å; F284-F314 HydrophobicContact CE1-CE2 4.08Å; F284-F314 HydrophobicContact CE1-CZ 4.07Å; F284-F314 AromaticContact CZ-CE2 3.82Å; F284-F314 HydrophobicContact CZ-CE2 3.82Å; F284-F314 HydrophobicContact CZ-CZ 4.27Å; F284-V316 HydrophobicContact CE2-CG1 4.29Å; F284-V316 HydrophobicContact CZ-CG1 4.04Å; F284-I324 HydrophobicContact CB-CG2 3.98Å; F284-I324 HydrophobicContact CD1-CG2 4.1Å; F284-I324 HydrophobicContact CD2-CG2 4.01Å; F284-I324 HydrophobicContact CE1-CD1 4.3Å; F284-I324 HydrophobicContact CE2-CG2 4.5Å; F284-I324 HydrophobicContact CG-CG2 3.77Å; F284-I324 HydrophobicContact CZ-CD1 4.22Å; F284-V329 WeakPolarHBondContact CA-O 3.37Å; F284-A330 HydrophobicContact CD1-CB 3.73Å; F284-A330 HydrophobicContact CE1-CB 3.6Å; F284-A330 HydrophobicContact CZ-CB 4.44Å
285A96.7Very high95.8Very high0 Ų025 Ų250%014%0.139CC..EExtended strand (participates in β ladder)trans-97.2148.7169.300000110.9N328 V329 P338 C415A285-N328 CarbonylContact O-C 3.57Å; A285-N328 VanDerWaalsContact O-CA 3.25Å; A285-N328 WeakPolarHBondContact O-CA 3.26Å; A285-N328 VanDerWaalsContact O-CB 3.25Å; A285-N328 WeakPolarHBondContact O-CB 3.18Å; A285-V329 PolarHBondContact N-O 2.9Å; A285-V329 PolarHBondContact O-N 3.41Å; A285-P338 HydrophobicContact CB-CB 3.79Å; A285-P338 HydrophobicContact CB-CG 4Å; A285-P338 WeakPolarHBondContact CB-O 3.46Å; A285-C415 HydrophobicContact CB-CB 3.86Å
286P95.3Very high95.8Very high5 Ų523 Ų233%0.03213%0.129CC..THydrogen-bonded Turncis-83.5-11.812.431.4-35.3000116G288 N328 E340 P413P286-G288 VanDerWaalsContact C-N 3.32Å; P286-G288 PolarHBondContact O-N 3.44Å; P286-N328 WeakPolarHBondContact CD-ND2 3.35Å; P286-E340 HydrophobicContact CB-CB 3.67Å; P286-E340 HydrophobicContact CB-CG 3.79Å; P286-P413 HydrophobicContact CB-CB 3.71Å; P286-P413 HydrophobicContact CG-CB 3.43Å; P286-P413 VanDerWaalsContact CG-CB 3.43Å
287Q90.9Very high95.6Very high78 Ų7826.3 Ų26.336%0.36414%0.144SC..THydrogen-bonded Turntrans-73.2-17.8-168.1-54.881.42.700114.8L289 N328Q287-L289 VanDerWaalsContact C-N 3.34Å; Q287-N328 PolarHBondContact NE2-OD1 2.77Å; Q287-N328 VanDerWaalsContact NE2-OD1 3.09Å; Q287-N328 PolarHBondContact OE1-OD1 3.19Å
288G92.6Very high95.1Very high5 Ų524.7 Ų24.75%0.05214%0.138CC..THydrogen-bonded Turntrans7225.3-177.500000113.7F284 P286 K453F284-G288 WeakPolarHBondContact O-CA 3.13Å; F284-G288 PolarHBondContact O-N 3.15Å; P286-G288 VanDerWaalsContact C-N 3.32Å; P286-G288 PolarHBondContact O-N 3.44Å; G288-K453 PolarHBondContact O-N 3.25Å
289L93.3Very high94.2Very high15 Ų1526.2 Ų26.28%0.07914%0.141CC..EExtended strand (participates in β ladder)trans-79.9120.5179.9179.866.3000110.3T283 F284 Q287 V319 E323 I324 K453 T455T283-L289 CarbonylContact C-O 3.51Å; T283-L289 WeakPolarHBondContact CA-O 3.33Å; F284-L289 PolarHBondContact N-O 2.8Å; F284-L289 PolarHBondContact O-N 3.34Å; Q287-L289 VanDerWaalsContact C-N 3.34Å; L289-V319 HydrophobicContact CD2-CB 4.23Å; L289-V319 HydrophobicContact CD2-CG1 3.63Å; L289-V319 HydrophobicContact CD2-CG2 3.68Å; L289-V319 HydrophobicContact CG-CG2 4.26Å; L289-E323 HydrophobicContact CD2-CB 4.15Å; L289-I324 HydrophobicContact CD2-CG2 4.38Å; L289-K453 WeakPolarHBondContact CA-O 3.25Å; L289-K453 HydrophobicContact CD1-CB 4.23Å; L289-T455 HydrophobicContact CD1-CG2 4.04Å
290S95.4Very high93.4Very high9 Ų933.1 Ų33.16%0.06316%0.163CC..EExtended strand (participates in β ladder)trans-108.1130.5-178.3-54.60000112.9V282 T283 K453 T455 A458V282-S290 CarbonylContact O-C 3.57Å; V282-S290 VanDerWaalsContact O-CA 3.25Å; V282-S290 WeakPolarHBondContact O-CA 3.48Å; T283-S290 PolarHBondContact OG1-OG 3.01Å; T283-S290 VanDerWaalsContact OG1-OG 3.09Å; S290-K453 PolarHBondContact N-O 2.68Å; S290-T455 WeakPolarHBondContact O-CB 3.46Å; S290-T455 VanDerWaalsContact O-CG2 3.28Å; S290-T455 WeakPolarHBondContact O-CG2 3.38Å; S290-T455 PolarHBondContact O-N 3.27Å; S290-T455 PolarHBondContact O-OG1 2.84Å; S290-A458 WeakPolarHBondContact O-CB 3.46Å
291T96.2Very high93Very high0 Ų038.2 Ų38.20%019%0.186CC..EExtended strand (participates in β ladder)trans-147.2162.2-179.5-165.80000114V281 V282 F284 V316 K317 V319 T455V281-T291 CarbonylContact C-O 3.56Å; V281-T291 VanDerWaalsContact CA-O 3.29Å; V281-T291 WeakPolarHBondContact CA-O 3.42Å; V282-T291 HydrophobicContact CG2-CG2 4.18Å; V282-T291 PolarHBondContact N-O 3.39Å; V282-T291 PolarHBondContact O-N 3.33Å; F284-T291 HydrophobicContact CD2-CG2 4.45Å; F284-T291 HydrophobicContact CE2-CG2 3.69Å; T291-V316 HydrophobicContact CG2-CB 3.62Å; T291-V316 HydrophobicContact CG2-CG1 3.72Å; T291-V316 HydrophobicContact CG2-CG2 4.45Å; T291-K317 PolarHBondContact OG1-O 2.96Å; T291-V319 HydrophobicContact CG2-CG2 3.79Å; T291-T455 WeakPolarHBondContact CA-OG1 3.45Å; T291-T455 PolarHBondContact OG1-OG1 2.83Å
292E96.1Very high92.7Very high30 Ų3041.8 Ų41.814%0.1422%0.217CC..EExtended strand (participates in β ladder)trans-84.5131.9176.5-175.6-170.317700110.5M280 K294 K317 V461M280-E292 WeakPolarHBondContact O-CA 3.38Å; E292-K294 WeakPolarHBondContact OE1-CE 3.43Å; E292-K294 IonicContact OE1-NZ 2.63Å; E292-K294 PolarHBondContact OE1-NZ 2.89Å; E292-K294 WeakPolarHBondContact OE2-CE 3.49Å; E292-K294 IonicContact OE2-NZ 2.79Å; E292-K294 PolarHBondContact OE2-NZ 3.36Å; E292-K317 PolarHBondContact O-N 3.21Å; E292-V461 HydrophobicContact CB-CG2 4.24Å; E292-V461 HydrophobicContact CG-CG2 3.83Å
293V97.1Very high92.4Very high0 Ų043.6 Ų43.60%023%0.226CC..EExtended strand (participates in β ladder)trans-78.8125.8169-178.70000109.1I276 G279 M280 V282 V296 F314 N315I276-V293 HydrophobicContact CD1-CG1 4.39Å; I276-V293 HydrophobicContact CD1-CG2 4.14Å; G279-V293 WeakPolarHBondContact CA-O 3.43Å; G279-V293 PolarHBondContact N-O 2.8Å; M280-V293 PolarHBondContact O-N 2.83Å; V282-V293 HydrophobicContact CB-CG2 4.28Å; V282-V293 HydrophobicContact CG1-CG2 3.59Å; V282-V293 HydrophobicContact CG2-CG2 3.67Å; V293-V296 HydrophobicContact CG1-CG2 3.76Å; V293-F314 HydrophobicContact CG1-CB 4.07Å; V293-F314 HydrophobicContact CG1-CD2 4.4Å; V293-F314 HydrophobicContact CG2-CD2 4.17Å; V293-N315 CarbonylContact C-O 3.52Å; V293-N315 WeakPolarHBondContact CA-O 3.39Å
294K96Very high92.3Very high74 Ų7448.9 Ų48.932%0.32226%0.259SS..EExtended strand (participates in β ladder)trans-94.7-42-178.2-76.1-72.2154.2-162.90114.1E292 N315 K317E292-K294 WeakPolarHBondContact OE1-CE 3.43Å; E292-K294 IonicContact OE1-NZ 2.63Å; E292-K294 PolarHBondContact OE1-NZ 2.89Å; E292-K294 WeakPolarHBondContact OE2-CE 3.49Å; E292-K294 IonicContact OE2-NZ 2.79Å; E292-K294 PolarHBondContact OE2-NZ 3.36Å; K294-N315 HydrophobicContact CB-CB 4.25Å; K294-N315 VanDerWaalsContact CB-OD1 3.3Å; K294-N315 WeakPolarHBondContact CB-OD1 3.25Å; K294-N315 PolarHBondContact N-O 3.28Å; K294-K317 HydrophobicContact CD-CD 4.08Å; K294-K317 VanDerWaalsContact CD-CE 3.47Å; K294-K317 HydrophobicContact CD-CG 4.15Å; K294-K317 VanDerWaalsContact CE-CD 3.4Å; K294-K317 HydrophobicContact CG-CD 4.06Å; K294-K317 HydrophobicContact CG-CG 3.57Å
295S95.8Very high92.1Very high36 Ų3652.4 Ų52.425%0.25228%0.275SS..EExtended strand (participates in β ladder)trans-145.6155.7176.659.20000108.5F314 N315S295-F314 CarbonylContact O-C 3.53Å; S295-F314 VanDerWaalsContact O-CA 3.27Å; S295-F314 WeakPolarHBondContact O-CA 3.48Å; S295-F314 WeakPolarHBondContact O-CB 2.97Å; S295-N315 PolarHBondContact O-N 2.82Å; S295-N315 WeakPolarHBondContact OG-CB 2.81Å
296V96Very high91.9Very high1 Ų152.5 Ų52.51%0.00628%0.276CS..EExtended strand (participates in β ladder)trans-127.2132172-177.70000105.8I276 P278 V293 L303 A306 V312 F314I276-V296 HydrophobicContact CD1-CG2 4.35Å; I276-V296 HydrophobicContact CG1-CG2 4.06Å; I276-V296 HydrophobicContact CG2-CG1 4.26Å; P278-V296 HydrophobicContact CG-CG2 4.19Å; V293-V296 HydrophobicContact CG1-CG2 3.76Å; V296-L303 HydrophobicContact CG1-CB 4.46Å; V296-L303 PolarHBondContact O-N 3.29Å; V296-A306 HydrophobicContact CG1-CB 4.03Å; V296-V312 HydrophobicContact CG1-CB 3.93Å; V296-V312 HydrophobicContact CG1-CG1 3.99Å; V296-V312 HydrophobicContact CG1-CG2 4.33Å; V296-F314 HydrophobicContact CG2-CB 4.12Å
297E92.1Very high91.8Very high71 Ų7155.7 Ų55.733%0.33229%0.292SS..EExtended strand (participates in β ladder)trans-131.5142.5-178.2-69.9174.9-148.500110.2E301 V312 G313E297-E301 CarbonylContact C-O 3.57Å; E297-E301 VanDerWaalsContact CA-O 3.24Å; E297-E301 WeakPolarHBondContact CA-O 3.06Å; E297-V312 CarbonylContact O-C 3.54Å; E297-V312 VanDerWaalsContact O-CA 3.31Å; E297-V312 WeakPolarHBondContact O-CA 3.44Å; E297-G313 PolarHBondContact N-O 2.9Å; E297-G313 PolarHBondContact O-N 3.44Å
298M86.7Confident91.8Very high47 Ų4752.3 Ų52.323%0.23228%0.277CS..EExtended strand (participates in β ladder)trans-131.2115.6172.9-177.2175.575.600107.2H300 E301 L303 N311 V312M298-H300 PolarHBondContact O-N 2.83Å; M298-E301 PolarHBondContact N-O 3.32Å; M298-E301 PolarHBondContact O-N 2.83Å; M298-L303 HydrophobicContact CB-CD1 3.48Å; M298-L303 VanDerWaalsContact CB-CD1 3.48Å; M298-L303 HydrophobicContact CB-CG 4.08Å; M298-L303 HydrophobicContact CG-CD1 4.5Å; M298-L303 HydrophobicContact SD-CD1 4.45Å; M298-N311 WeakPolarHBondContact CG-O 3.37Å; M298-V312 HydrophobicContact CB-CG1 4.26Å
299H78.4Confident91.5Very high85 Ų8552.2 Ų52.239%0.39428%0.277SS..THydrogen-bonded Turntrans55.443.7-176.4-52.5-73.4000114.8K79 E301K79-H299 WeakPolarHBondContact CE-CE1 3.31Å; K79-H299 WeakPolarHBondContact CE-ND1 3.25Å; K79-H299 WeakPolarHBondContact CE-NE2 3.39Å; K79-H299 PolarHBondContact NZ-CD2 3.06Å; K79-H299 PolarHBondContact NZ-CE1 2.8Å; K79-H299 PolarHBondContact NZ-ND1 3.01Å; K79-H299 PolarHBondContact NZ-NE2 3.42Å; H299-E301 PolarHBondContact O-N 3.21Å
300H78.9Confident91.2Very high182 Ų18252.6 Ų52.684%0.84328%0.28SS*.THydrogen-bonded Turntrans66.99.9-179.4-48.3-67000115.1M298M298-H300 PolarHBondContact O-N 2.83Å
301E86.6Confident90.9Very high140 Ų14053.1 Ų53.165%0.65428%0.283SS*.EExtended strand (participates in β ladder)trans-102.9131170.2-64.6-177.8170.800109.6E297 M298 H299E297-E301 CarbonylContact C-O 3.57Å; E297-E301 VanDerWaalsContact CA-O 3.24Å; E297-E301 WeakPolarHBondContact CA-O 3.06Å; M298-E301 PolarHBondContact N-O 3.32Å; M298-E301 PolarHBondContact O-N 2.83Å; H299-E301 PolarHBondContact O-N 3.21Å
302A90.9Very high90.7Very high86 Ų8653.2 Ų53.271%0.71128%0.283SS*.EExtended strand (participates in β ladder)trans-72.3134.8177.200000110.8
303L91.3Very high90.7Very high38 Ų3852.5 Ų52.520%0.19928%0.284CS..  trans-111139.3179.8-61.7-177000111.2P278 V296 M298 E305 A306 V312P278-L303 WeakPolarHBondContact CG-O 3.49Å; V296-L303 HydrophobicContact CG1-CB 4.46Å; V296-L303 PolarHBondContact O-N 3.29Å; M298-L303 HydrophobicContact CB-CD1 3.48Å; M298-L303 VanDerWaalsContact CB-CD1 3.48Å; M298-L303 HydrophobicContact CB-CG 4.08Å; M298-L303 HydrophobicContact CG-CD1 4.5Å; M298-L303 HydrophobicContact SD-CD1 4.45Å; L303-E305 VanDerWaalsContact C-N 3.33Å; L303-A306 HydrophobicContact CD1-CB 3.87Å; L303-V312 HydrophobicContact CD1-CG1 4.26Å
304T94Very high90.7Very high124 Ų12452.5 Ų52.576%0.76128%0.284SS*.SBendtrans-74.7-29.2169.252.20000111.7P278P278-T304 VanDerWaalsContact CD-O 3.25Å; P278-T304 WeakPolarHBondContact CD-O 3.37Å
305E94.2Very high90.7Very high75 Ų7549.7 Ų49.735%0.3527%0.272SS..  trans-156.3153.4172.160.7-178.2-151.800110.1I275 I276 K277 L303I275-E305 HydrophobicContact CG2-CB 3.84Å; I276-E305 CarbonylContact O-C 3.52Å; I276-E305 WeakPolarHBondContact O-CA 3.33Å; K277-E305 HydrophobicContact CD-CB 4.09Å; K277-E305 WeakPolarHBondContact CE-OE2 3.29Å; K277-E305 HydrophobicContact CG-CB 3.77Å; K277-E305 IonicContact NZ-OE2 2.81Å; K277-E305 PolarHBondContact NZ-OE2 3.02Å; L303-E305 VanDerWaalsContact C-N 3.33Å
306A93Very high90.7Very high1 Ų148.2 Ų48.21%0.00826%0.262CS..BIsolated β-bridgetrans-124.9130170.900000110.4V271 I275 I276 V296 L303 V312V271-A306 HydrophobicContact CG2-CB 4.33Å; I275-A306 WeakPolarHBondContact CA-O 3.24Å; I275-A306 WeakPolarHBondContact CG2-O 3.39Å; I276-A306 HydrophobicContact CG2-CB 3.72Å; I276-A306 PolarHBondContact N-O 3.18Å; I276-A306 VanDerWaalsContact N-O 3.1Å; I276-A306 PolarHBondContact O-N 3.43Å; V296-A306 HydrophobicContact CG1-CB 4.03Å; L303-A306 HydrophobicContact CD1-CB 3.87Å; A306-V312 HydrophobicContact CB-CG1 3.56Å
307L92.8Very high90.5Very high72 Ų7252.7 Ų52.738%0.37728%0.281SS..  trans-93.8167.5-175.3-57.9178.8000110.7T246 V271 I275 G309 S310T246-L307 HydrophobicContact CG2-CD2 4.28Å; V271-L307 WeakPolarHBondContact CB-O 3.26Å; I275-L307 HydrophobicContact CD1-CD2 3.76Å; I275-L307 HydrophobicContact CG1-CD2 3.81Å; I275-L307 HydrophobicContact CG2-CD2 4.18Å; L307-G309 PolarHBondContact O-N 3.01Å; L307-S310 WeakPolarHBondContact O-CB 3.42Å; L307-S310 PolarHBondContact O-N 3.17Å; L307-S310 PolarHBondContact O-OG 2.81Å
