A0A087WVQ9_HUMAN 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 A0A087WVQ9, Species HUMAN (Homo sapiens, Human), Gene EEF1A1, Length 459 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
1M37.2Very low72.3Confident240 Ų24082.5 Ų82.5100%1.18243%0.432SS*.  0110.90-73166.37900107.1
2G45.5Very low73.8Confident78 Ų7876.3 Ų76.380%0.80440%0.399SS*.PPolyproline II helixtrans-62.1136.5176.800000109.4E4G2-E4 PolarHBondContact O-N 3.13Å
3K50.5Low75Confident205 Ų20570.5 Ų70.589%0.89137%0.369SS*.PPolyproline II helixtrans-55127.2175.3-77.5-179.7175.1179.30108.7K5K3-K5 PolarHBondContact O-N 3.15Å
4E73.7Confident76Confident188 Ų18865.4 Ų65.488%0.87934%0.343SS*.PPolyproline II helixtrans-59119.6176.8-160.7172.2-168.300108.9G2G2-E4 PolarHBondContact O-N 3.13Å
5K80.3Confident76.7Confident61 Ų6164.1 Ų64.127%0.26533%0.334SS..PPolyproline II helixtrans-71.8141.8-178-65.6178.4-177.5176.50109.5K3 E78 T79 K81 Y83K3-K5 PolarHBondContact O-N 3.15Å; K5-E78 IonicContact NZ-OE2 2.72Å; K5-E78 PolarHBondContact NZ-OE2 2.83Å; K5-T79 WeakPolarHBondContact CE-O 3.33Å; K5-T79 PolarHBondContact NZ-O 2.77Å; K5-K81 WeakPolarHBondContact CB-O 3.49Å; K5-Y83 HydrophobicContact CB-CD2 3.6Å; K5-Y83 HydrophobicContact CB-CE2 3.67Å; K5-Y83 HydrophobicContact CB-CG 4.31Å; K5-Y83 HydrophobicContact CD-CE2 4.49Å; K5-Y83 HydrophobicContact CG-CE2 4.4Å; K5-Y83 WeakPolarHBondContact O-CD2 3.48Å
6T81.8Confident77Confident58 Ų5862 Ų6236%0.35633%0.325SS..EExtended strand (participates in β ladder)trans-73.7138.9178.2-570000110.3Y82 Y83T6-Y82 HydrophobicContact CG2-CD1 4.41Å; T6-Y82 HydrophobicContact CG2-CE1 4.37Å; T6-Y82 CarbonylContact O-C 3.57Å; T6-Y82 VanDerWaalsContact O-CA 3.25Å; T6-Y82 WeakPolarHBondContact O-CA 3.09Å; T6-Y82 WeakPolarHBondContact O-CD1 3.36Å; T6-Y83 PolarHBondContact O-N 2.84Å
7H79.8Confident77.3Confident61 Ų6164.9 Ų64.928%0.28234%0.34SS..EExtended strand (participates in β ladder)trans-83.3131.1175-167-91.7000111.8N9 Y83 T85 R237H7-N9 PolarHBondContact CE1-OD1 3.38Å; H7-Y83 CarbonylContact C-O 3.47Å; H7-Y83 VanDerWaalsContact CA-O 3.3Å; H7-Y83 WeakPolarHBondContact CA-O 3.21Å; H7-T85 PolarHBondContact CE1-OG1 3.4Å; H7-T85 PolarHBondContact NE2-OG1 2.93Å; H7-R237 PolarHBondContact O-NH2 3.45Å