308P91Very high90.4Very high7 Ų754.3 Ų54.35%0.04529%0.292CS..THydrogen-bonded Turntrans-54.4138.1174.1-24.634.6000112.1R244 V271 G274R244-P308 HydrophobicContact CB-CB 4.16Å; R244-P308 HydrophobicContact CB-CG 4.43Å; R244-P308 VanDerWaalsContact CD-O 3.24Å; R244-P308 WeakPolarHBondContact CD-O 3.5Å; R244-P308 PolarHBondContact NE-O 2.79Å; V271-P308 CarbonylContact O-C 3.58Å; V271-P308 VanDerWaalsContact O-CA 3.25Å; V271-P308 WeakPolarHBondContact O-CA 3.25Å; G274-P308 WeakPolarHBondContact O-CD 3.2Å; G274-P308 WeakPolarHBondContact O-CG 3.06Å
309G85.8Confident90.7Very high4 Ų452.4 Ų52.44%0.04128%0.283CS..THydrogen-bonded Turntrans98.8-24.8-174.500000114.6N9 V271 L307 N311N9-G309 PolarHBondContact ND2-O 3.28Å; V271-G309 PolarHBondContact O-N 3.22Å; L307-G309 PolarHBondContact O-N 3.01Å; G309-N311 PolarHBondContact O-N 3.38Å
310S88Confident91.5Very high23 Ų2350.4 Ų50.416%0.16128%0.281CS..  trans-69.3127.4179-61.80000111.8R270 V271 L307R270-S310 WeakPolarHBondContact CA-O 3.48Å; V271-S310 PolarHBondContact N-O 3.02Å; L307-S310 WeakPolarHBondContact O-CB 3.42Å; L307-S310 PolarHBondContact O-N 3.17Å; L307-S310 PolarHBondContact O-OG 2.81Å
311N88.1Confident92.1Very high20 Ų2044 Ų4411%0.10725%0.254CS..EExtended strand (participates in β ladder)trans-87108.7168.8-73.1-51.1000109Q108 R270 M298 G309Q108-N311 PolarHBondContact OE1-OD1 3.21Å; R270-N311 VanDerWaalsContact CB-OD1 3.3Å; R270-N311 WeakPolarHBondContact CB-OD1 3.41Å; M298-N311 WeakPolarHBondContact CG-O 3.37Å; G309-N311 PolarHBondContact O-N 3.38Å
312V92.7Very high92.4Very high1 Ų141.6 Ų41.61%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-123.5145.9-169.8-62.10000112.6V268 G269 V271 I276 V296 E297 M298 L303 A306 F314V268-V312 VanDerWaalsContact CA-O 3.3Å; V268-V312 WeakPolarHBondContact CA-O 3.29Å; G269-V312 PolarHBondContact N-O 3.34Å; G269-V312 PolarHBondContact O-N 2.97Å; V271-V312 HydrophobicContact CG2-CG2 3.99Å; I276-V312 HydrophobicContact CG2-CG2 4.44Å; V296-V312 HydrophobicContact CG1-CB 3.93Å; V296-V312 HydrophobicContact CG1-CG1 3.99Å; V296-V312 HydrophobicContact CG1-CG2 4.33Å; E297-V312 CarbonylContact O-C 3.54Å; E297-V312 VanDerWaalsContact O-CA 3.31Å; E297-V312 WeakPolarHBondContact O-CA 3.44Å; M298-V312 HydrophobicContact CB-CG1 4.26Å; L303-V312 HydrophobicContact CD1-CG1 4.26Å; A306-V312 HydrophobicContact CB-CG1 3.56Å; V312-F314 HydrophobicContact CG2-CD1 4.26Å
313G95.6Very high92.6Very high15 Ų1541.4 Ų41.416%0.15524%0.238CC..EExtended strand (participates in β ladder)trans-100.5135158.500000109.2P267 E297P267-G313 WeakPolarHBondContact O-CA 3.35Å; E297-G313 PolarHBondContact N-O 2.9Å; E297-G313 PolarHBondContact O-N 3.44Å
314F97.2Very high92.7Very high1 Ų139.7 Ų39.70%0.00423%0.228CC..EExtended strand (participates in β ladder)trans-132.9129.5-179.958.1-82.6000111.7I252 L254 P267 I276 F284 V293 S295 V296 V312 V316 A330I252-F314 HydrophobicContact CD1-CE1 4.16Å; I252-F314 HydrophobicContact CG2-CE1 4.22Å; L254-F314 HydrophobicContact CD2-CE1 4.26Å; L254-F314 HydrophobicContact CD2-CZ 4.02Å; P267-F314 HydrophobicContact CB-CE1 3.99Å; P267-F314 HydrophobicContact CB-CE2 4.23Å; P267-F314 HydrophobicContact CB-CZ 3.78Å; P267-F314 WeakPolarHBondContact CD-O 3.26Å; P267-F314 HydrophobicContact CG-CD1 4.2Å; P267-F314 HydrophobicContact CG-CD2 3.72Å; P267-F314 HydrophobicContact CG-CE1 3.86Å; P267-F314 HydrophobicContact CG-CE2 3.35Å; P267-F314 HydrophobicContact CG-CG 4.14Å; P267-F314 HydrophobicContact CG-CZ 3.43Å; P267-F314 VanDerWaalsContact CG-CZ 3.43Å; P267-F314 WeakPolarHBondContact CG-O 3.23Å; P267-F314 PolarHBondContact O-N 3.11Å; I276-F314 HydrophobicContact CD1-CB 4.16Å; I276-F314 HydrophobicContact CD1-CD1 4.11Å; I276-F314 HydrophobicContact CD1-CD2 3.92Å; I276-F314 HydrophobicContact CD1-CE1 4.48Å; I276-F314 HydrophobicContact CD1-CE2 4.28Å; I276-F314 HydrophobicContact CD1-CG 3.81Å; F284-F314 HydrophobicContact CE1-CE2 4.08Å; F284-F314 HydrophobicContact CE1-CZ 4.07Å; F284-F314 AromaticContact CZ-CE2 3.82Å; F284-F314 HydrophobicContact CZ-CE2 3.82Å; F284-F314 HydrophobicContact CZ-CZ 4.27Å; V293-F314 HydrophobicContact CG1-CB 4.07Å; V293-F314 HydrophobicContact CG1-CD2 4.4Å; V293-F314 HydrophobicContact CG2-CD2 4.17Å; S295-F314 CarbonylContact O-C 3.53Å; S295-F314 VanDerWaalsContact O-CA 3.27Å; S295-F314 WeakPolarHBondContact O-CA 3.48Å; S295-F314 WeakPolarHBondContact O-CB 2.97Å; V296-F314 HydrophobicContact CG2-CB 4.12Å; V312-F314 HydrophobicContact CG2-CD1 4.26Å; F314-V316 HydrophobicContact CD2-CG1 3.84Å; F314-V316 HydrophobicContact CE2-CG1 4Å; F314-A330 HydrophobicContact CZ-CB 4.03Å
315N96.5Very high92.7Very high15 Ų1538.2 Ų38.28%0.0821%0.213CC..EExtended strand (participates in β ladder)trans-77.7133.5-178.9179.1-107000110.9I263 T265 V266 V293 K294 S295I263-N315 HydrophobicContact CG2-CB 4.17Å; I263-N315 WeakPolarHBondContact CG2-ND2 3.46Å; I263-N315 PolarHBondContact O-ND2 2.84Å; T265-N315 PolarHBondContact O-ND2 2.83Å; V266-N315 HydrophobicContact CG2-CB 4.45Å; V293-N315 CarbonylContact C-O 3.52Å; V293-N315 WeakPolarHBondContact CA-O 3.39Å; K294-N315 HydrophobicContact CB-CB 4.25Å; K294-N315 VanDerWaalsContact CB-OD1 3.3Å; K294-N315 WeakPolarHBondContact CB-OD1 3.25Å; K294-N315 PolarHBondContact N-O 3.28Å; S295-N315 PolarHBondContact O-N 2.82Å; S295-N315 WeakPolarHBondContact OG-CB 2.81Å
316V96Very high92.7Very high5 Ų539.6 Ų39.63%0.0322%0.215CC..EExtended strand (participates in β ladder)trans-123.6143.6177-680000112T265 P267 F284 T291 F314 V319T265-V316 HydrophobicContact CG2-CG2 4.23Å; T265-V316 PolarHBondContact O-N 3.41Å; T265-V316 VanDerWaalsContact O-N 3.13Å; P267-V316 HydrophobicContact CG-CG1 4.39Å; P267-V316 HydrophobicContact CG-CG2 4.37Å; F284-V316 HydrophobicContact CE2-CG1 4.29Å; F284-V316 HydrophobicContact CZ-CG1 4.04Å; T291-V316 HydrophobicContact CG2-CB 3.62Å; T291-V316 HydrophobicContact CG2-CG1 3.72Å; T291-V316 HydrophobicContact CG2-CG2 4.45Å; F314-V316 HydrophobicContact CD2-CG1 3.84Å; F314-V316 HydrophobicContact CE2-CG1 4Å; V316-V319 HydrophobicContact CG2-CB 4.14Å; V316-V319 HydrophobicContact CG2-CG2 4.46Å
317K90.6Very high92.8Very high95 Ų9539.8 Ų39.841%0.41322%0.217SC..SBendtrans-89149.4178.7-71.4-150.2168.3173.20112.8T291 E292 K294 V319T291-K317 PolarHBondContact OG1-O 2.96Å; E292-K317 PolarHBondContact O-N 3.21Å; K294-K317 HydrophobicContact CD-CD 4.08Å; K294-K317 VanDerWaalsContact CD-CE 3.47Å; K294-K317 HydrophobicContact CD-CG 4.15Å; K294-K317 VanDerWaalsContact CE-CD 3.4Å; K294-K317 HydrophobicContact CG-CD 4.06Å; K294-K317 HydrophobicContact CG-CG 3.57Å; K317-V319 PolarHBondContact O-N 3.16Å; K317-V319 VanDerWaalsContact O-N 3.12Å
318N90.9Very high93Very high105 Ų10537 Ų3756%0.56120%0.202SC*.SBendtrans54.732.3167.8-52.5-49000114.3T455 S457N318-T455 HydrophobicContact CB-CG2 4.21Å; N318-S457 PolarHBondContact ND2-OG 3.28Å
319V93.4Very high93.3Very high7 Ų736.6 Ų36.64%0.04220%0.2CC..  trans-125.7125.2173.1177.10000107.2T265 L289 T291 V316 K317 E323 I324 T455T265-V319 VanDerWaalsContact CB-O 3.31Å; T265-V319 WeakPolarHBondContact CB-O 3.43Å; T265-V319 PolarHBondContact OG1-O 3.21Å; L289-V319 HydrophobicContact CD2-CB 4.23Å; L289-V319 HydrophobicContact CD2-CG1 3.63Å; L289-V319 HydrophobicContact CD2-CG2 3.68Å; L289-V319 HydrophobicContact CG-CG2 4.26Å; T291-V319 HydrophobicContact CG2-CG2 3.79Å; V316-V319 HydrophobicContact CG2-CB 4.14Å; V316-V319 HydrophobicContact CG2-CG2 4.46Å; K317-V319 PolarHBondContact O-N 3.16Å; K317-V319 VanDerWaalsContact O-N 3.12Å; V319-E323 HydrophobicContact CG1-CB 4.2Å; V319-I324 HydrophobicContact CG1-CD1 4.07Å; V319-I324 HydrophobicContact CG1-CG1 4.01Å; V319-I324 HydrophobicContact CG1-CG2 4.05Å; V319-T455 HydrophobicContact CG2-CG2 4.2Å
320A93.5Very high93.9Very high42 Ų4236.4 Ų36.435%0.34720%0.198SC..  trans-79.4150.3172.900000110.8S322 E323A320-S322 PolarHBondContact O-N 3.49Å; A320-S322 VanDerWaalsContact O-N 3.08Å; A320-E323 HydrophobicContact CB-CG 4.19Å; A320-E323 PolarHBondContact N-OE2 3.29Å; A320-E323 WeakPolarHBondContact O-CB 3.39Å; A320-E323 PolarHBondContact O-N 3.42Å
321V92.3Very high94.4Very high47 Ų4735.3 Ų35.329%0.28519%0.19SC..THydrogen-bonded Turntrans-56-25.2175.5-136.20000112.9V257 K259 E323V257-V321 HydrophobicContact CB-CG1 4.14Å; V257-V321 HydrophobicContact CG1-CG1 3.6Å; K259-V321 HydrophobicContact CB-CG2 3.71Å; K259-V321 HydrophobicContact CD-CG2 4.01Å; K259-V321 HydrophobicContact CG-CG2 4.11Å; V321-E323 VanDerWaalsContact C-N 3.34Å
322S93.5Very high94.7Very high90 Ų9035.8 Ų35.863%0.62919%0.193SC*.THydrogen-bonded Turntrans-82.7-6.2178.356.60000114A320 H325A320-S322 PolarHBondContact O-N 3.49Å; A320-S322 VanDerWaalsContact O-N 3.08Å; S322-H325 PolarHBondContact O-CE1 2.84Å; S322-H325 PolarHBondContact O-NE2 3.07Å
323E93.6Very high94.8Very high83 Ų8337.2 Ų37.239%0.38820%0.203SC..THydrogen-bonded Turntrans-94.8-22.2-179-66.8-179.6100.600112.6L289 V319 A320 V321L289-E323 HydrophobicContact CD2-CB 4.15Å; V319-E323 HydrophobicContact CG1-CB 4.2Å; A320-E323 HydrophobicContact CB-CG 4.19Å; A320-E323 PolarHBondContact N-OE2 3.29Å; A320-E323 WeakPolarHBondContact O-CB 3.39Å; A320-E323 PolarHBondContact O-N 3.42Å; V321-E323 VanDerWaalsContact C-N 3.34Å
324I95Very high94.7Very high1 Ų142.1 Ų42.11%0.00522%0.22CC..SBendtrans-128.3141.3179.855.2168.8000109.8L254 V257 T265 P267 F284 L289 V319L254-I324 HydrophobicContact CD1-CB 4.29Å; L254-I324 HydrophobicContact CD1-CD1 4.36Å; V257-I324 HydrophobicContact CG1-CD1 3.75Å; V257-I324 HydrophobicContact CG1-CG1 3.84Å; V257-I324 HydrophobicContact CG2-CD1 4.19Å; V257-I324 HydrophobicContact CG2-CG1 4.09Å; T265-I324 HydrophobicContact CG2-CD1 4.03Å; P267-I324 HydrophobicContact CB-CD1 4.13Å; P267-I324 HydrophobicContact CG-CD1 4.18Å; F284-I324 HydrophobicContact CB-CG2 3.98Å; F284-I324 HydrophobicContact CD1-CG2 4.1Å; F284-I324 HydrophobicContact CD2-CG2 4.01Å; F284-I324 HydrophobicContact CE1-CD1 4.3Å; F284-I324 HydrophobicContact CE2-CG2 4.5Å; F284-I324 HydrophobicContact CG-CG2 3.77Å; F284-I324 HydrophobicContact CZ-CD1 4.22Å; L289-I324 HydrophobicContact CD2-CG2 4.38Å; V319-I324 HydrophobicContact CG1-CD1 4.07Å; V319-I324 HydrophobicContact CG1-CG1 4.01Å; V319-I324 HydrophobicContact CG1-CG2 4.05Å
325H94Very high94.5Very high94 Ų9446 Ų4644%0.43524%0.241SC..  trans-138.4163.7-170.4-49.880.9000110.8S322 G327 N328S322-H325 PolarHBondContact O-CE1 2.84Å; S322-H325 PolarHBondContact O-NE2 3.07Å; H325-G327 PolarHBondContact O-N 2.76Å; H325-N328 PolarHBondContact N-OD1 3.27Å; H325-N328 VanDerWaalsContact O-CB 3.24Å; H325-N328 WeakPolarHBondContact O-CB 3.35Å; H325-N328 VanDerWaalsContact O-CG 3.29Å; H325-N328 PolarHBondContact O-N 2.95Å
326R93.9Very high94.4Very high103 Ų10348.4 Ų48.439%0.38925%0.253SS..THydrogen-bonded Turntrans-49.8136.5165.8177.4174.3175.2159-8.1110.6T104 L254 Q255 N328T104-R326 PolarHBondContact OG1-NH2 3.17Å; L254-R326 WeakPolarHBondContact O-CA 3.49Å; Q255-R326 WeakPolarHBondContact O-CB 3.29Å; Q255-R326 WeakPolarHBondContact O-CD 3.38Å; Q255-R326 WeakPolarHBondContact O-CG 3.26Å; R326-N328 VanDerWaalsContact C-N 3.31Å
327G94.1Very high94.4Very high5 Ų549.9 Ų49.95%0.05226%0.263CS..THydrogen-bonded Turntrans86.2-7.8-175.600000114.8L254 H325 H368 T369L254-G327 PolarHBondContact O-N 2.88Å; H325-G327 PolarHBondContact O-N 2.76Å; G327-H368 PolarHBondContact O-CE1 2.86Å; G327-T369 VanDerWaalsContact CA-OG1 3.29Å; G327-T369 WeakPolarHBondContact CA-OG1 3.33Å; G327-T369 PolarHBondContact N-OG1 2.96Å
328N97Very high94.7Very high13 Ų1345.5 Ų45.57%0.0725%0.245CC..  trans-73.3156.7166.6-63.4172.6000109.6L254 A285 P286 Q287 H325 R326L254-N328 HydrophobicContact CD1-CB 4.15Å; L254-N328 HydrophobicContact CG-CB 4.43Å; L254-N328 WeakPolarHBondContact CG-O 3.5Å; L254-N328 PolarHBondContact N-O 3.37Å; A285-N328 CarbonylContact O-C 3.57Å; A285-N328 VanDerWaalsContact O-CA 3.25Å; A285-N328 WeakPolarHBondContact O-CA 3.26Å; A285-N328 VanDerWaalsContact O-CB 3.25Å; A285-N328 WeakPolarHBondContact O-CB 3.18Å; P286-N328 WeakPolarHBondContact CD-ND2 3.35Å; Q287-N328 PolarHBondContact NE2-OD1 2.77Å; Q287-N328 VanDerWaalsContact NE2-OD1 3.09Å; Q287-N328 PolarHBondContact OE1-OD1 3.19Å; H325-N328 PolarHBondContact N-OD1 3.27Å; H325-N328 VanDerWaalsContact O-CB 3.24Å; H325-N328 WeakPolarHBondContact O-CB 3.35Å; H325-N328 VanDerWaalsContact O-CG 3.29Å; H325-N328 PolarHBondContact O-N 2.95Å; R326-N328 VanDerWaalsContact C-N 3.31Å
329V97.9Very high95Very high0 Ų044.4 Ų44.40%024%0.235CC..EExtended strand (participates in β ladder)trans-122.9122.7-177.1179.30000108.8R251 I252 F284 A285 P338 C415 L425R251-V329 HydrophobicContact CB-CG1 4.46Å; I252-V329 WeakPolarHBondContact O-CA 3.25Å; F284-V329 WeakPolarHBondContact CA-O 3.37Å; A285-V329 PolarHBondContact N-O 2.9Å; A285-V329 PolarHBondContact O-N 3.41Å; V329-P338 HydrophobicContact CB-CB 4.36Å; V329-P338 HydrophobicContact CG1-CB 4.01Å; V329-P338 HydrophobicContact CG1-CG 4.19Å; V329-P338 WeakPolarHBondContact O-CG 3.25Å; V329-C415 HydrophobicContact CB-CB 4.12Å; V329-C415 HydrophobicContact CG2-CB 3.83Å; V329-L425 HydrophobicContact CG1-CD2 3.77Å; V329-L425 HydrophobicContact CG2-CD2 4.08Å
330A98Very high95.1Very high0 Ų045.7 Ų45.70%024%0.24CC..EExtended strand (participates in β ladder)trans-88.8142170.800000110.4R251 I252 T283 F284 F314R251-A330 CarbonylContact C-O 3.57Å; R251-A330 WeakPolarHBondContact CA-O 3.48Å; I252-A330 HydrophobicContact CB-CB 4.27Å; I252-A330 PolarHBondContact N-O 2.85Å; I252-A330 PolarHBondContact O-N 2.74Å; T283-A330 WeakPolarHBondContact O-CA 3.28Å; F284-A330 HydrophobicContact CD1-CB 3.73Å; F284-A330 HydrophobicContact CE1-CB 3.6Å; F284-A330 HydrophobicContact CZ-CB 4.44Å; F314-A330 HydrophobicContact CZ-CB 4.03Å
331G97.9Very high95.3Very high0 Ų043.7 Ų43.70%022%0.224CC..EExtended strand (participates in β ladder)trans-152.8169.9169.600000111.7L250 V282 T283 S333L250-G331 WeakPolarHBondContact O-CA 3.44Å; V282-G331 CarbonylContact C-O 3.48Å; V282-G331 WeakPolarHBondContact CA-O 3.49Å; T283-G331 PolarHBondContact N-O 3.16Å; T283-G331 PolarHBondContact O-N 3.38Å; G331-S333 PolarHBondContact O-N 2.91Å
332D96.3Very high95.5Very high30 Ų3046.8 Ų46.816%0.1624%0.236CC..EExtended strand (participates in β ladder)trans-67.9124.5-178.6-174.7-12.1000109.9L250 M280 K334 N335L250-D332 HydrophobicContact CB-CB 4.2Å; M280-D332 HydrophobicContact CE-CB 3.78Å; M280-D332 WeakPolarHBondContact CE-OD2 3.26Å; D332-K334 PolarHBondContact O-N 3.42Å; D332-K334 VanDerWaalsContact O-N 3.1Å; D332-K334 WeakPolarHBondContact OD1-CB 3.43Å; D332-K334 PolarHBondContact OD1-N 3.24Å; D332-N335 HydrophobicContact CB-CB 4.35Å; D332-N335 PolarHBondContact O-N 2.95Å
333S94.6Very high95.7Very high31 Ų3143.5 Ų43.522%0.21721%0.213CC..THydrogen-bonded Turntrans-60.2-20.3177.7-59.20000113.2V281 T283 G331V281-S333 WeakPolarHBondContact CG1-OG 3.49Å; V281-S333 WeakPolarHBondContact O-CB 3.33Å; V281-S333 PolarHBondContact O-N 3.38Å; V281-S333 PolarHBondContact O-OG 3.48Å; T283-S333 PolarHBondContact N-OG 3.46Å; T283-S333 WeakPolarHBondContact OG1-CA 3.36Å; T283-S333 WeakPolarHBondContact OG1-CB 3.23Å; T283-S333 PolarHBondContact OG1-OG 2.98Å; G331-S333 PolarHBondContact O-N 2.91Å
334K93.2Very high95.9Very high118 Ų11839.7 Ų39.751%0.51319%0.194SC..THydrogen-bonded Turntrans-100.7-11.6-175-61.7-174177.7-171.90114.5D332D332-K334 PolarHBondContact O-N 3.42Å; D332-K334 VanDerWaalsContact O-N 3.1Å; D332-K334 WeakPolarHBondContact OD1-CB 3.43Å; D332-K334 PolarHBondContact OD1-N 3.24Å
335N93.3Very high96.1Very high82 Ų8241.8 Ų41.844%0.43921%0.205SC..SBendtrans-138.597.8-174.9-173.217.1000109.3P249 D332P249-N335 WeakPolarHBondContact CB-O 3.4Å; D332-N335 HydrophobicContact CB-CB 4.35Å; D332-N335 PolarHBondContact O-N 2.95Å
336D94.3Very high96.2Very high65 Ų6537.3 Ų37.335%0.34818%0.184SC..SBendtrans42.269.3-176.7-17840.7000113.3P249 R251 Y422P249-D336 HydrophobicContact CB-CB 4.08Å; P249-D336 HydrophobicContact CG-CB 3.94Å; R251-D336 VanDerWaalsContact CZ-O 3.26Å; R251-D336 IonicContact CZ-OD2 3.91Å; R251-D336 PolarHBondContact NH1-O 3.4Å; R251-D336 PolarHBondContact NH2-O 3.47Å; R251-D336 IonicContact NH2-OD1 3.59Å; R251-D336 IonicContact NH2-OD2 3.94Å; R251-D336 PolarHBondContact NH2-OD2 3.39Å; D336-Y422 PolarHBondContact OD2-OH 2.8Å
337P95.6Very high96.1Very high37 Ų3734.6 Ų34.624%0.2418%0.176CC..  trans-61.6141.1179.224.7-33.4000111.2T283T283-P337 HydrophobicContact CG2-CB 4.41Å
338P97Very high96.1Very high3 Ų334.4 Ų34.42%0.01917%0.174CC..  trans-63151.2176.728.8-35.6000110.4A285 V329A285-P338 HydrophobicContact CB-CB 3.79Å; A285-P338 HydrophobicContact CB-CG 4Å; A285-P338 WeakPolarHBondContact CB-O 3.46Å; V329-P338 HydrophobicContact CB-CB 4.36Å; V329-P338 HydrophobicContact CG1-CB 4.01Å; V329-P338 HydrophobicContact CG1-CG 4.19Å; V329-P338 WeakPolarHBondContact O-CG 3.25Å
339K96.4Very high95.6Very high82 Ų8236 Ų3636%0.35718%0.182SC..  trans-136.9160.4-177-60.1-175.2-178178.10111.7C415 K447K339-C415 PolarHBondContact O-SG 3.01Å; K339-K447 HydrophobicContact CB-CB 4.19Å; K339-K447 HydrophobicContact CB-CD 4.12Å; K339-K447 HydrophobicContact CB-CG 4.32Å; K339-K447 HydrophobicContact CD-CB 4.23Å; K339-K447 HydrophobicContact CD-CD 4.24Å; K339-K447 HydrophobicContact CG-CD 4.46Å
340E96.8Very high95.2Very high33 Ų3336 Ų3615%0.15418%0.182CC..  trans-61.8134.7169.9-173.3-178.6168.500110.5P286 P413 K447 K448P286-E340 HydrophobicContact CB-CB 3.67Å; P286-E340 HydrophobicContact CB-CG 3.79Å; E340-P413 HydrophobicContact CG-CB 4.25Å; E340-K447 WeakPolarHBondContact O-CA 3.28Å; E340-K448 HydrophobicContact CB-CB 4.21Å; E340-K448 HydrophobicContact CG-CD 4.35Å; E340-K448 PolarHBondContact O-N 3.24Å; E340-K448 IonicContact OE1-NZ 3.79Å; E340-K448 PolarHBondContact OE1-NZ 2.84Å; E340-K448 WeakPolarHBondContact OE2-CD 2.96Å; E340-K448 IonicContact OE2-NZ 3.86Å; E340-K448 PolarHBondContact OE2-NZ 3.4Å
341A97Very high94.5Very high1 Ų137 Ų371%0.00819%0.187CC..EExtended strand (participates in β ladder)trans-87.5119.4169.400000109.4P410 L414 L416 V445A341-P410 WeakPolarHBondContact O-CG 3.36Å; A341-L414 PolarHBondContact N-O 3.26Å; A341-L416 HydrophobicContact CB-CD2 3.86Å; A341-L416 HydrophobicContact CB-CG 3.87Å; A341-V445 HydrophobicContact CB-CG1 3.58Å
342E96.4Very high93.5Very high112 Ų11240.7 Ų40.752%0.52321%0.207SC..EExtended strand (participates in β ladder)trans-75.7-43.2172179176.3-167.300110.7P410 T446 K448E342-P410 WeakPolarHBondContact O-CD 3.45Å; E342-T446 HydrophobicContact CB-CG2 4.42Å; E342-T446 PolarHBondContact N-O 2.96Å; E342-K448 HydrophobicContact CB-CB 4.48Å
343S97.6Very high93Very high21 Ų2140.2 Ų40.215%0.14720%0.203CC..EExtended strand (participates in β ladder)trans-156.2164.617459.10000109.8L408 T446S343-L408 VanDerWaalsContact CA-O 3.32Å; S343-L408 WeakPolarHBondContact CA-O 3.2Å; S343-T446 PolarHBondContact O-N 3.3Å; S343-T446 WeakPolarHBondContact OG-CB 3.46Å; S343-T446 PolarHBondContact OG-OG1 3.29Å
344F98.2Very high92.4Very high2 Ų244 Ų441%0.00923%0.227CC..EExtended strand (participates in β ladder)trans-152144178.259.1-79.7000111.6A346 L365 L408 L414 L416 F428 V442 S444 V445F344-A346 HydrophobicContact CD2-CB 4.27Å; F344-A346 HydrophobicContact CE2-CB 4.41Å; F344-L365 HydrophobicContact CE2-CD2 4.14Å; F344-L365 HydrophobicContact CZ-CD2 3.71Å; F344-L408 HydrophobicContact CD1-CB 4.17Å; F344-L408 HydrophobicContact CD2-CB 4.13Å; F344-L408 HydrophobicContact CD2-CD1 4.17Å; F344-L408 HydrophobicContact CE1-CB 3.71Å; F344-L408 HydrophobicContact CE2-CB 3.66Å; F344-L408 HydrophobicContact CE2-CD1 3.75Å; F344-L408 HydrophobicContact CE2-CD2 4.38Å; F344-L408 HydrophobicContact CE2-CG 4.14Å; F344-L408 HydrophobicContact CG-CB 4.38Å; F344-L408 HydrophobicContact CZ-CB 3.44Å; F344-L408 VanDerWaalsContact CZ-CB 3.44Å; F344-L408 HydrophobicContact CZ-CD1 4.32Å; F344-L408 HydrophobicContact CZ-CD2 4.24Å; F344-L408 HydrophobicContact CZ-CG 4.21Å; F344-L408 PolarHBondContact N-O 3.44Å; F344-L408 PolarHBondContact O-N 2.84Å; F344-L414 HydrophobicContact CE1-CD2 4.44Å; F344-L416 HydrophobicContact CB-CD1 3.86Å; F344-L416 HydrophobicContact CD1-CD1 4.29Å; F344-L416 HydrophobicContact CD1-CD2 3.48Å; F344-L416 VanDerWaalsContact CD1-CD2 3.48Å; F344-L416 HydrophobicContact CD2-CD1 4.16Å; F344-L416 HydrophobicContact CD2-CD2 4.28Å; F344-L416 HydrophobicContact CE1-CD2 3.53Å; F344-L416 HydrophobicContact CE2-CD2 4.31Å; F344-L416 HydrophobicContact CG-CD1 3.87Å; F344-L416 HydrophobicContact CG-CD2 3.87Å; F344-L416 HydrophobicContact CZ-CD2 3.95Å; F344-F428 HydrophobicContact CE2-CE1 4.15Å; F344-F428 HydrophobicContact CE2-CZ 4.37Å; F344-V442 HydrophobicContact CB-CG1 4.29Å; F344-V442 HydrophobicContact CD2-CG1 4.41Å; F344-V442 HydrophobicContact CD2-CG2 4.2Å; F344-S444 CarbonylContact C-O 3.54Å; F344-S444 VanDerWaalsContact CA-O 3.27Å; F344-S444 WeakPolarHBondContact CA-O 3.29Å; F344-S444 VanDerWaalsContact CB-O 3.3Å; F344-S444 WeakPolarHBondContact CB-O 3.09Å; F344-V445 HydrophobicContact CB-CG1 4.49Å; F344-V445 HydrophobicContact CB-CG2 4.31Å
345M97.9Very high92.3Very high46 Ų4640.1 Ų40.123%0.22722%0.221CC..EExtended strand (participates in β ladder)trans-89.5133.8169.9-69.2-61-6100109.3T380 N405 I406 L407 K443 S444M345-T380 HydrophobicContact CE-CG2 3.73Å; M345-T380 WeakPolarHBondContact CE-OG1 3.37Å; M345-T380 HydrophobicContact SD-CG2 4.48Å; M345-N405 HydrophobicContact CE-CB 4.36Å; M345-I406 WeakPolarHBondContact CA-O 3.17Å; M345-L407 HydrophobicContact CG-CD1 4.35Å; M345-L407 VanDerWaalsContact SD-CA 3.5Å; M345-L407 HydrophobicContact SD-CB 3.53Å; M345-L407 VanDerWaalsContact SD-CB 3.53Å; M345-L407 HydrophobicContact SD-CD1 3.64Å; M345-L407 HydrophobicContact SD-CG 4.16Å; M345-K443 PolarHBondContact O-N 2.72Å; M345-S444 WeakPolarHBondContact CB-OG 3.31Å; M345-S444 PolarHBondContact N-O 2.79Å; M345-S444 PolarHBondContact O-N 3.26Å
346A96.8Very high92.3Very high0 Ų041.3 Ų41.30%022%0.224CC..EExtended strand (participates in β ladder)trans-136.6147.2175.600000112.3F344 V348 N405 I406 L408 F428 V441F344-A346 HydrophobicContact CD2-CB 4.27Å; F344-A346 HydrophobicContact CE2-CB 4.41Å; A346-V348 HydrophobicContact CB-CG2 4.37Å; A346-N405 CarbonylContact O-C 3.49Å; A346-N405 WeakPolarHBondContact O-CA 3.45Å; A346-I406 PolarHBondContact N-O 3.47Å; A346-I406 PolarHBondContact O-N 2.64Å; A346-L408 HydrophobicContact CB-CD1 3.71Å; A346-F428 HydrophobicContact CB-CE1 3.48Å; A346-F428 VanDerWaalsContact CB-CE1 3.48Å; A346-F428 HydrophobicContact CB-CZ 3.41Å; A346-F428 VanDerWaalsContact CB-CZ 3.41Å; A346-V441 CarbonylContact C-O 3.53Å; A346-V441 VanDerWaalsContact CA-O 3.22Å; A346-V441 WeakPolarHBondContact CA-O 3.18Å; A346-V441 WeakPolarHBondContact CB-O 3.28Å
347Q92.4Very high92.4Very high46 Ų4638.3 Ų38.322%0.21521%0.207CC..EExtended strand (participates in β ladder)trans-88.7121.8165.7-177.3172.90.800108.5L383 A404 N405 G440 V441Q347-L383 HydrophobicContact CG-CD1 3.9Å; Q347-A404 CarbonylContact C-O 3.5Å; Q347-A404 WeakPolarHBondContact CA-O 3.49Å; Q347-N405 WeakPolarHBondContact CB-OD1 3.46Å; Q347-G440 CarbonylContact O-C 3.59Å; Q347-G440 WeakPolarHBondContact O-CA 3.49Å; Q347-V441 HydrophobicContact CB-CG2 4.05Å; Q347-V441 PolarHBondContact N-O 2.76Å; Q347-V441 PolarHBondContact O-N 2.94Å
348V92.6Very high92.4Very high0 Ų042 Ų420%022%0.22CC..EExtended strand (participates in β ladder)trans-117.7140.6-176.7177.40000109.7A346 A403 A404 I406 F428 A438 V439A346-V348 HydrophobicContact CB-CG2 4.37Å; V348-A403 CarbonylContact O-C 3.58Å; V348-A403 VanDerWaalsContact O-CA 3.25Å; V348-A403 WeakPolarHBondContact O-CA 3.45Å; V348-A404 PolarHBondContact N-O 3.27Å; V348-A404 PolarHBondContact O-N 3Å; V348-I406 HydrophobicContact CB-CD1 3.8Å; V348-I406 HydrophobicContact CB-CG1 4.45Å; V348-I406 HydrophobicContact CG1-CD1 4.3Å; V348-I406 HydrophobicContact CG2-CD1 3.93Å; V348-I406 HydrophobicContact CG2-CG1 4.4Å; V348-F428 HydrophobicContact CG2-CE2 4.13Å; V348-F428 HydrophobicContact CG2-CZ 3.91Å; V348-A438 HydrophobicContact CG1-CB 3.34Å; V348-V439 CarbonylContact C-O 3.53Å; V348-V439 VanDerWaalsContact CA-O 3.29Å; V348-V439 WeakPolarHBondContact CA-O 3.34Å
349I88Confident92.4Very high46 Ų4646 Ų4624%0.23624%0.241CC..EExtended strand (participates in β ladder)trans-113.2117.3170-60174.2000107.4A403 A438 V439I349-A403 HydrophobicContact CG1-CB 4.09Å; I349-A438 CarbonylContact O-C 3.58Å; I349-A438 WeakPolarHBondContact O-CA 3.34Å; I349-A438 WeakPolarHBondContact O-CB 3.18Å; I349-V439 HydrophobicContact CB-CG2 4.18Å; I349-V439 PolarHBondContact N-O 3.38Å; I349-V439 PolarHBondContact O-N 3.02Å
350V89.8Confident92.4Very high1 Ų143.6 Ų43.61%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-79.5134.6-179.9-173.50000109.6H353 I357 I398 K399 G401 D402 V437V350-H353 HydrophobicContact CG1-CB 3.79Å; V350-I357 HydrophobicContact CG1-CD1 3.8Å; V350-I357 HydrophobicContact CG2-CD1 4.03Å; V350-I398 HydrophobicContact CG2-CB 4.35Å; V350-I398 HydrophobicContact CG2-CD1 3.55Å; V350-I398 HydrophobicContact CG2-CG1 3.83Å; V350-K399 WeakPolarHBondContact CB-O 3.42Å; V350-G401 WeakPolarHBondContact O-CA 3.33Å; V350-G401 PolarHBondContact O-N 2.79Å; V350-D402 PolarHBondContact N-O 2.71Å; V350-V437 WeakPolarHBondContact CG1-O 3.3Å
351M81.8Confident92.3Very high22 Ų2244 Ų4411%0.10824%0.24CC..  trans-149.1140178.659.4-146.3-38.700112.2L138 H353 N400 V437 V439L138-M351 HydrophobicContact CD1-CE 3.46Å; L138-M351 VanDerWaalsContact CD1-CE 3.46Å; L138-M351 HydrophobicContact CD1-SD 3.77Å; L138-M351 HydrophobicContact CD2-CE 3.28Å; L138-M351 HydrophobicContact CD2-CG 4.11Å; L138-M351 HydrophobicContact CD2-SD 3.26Å; L138-M351 WeakPolarHBondContact CD2-SD 3.44Å; L138-M351 HydrophobicContact CG-CE 3.92Å; L138-M351 HydrophobicContact CG-SD 4Å; M351-H353 PolarHBondContact O-N 3.28Å; M351-N400 VanDerWaalsContact CA-OD1 3.24Å; M351-N400 WeakPolarHBondContact CA-OD1 3.27Å; M351-V437 CarbonylContact C-O 3.55Å; M351-V437 PolarHBondContact N-O 3.37Å; M351-V437 CarbonylContact O-C 3.2Å; M351-V437 WeakPolarHBondContact O-CA 3.36Å; M351-V439 HydrophobicContact SD-CB 4.44Å; M351-V439 HydrophobicContact SD-CG1 3.95Å; M351-V439 HydrophobicContact SD-CG2 3.8Å