8I85.1Confident77.9Confident0 Ų061.4 Ų61.40%032%0.322CS..EExtended strand (participates in β ladder)trans-129.1144.1174.765.7176.2000111.3I10 Y82 Y83 V84 T85 I232I8-I10 HydrophobicContact CD1-CD1 3.99Å; I8-I10 HydrophobicContact CD1-CG1 4.34Å; I8-I10 HydrophobicContact CG1-CD1 4.47Å; I8-I10 HydrophobicContact CG1-CG1 4.42Å; I8-Y82 HydrophobicContact CD1-CD1 4.42Å; I8-Y82 HydrophobicContact CD1-CD2 3.73Å; I8-Y82 HydrophobicContact CD1-CE2 4.39Å; I8-Y82 HydrophobicContact CD1-CG 3.74Å; I8-Y82 HydrophobicContact CG1-CG 4.18Å; I8-Y82 HydrophobicContact CG2-CD1 3.76Å; I8-Y82 HydrophobicContact CG2-CE1 4.09Å; I8-Y82 HydrophobicContact CG2-CG 4.13Å; I8-Y83 PolarHBondContact N-O 2.86Å; I8-V84 HydrophobicContact CD1-CG2 3.91Å; I8-V84 HydrophobicContact CG1-CB 4.32Å; I8-V84 HydrophobicContact CG1-CG1 4.29Å; I8-V84 HydrophobicContact CG1-CG2 3.81Å; I8-V84 WeakPolarHBondContact O-CA 2.93Å; I8-T85 PolarHBondContact O-N 3.49Å; I8-I232 HydrophobicContact CD1-CB 4.26Å; I8-I232 HydrophobicContact CD1-CD1 3.84Å; I8-I232 HydrophobicContact CD1-CG2 4.27Å
9N83.7Confident78.4Confident13 Ų1358.9 Ų58.97%0.0731%0.313CS..EExtended strand (participates in β ladder)trans-104.3127.7176.2-66-25.8000109.8H7 T85 I87 Q105 D107 C108H7-N9 PolarHBondContact CE1-OD1 3.38Å; N9-T85 WeakPolarHBondContact CA-O 3.42Å; N9-I87 HydrophobicContact CB-CD1 4.31Å; N9-Q105 WeakPolarHBondContact CB-O 3.4Å; N9-Q105 PolarHBondContact ND2-O 2.99Å; N9-D107 PolarHBondContact N-OD2 2.75Å; N9-D107 PolarHBondContact O-N 3.5Å; N9-C108 PolarHBondContact O-N 3.43Å
10I89.3Confident78.9Confident4 Ų456.6 Ų56.62%0.02130%0.3CS..EExtended strand (participates in β ladder)trans-121.9127.4-179.1-59-173.9000109.4I8 V84 T85 I86 I87 C108 V110 L229 I232I8-I10 HydrophobicContact CD1-CD1 3.99Å; I8-I10 HydrophobicContact CD1-CG1 4.34Å; I8-I10 HydrophobicContact CG1-CD1 4.47Å; I8-I10 HydrophobicContact CG1-CG1 4.42Å; I10-V84 HydrophobicContact CB-CG1 4.31Å; I10-V84 HydrophobicContact CD1-CG1 3.5Å; I10-V84 VanDerWaalsContact CD1-CG1 3.5Å; I10-V84 HydrophobicContact CG1-CG1 3.81Å; I10-T85 PolarHBondContact N-O 2.9Å; I10-I86 CarbonylContact O-C 3.5Å; I10-I86 WeakPolarHBondContact O-CA 3.32Å; I10-I87 PolarHBondContact O-N 3.24Å; I10-C108 WeakPolarHBondContact CA-O 3.46Å; I10-V110 HydrophobicContact CG2-CB 4.41Å; I10-V110 HydrophobicContact CG2-CG2 3.54Å; I10-L229 HydrophobicContact CD1-CD2 3.57Å; I10-L229 HydrophobicContact CD1-CG 4.47Å; I10-I232 HydrophobicContact CD1-CD1 3.42Å; I10-I232 VanDerWaalsContact CD1-CD1 3.42Å; I10-I232 HydrophobicContact CG1-CD1 4.08Å