352N76.8Confident92.2Very high77 Ų7746.6 Ų46.641%0.41226%0.258SS..SBendtrans59.89.9178.3-53.1-34.8000115.5N400N352-N400 PolarHBondContact N-OD1 3.34Å
353H85.8Confident92.2Very high20 Ų2041.4 Ų41.49%0.09323%0.234CC..  trans-72.6128.9172.7-169.3-89.8000110.4V350 M351 G355 I357 Y361 V437V350-H353 HydrophobicContact CG1-CB 3.79Å; M351-H353 PolarHBondContact O-N 3.28Å; H353-G355 PolarHBondContact ND1-N 3.14Å; H353-G355 VanDerWaalsContact ND1-N 3.16Å; H353-G355 PolarHBondContact ND1-O 2.9Å; H353-I357 HydrophobicContact CB-CD1 4.49Å; H353-Y361 AromaticContact NE2-CZ 3.96Å; H353-V437 HydrophobicContact CB-CB 4.2Å; H353-V437 HydrophobicContact CB-CG1 4.44Å
354P82.4Confident92Very high110 Ų11042.5 Ų42.571%0.71424%0.24SC*.SBendtrans-77.3-19.9-173.629.6-35.3000114.1
355G90.9Very high91.8Very high37 Ų3742.6 Ų42.638%0.38124%0.241SC..SBendtrans-126.8-146.5-18000000112.7H353H353-G355 PolarHBondContact ND1-N 3.14Å; H353-G355 VanDerWaalsContact ND1-N 3.16Å; H353-G355 PolarHBondContact ND1-O 2.9Å
356E93.7Very high91.5Very high107 Ų10740.6 Ų40.650%0.523%0.231SC..  trans-104.3142.6176-62.9178.6172.500110.9K358 C397E356-K358 WeakPolarHBondContact OE2-CE 3.32Å; E356-K358 IonicContact OE2-NZ 3.99Å; E356-C397 HydrophobicContact CB-CB 4.03Å; E356-C397 VanDerWaalsContact CD-SG 3.5Å; E356-C397 PolarHBondContact OE2-SG 3.28Å; E356-C397 VanDerWaalsContact OE2-SG 3.34Å
357I95.4Very high91.2Very high1 Ų140.8 Ų40.81%0.00523%0.232CC..BIsolated β-bridgetrans-97.2127.7170-64.3171.2000107.8V350 H353 Y361 F376 C397 I398V350-I357 HydrophobicContact CG1-CD1 3.8Å; V350-I357 HydrophobicContact CG2-CD1 4.03Å; H353-I357 HydrophobicContact CB-CD1 4.49Å; I357-Y361 HydrophobicContact CB-CD1 4.32Å; I357-Y361 HydrophobicContact CD1-CD1 4.31Å; I357-Y361 HydrophobicContact CD1-CE1 4.01Å; I357-Y361 HydrophobicContact CG1-CD1 4.03Å; I357-Y361 HydrophobicContact CG1-CE1 3.96Å; I357-Y361 HydrophobicContact CG2-CD1 3.52Å; I357-Y361 HydrophobicContact CG2-CE1 4.29Å; I357-Y361 HydrophobicContact CG2-CG 3.99Å; I357-F376 HydrophobicContact CG2-CD1 3.72Å; I357-F376 HydrophobicContact CG2-CE1 3.98Å; I357-C397 CarbonylContact O-C 3.57Å; I357-C397 WeakPolarHBondContact O-CA 3.08Å; I357-C397 WeakPolarHBondContact O-CB 3.01Å; I357-I398 HydrophobicContact CB-CD1 4.37Å; I357-I398 HydrophobicContact CB-CG1 3.73Å; I357-I398 HydrophobicContact CG2-CD1 4.25Å; I357-I398 HydrophobicContact CG2-CG1 4.05Å; I357-I398 PolarHBondContact N-O 3.5Å; I357-I398 PolarHBondContact O-N 2.62Å
358K96.4Very high91.1Very high116 Ų11638.9 Ų38.950%0.50422%0.223SC..  trans-122.6163.6-179.2-64.1-179.1-178.6178.40110.3E356 G360 Y361 C397E356-K358 WeakPolarHBondContact OE2-CE 3.32Å; E356-K358 IonicContact OE2-NZ 3.99Å; K358-G360 PolarHBondContact O-N 3.1Å; K358-Y361 VanDerWaalsContact O-CB 3.25Å; K358-Y361 WeakPolarHBondContact O-CB 3.27Å; K358-Y361 PolarHBondContact O-N 3.22Å; K358-Y361 VanDerWaalsContact O-N 3.08Å; K358-C397 HydrophobicContact CG-CB 3.76Å
359N96.6Very high91Very high85 Ų8539.3 Ų39.346%0.45523%0.226SC..THydrogen-bonded Turntrans-52.4133.9170.5-67.2-7.6000110I379N359-I379 WeakPolarHBondContact OD1-CG1 3.06Å; N359-I379 PolarHBondContact OD1-N 2.82Å
360G96Very high91.2Very high33 Ų3337.3 Ų37.334%0.3422%0.216SC..THydrogen-bonded Turntrans96.3-13.2-174.300000115.3K358 S362 F376K358-G360 PolarHBondContact O-N 3.1Å; G360-S362 PolarHBondContact O-N 2.88Å; G360-S362 PolarHBondContact O-OG 2.99Å; G360-F376 PolarHBondContact N-O 3.27Å
361Y95.8Very high91.3Very high41 Ų4142 Ų4216%0.16124%0.238CC..  trans-55.5129.5173.5-178.3-124.1000110.8H353 I357 K358 P363 F376 D432H353-Y361 AromaticContact NE2-CZ 3.96Å; I357-Y361 HydrophobicContact CB-CD1 4.32Å; I357-Y361 HydrophobicContact CD1-CD1 4.31Å; I357-Y361 HydrophobicContact CD1-CE1 4.01Å; I357-Y361 HydrophobicContact CG1-CD1 4.03Å; I357-Y361 HydrophobicContact CG1-CE1 3.96Å; I357-Y361 HydrophobicContact CG2-CD1 3.52Å; I357-Y361 HydrophobicContact CG2-CE1 4.29Å; I357-Y361 HydrophobicContact CG2-CG 3.99Å; K358-Y361 VanDerWaalsContact O-CB 3.25Å; K358-Y361 WeakPolarHBondContact O-CB 3.27Å; K358-Y361 PolarHBondContact O-N 3.22Å; K358-Y361 VanDerWaalsContact O-N 3.08Å; Y361-P363 VanDerWaalsContact C-CD 3.42Å; Y361-P363 HydrophobicContact CD1-CB 4.34Å; Y361-P363 VanDerWaalsContact CD1-CD 3.44Å; Y361-P363 HydrophobicContact CD1-CG 3.71Å; Y361-P363 HydrophobicContact CE1-CB 3.65Å; Y361-P363 HydrophobicContact CE1-CG 3.42Å; Y361-P363 VanDerWaalsContact CE1-CG 3.42Å; Y361-P363 WeakPolarHBondContact O-CD 3.45Å; Y361-F376 HydrophobicContact CD1-CD1 4.28Å; Y361-F376 HydrophobicContact CD1-CD2 4.25Å; Y361-F376 HydrophobicContact CD1-CE1 4.34Å; Y361-F376 HydrophobicContact CD1-CE2 4.33Å; Y361-F376 HydrophobicContact CD1-CG 4.26Å; Y361-F376 HydrophobicContact CD1-CZ 4.38Å; Y361-F376 WeakPolarHBondContact O-CB 3.43Å; Y361-F376 WeakPolarHBondContact O-CD2 3.29Å; Y361-F376 PolarHBondContact O-N 3.16Å; Y361-D432 WeakPolarHBondContact CE2-OD2 3.33Å; Y361-D432 WeakPolarHBondContact OH-CB 3.43Å; Y361-D432 PolarHBondContact OH-OD2 3.49Å
362S95.8Very high91.9Very high55 Ų5542.2 Ų42.239%0.38524%0.239SC..  trans-127.664.3-170.6-62.70000112.7G360 C374G360-S362 PolarHBondContact O-N 2.88Å; G360-S362 PolarHBondContact O-OG 2.99Å; S362-C374 WeakPolarHBondContact CA-O 3.29Å
363P94.9Very high92.8Very high4 Ų440.1 Ų40.13%0.02623%0.233CC..PPolyproline II helixtrans-74.8172.8178.434.9-38.1000111.5Y361 L365 A373 C374 F376 V430 R431 D432Y361-P363 VanDerWaalsContact C-CD 3.42Å; Y361-P363 HydrophobicContact CD1-CB 4.34Å; Y361-P363 VanDerWaalsContact CD1-CD 3.44Å; Y361-P363 HydrophobicContact CD1-CG 3.71Å; Y361-P363 HydrophobicContact CE1-CB 3.65Å; Y361-P363 HydrophobicContact CE1-CG 3.42Å; Y361-P363 VanDerWaalsContact CE1-CG 3.42Å; Y361-P363 WeakPolarHBondContact O-CD 3.45Å; P363-L365 HydrophobicContact CG-CD1 4.27Å; P363-A373 WeakPolarHBondContact O-CA 3.41Å; P363-C374 WeakPolarHBondContact CD-O 3.48Å; P363-C374 PolarHBondContact O-N 3.16Å; P363-F376 HydrophobicContact CG-CD2 3.88Å; P363-F376 HydrophobicContact CG-CE2 3.29Å; P363-F376 HydrophobicContact CG-CZ 3.99Å; P363-V430 HydrophobicContact CB-CG1 3.55Å; P363-V430 HydrophobicContact CG-CG1 3.27Å; P363-R431 WeakPolarHBondContact CB-O 3.18Å; P363-D432 HydrophobicContact CB-CB 4.48Å
364V94.9Very high93.4Very high43 Ų4339.2 Ų39.226%0.26123%0.228SC..EExtended strand (participates in β ladder)trans-85.8133.7171.8-174.50000110.6H371 R431V364-H371 WeakPolarHBondContact CG1-CE1 2.96Å; V364-H371 WeakPolarHBondContact CG1-ND1 3.44Å; V364-H371 WeakPolarHBondContact CG1-NE2 3.48Å; V364-R431 PolarHBondContact N-O 3.21Å; V364-R431 PolarHBondContact O-N 2.91Å
365L93.7Very high94.1Very high5 Ų538.4 Ų38.43%0.02621%0.213CC..EExtended strand (participates in β ladder)trans-101.4127.2170.4-88.462.8000109.9F344 P363 H371 I372 C374 F376 L408 F428 A429 V430F344-L365 HydrophobicContact CE2-CD2 4.14Å; F344-L365 HydrophobicContact CZ-CD2 3.71Å; P363-L365 HydrophobicContact CG-CD1 4.27Å; L365-H371 WeakPolarHBondContact O-CA 3.41Å; L365-I372 PolarHBondContact N-O 2.94Å; L365-I372 PolarHBondContact O-N 2.83Å; L365-C374 HydrophobicContact CD1-CB 3.92Å; L365-C374 HydrophobicContact CD2-CB 4.01Å; L365-C374 HydrophobicContact CG-CB 4.43Å; L365-F376 HydrophobicContact CD1-CE2 4.35Å; L365-L408 HydrophobicContact CD1-CD2 4.28Å; L365-L408 HydrophobicContact CD2-CD2 3.82Å; L365-F428 HydrophobicContact CD2-CD2 3.58Å; L365-F428 HydrophobicContact CD2-CE2 3.69Å; L365-F428 HydrophobicContact CD2-CG 4.09Å; L365-F428 HydrophobicContact CD2-CZ 4.27Å; L365-F428 HydrophobicContact CG-CD2 3.72Å; L365-F428 HydrophobicContact CG-CE2 4.1Å; L365-F428 HydrophobicContact CG-CG 4.43Å; L365-A429 WeakPolarHBondContact CA-O 3.35Å; L365-V430 HydrophobicContact CD1-CB 4.49Å; L365-V430 HydrophobicContact CD1-CG1 4.16Å; L365-V430 HydrophobicContact CD1-CG2 4.05Å; L365-V430 HydrophobicContact CG-CG2 4.25Å
366D90.6Very high94.4Very high4 Ų436.6 Ų36.62%0.02120%0.195CC..EExtended strand (participates in β ladder)trans-96.9110.5164.9-72.9-68.4000108.4I103 A370 H371 F428 A429 R431I103-D366 HydrophobicContact CD1-CB 3.69Å; I103-D366 WeakPolarHBondContact CD1-OD2 3.27Å; I103-D366 HydrophobicContact CG2-CB 3.84Å; D366-A370 WeakPolarHBondContact CA-O 3.32Å; D366-H371 IonicContact OD1-CE1 3.5Å; D366-H371 IonicContact OD1-CG 2.7Å; D366-H371 IonicContact OD1-ND1 2.84Å; D366-H371 PolarHBondContact OD1-ND1 2.79Å; D366-H371 IonicContact OD2-CE1 2.75Å; D366-H371 IonicContact OD2-ND1 2.66Å; D366-F428 CarbonylContact O-C 3.54Å; D366-F428 WeakPolarHBondContact O-CA 3.32Å; D366-F428 VanDerWaalsContact O-CB 3.29Å; D366-F428 WeakPolarHBondContact O-CB 3.44Å; D366-A429 HydrophobicContact CB-CB 4.49Å; D366-A429 PolarHBondContact N-O 3.37Å; D366-A429 PolarHBondContact O-N 3.17Å; D366-R431 WeakPolarHBondContact OD2-CD 3.43Å
367C90.7Very high94.6Very high4 Ų433.7 Ų33.73%0.02719%0.186CC..EExtended strand (participates in β ladder)trans-129.3125.2177.8-1730000107.5T369 A370 L425 F428C367-T369 PolarHBondContact O-N 3.48Å; C367-T369 VanDerWaalsContact O-N 3.1Å; C367-A370 PolarHBondContact N-O 2.7Å; C367-A370 WeakPolarHBondContact O-CA 3.29Å; C367-A370 WeakPolarHBondContact O-CB 3.24Å; C367-A370 PolarHBondContact O-N 2.89Å; C367-L425 PolarHBondContact SG-O 3.16Å; C367-L425 VanDerWaalsContact SG-O 3.41Å; C367-F428 HydrophobicContact CB-CB 3.84Å
368H89.6Confident94.7Very high6 Ų637.6 Ų37.63%0.02821%0.205CC..THydrogen-bonded Turntrans47.8-111.5-171.655.881.2000112.8P253 G327 A370 C415P253-H368 HydrophobicContact CB-CB 3.98Å; P253-H368 HydrophobicContact CG-CB 3.94Å; G327-H368 PolarHBondContact O-CE1 2.86Å; H368-A370 WeakPolarHBondContact CE1-CB 3.41Å; H368-A370 PolarHBondContact ND1-N 3.08Å; H368-C415 PolarHBondContact NE2-O 2.94Å
369T90.8Very high94.7Very high9 Ų932.1 Ų32.16%0.05518%0.181CC..THydrogen-bonded Turntrans-103.5-4.7174.461.30000113.1P253 L254 Q255 G327 C367P253-T369 HydrophobicContact CB-CG2 3.97Å; L254-T369 VanDerWaalsContact O-CB 3.23Å; L254-T369 WeakPolarHBondContact O-CB 3.41Å; L254-T369 PolarHBondContact O-OG1 2.83Å; Q255-T369 HydrophobicContact CG-CG2 3.8Å; G327-T369 VanDerWaalsContact CA-OG1 3.29Å; G327-T369 WeakPolarHBondContact CA-OG1 3.33Å; G327-T369 PolarHBondContact N-OG1 2.96Å; C367-T369 PolarHBondContact O-N 3.48Å; C367-T369 VanDerWaalsContact O-N 3.1Å
370A93.1Very high94.7Very high3 Ų329.3 Ų29.33%0.02517%0.167CC..EExtended strand (participates in β ladder)trans-82.6144.117800000112.6D366 C367 H368 L414D366-A370 WeakPolarHBondContact CA-O 3.32Å; C367-A370 PolarHBondContact N-O 2.7Å; C367-A370 WeakPolarHBondContact O-CA 3.29Å; C367-A370 WeakPolarHBondContact O-CB 3.24Å; C367-A370 PolarHBondContact O-N 2.89Å; H368-A370 WeakPolarHBondContact CE1-CB 3.41Å; H368-A370 PolarHBondContact ND1-N 3.08Å; A370-L414 HydrophobicContact CB-CD1 3.59Å
371H92.2Very high94.7Very high101 Ų10130.3 Ų30.347%0.46816%0.163SC..EExtended strand (participates in β ladder)trans-133.591.5178.8-17681.5000108.6V364 L365 D366V364-H371 WeakPolarHBondContact CG1-CE1 2.96Å; V364-H371 WeakPolarHBondContact CG1-ND1 3.44Å; V364-H371 WeakPolarHBondContact CG1-NE2 3.48Å; L365-H371 WeakPolarHBondContact O-CA 3.41Å; D366-H371 IonicContact OD1-CE1 3.5Å; D366-H371 IonicContact OD1-CG 2.7Å; D366-H371 IonicContact OD1-ND1 2.84Å; D366-H371 PolarHBondContact OD1-ND1 2.79Å; D366-H371 IonicContact OD2-CE1 2.75Å; D366-H371 IonicContact OD2-ND1 2.66Å
372I94.2Very high94.7Very high25 Ų2530 Ų3013%0.12816%0.162CC..EExtended strand (participates in β ladder)trans-133.1130.6-168.4-61-167.7000111.2L365 C374 P410 K412 P413 L414L365-I372 PolarHBondContact N-O 2.94Å; L365-I372 PolarHBondContact O-N 2.83Å; I372-C374 PolarHBondContact O-N 3.01Å; I372-C374 PolarHBondContact O-SG 3.16Å; I372-P410 HydrophobicContact CG2-CB 4.27Å; I372-K412 HydrophobicContact CD1-CB 4.49Å; I372-K412 HydrophobicContact CG2-CB 4.1Å; I372-P413 VanDerWaalsContact CD1-O 3.26Å; I372-P413 WeakPolarHBondContact CD1-O 3.27Å; I372-L414 HydrophobicContact CD1-CB 3.85Å; I372-L414 HydrophobicContact CD1-CD1 3.74Å; I372-L414 HydrophobicContact CD1-CG 4.29Å; I372-L414 HydrophobicContact CG1-CD1 4.27Å
373A96.3Very high94.3Very high34 Ų3427.8 Ų27.828%0.28115%0.146SC..EExtended strand (participates in β ladder)trans-64.3127.7171.400000110.7P363 N411P363-A373 WeakPolarHBondContact O-CA 3.41Å; A373-N411 HydrophobicContact CB-CB 4.44Å; A373-N411 WeakPolarHBondContact O-CB 3.07Å; A373-N411 PolarHBondContact O-N 2.66Å
374C97.3Very high93.6Very high0 Ų030.6 Ų30.60%016%0.161CC..EExtended strand (participates in β ladder)trans-126.5132.8178-57.50000110S362 P363 L365 I372 L408 V409S362-C374 WeakPolarHBondContact CA-O 3.29Å; P363-C374 WeakPolarHBondContact CD-O 3.48Å; P363-C374 PolarHBondContact O-N 3.16Å; L365-C374 HydrophobicContact CD1-CB 3.92Å; L365-C374 HydrophobicContact CD2-CB 4.01Å; L365-C374 HydrophobicContact CG-CB 4.43Å; I372-C374 PolarHBondContact O-N 3.01Å; I372-C374 PolarHBondContact O-SG 3.16Å; C374-L408 HydrophobicContact CB-CD2 4.13Å; C374-V409 CarbonylContact C-O 3.57Å; C374-V409 WeakPolarHBondContact CA-O 3.19Å
375K97.9Very high92.5Very high93 Ų9334.5 Ų34.540%0.40417%0.171SC..EExtended strand (participates in β ladder)trans-77.6128.2174.6-175-179.4-179.5-174.40109.7S377 L408 V409K375-S377 VanDerWaalsContact C-N 3.28Å; K375-S377 PolarHBondContact O-N 3Å; K375-L408 VanDerWaalsContact O-CA 3.31Å; K375-L408 WeakPolarHBondContact O-CA 3.45Å; K375-V409 PolarHBondContact N-O 2.85Å; K375-V409 PolarHBondContact O-N 2.9Å
376F97.2Very high91.2Very high0 Ų045.8 Ų45.80%021%0.213CC..EExtended strand (participates in β ladder)trans-73.887.3166.1-75.1-137.4000106.1I357 G360 Y361 P363 L365 I406 L408 V430I357-F376 HydrophobicContact CG2-CD1 3.72Å; I357-F376 HydrophobicContact CG2-CE1 3.98Å; G360-F376 PolarHBondContact N-O 3.27Å; Y361-F376 HydrophobicContact CD1-CD1 4.28Å; Y361-F376 HydrophobicContact CD1-CD2 4.25Å; Y361-F376 HydrophobicContact CD1-CE1 4.34Å; Y361-F376 HydrophobicContact CD1-CE2 4.33Å; Y361-F376 HydrophobicContact CD1-CG 4.26Å; Y361-F376 HydrophobicContact CD1-CZ 4.38Å; Y361-F376 WeakPolarHBondContact O-CB 3.43Å; Y361-F376 WeakPolarHBondContact O-CD2 3.29Å; Y361-F376 PolarHBondContact O-N 3.16Å; P363-F376 HydrophobicContact CG-CD2 3.88Å; P363-F376 HydrophobicContact CG-CE2 3.29Å; P363-F376 HydrophobicContact CG-CZ 3.99Å; L365-F376 HydrophobicContact CD1-CE2 4.35Å; F376-I406 HydrophobicContact CB-CG2 4.11Å; F376-I406 HydrophobicContact CD1-CD1 3.62Å; F376-I406 HydrophobicContact CD1-CG2 3.83Å; F376-I406 HydrophobicContact CE1-CD1 3.46Å; F376-I406 VanDerWaalsContact CE1-CD1 3.46Å; F376-I406 HydrophobicContact CE1-CG2 4.47Å; F376-I406 HydrophobicContact CG-CG2 4.07Å; F376-I406 HydrophobicContact CZ-CD1 4.49Å; F376-L408 HydrophobicContact CD2-CD2 3.71Å; F376-L408 HydrophobicContact CE2-CD2 3.56Å; F376-L408 HydrophobicContact CG-CD2 4.48Å; F376-L408 HydrophobicContact CZ-CD2 4.26Å; F376-V430 HydrophobicContact CE2-CG1 4.15Å; F376-V430 HydrophobicContact CZ-CG1 3.93Å; F376-V430 HydrophobicContact CZ-CG2 4.15Å
377S97.3Very high90.4Very high45 Ų4548.9 Ų48.932%0.31524%0.235SC..EExtended strand (participates in β ladder)trans-66.6-48.3-172.1-168.90000110.7K375 L407K375-S377 VanDerWaalsContact C-N 3.28Å; K375-S377 PolarHBondContact O-N 3Å; S377-L407 WeakPolarHBondContact CB-O 3.21Å; S377-L407 PolarHBondContact N-O 3.11Å
378E97.4Very high89.4Confident84 Ų8450.4 Ų50.439%0.39325%0.252SS..EExtended strand (participates in β ladder)trans-149.1124.5-177.1-172.1174.5-172.200110.2T380 I406 L407E378-T380 HydrophobicContact CB-CG2 4.43Å; E378-T380 HydrophobicContact CG-CG2 4.03Å; E378-T380 PolarHBondContact O-N 3.18Å; E378-I406 CarbonylContact O-C 3.51Å; E378-I406 WeakPolarHBondContact O-CA 3.2Å; E378-L407 HydrophobicContact CB-CB 4.2Å; E378-L407 PolarHBondContact N-O 2.63Å; E378-L407 PolarHBondContact O-N 3.27Å
379I97.3Very high89Confident0 Ų057.4 Ų57.40%028%0.282CS..EExtended strand (participates in β ladder)trans-85.1103.4167.4-55163.2000106.8N359 N394 P395 I398 A404 I406N359-I379 WeakPolarHBondContact OD1-CG1 3.06Å; N359-I379 PolarHBondContact OD1-N 2.82Å; I379-N394 WeakPolarHBondContact O-CA 3.24Å; I379-P395 HydrophobicContact CB-CG 4.27Å; I379-P395 HydrophobicContact CG2-CG 3.46Å; I379-P395 VanDerWaalsContact CG2-CG 3.46Å; I379-I398 HydrophobicContact CD1-CD1 4.25Å; I379-I398 HydrophobicContact CD1-CG1 4.09Å; I379-I398 HydrophobicContact CD1-CG2 4.36Å; I379-I398 HydrophobicContact CG2-CG2 3.9Å; I379-A404 HydrophobicContact CG2-CB 3.93Å; I379-I406 HydrophobicContact CG1-CD1 4.5Å; I379-I406 HydrophobicContact CG1-CG1 4.43Å; I379-I406 HydrophobicContact CG1-CG2 4.45Å; I379-I406 HydrophobicContact CG2-CG1 4.35Å
380T96.5Very high89.1Confident27 Ų2761.8 Ų61.817%0.16630%0.3CS..EExtended strand (participates in β ladder)trans-84-36.8-169.661.60000112.3M345 E378 N394 N405M345-T380 HydrophobicContact CE-CG2 3.73Å; M345-T380 WeakPolarHBondContact CE-OG1 3.37Å; M345-T380 HydrophobicContact SD-CG2 4.48Å; E378-T380 HydrophobicContact CB-CG2 4.43Å; E378-T380 HydrophobicContact CG-CG2 4.03Å; E378-T380 PolarHBondContact O-N 3.18Å; T380-N394 PolarHBondContact O-N 2.74Å; T380-N394 PolarHBondContact O-OD1 2.92Å; T380-N405 PolarHBondContact N-O 2.94Å; T380-N405 WeakPolarHBondContact OG1-CB 3.38Å; T380-N405 PolarHBondContact OG1-O 3.17Å; T380-N405 VanDerWaalsContact OG1-O 3.11Å
381E95.7Very high89.1Confident53 Ų5365.8 Ų65.825%0.24832%0.324CS..EExtended strand (participates in β ladder)trans-146.9139.7-176.2-56.6178.7145.500110.4L383 K390 E392 A404 N405E381-L383 HydrophobicContact CB-CD2 4.21Å; E381-K390 HydrophobicContact CB-CD 4.11Å; E381-K390 HydrophobicContact CB-CG 4.3Å; E381-K390 HydrophobicContact CG-CD 3.79Å; E381-K390 WeakPolarHBondContact OE1-CD 3.27Å; E381-K390 IonicContact OE1-NZ 3.36Å; E381-E392 CarbonylContact C-O 3.57Å; E381-E392 WeakPolarHBondContact CA-O 3.31Å; E381-A404 CarbonylContact O-C 3.58Å; E381-A404 WeakPolarHBondContact O-CA 3.46Å; E381-A404 WeakPolarHBondContact O-CB 3.45Å; E381-N405 HydrophobicContact CB-CB 4.23Å; E381-N405 PolarHBondContact N-O 2.75Å; E381-N405 PolarHBondContact O-N 3.35Å; E381-N405 PolarHBondContact OE2-ND2 3.28Å
382K95.1Very high89.2Confident34 Ų3465.3 Ų65.315%0.14832%0.322CS..EExtended strand (participates in β ladder)trans-92.5139162.4-164.3173.2175.8156.50109.4T391 E392 P395 D402K382-T391 PolarHBondContact O-N 3.37Å; K382-T391 PolarHBondContact O-OG1 2.93Å; K382-T391 VanDerWaalsContact O-OG1 3.13Å; K382-E392 HydrophobicContact CB-CB 3.79Å; K382-E392 PolarHBondContact N-O 3.47Å; K382-E392 PolarHBondContact O-N 3.25Å; K382-P395 HydrophobicContact CB-CB 4.4Å; K382-P395 HydrophobicContact CB-CG 4.1Å; K382-D402 WeakPolarHBondContact CE-OD1 3.45Å; K382-D402 VanDerWaalsContact CE-OD2 3.29Å; K382-D402 WeakPolarHBondContact CE-OD2 3.2Å; K382-D402 IonicContact NZ-OD1 3.94Å; K382-D402 PolarHBondContact NZ-OD1 3.05Å; K382-D402 IonicContact NZ-OD2 2.78Å; K382-D402 PolarHBondContact NZ-OD2 2.84Å
383L88.2Confident89.3Confident9 Ų968.4 Ų68.45%0.04734%0.339CS..EExtended strand (participates in β ladder)trans-123.1144.4-175.8-51.9176.8000110.6Q347 E381 R385 K389 K390 A403Q347-L383 HydrophobicContact CG-CD1 3.9Å; E381-L383 HydrophobicContact CB-CD2 4.21Å; L383-R385 PolarHBondContact O-N 2.93Å; L383-K389 CarbonylContact C-O 3.58Å; L383-K389 WeakPolarHBondContact CA-O 3.47Å; L383-K390 HydrophobicContact CD2-CB 4.21Å; L383-A403 HydrophobicContact CB-CB 4.08Å; L383-A403 PolarHBondContact N-O 2.71Å
384D79.7Confident89.2Confident64 Ų6471.4 Ų71.434%0.34235%0.351SS..  trans-67.3124.3163.6172.6-109.5000109.3R386 S387 G388 K389 T391D384-R386 PolarHBondContact O-N 2.94Å; D384-R386 PolarHBondContact OD1-N 3.01Å; D384-S387 WeakPolarHBondContact CB-OG 3.36Å; D384-S387 VanDerWaalsContact OD1-CB 3.29Å; D384-S387 WeakPolarHBondContact OD1-CB 3.46Å; D384-S387 PolarHBondContact OD1-N 2.82Å; D384-S387 PolarHBondContact OD1-OG 2.6Å; D384-G388 VanDerWaalsContact O-CA 3.24Å; D384-G388 WeakPolarHBondContact O-CA 3.22Å; D384-G388 PolarHBondContact O-N 3.48Å; D384-K389 PolarHBondContact N-O 3.27Å; D384-T391 HydrophobicContact CB-CG2 3.91Å
385R71.7Confident89.2Confident125 Ų12571.5 Ų71.547%0.47235%0.351SS..THydrogen-bonded Turntrans-62-28.6-173.5-179.6177.7167.8-171.2-2.3113.4K180 L383 A403K180-R385 PolarHBondContact O-NH2 2.84Å; L383-R385 PolarHBondContact O-N 2.93Å; R385-A403 HydrophobicContact CB-CB 4.37Å
386R66.7Low89Confident242 Ų24276 Ų7691%0.91337%0.371SS*.THydrogen-bonded Turntrans-89.3-47.2-174.5-67.7-176.4-178.5-178.92.6112.4D384D384-R386 PolarHBondContact O-N 2.94Å; D384-R386 PolarHBondContact OD1-N 3.01Å
387S72.7Confident88.9Confident68 Ų6877.7 Ų77.748%0.47638%0.382SS..THydrogen-bonded Turntrans-90.9-18.2-176.4650000113.2D384 K389D384-S387 WeakPolarHBondContact CB-OG 3.36Å; D384-S387 VanDerWaalsContact OD1-CB 3.29Å; D384-S387 WeakPolarHBondContact OD1-CB 3.46Å; D384-S387 PolarHBondContact OD1-N 2.82Å; D384-S387 PolarHBondContact OD1-OG 2.6Å; S387-K389 PolarHBondContact O-N 2.54Å; S387-K389 WeakPolarHBondContact OG-CB 3.45Å; S387-K389 PolarHBondContact OG-N 3.19Å
388G71.4Confident88.8Confident37 Ų3775.6 Ų75.638%0.38137%0.367SS..  trans69.44.7-172.100000113.8D384D384-G388 VanDerWaalsContact O-CA 3.24Å; D384-G388 WeakPolarHBondContact O-CA 3.22Å; D384-G388 PolarHBondContact O-N 3.48Å
389K81Confident88.6Confident152 Ų15277.4 Ų77.466%0.66137%0.374SS*.  trans-71.8141.3179.5-70.1-174.4177.1-175.90110.6L383 D384 S387 T391L383-K389 CarbonylContact C-O 3.58Å; L383-K389 WeakPolarHBondContact CA-O 3.47Å; D384-K389 PolarHBondContact N-O 3.27Å; S387-K389 PolarHBondContact O-N 2.54Å; S387-K389 WeakPolarHBondContact OG-CB 3.45Å; S387-K389 PolarHBondContact OG-N 3.19Å; K389-T391 PolarHBondContact O-N 3.34Å
390K91.7Very high88.2Confident102 Ų10281.7 Ų81.744%0.44340%0.397SS..EExtended strand (participates in β ladder)trans-63132.8173.3-174.7169.172.5172.70111E381 L383 D393E381-K390 HydrophobicContact CB-CD 4.11Å; E381-K390 HydrophobicContact CB-CG 4.3Å; E381-K390 HydrophobicContact CG-CD 3.79Å; E381-K390 WeakPolarHBondContact OE1-CD 3.27Å; E381-K390 IonicContact OE1-NZ 3.36Å; L383-K390 HydrophobicContact CD2-CB 4.21Å; K390-D393 VanDerWaalsContact CD-OD1 3.26Å; K390-D393 WeakPolarHBondContact CD-OD1 3.26Å; K390-D393 WeakPolarHBondContact CE-OD1 3.49Å; K390-D393 WeakPolarHBondContact CE-OD2 3.5Å; K390-D393 VanDerWaalsContact NZ-CG 3.26Å; K390-D393 IonicContact NZ-OD1 3.36Å; K390-D393 PolarHBondContact NZ-OD1 2.87Å; K390-D393 IonicContact NZ-OD2 3.76Å; K390-D393 PolarHBondContact NZ-OD2 3.08Å
391T92.7Very high87.6Confident86 Ų8681.9 Ų81.953%0.52841%0.405SS..EExtended strand (participates in β ladder)trans-113.2-28.7178.257.70000112.7K382 D384 K389K382-T391 PolarHBondContact O-N 3.37Å; K382-T391 PolarHBondContact O-OG1 2.93Å; K382-T391 VanDerWaalsContact O-OG1 3.13Å; D384-T391 HydrophobicContact CB-CG2 3.91Å; K389-T391 PolarHBondContact O-N 3.34Å
392E94.8Very high87.4Confident91 Ų9180.5 Ų80.543%0.42540%0.399SS..EExtended strand (participates in β ladder)trans-153.2138.4-177.2-167.5-179.816400109.6E381 K382 P395E381-E392 CarbonylContact C-O 3.57Å; E381-E392 WeakPolarHBondContact CA-O 3.31Å; K382-E392 HydrophobicContact CB-CB 3.79Å; K382-E392 PolarHBondContact N-O 3.47Å; K382-E392 PolarHBondContact O-N 3.25Å; E392-P395 HydrophobicContact CG-CB 4.29Å; E392-P395 WeakPolarHBondContact OE1-CA 3.2Å
393D96Very high87.1Confident91 Ų9178.9 Ų78.949%0.48739%0.392SS..EExtended strand (participates in β ladder)trans-93134.7171.7-77.6-61.9000109.8K390K390-D393 VanDerWaalsContact CD-OD1 3.26Å; K390-D393 WeakPolarHBondContact CD-OD1 3.26Å; K390-D393 WeakPolarHBondContact CE-OD1 3.49Å; K390-D393 WeakPolarHBondContact CE-OD2 3.5Å; K390-D393 VanDerWaalsContact NZ-CG 3.26Å; K390-D393 IonicContact NZ-OD1 3.36Å; K390-D393 PolarHBondContact NZ-OD1 2.87Å; K390-D393 IonicContact NZ-OD2 3.76Å; K390-D393 PolarHBondContact NZ-OD2 3.08Å
394N95.6Very high87.5Confident97 Ų9778.5 Ų78.552%0.51939%0.39SS..SBendtrans48.155.1177.2-55.4-52.6000114.3I379 T380I379-N394 WeakPolarHBondContact O-CA 3.24Å; T380-N394 PolarHBondContact O-N 2.74Å; T380-N394 PolarHBondContact O-OD1 2.92Å
395P95.7Very high88.2Confident2 Ų276.3 Ų76.31%0.01338%0.378CS..  trans-60.7141.5-178.530.2-39.3000111.3I379 K382 E392 C397 I398I379-P395 HydrophobicContact CB-CG 4.27Å; I379-P395 HydrophobicContact CG2-CG 3.46Å; I379-P395 VanDerWaalsContact CG2-CG 3.46Å; K382-P395 HydrophobicContact CB-CB 4.4Å; K382-P395 HydrophobicContact CB-CG 4.1Å; E392-P395 HydrophobicContact CG-CB 4.29Å; E392-P395 WeakPolarHBondContact OE1-CA 3.2Å; P395-C397 PolarHBondContact O-N 2.96Å; P395-I398 HydrophobicContact CG-CG2 4.26Å
396K94.8Very high89.4Confident188 Ų18870.4 Ų70.482%0.81736%0.356SS*.SBendtrans-63.1-30.9178.5-68.4-176.1179.8178.50112.9
397C95.3Very high90.9Very high35 Ų3560.8 Ų60.824%0.23632%0.322CS..  trans-157.4162.1177.466.90000111.7E356 I357 K358 P395E356-C397 HydrophobicContact CB-CB 4.03Å; E356-C397 VanDerWaalsContact CD-SG 3.5Å; E356-C397 PolarHBondContact OE2-SG 3.28Å; E356-C397 VanDerWaalsContact OE2-SG 3.34Å; I357-C397 CarbonylContact O-C 3.57Å; I357-C397 WeakPolarHBondContact O-CA 3.08Å; I357-C397 WeakPolarHBondContact O-CB 3.01Å; K358-C397 HydrophobicContact CG-CB 3.76Å; P395-C397 PolarHBondContact O-N 2.96Å