11V88.4Confident79.1Confident0 Ų054.7 Ų54.70%029%0.291CS..EExtended strand (participates in β ladder)trans-99129.7171.367.10000110.4I13 I87 A89 T103 A106 C108 A109 V110V11-I13 HydrophobicContact CB-CG2 4.48Å; V11-I13 HydrophobicContact CG1-CG2 4.08Å; V11-I13 HydrophobicContact CG2-CG2 3.8Å; V11-I87 WeakPolarHBondContact CA-O 3.37Å; V11-I87 HydrophobicContact CB-CB 4.39Å; V11-I87 HydrophobicContact CG2-CB 4.39Å; V11-I87 HydrophobicContact CG2-CG2 4.16Å; V11-A89 HydrophobicContact CG2-CB 3.67Å; V11-T103 HydrophobicContact CG1-CG2 4.25Å; V11-A106 HydrophobicContact CB-CB 3.69Å; V11-A106 HydrophobicContact CG1-CB 3.52Å; V11-C108 PolarHBondContact N-O 3.32Å; V11-A109 HydrophobicContact CG1-CB 3.84Å; V11-A109 CarbonylContact O-C 3.52Å; V11-A109 WeakPolarHBondContact O-CA 3.27Å; V11-V110 PolarHBondContact O-N 3.36Å
12V89.9Confident81.5Confident7 Ų744.7 Ų44.74%0.04224%0.244CC..EExtended strand (participates in β ladder)trans-97.1121.4175.7-176.90000108.7K20 I86 I87 A89 V110 I112V12-K20 HydrophobicContact CG1-CB 3.98Å; V12-K20 HydrophobicContact CG1-CD 4.47Å; V12-K20 HydrophobicContact CG1-CG 4.1Å; V12-I86 HydrophobicContact CG2-CG2 3.7Å; V12-I87 PolarHBondContact N-O 2.88Å; V12-I87 VanDerWaalsContact N-O 3.1Å; V12-A89 WeakPolarHBondContact O-CB 3.49Å; V12-A89 PolarHBondContact O-N 3.28Å; V12-V110 HydrophobicContact CG2-CB 4.37Å; V12-I112 HydrophobicContact CG1-CG1 3.78Å
13I90.2Very high83.6Confident1 Ų141.1 Ų41.11%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-130.6157.8-171.764.3170000110.7V11 A89 M99 A109 V110 L111 I112 H133 A137V11-I13 HydrophobicContact CB-CG2 4.48Å; V11-I13 HydrophobicContact CG1-CG2 4.08Å; V11-I13 HydrophobicContact CG2-CG2 3.8Å; I13-A89 HydrophobicContact CG2-CB 4.46Å; I13-M99 HydrophobicContact CB-CE 3.9Å; I13-M99 HydrophobicContact CG2-CE 3.35Å; I13-A109 HydrophobicContact CD1-CB 3.95Å; I13-A109 HydrophobicContact CG1-CB 4.39Å; I13-V110 PolarHBondContact N-O 3.43Å; I13-L111 HydrophobicContact CD1-CB 4.43Å; I13-L111 HydrophobicContact CD1-CD1 4.03Å; I13-L111 HydrophobicContact CG1-CB 4.15Å; I13-L111 HydrophobicContact CG1-CD1 3.8Å; I13-L111 CarbonylContact O-C 3.48Å; I13-L111 WeakPolarHBondContact O-CA 3.26Å; I13-I112 PolarHBondContact O-N 2.66Å; I13-H133 HydrophobicContact CB-CB 4.08Å; I13-H133 HydrophobicContact CD1-CB 4.15Å; I13-H133 HydrophobicContact CG1-CB 4.49Å; I13-A137 HydrophobicContact CD1-CB 3.96Å
14G88.7Confident85.4Confident0 Ų031.4 Ų31.40%016%0.164CC..EExtended strand (participates in β ladder)trans149.6169-177.100000113.1K20 I112 H133G14-K20 PolarHBondContact O-NZ 3.25Å; G14-I112 WeakPolarHBondContact CA-O 3.37Å; G14-H133 PolarHBondContact N-ND1 3.25Å; G14-H133 PolarHBondContact O-CE1 2.65Å; G14-H133 PolarHBondContact O-ND1 2.95Å; G14-H133 VanDerWaalsContact O-ND1 3.1Å