398I95.3Very high92.2Very high0 Ų057.5 Ų57.50%030%0.3CS..BIsolated β-bridgetrans-124.4146.6170.360.5-177.7000109.6V350 I357 I379 P395 D402 A404 I406V350-I398 HydrophobicContact CG2-CB 4.35Å; V350-I398 HydrophobicContact CG2-CD1 3.55Å; V350-I398 HydrophobicContact CG2-CG1 3.83Å; I357-I398 HydrophobicContact CB-CD1 4.37Å; I357-I398 HydrophobicContact CB-CG1 3.73Å; I357-I398 HydrophobicContact CG2-CD1 4.25Å; I357-I398 HydrophobicContact CG2-CG1 4.05Å; I357-I398 PolarHBondContact N-O 3.5Å; I357-I398 PolarHBondContact O-N 2.62Å; I379-I398 HydrophobicContact CD1-CD1 4.25Å; I379-I398 HydrophobicContact CD1-CG1 4.09Å; I379-I398 HydrophobicContact CD1-CG2 4.36Å; I379-I398 HydrophobicContact CG2-CG2 3.9Å; P395-I398 HydrophobicContact CG-CG2 4.26Å; I398-D402 HydrophobicContact CB-CB 4.18Å; I398-A404 HydrophobicContact CD1-CB 4.05Å; I398-A404 HydrophobicContact CG2-CB 3.93Å; I398-I406 HydrophobicContact CD1-CD1 3.66Å
399K93.4Very high93.4Very high123 Ų12358.2 Ų58.254%0.53530%0.296SS..  trans-124.4172.4-17761.2178.5176.4-170.80111.7V350 G401 D402V350-K399 WeakPolarHBondContact CB-O 3.42Å; K399-G401 PolarHBondContact O-N 2.87Å; K399-D402 VanDerWaalsContact CG-OD2 3.28Å; K399-D402 WeakPolarHBondContact CG-OD2 3.5Å; K399-D402 PolarHBondContact N-OD2 3.39Å; K399-D402 VanDerWaalsContact O-CB 3.27Å; K399-D402 WeakPolarHBondContact O-CB 3.29Å; K399-D402 PolarHBondContact O-N 3.28Å
400N89Confident94.2Very high89 Ų8951.8 Ų51.848%0.47627%0.27SS..THydrogen-bonded Turntrans-48.2124176.4-175.422.7000112.1M351 N352M351-N400 VanDerWaalsContact CA-OD1 3.24Å; M351-N400 WeakPolarHBondContact CA-OD1 3.27Å; N352-N400 PolarHBondContact N-OD1 3.34Å
401G84.1Confident94.4Very high32 Ų3251.5 Ų51.533%0.3327%0.273SS..THydrogen-bonded Turntrans97.1-16.4-178.600000115.1V350 K399V350-G401 WeakPolarHBondContact O-CA 3.33Å; V350-G401 PolarHBondContact O-N 2.79Å; K399-G401 PolarHBondContact O-N 2.87Å
402D90.2Very high94.5Very high23 Ų2354.6 Ų54.612%0.12328%0.28CS..  trans-72.3147.6177.2-67.8-23.8000111.4V350 K382 I398 K399V350-D402 PolarHBondContact N-O 2.71Å; K382-D402 WeakPolarHBondContact CE-OD1 3.45Å; K382-D402 VanDerWaalsContact CE-OD2 3.29Å; K382-D402 WeakPolarHBondContact CE-OD2 3.2Å; K382-D402 IonicContact NZ-OD1 3.94Å; K382-D402 PolarHBondContact NZ-OD1 3.05Å; K382-D402 IonicContact NZ-OD2 2.78Å; K382-D402 PolarHBondContact NZ-OD2 2.84Å; I398-D402 HydrophobicContact CB-CB 4.18Å; K399-D402 VanDerWaalsContact CG-OD2 3.28Å; K399-D402 WeakPolarHBondContact CG-OD2 3.5Å; K399-D402 PolarHBondContact N-OD2 3.39Å; K399-D402 VanDerWaalsContact O-CB 3.27Å; K399-D402 WeakPolarHBondContact O-CB 3.29Å; K399-D402 PolarHBondContact O-N 3.28Å
403A89.1Confident94.6Very high1 Ų153.6 Ų53.61%0.00828%0.281CS..EExtended strand (participates in β ladder)trans-108.8145.5163.600000109V348 I349 L383 R385V348-A403 CarbonylContact O-C 3.58Å; V348-A403 VanDerWaalsContact O-CA 3.25Å; V348-A403 WeakPolarHBondContact O-CA 3.45Å; I349-A403 HydrophobicContact CG1-CB 4.09Å; L383-A403 HydrophobicContact CB-CB 4.08Å; L383-A403 PolarHBondContact N-O 2.71Å; R385-A403 HydrophobicContact CB-CB 4.37Å
404A95.8Very high94.6Very high0 Ų049.5 Ų49.50%026%0.259CS..EExtended strand (participates in β ladder)trans-152.3151.1-179.100000112.6Q347 V348 I379 E381 I398 I406Q347-A404 CarbonylContact C-O 3.5Å; Q347-A404 WeakPolarHBondContact CA-O 3.49Å; V348-A404 PolarHBondContact N-O 3.27Å; V348-A404 PolarHBondContact O-N 3Å; I379-A404 HydrophobicContact CG2-CB 3.93Å; E381-A404 CarbonylContact O-C 3.58Å; E381-A404 WeakPolarHBondContact O-CA 3.46Å; E381-A404 WeakPolarHBondContact O-CB 3.45Å; I398-A404 HydrophobicContact CD1-CB 4.05Å; I398-A404 HydrophobicContact CG2-CB 3.93Å; A404-I406 HydrophobicContact CB-CD1 4.34Å; A404-I406 HydrophobicContact CB-CG1 4.09Å
405N95.7Very high94.6Very high19 Ų1944.9 Ų44.910%0.10224%0.235CC..EExtended strand (participates in β ladder)trans-89.4132.2162.9-70.6-34.3000108.7M345 A346 Q347 T380 E381M345-N405 HydrophobicContact CE-CB 4.36Å; A346-N405 CarbonylContact O-C 3.49Å; A346-N405 WeakPolarHBondContact O-CA 3.45Å; Q347-N405 WeakPolarHBondContact CB-OD1 3.46Å; T380-N405 PolarHBondContact N-O 2.94Å; T380-N405 WeakPolarHBondContact OG1-CB 3.38Å; T380-N405 PolarHBondContact OG1-O 3.17Å; T380-N405 VanDerWaalsContact OG1-O 3.11Å; E381-N405 HydrophobicContact CB-CB 4.23Å; E381-N405 PolarHBondContact N-O 2.75Å; E381-N405 PolarHBondContact O-N 3.35Å; E381-N405 PolarHBondContact OE2-ND2 3.28Å
406I97.3Very high94.6Very high0 Ų045 Ų450%024%0.235CC..EExtended strand (participates in β ladder)trans-136.8133.5-171.1-49.4-177.5000108.8M345 A346 V348 F376 E378 I379 I398 A404 L408M345-I406 WeakPolarHBondContact CA-O 3.17Å; A346-I406 PolarHBondContact N-O 3.47Å; A346-I406 PolarHBondContact O-N 2.64Å; V348-I406 HydrophobicContact CB-CD1 3.8Å; V348-I406 HydrophobicContact CB-CG1 4.45Å; V348-I406 HydrophobicContact CG1-CD1 4.3Å; V348-I406 HydrophobicContact CG2-CD1 3.93Å; V348-I406 HydrophobicContact CG2-CG1 4.4Å; F376-I406 HydrophobicContact CB-CG2 4.11Å; F376-I406 HydrophobicContact CD1-CD1 3.62Å; F376-I406 HydrophobicContact CD1-CG2 3.83Å; F376-I406 HydrophobicContact CE1-CD1 3.46Å; F376-I406 VanDerWaalsContact CE1-CD1 3.46Å; F376-I406 HydrophobicContact CE1-CG2 4.47Å; F376-I406 HydrophobicContact CG-CG2 4.07Å; F376-I406 HydrophobicContact CZ-CD1 4.49Å; E378-I406 CarbonylContact O-C 3.51Å; E378-I406 WeakPolarHBondContact O-CA 3.2Å; I379-I406 HydrophobicContact CG1-CD1 4.5Å; I379-I406 HydrophobicContact CG1-CG1 4.43Å; I379-I406 HydrophobicContact CG1-CG2 4.45Å; I379-I406 HydrophobicContact CG2-CG1 4.35Å; I398-I406 HydrophobicContact CD1-CD1 3.66Å; A404-I406 HydrophobicContact CB-CD1 4.34Å; A404-I406 HydrophobicContact CB-CG1 4.09Å; I406-L408 HydrophobicContact CB-CD1 4.12Å; I406-L408 HydrophobicContact CG2-CD1 4.17Å; I406-L408 HydrophobicContact CG2-CG 4.19Å; I406-L408 WeakPolarHBondContact O-CD1 3.4Å
407L98.2Very high94.7Very high40 Ų4036 Ų3621%0.20920%0.196CC..EExtended strand (participates in β ladder)trans-82.1120.5165.4-178.863.4000109.2M345 S377 E378M345-L407 HydrophobicContact CG-CD1 4.35Å; M345-L407 VanDerWaalsContact SD-CA 3.5Å; M345-L407 HydrophobicContact SD-CB 3.53Å; M345-L407 VanDerWaalsContact SD-CB 3.53Å; M345-L407 HydrophobicContact SD-CD1 3.64Å; M345-L407 HydrophobicContact SD-CG 4.16Å; S377-L407 WeakPolarHBondContact CB-O 3.21Å; S377-L407 PolarHBondContact N-O 3.11Å; E378-L407 HydrophobicContact CB-CB 4.2Å; E378-L407 PolarHBondContact N-O 2.63Å; E378-L407 PolarHBondContact O-N 3.27Å
408L98.2Very high94.7Very high0 Ų035.3 Ų35.30%019%0.19CC..EExtended strand (participates in β ladder)trans-112.6142.1177.9-65.7107.1000111.6S343 F344 A346 L365 C374 K375 F376 I406 F428S343-L408 VanDerWaalsContact CA-O 3.32Å; S343-L408 WeakPolarHBondContact CA-O 3.2Å; F344-L408 HydrophobicContact CD1-CB 4.17Å; F344-L408 HydrophobicContact CD2-CB 4.13Å; F344-L408 HydrophobicContact CD2-CD1 4.17Å; F344-L408 HydrophobicContact CE1-CB 3.71Å; F344-L408 HydrophobicContact CE2-CB 3.66Å; F344-L408 HydrophobicContact CE2-CD1 3.75Å; F344-L408 HydrophobicContact CE2-CD2 4.38Å; F344-L408 HydrophobicContact CE2-CG 4.14Å; F344-L408 HydrophobicContact CG-CB 4.38Å; F344-L408 HydrophobicContact CZ-CB 3.44Å; F344-L408 VanDerWaalsContact CZ-CB 3.44Å; F344-L408 HydrophobicContact CZ-CD1 4.32Å; F344-L408 HydrophobicContact CZ-CD2 4.24Å; F344-L408 HydrophobicContact CZ-CG 4.21Å; F344-L408 PolarHBondContact N-O 3.44Å; F344-L408 PolarHBondContact O-N 2.84Å; A346-L408 HydrophobicContact CB-CD1 3.71Å; L365-L408 HydrophobicContact CD1-CD2 4.28Å; L365-L408 HydrophobicContact CD2-CD2 3.82Å; C374-L408 HydrophobicContact CB-CD2 4.13Å; K375-L408 VanDerWaalsContact O-CA 3.31Å; K375-L408 WeakPolarHBondContact O-CA 3.45Å; F376-L408 HydrophobicContact CD2-CD2 3.71Å; F376-L408 HydrophobicContact CE2-CD2 3.56Å; F376-L408 HydrophobicContact CG-CD2 4.48Å; F376-L408 HydrophobicContact CZ-CD2 4.26Å; I406-L408 HydrophobicContact CB-CD1 4.12Å; I406-L408 HydrophobicContact CG2-CD1 4.17Å; I406-L408 HydrophobicContact CG2-CG 4.19Å; I406-L408 WeakPolarHBondContact O-CD1 3.4Å; L408-F428 HydrophobicContact CD1-CZ 4.44Å
409V98Very high94.5Very high51 Ų5138.5 Ų38.531%0.30921%0.205SC..EExtended strand (participates in β ladder)trans-123.7118.9175.6-179.90000108.5C374 K375C374-V409 CarbonylContact C-O 3.57Å; C374-V409 WeakPolarHBondContact CA-O 3.19Å; K375-V409 PolarHBondContact N-O 2.85Å; K375-V409 PolarHBondContact O-N 2.9Å
410P97.5Very high94.3Very high17 Ų1741 Ų4111%0.1122%0.218CC..EExtended strand (participates in β ladder)trans-73.7136.4179.332-34.4000111.1A341 E342 I372 K412 L414A341-P410 WeakPolarHBondContact O-CG 3.36Å; E342-P410 WeakPolarHBondContact O-CD 3.45Å; I372-P410 HydrophobicContact CG2-CB 4.27Å; P410-K412 VanDerWaalsContact C-N 3.26Å; P410-K412 WeakPolarHBondContact CB-O 3.4Å; P410-K412 PolarHBondContact O-N 3.34Å; P410-L414 HydrophobicContact CB-CB 3.88Å; P410-L414 HydrophobicContact CB-CD2 4.08Å; P410-L414 HydrophobicContact CG-CB 4.17Å
411N95.7Very high94.5Very high96 Ų9641.6 Ų41.651%0.51322%0.218SC..SBendtrans-77.5-13.9-179.9-68.7-10000113A373A373-N411 HydrophobicContact CB-CB 4.44Å; A373-N411 WeakPolarHBondContact O-CB 3.07Å; A373-N411 PolarHBondContact O-N 2.66Å
412K95.4Very high94.9Very high151 Ų15140.5 Ų40.566%0.65720%0.204SC*.SBendtrans-134.2154.8173.8-69.3-176.9178.81800108.7I372 P410 L414I372-K412 HydrophobicContact CD1-CB 4.49Å; I372-K412 HydrophobicContact CG2-CB 4.1Å; P410-K412 VanDerWaalsContact C-N 3.26Å; P410-K412 WeakPolarHBondContact CB-O 3.4Å; P410-K412 PolarHBondContact O-N 3.34Å; K412-L414 PolarHBondContact O-N 3.2Å
413P95.6Very high94.8Very high70 Ų7040.6 Ų40.646%0.45521%0.206SC..  trans-50.6125.3177.4-29.337000111.9P286 E340 I372P286-P413 HydrophobicContact CB-CB 3.71Å; P286-P413 HydrophobicContact CG-CB 3.43Å; P286-P413 VanDerWaalsContact CG-CB 3.43Å; E340-P413 HydrophobicContact CG-CB 4.25Å; I372-P413 VanDerWaalsContact CD1-O 3.26Å; I372-P413 WeakPolarHBondContact CD1-O 3.27Å
414L96.1Very high94.7Very high6 Ų641.7 Ų41.73%0.03121%0.213CC..  trans-131.6139.8-176.4177.159.6000109.1A341 F344 A370 I372 P410 K412 L416A341-L414 PolarHBondContact N-O 3.26Å; F344-L414 HydrophobicContact CE1-CD2 4.44Å; A370-L414 HydrophobicContact CB-CD1 3.59Å; I372-L414 HydrophobicContact CD1-CB 3.85Å; I372-L414 HydrophobicContact CD1-CD1 3.74Å; I372-L414 HydrophobicContact CD1-CG 4.29Å; I372-L414 HydrophobicContact CG1-CD1 4.27Å; P410-L414 HydrophobicContact CB-CB 3.88Å; P410-L414 HydrophobicContact CB-CD2 4.08Å; P410-L414 HydrophobicContact CG-CB 4.17Å; K412-L414 PolarHBondContact O-N 3.2Å; L414-L416 HydrophobicContact CD2-CD2 3.45Å; L414-L416 VanDerWaalsContact CD2-CD2 3.45Å; L414-L416 HydrophobicContact CG-CD2 3.84Å
415C96.8Very high94.6Very high0 Ų041.7 Ų41.70%021%0.213CC..  trans-105.8127166.6-177.50000108.5A285 V329 K339 H368A285-C415 HydrophobicContact CB-CB 3.86Å; V329-C415 HydrophobicContact CB-CB 4.12Å; V329-C415 HydrophobicContact CG2-CB 3.83Å; K339-C415 PolarHBondContact O-SG 3.01Å; H368-C415 PolarHBondContact NE2-O 2.94Å
416L95.4Very high94.5Very high3 Ų340.8 Ų40.82%0.01621%0.208CC..  trans-150.4165.1174.364.9100.1000108.5A341 F344 L414 V442 V445A341-L416 HydrophobicContact CB-CD2 3.86Å; A341-L416 HydrophobicContact CB-CG 3.87Å; F344-L416 HydrophobicContact CB-CD1 3.86Å; F344-L416 HydrophobicContact CD1-CD1 4.29Å; F344-L416 HydrophobicContact CD1-CD2 3.48Å; F344-L416 VanDerWaalsContact CD1-CD2 3.48Å; F344-L416 HydrophobicContact CD2-CD1 4.16Å; F344-L416 HydrophobicContact CD2-CD2 4.28Å; F344-L416 HydrophobicContact CE1-CD2 3.53Å; F344-L416 HydrophobicContact CE2-CD2 4.31Å; F344-L416 HydrophobicContact CG-CD1 3.87Å; F344-L416 HydrophobicContact CG-CD2 3.87Å; F344-L416 HydrophobicContact CZ-CD2 3.95Å; L414-L416 HydrophobicContact CD2-CD2 3.45Å; L414-L416 VanDerWaalsContact CD2-CD2 3.45Å; L414-L416 HydrophobicContact CG-CD2 3.84Å; L416-V442 HydrophobicContact CD1-CB 4.28Å; L416-V442 HydrophobicContact CD1-CG1 3.59Å; L416-V442 HydrophobicContact CD1-CG2 3.77Å; L416-V445 HydrophobicContact CD1-CB 4.38Å; L416-V445 HydrophobicContact CD1-CG1 4.07Å; L416-V445 HydrophobicContact CD1-CG2 3.4Å; L416-V445 VanDerWaalsContact CD1-CG2 3.4Å
417E96.5Very high94.2Very high0 Ų042.6 Ų42.60%022%0.215CC..  trans-132.7165.1-175.9-64.8-69.4-174.400110.7R251 Y422 L425 G426 V442 K447R251-E417 IonicContact CZ-OE1 2.66Å; R251-E417 VanDerWaalsContact CZ-OE1 3.28Å; R251-E417 IonicContact NE-OE1 2.9Å; R251-E417 PolarHBondContact NE-OE1 3.21Å; R251-E417 IonicContact NH2-OE1 3.86Å; R251-E417 PolarHBondContact NH2-OE1 2.85Å; E417-Y422 HydrophobicContact CB-CD2 3.7Å; E417-Y422 HydrophobicContact CB-CG 4.06Å; E417-Y422 HydrophobicContact CG-CD2 3.66Å; E417-Y422 HydrophobicContact CG-CE2 4.39Å; E417-Y422 HydrophobicContact CG-CG 4.01Å; E417-L425 HydrophobicContact CB-CB 3.9Å; E417-L425 HydrophobicContact CG-CB 3.99Å; E417-L425 HydrophobicContact CG-CD2 3.87Å; E417-L425 PolarHBondContact N-O 3.22Å; E417-G426 WeakPolarHBondContact O-CA 3.46Å; E417-V442 WeakPolarHBondContact O-CB 3.4Å; E417-V442 WeakPolarHBondContact O-CG1 3.43Å; E417-K447 IonicContact OE1-NZ 3.68Å; E417-K447 PolarHBondContact OE1-NZ 3.38Å; E417-K447 VanDerWaalsContact OE2-CE 3.27Å; E417-K447 WeakPolarHBondContact OE2-CE 3.36Å; E417-K447 IonicContact OE2-NZ 3.91Å; E417-K447 PolarHBondContact OE2-NZ 2.7Å
418T95.8Very high93.9Very high20 Ų2040.8 Ų40.812%0.12321%0.205CC..  trans-65.5141.3172.169.20000110.2Q420 Q421 Y422 V445T418-Q420 PolarHBondContact O-N 3.49Å; T418-Q421 PolarHBondContact O-N 2.9Å; T418-Q421 VanDerWaalsContact OG1-CB 3.29Å; T418-Q421 WeakPolarHBondContact OG1-CB 3.13Å; T418-Q421 VanDerWaalsContact OG1-CG 3.25Å; T418-Q421 WeakPolarHBondContact OG1-CG 3.36Å; T418-Q421 PolarHBondContact OG1-N 3.04Å; T418-Q421 PolarHBondContact OG1-OE1 3.03Å; T418-Y422 PolarHBondContact O-N 3.34Å; T418-V445 HydrophobicContact CG2-CG2 4.09Å
419F90.9Very high93.5Very high68 Ų6840.8 Ų40.830%0.29821%0.205SC..THydrogen-bonded Turntrans-57.9-35.4178175-112.9000112.3P423 R427 V441 V442F419-P423 HydrophobicContact CD2-CB 4.11Å; F419-P423 HydrophobicContact CE2-CB 3.64Å; F419-P423 HydrophobicContact CE2-CG 4.41Å; F419-P423 HydrophobicContact CZ-CB 4.44Å; F419-P423 VanDerWaalsContact O-CA 3.28Å; F419-P423 WeakPolarHBondContact O-CA 3.42Å; F419-P423 WeakPolarHBondContact O-CD 3.39Å; F419-P423 VanDerWaalsContact O-CG 3.31Å; F419-P423 WeakPolarHBondContact O-CG 3.28Å; F419-R427 HydrophobicContact CD2-CG 3.5Å; F419-R427 VanDerWaalsContact CD2-CG 3.5Å; F419-R427 HydrophobicContact CE2-CG 3.68Å; F419-R427 VanDerWaalsContact CE2-NH2 3.34Å; F419-V441 HydrophobicContact CB-CB 4.18Å; F419-V441 HydrophobicContact CD1-CB 4.5Å; F419-V441 HydrophobicContact CG-CB 4.18Å; F419-V441 HydrophobicContact CG-CG1 4.36Å; F419-V442 VanDerWaalsContact CB-O 3.29Å; F419-V442 WeakPolarHBondContact CB-O 3.49Å; F419-V442 PolarHBondContact N-O 3.44Å
420Q89.5Confident93.2Very high175 Ų17538.3 Ų38.382%0.81819%0.19SC*.THydrogen-bonded Turntrans-67.5-40.3-179.6-170.617614.700112.3T418T418-Q420 PolarHBondContact O-N 3.49Å
421Q91.6Very high92.8Very high102 Ų10238.6 Ų38.648%0.47719%0.189SC..THydrogen-bonded Turntrans-83.2-49.5-177.5-67.8172.3-31.900111.7K248 T418K248-Q421 WeakPolarHBondContact CD-O 3.3Å; K248-Q421 WeakPolarHBondContact CE-O 3.44Å; K248-Q421 PolarHBondContact NZ-O 2.89Å; T418-Q421 PolarHBondContact O-N 2.9Å; T418-Q421 VanDerWaalsContact OG1-CB 3.29Å; T418-Q421 WeakPolarHBondContact OG1-CB 3.13Å; T418-Q421 VanDerWaalsContact OG1-CG 3.25Å; T418-Q421 WeakPolarHBondContact OG1-CG 3.36Å; T418-Q421 PolarHBondContact OG1-N 3.04Å; T418-Q421 PolarHBondContact OG1-OE1 3.03Å
422Y92.7Very high92.5Very high9 Ų936.3 Ų36.34%0.03518%0.177CC..  trans-13178.6-177.3-57.8-86.7000109.8P249 R251 T273 D336 E417 T418 P424 L425 G426P249-Y422 HydrophobicContact CB-CE1 4.46Å; P249-Y422 VanDerWaalsContact CB-OH 3.31Å; P249-Y422 WeakPolarHBondContact CB-OH 3.42Å; P249-Y422 WeakPolarHBondContact CD-OH 2.97Å; P249-Y422 WeakPolarHBondContact CG-OH 3.33Å; R251-Y422 HydrophobicContact CG-CD1 3.65Å; R251-Y422 HydrophobicContact CG-CE1 3.79Å; R251-Y422 HydrophobicContact CG-CG 4.32Å; T273-Y422 HydrophobicContact CG2-CD1 3.86Å; T273-Y422 HydrophobicContact CG2-CE1 4.48Å; T273-Y422 WeakPolarHBondContact OG1-CD1 3.38Å; D336-Y422 PolarHBondContact OD2-OH 2.8Å; E417-Y422 HydrophobicContact CB-CD2 3.7Å; E417-Y422 HydrophobicContact CB-CG 4.06Å; E417-Y422 HydrophobicContact CG-CD2 3.66Å; E417-Y422 HydrophobicContact CG-CE2 4.39Å; E417-Y422 HydrophobicContact CG-CG 4.01Å; T418-Y422 PolarHBondContact O-N 3.34Å; Y422-P424 VanDerWaalsContact C-N 3.29Å; Y422-P424 VanDerWaalsContact O-N 3.09Å; Y422-L425 PolarHBondContact O-N 3.28Å; Y422-G426 PolarHBondContact O-N 2.87Å
423P88Confident91.8Very high25 Ų2535.9 Ų35.916%0.16218%0.179CC..G310 helixtrans-44.8-43.5-176.9-28.432.1000115.2M245 F419 L425 G426 R427M245-P423 HydrophobicContact SD-CG 4.35Å; F419-P423 HydrophobicContact CD2-CB 4.11Å; F419-P423 HydrophobicContact CE2-CB 3.64Å; F419-P423 HydrophobicContact CE2-CG 4.41Å; F419-P423 HydrophobicContact CZ-CB 4.44Å; F419-P423 VanDerWaalsContact O-CA 3.28Å; F419-P423 WeakPolarHBondContact O-CA 3.42Å; F419-P423 WeakPolarHBondContact O-CD 3.39Å; F419-P423 VanDerWaalsContact O-CG 3.31Å; F419-P423 WeakPolarHBondContact O-CG 3.28Å; P423-L425 VanDerWaalsContact C-N 3.27Å; P423-L425 PolarHBondContact O-N 3.3Å; P423-G426 PolarHBondContact O-N 2.92Å; P423-R427 WeakPolarHBondContact O-CG 3.5Å
424P88.1Confident90.7Very high24 Ų2438.5 Ų38.516%0.15618%0.183CC..G310 helixtrans-68.1-22.4-178.6-21.636.2000114.6M245 E272 Y422M245-P424 HydrophobicContact CE-CG 3.85Å; E272-P424 HydrophobicContact CB-CB 4.09Å; E272-P424 HydrophobicContact CB-CG 4.13Å; E272-P424 HydrophobicContact CG-CB 3.88Å; E272-P424 HydrophobicContact CG-CG 4.39Å; E272-P424 WeakPolarHBondContact OE2-CB 3.02Å; E272-P424 WeakPolarHBondContact OE2-CG 3.4Å; Y422-P424 VanDerWaalsContact C-N 3.29Å; Y422-P424 VanDerWaalsContact O-N 3.09Å
425L93.5Very high90Very high0 Ų041.2 Ų41.20%020%0.196CC..G310 helixtrans-102.5-0.9179.8-79.670.1000112.9R251 P253 E272 V329 C367 E417 Y422 P423R251-L425 HydrophobicContact CB-CD1 4.22Å; R251-L425 HydrophobicContact CB-CD2 4.11Å; R251-L425 HydrophobicContact CG-CD2 4.08Å; P253-L425 HydrophobicContact CG-CD1 3.8Å; P253-L425 HydrophobicContact CG-CG 4.27Å; E272-L425 HydrophobicContact CB-CD1 4.19Å; E272-L425 HydrophobicContact CG-CD1 4.17Å; V329-L425 HydrophobicContact CG1-CD2 3.77Å; V329-L425 HydrophobicContact CG2-CD2 4.08Å; C367-L425 PolarHBondContact SG-O 3.16Å; C367-L425 VanDerWaalsContact SG-O 3.41Å; E417-L425 HydrophobicContact CB-CB 3.9Å; E417-L425 HydrophobicContact CG-CB 3.99Å; E417-L425 HydrophobicContact CG-CD2 3.87Å; E417-L425 PolarHBondContact N-O 3.22Å; Y422-L425 PolarHBondContact O-N 3.28Å; P423-L425 VanDerWaalsContact C-N 3.27Å; P423-L425 PolarHBondContact O-N 3.3Å
426G93.3Very high89.4Confident0 Ų041.3 Ų41.30%020%0.196CC..SBendtrans-114.59.1-17700000114.5E417 Y422 P423 V441 V442E417-G426 WeakPolarHBondContact O-CA 3.46Å; Y422-G426 PolarHBondContact O-N 2.87Å; P423-G426 PolarHBondContact O-N 2.92Å; G426-V441 CarbonylContact O-C 3.58Å; G426-V441 WeakPolarHBondContact O-CA 3.48Å; G426-V442 PolarHBondContact O-N 3.03Å
427R91Very high89.2Confident37 Ų3741.3 Ų41.314%0.1420%0.196CC..EExtended strand (participates in β ladder)trans-116.4140.2172-51.8-170-174.7110-10110T142 L143 G144 F419 P423 G440 V441T142-R427 WeakPolarHBondContact O-CB 3.27Å; T142-R427 WeakPolarHBondContact O-CD 3.15Å; L143-R427 PolarHBondContact O-NH1 3.09Å; G144-R427 VanDerWaalsContact CA-CZ 3.49Å; F419-R427 HydrophobicContact CD2-CG 3.5Å; F419-R427 VanDerWaalsContact CD2-CG 3.5Å; F419-R427 HydrophobicContact CE2-CG 3.68Å; F419-R427 VanDerWaalsContact CE2-NH2 3.34Å; P423-R427 WeakPolarHBondContact O-CG 3.5Å; R427-G440 WeakPolarHBondContact CA-O 3.4Å; R427-V441 HydrophobicContact CG-CG1 4.18Å
428F91.8Very high88.9Confident2 Ų241.3 Ų41.31%0.00920%0.196CC..EExtended strand (participates in β ladder)trans-145.4155.2-178.861.7-91.8000112.5F344 A346 V348 L365 D366 C367 L408 V430 G440 V442F344-F428 HydrophobicContact CE2-CE1 4.15Å; F344-F428 HydrophobicContact CE2-CZ 4.37Å; A346-F428 HydrophobicContact CB-CE1 3.48Å; A346-F428 VanDerWaalsContact CB-CE1 3.48Å; A346-F428 HydrophobicContact CB-CZ 3.41Å; A346-F428 VanDerWaalsContact CB-CZ 3.41Å; V348-F428 HydrophobicContact CG2-CE2 4.13Å; V348-F428 HydrophobicContact CG2-CZ 3.91Å; L365-F428 HydrophobicContact CD2-CD2 3.58Å; L365-F428 HydrophobicContact CD2-CE2 3.69Å; L365-F428 HydrophobicContact CD2-CG 4.09Å; L365-F428 HydrophobicContact CD2-CZ 4.27Å; L365-F428 HydrophobicContact CG-CD2 3.72Å; L365-F428 HydrophobicContact CG-CE2 4.1Å; L365-F428 HydrophobicContact CG-CG 4.43Å; D366-F428 CarbonylContact O-C 3.54Å; D366-F428 WeakPolarHBondContact O-CA 3.32Å; D366-F428 VanDerWaalsContact O-CB 3.29Å; D366-F428 WeakPolarHBondContact O-CB 3.44Å; C367-F428 HydrophobicContact CB-CB 3.84Å; L408-F428 HydrophobicContact CD1-CZ 4.44Å; F428-V430 HydrophobicContact CD2-CG2 3.87Å; F428-V430 HydrophobicContact CE2-CG2 3.64Å; F428-G440 PolarHBondContact N-O 3.08Å; F428-G440 PolarHBondContact O-N 3.3Å; F428-V442 HydrophobicContact CD1-CG2 3.92Å; F428-V442 HydrophobicContact CE1-CG2 3.89Å
429A90.1Very high88.6Confident0 Ų041 Ų410%019%0.194CC..EExtended strand (participates in β ladder)trans-104.4143167.800000109.5I103 L139 L365 D366 T436I103-A429 HydrophobicContact CD1-CB 4.34Å; L139-A429 HydrophobicContact CD2-CB 3.54Å; L365-A429 WeakPolarHBondContact CA-O 3.35Å; D366-A429 HydrophobicContact CB-CB 4.49Å; D366-A429 PolarHBondContact N-O 3.37Å; D366-A429 PolarHBondContact O-N 3.17Å; A429-T436 HydrophobicContact CB-CG2 4.29Å
430V92.3Very high88.6Confident0 Ų038 Ų380%018%0.182CC..EExtended strand (participates in β ladder)trans-105.5125.2175.4-175.70000107.6P363 L365 F376 F428 T436 V437 A438P363-V430 HydrophobicContact CB-CG1 3.55Å; P363-V430 HydrophobicContact CG-CG1 3.27Å; L365-V430 HydrophobicContact CD1-CB 4.49Å; L365-V430 HydrophobicContact CD1-CG1 4.16Å; L365-V430 HydrophobicContact CD1-CG2 4.05Å; L365-V430 HydrophobicContact CG-CG2 4.25Å; F376-V430 HydrophobicContact CE2-CG1 4.15Å; F376-V430 HydrophobicContact CZ-CG1 3.93Å; F376-V430 HydrophobicContact CZ-CG2 4.15Å; F428-V430 HydrophobicContact CD2-CG2 3.87Å; F428-V430 HydrophobicContact CE2-CG2 3.64Å; V430-T436 CarbonylContact O-C 3.45Å; V430-T436 WeakPolarHBondContact O-CA 3.37Å; V430-V437 HydrophobicContact CB-CG2 4.23Å; V430-V437 HydrophobicContact CG1-CG2 3.75Å; V430-V437 WeakPolarHBondContact O-CG2 3.47Å; V430-V437 PolarHBondContact O-N 2.92Å; V430-A438 HydrophobicContact CB-CB 3.75Å; V430-A438 HydrophobicContact CG1-CB 4.42Å; V430-A438 HydrophobicContact CG2-CB 3.89Å; V430-A438 PolarHBondContact N-O 2.87Å; V430-A438 PolarHBondContact O-N 3.5Å
431R89Confident88.7Confident23 Ų2331.6 Ų31.69%0.08716%0.156CC..EExtended strand (participates in β ladder)trans-124.4139.1-175.3-60.5-166.870.5-155.8-5.6112.2I99 P363 V364 D366 K434 Q435I99-R431 VanDerWaalsContact CB-CZ 3.49Å; P363-R431 WeakPolarHBondContact CB-O 3.18Å; V364-R431 PolarHBondContact N-O 3.21Å; V364-R431 PolarHBondContact O-N 2.91Å; D366-R431 WeakPolarHBondContact OD2-CD 3.43Å; R431-K434 PolarHBondContact NH2-O 2.8Å; R431-Q435 VanDerWaalsContact CA-O 3.27Å; R431-Q435 WeakPolarHBondContact CA-O 3.48Å
432D88.3Confident88.9Confident47 Ų4726.9 Ų26.925%0.25113%0.134SC..EExtended strand (participates in β ladder)trans-149144.3173.9-170.111.4000109.7Y361 P363 K434 Q435 V437Y361-D432 WeakPolarHBondContact CE2-OD2 3.33Å; Y361-D432 WeakPolarHBondContact OH-CB 3.43Å; Y361-D432 PolarHBondContact OH-OD2 3.49Å; P363-D432 HydrophobicContact CB-CB 4.48Å; D432-K434 PolarHBondContact O-N 3.16Å; D432-Q435 PolarHBondContact N-O 3.11Å; D432-Q435 PolarHBondContact O-N 2.97Å; D432-Q435 VanDerWaalsContact O-O 3.11Å; D432-V437 HydrophobicContact CB-CG1 3.98Å; D432-V437 HydrophobicContact CB-CG2 4.05Å
433M81Confident89Confident143 Ų14331.8 Ų31.870%0.70416%0.155SC*.THydrogen-bonded Turntrans43.942.7-178.3-67.1-177.5-97.500113.7Q435M433-Q435 PolarHBondContact O-N 3.47Å
434K73.9Confident89.4Confident124 Ų12433.3 Ų33.354%0.53917%0.167SC..THydrogen-bonded Turntrans66.58.3-178.8-52.4174.5171.3-171.90115.8D97 R431 D432D97-K434 VanDerWaalsContact OD1-CD 3.27Å; D97-K434 WeakPolarHBondContact OD1-CD 3.3Å; D97-K434 VanDerWaalsContact OD1-CE 3.3Å; D97-K434 WeakPolarHBondContact OD1-CE 3.36Å; D97-K434 IonicContact OD1-NZ 3.88Å; D97-K434 PolarHBondContact OD1-NZ 3.33Å; D97-K434 IonicContact OD2-NZ 3.6Å; R431-K434 PolarHBondContact NH2-O 2.8Å; D432-K434 PolarHBondContact O-N 3.16Å
435Q80.2Confident89.9Confident64 Ų6433.5 Ų33.530%0.29917%0.167SC..EExtended strand (participates in β ladder)trans-110.7147176.9-62.2-1764.500110.8R431 D432 M433 V437R431-Q435 VanDerWaalsContact CA-O 3.27Å; R431-Q435 WeakPolarHBondContact CA-O 3.48Å; D432-Q435 PolarHBondContact N-O 3.11Å; D432-Q435 PolarHBondContact O-N 2.97Å; D432-Q435 VanDerWaalsContact O-O 3.11Å; M433-Q435 PolarHBondContact O-N 3.47Å; Q435-V437 PolarHBondContact O-N 3.03Å
436T85Confident90Very high1 Ų136.8 Ų36.81%0.00619%0.187CC..EExtended strand (participates in β ladder)trans-74.6108.3165.9-52.70000108.8E135 L139 A429 V430 V439E135-T436 VanDerWaalsContact OE1-CB 3.23Å; E135-T436 WeakPolarHBondContact OE1-CB 3.36Å; E135-T436 PolarHBondContact OE1-N 3.5Å; E135-T436 PolarHBondContact OE1-OG1 3.05Å; L139-T436 HydrophobicContact CD2-CG2 3.93Å; A429-T436 HydrophobicContact CB-CG2 4.29Å; V430-T436 CarbonylContact O-C 3.45Å; V430-T436 WeakPolarHBondContact O-CA 3.37Å; T436-V439 HydrophobicContact CG2-CG1 4.12Å
437V90Very high90.1Very high3 Ų339.7 Ų39.72%0.01820%0.2CC..EExtended strand (participates in β ladder)trans-96.1-17.5-176.2-65.20000113.2V350 M351 H353 V430 D432 Q435V350-V437 WeakPolarHBondContact CG1-O 3.3Å; M351-V437 CarbonylContact C-O 3.55Å; M351-V437 PolarHBondContact N-O 3.37Å; M351-V437 CarbonylContact O-C 3.2Å; M351-V437 WeakPolarHBondContact O-CA 3.36Å; H353-V437 HydrophobicContact CB-CB 4.2Å; H353-V437 HydrophobicContact CB-CG1 4.44Å; V430-V437 HydrophobicContact CB-CG2 4.23Å; V430-V437 HydrophobicContact CG1-CG2 3.75Å; V430-V437 WeakPolarHBondContact O-CG2 3.47Å; V430-V437 PolarHBondContact O-N 2.92Å; D432-V437 HydrophobicContact CB-CG1 3.98Å; D432-V437 HydrophobicContact CB-CG2 4.05Å; Q435-V437 PolarHBondContact O-N 3.03Å
438A90.2Very high90.1Very high0 Ų042.3 Ų42.30%021%0.212CC..EExtended strand (participates in β ladder)trans-160.9166.2172.900000111.2V348 I349 V430V348-A438 HydrophobicContact CG1-CB 3.34Å; I349-A438 CarbonylContact O-C 3.58Å; I349-A438 WeakPolarHBondContact O-CA 3.34Å; I349-A438 WeakPolarHBondContact O-CB 3.18Å; V430-A438 HydrophobicContact CB-CB 3.75Å; V430-A438 HydrophobicContact CG1-CB 4.42Å; V430-A438 HydrophobicContact CG2-CB 3.89Å; V430-A438 PolarHBondContact N-O 2.87Å; V430-A438 PolarHBondContact O-N 3.5Å
439V89.7Confident89.4Confident13 Ų1351 Ų518%0.07925%0.253CS..EExtended strand (participates in β ladder)trans-131.9146.8170.9-66.30000109L138 T142 V348 I349 M351 T436L138-V439 HydrophobicContact CD1-CG1 4.33Å; L138-V439 HydrophobicContact CD1-CG2 4.39Å; L138-V439 HydrophobicContact CD2-CG1 4.47Å; L138-V439 HydrophobicContact CG-CG1 4.29Å; T142-V439 HydrophobicContact CG2-CB 3.59Å; T142-V439 HydrophobicContact CG2-CG1 3.73Å; T142-V439 WeakPolarHBondContact OG1-CG1 3.31Å; V348-V439 CarbonylContact C-O 3.53Å; V348-V439 VanDerWaalsContact CA-O 3.29Å; V348-V439 WeakPolarHBondContact CA-O 3.34Å; I349-V439 HydrophobicContact CB-CG2 4.18Å; I349-V439 PolarHBondContact N-O 3.38Å; I349-V439 PolarHBondContact O-N 3.02Å; M351-V439 HydrophobicContact SD-CB 4.44Å; M351-V439 HydrophobicContact SD-CG1 3.95Å; M351-V439 HydrophobicContact SD-CG2 3.8Å; T436-V439 HydrophobicContact CG2-CG1 4.12Å
440G90.9Very high88.2Confident5 Ų553.4 Ų53.45%0.05227%0.27CS..EExtended strand (participates in β ladder)trans-147.9159.7-175.400000115.5Q347 R427 F428Q347-G440 CarbonylContact O-C 3.59Å; Q347-G440 WeakPolarHBondContact O-CA 3.49Å; R427-G440 WeakPolarHBondContact CA-O 3.4Å; F428-G440 PolarHBondContact N-O 3.08Å; F428-G440 PolarHBondContact O-N 3.3Å
441V91.1Very high86.8Confident42 Ų4258 Ų5826%0.25531%0.307SS..EExtended strand (participates in β ladder)trans-124.9132.9173.4-62.50000110A346 Q347 F419 G426 R427A346-V441 CarbonylContact C-O 3.53Å; A346-V441 VanDerWaalsContact CA-O 3.22Å; A346-V441 WeakPolarHBondContact CA-O 3.18Å; A346-V441 WeakPolarHBondContact CB-O 3.28Å; Q347-V441 HydrophobicContact CB-CG2 4.05Å; Q347-V441 PolarHBondContact N-O 2.76Å; Q347-V441 PolarHBondContact O-N 2.94Å; F419-V441 HydrophobicContact CB-CB 4.18Å; F419-V441 HydrophobicContact CD1-CB 4.5Å; F419-V441 HydrophobicContact CG-CB 4.18Å; F419-V441 HydrophobicContact CG-CG1 4.36Å; G426-V441 CarbonylContact O-C 3.58Å; G426-V441 WeakPolarHBondContact O-CA 3.48Å; R427-V441 HydrophobicContact CG-CG1 4.18Å
442V96.2Very high85.7Confident3 Ų359.9 Ų59.92%0.01833%0.328CS..EExtended strand (participates in β ladder)trans-75.9124.3-179.2-178.10000109.4F344 L416 E417 F419 G426 F428 V445F344-V442 HydrophobicContact CB-CG1 4.29Å; F344-V442 HydrophobicContact CD2-CG1 4.41Å; F344-V442 HydrophobicContact CD2-CG2 4.2Å; L416-V442 HydrophobicContact CD1-CB 4.28Å; L416-V442 HydrophobicContact CD1-CG1 3.59Å; L416-V442 HydrophobicContact CD1-CG2 3.77Å; E417-V442 WeakPolarHBondContact O-CB 3.4Å; E417-V442 WeakPolarHBondContact O-CG1 3.43Å; F419-V442 VanDerWaalsContact CB-O 3.29Å; F419-V442 WeakPolarHBondContact CB-O 3.49Å; F419-V442 PolarHBondContact N-O 3.44Å; G426-V442 PolarHBondContact O-N 3.03Å; F428-V442 HydrophobicContact CD1-CG2 3.92Å; F428-V442 HydrophobicContact CE1-CG2 3.89Å; V442-V445 HydrophobicContact CG1-CG2 3.54Å
443K94.5Very high85.1Confident112 Ų11265 Ų6549%0.48735%0.348SS..EExtended strand (participates in β ladder)trans-93.8-44.3177.4-63.5-131.7-173.2-171.90112.4M345M345-K443 PolarHBondContact O-N 2.72Å
444S97.4Very high85Confident57 Ų5762.1 Ų62.140%0.39934%0.339SS..EExtended strand (participates in β ladder)trans-146.1155178.364.60000110.9F344 M345F344-S444 CarbonylContact C-O 3.54Å; F344-S444 VanDerWaalsContact CA-O 3.27Å; F344-S444 WeakPolarHBondContact CA-O 3.29Å; F344-S444 VanDerWaalsContact CB-O 3.3Å; F344-S444 WeakPolarHBondContact CB-O 3.09Å; M345-S444 WeakPolarHBondContact CB-OG 3.31Å; M345-S444 PolarHBondContact N-O 2.79Å; M345-S444 PolarHBondContact O-N 3.26Å
445V97.6Very high85.2Confident27 Ų2756.8 Ų56.816%0.16432%0.317CS..EExtended strand (participates in β ladder)trans-133.5125.8-178.7-171.40000109A341 F344 L416 T418 V442 K447A341-V445 HydrophobicContact CB-CG1 3.58Å; F344-V445 HydrophobicContact CB-CG1 4.49Å; F344-V445 HydrophobicContact CB-CG2 4.31Å; L416-V445 HydrophobicContact CD1-CB 4.38Å; L416-V445 HydrophobicContact CD1-CG1 4.07Å; L416-V445 HydrophobicContact CD1-CG2 3.4Å; L416-V445 VanDerWaalsContact CD1-CG2 3.4Å; T418-V445 HydrophobicContact CG2-CG2 4.09Å; V442-V445 HydrophobicContact CG1-CG2 3.54Å; V445-K447 HydrophobicContact CG1-CG 4.13Å; V445-K447 PolarHBondContact O-N 3.34Å
446T97.4Very high85.1Confident70 Ų7062.1 Ų62.143%0.42934%0.339SS..EExtended strand (participates in β ladder)trans-84.9104.2166.8-55.50000107.3E342 S343E342-T446 HydrophobicContact CB-CG2 4.42Å; E342-T446 PolarHBondContact N-O 2.96Å; S343-T446 PolarHBondContact O-N 3.3Å; S343-T446 WeakPolarHBondContact OG-CB 3.46Å; S343-T446 PolarHBondContact OG-OG1 3.29Å
447K94.4Very high84.7Confident61 Ų6162.4 Ų62.427%0.26534%0.341SS..EExtended strand (participates in β ladder)trans-84131.2-178.7-69-177.5175.1-172.40109.8K339 E340 E417 V445K339-K447 HydrophobicContact CB-CB 4.19Å; K339-K447 HydrophobicContact CB-CD 4.12Å; K339-K447 HydrophobicContact CB-CG 4.32Å; K339-K447 HydrophobicContact CD-CB 4.23Å; K339-K447 HydrophobicContact CD-CD 4.24Å; K339-K447 HydrophobicContact CG-CD 4.46Å; E340-K447 WeakPolarHBondContact O-CA 3.28Å; E417-K447 IonicContact OE1-NZ 3.68Å; E417-K447 PolarHBondContact OE1-NZ 3.38Å; E417-K447 VanDerWaalsContact OE2-CE 3.27Å; E417-K447 WeakPolarHBondContact OE2-CE 3.36Å; E417-K447 IonicContact OE2-NZ 3.91Å; E417-K447 PolarHBondContact OE2-NZ 2.7Å; V445-K447 HydrophobicContact CG1-CG 4.13Å; V445-K447 PolarHBondContact O-N 3.34Å
448K91.3Very high84.1Confident92 Ų9262.3 Ų62.340%0.434%0.341SS..  trans-72.3141175.7-165.6179.1-178.31790110.6E340 E342 S450E340-K448 HydrophobicContact CB-CB 4.21Å; E340-K448 HydrophobicContact CG-CD 4.35Å; E340-K448 PolarHBondContact O-N 3.24Å; E340-K448 IonicContact OE1-NZ 3.79Å; E340-K448 PolarHBondContact OE1-NZ 2.84Å; E340-K448 WeakPolarHBondContact OE2-CD 2.96Å; E340-K448 IonicContact OE2-NZ 3.86Å; E340-K448 PolarHBondContact OE2-NZ 3.4Å; E342-K448 HydrophobicContact CB-CB 4.48Å; K448-S450 PolarHBondContact O-N 3.46Å
449E77.6Confident83.5Confident184 Ų18464.2 Ų64.286%0.8636%0.356SS*.  trans-74.6114.8167.5-65.3-165.5161.800109.5
450S64.8Low83Confident50 Ų5070.8 Ų70.835%0.3538%0.384SS..  trans-101.7133.9179.162.40000111.2K448 A452K448-S450 PolarHBondContact O-N 3.46Å; S450-A452 PolarHBondContact O-N 3.42Å; S450-A452 VanDerWaalsContact O-N 3.1Å
451A61.9Low82.4Confident96 Ų9672 Ų7279%0.79339%0.39SS*.  trans-67.6104.3163.300000109.2K453A451-K453 PolarHBondContact O-N 2.94Å
452A66.2Low81.7Confident64 Ų6472.7 Ų72.753%0.52940%0.4SS..  trans-64.1121.4-175.700000111.5S450 V454S450-A452 PolarHBondContact O-N 3.42Å; S450-A452 VanDerWaalsContact O-N 3.1Å; A452-V454 HydrophobicContact CB-CG2 4.43Å
453K75.6Confident80.7Confident153 Ų15381 Ų8167%0.66544%0.436SS*.EExtended strand (participates in β ladder)trans-87.9111.1168.3-72.9-174.1-178.6177.10108.7G288 L289 S290 A451G288-K453 PolarHBondContact O-N 3.25Å; L289-K453 WeakPolarHBondContact CA-O 3.25Å; L289-K453 HydrophobicContact CD1-CB 4.23Å; S290-K453 PolarHBondContact N-O 2.68Å; A451-K453 PolarHBondContact O-N 2.94Å
454V78.2Confident79.4Confident83 Ų8384.6 Ų84.650%0.50345%0.451SS..EExtended strand (participates in β ladder)trans-102.4122.7-178.2-174.50000109.9A452 A458 A459A452-V454 HydrophobicContact CB-CG2 4.43Å; V454-A458 HydrophobicContact CG1-CB 3.56Å; V454-A459 HydrophobicContact CG1-CB 4.31Å
455T79.3Confident77.2Confident13 Ų1392.6 Ų92.68%0.0848%0.479CS..  trans-66.7156.8176.6600000111.9L289 S290 T291 N318 V319 S457 A458 A459L289-T455 HydrophobicContact CD1-CG2 4.04Å; S290-T455 WeakPolarHBondContact O-CB 3.46Å; S290-T455 VanDerWaalsContact O-CG2 3.28Å; S290-T455 WeakPolarHBondContact O-CG2 3.38Å; S290-T455 PolarHBondContact O-N 3.27Å; S290-T455 PolarHBondContact O-OG1 2.84Å; T291-T455 WeakPolarHBondContact CA-OG1 3.45Å; T291-T455 PolarHBondContact OG1-OG1 2.83Å; N318-T455 HydrophobicContact CB-CG2 4.21Å; V319-T455 HydrophobicContact CG2-CG2 4.2Å; T455-S457 PolarHBondContact O-N 3.47Å; T455-S457 PolarHBondContact OG1-OG 3.31Å; T455-S457 VanDerWaalsContact OG1-OG 3.07Å; T455-A458 PolarHBondContact O-N 2.93Å; T455-A458 VanDerWaalsContact O-N 3.13Å; T455-A458 WeakPolarHBondContact OG1-CB 3.21Å; T455-A458 PolarHBondContact OG1-N 2.64Å; T455-A459 PolarHBondContact O-N 3.47Å
456K77.3Confident76.1Confident175 Ų17595.9 Ų95.976%0.76150%0.495SS*.Hα-helixtrans-55.6-34.1175.6-70-177.6-179.7177.20112.8K460K456-K460 WeakPolarHBondContact O-CG 3.36Å; K456-K460 PolarHBondContact O-N 2.96Å; K456-K460 VanDerWaalsContact O-N 3.15Å
457S77.8Confident75Confident8 Ų897.2 Ų97.26%0.05650%0.498CS..Hα-helixtrans-66.5-50.7175.528.20000111.7N318 T455 A459 K460 V461N318-S457 PolarHBondContact ND2-OG 3.28Å; T455-S457 PolarHBondContact O-N 3.47Å; T455-S457 PolarHBondContact OG1-OG 3.31Å; T455-S457 VanDerWaalsContact OG1-OG 3.07Å; S457-A459 VanDerWaalsContact C-N 3.32Å; S457-A459 PolarHBondContact O-N 3.05Å; S457-K460 PolarHBondContact O-N 2.93Å; S457-K460 VanDerWaalsContact O-N 3.14Å; S457-V461 PolarHBondContact O-N 2.81Å; S457-V461 VanDerWaalsContact O-N 3.08Å
458A75.7Confident73.9Confident1 Ų199.2 Ų99.21%0.00851%0.511CS..Hα-helixtrans-58.1-44.5176.700000111.9V281 S290 V454 T455 K460 V461 A462V281-A458 HydrophobicContact CG1-CB 3.55Å; S290-A458 WeakPolarHBondContact O-CB 3.46Å; V454-A458 HydrophobicContact CG1-CB 3.56Å; T455-A458 PolarHBondContact O-N 2.93Å; T455-A458 VanDerWaalsContact O-N 3.13Å; T455-A458 WeakPolarHBondContact OG1-CB 3.21Å; T455-A458 PolarHBondContact OG1-N 2.64Å; A458-K460 VanDerWaalsContact C-N 3.31Å; A458-K460 PolarHBondContact O-N 3.16Å; A458-V461 PolarHBondContact O-N 3.22Å; A458-A462 WeakPolarHBondContact O-CB 3.28Å; A458-A462 PolarHBondContact O-N 3.34Å
459A78.6Confident72.9Confident39 Ų3999.6 Ų99.632%0.32252%0.518SS..Hα-helixtrans-61.2-37177.200000112.8V454 T455 S457 K463V454-A459 HydrophobicContact CG1-CB 4.31Å; T455-A459 PolarHBondContact O-N 3.47Å; S457-A459 VanDerWaalsContact C-N 3.32Å; S457-A459 PolarHBondContact O-N 3.05Å; A459-K463 WeakPolarHBondContact O-CG 3.23Å; A459-K463 PolarHBondContact O-N 3.43Å
460K79Confident72.6Confident152 Ų15294.4 Ų94.466%0.66150%0.496SS*.Hα-helixtrans-68.1-40.3175.7-78.5-179.1179.9-172.80112.5K456 S457 A458 K463 K464K456-K460 WeakPolarHBondContact O-CG 3.36Å; K456-K460 PolarHBondContact O-N 2.96Å; K456-K460 VanDerWaalsContact O-N 3.15Å; S457-K460 PolarHBondContact O-N 2.93Å; S457-K460 VanDerWaalsContact O-N 3.14Å; A458-K460 VanDerWaalsContact C-N 3.31Å; A458-K460 PolarHBondContact O-N 3.16Å; K460-K463 PolarHBondContact O-N 2.97Å; K460-K464 PolarHBondContact O-N 3.16Å
461V78.7Confident73.1Confident30 Ų3097.3 Ų97.318%0.18251%0.506CS..Hα-helixtrans-69.2-39.3177.8176.50000111V281 E292 S457 A458 K463 K464V281-V461 HydrophobicContact CG2-CB 3.86Å; V281-V461 HydrophobicContact CG2-CG1 3.69Å; E292-V461 HydrophobicContact CB-CG2 4.24Å; E292-V461 HydrophobicContact CG-CG2 3.83Å; S457-V461 PolarHBondContact O-N 2.81Å; S457-V461 VanDerWaalsContact O-N 3.08Å; A458-V461 PolarHBondContact O-N 3.22Å; V461-K463 VanDerWaalsContact C-N 3.26Å; V461-K463 PolarHBondContact O-N 2.86Å; V461-K464 PolarHBondContact O-N 2.83Å
462A77.2Confident74Confident56 Ų5697.4 Ų97.446%0.46349%0.485SS..Hα-helixtrans-61.1-32.9176.500000113A458A458-A462 WeakPolarHBondContact O-CB 3.28Å; A458-A462 PolarHBondContact O-N 3.34Å
463K74.8Confident74.6Confident179 Ų179100 Ų10078%0.77848%0.482SS*.THydrogen-bonded Turntrans-80.2-10.9177.2-71.4-178.9179.7-169.30115.1A459 K460 V461A459-K463 WeakPolarHBondContact O-CG 3.23Å; A459-K463 PolarHBondContact O-N 3.43Å; K460-K463 PolarHBondContact O-N 2.97Å; V461-K463 VanDerWaalsContact C-N 3.26Å; V461-K463 PolarHBondContact O-N 2.86Å
464K66Low74.5Confident187 Ų18795.6 Ų95.681%0.81347%0.467SS*.THydrogen-bonded Turntrans-932.4-176.8-83-171.4174-167.60113.8K460 V461K460-K464 PolarHBondContact O-N 3.16Å; V461-K464 PolarHBondContact O-N 2.83Å
465K51Low74.1Confident224 Ų22496.7 Ų96.797%0.97446%0.463SS*.  trans-118.30167.2-68.2-166.6178.1-167.90107.5

Retrieved 465 of 465 residues in 561.1 ms (Link to these results)

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