15H85.9Confident85.9Confident45 Ų4522.4 Ų22.421%0.20812%0.122CC..  trans-60.2159.4-177.7-164.844000113.1S18 K20 Q129H15-S18 WeakPolarHBondContact O-CB 3.32Å; H15-S18 PolarHBondContact O-N 2.79Å; H15-S18 PolarHBondContact O-OG 3.08Å; H15-K20 PolarHBondContact O-NZ 3.17Å; H15-Q129 PolarHBondContact ND1-N 2.97Å; H15-Q129 PolarHBondContact ND1-OE1 3.37Å
16V81.8Confident86.2Confident31 Ų3119.9 Ų19.919%0.18811%0.111CC..THydrogen-bonded Turntrans-53142.7165-169.60000108.8S18 I68V16-S18 PolarHBondContact O-N 3.25Å; V16-I68 HydrophobicContact CG1-CG2 4.18Å
17D82.8Confident86.4Confident111 Ų11117.5 Ų17.559%0.59410%0.096SC*.THydrogen-bonded Turntrans60.85.6-179.3-53.8-34000117.1G19 K151D17-G19 PolarHBondContact O-N 3.45Å; D17-K151 WeakPolarHBondContact O-CE 3.27Å; D17-K151 PolarHBondContact O-NZ 3.37Å
18S88.2Confident86.6Confident2 Ų214.6 Ų14.61%0.0148%0.083CC..SBendtrans-64.7-10172.259.30000114H15 V16 I112 N150H15-S18 WeakPolarHBondContact O-CB 3.32Å; H15-S18 PolarHBondContact O-N 2.79Å; H15-S18 PolarHBondContact O-OG 3.08Å; V16-S18 PolarHBondContact O-N 3.25Å; S18-I112 WeakPolarHBondContact O-CG2 3.27Å; S18-N150 PolarHBondContact O-ND2 3.02Å
19G87.8Confident86.4Confident14 Ų1417.6 Ų17.614%0.14410%0.095CC..  trans88.621178.100000115D17 S21 T22 T23D17-G19 PolarHBondContact O-N 3.45Å; G19-S21 PolarHBondContact O-N 3Å; G19-T22 PolarHBondContact O-N 2.97Å; G19-T23 WeakPolarHBondContact O-CB 3.37Å; G19-T23 PolarHBondContact O-N 3.01Å; G19-T23 PolarHBondContact O-OG1 3.12Å
20K87.6Confident86.3Confident12 Ų1222.6 Ų22.65%0.05212%0.116CC..Hα-helixtrans-45.4-59.8175-66-175.4-62.4-67.40112.7V12 G14 H15 T22 T23 T24 I112V12-K20 HydrophobicContact CG1-CB 3.98Å; V12-K20 HydrophobicContact CG1-CD 4.47Å; V12-K20 HydrophobicContact CG1-CG 4.1Å; G14-K20 PolarHBondContact O-NZ 3.25Å; H15-K20 PolarHBondContact O-NZ 3.17Å; K20-T22 VanDerWaalsContact C-N 3.33Å; K20-T22 PolarHBondContact O-N 3.07Å; K20-T23 PolarHBondContact O-N 3.23Å; K20-T24 WeakPolarHBondContact O-CB 3.49Å; K20-T24 PolarHBondContact O-N 2.92Å; K20-T24 PolarHBondContact O-OG1 3.44Å; K20-I112 HydrophobicContact CG-CB 4.07Å; K20-I112 HydrophobicContact CG-CG1 4.21Å
21S83.5Confident85.9Confident17 Ų1723.6 Ų23.612%0.11912%0.123CC..Hα-helixtrans-66.3-36.2-173.8-420000112G19 G25 L57 T69 D88G19-S21 PolarHBondContact O-N 3Å; S21-G25 PolarHBondContact O-N 2.64Å; S21-L57 WeakPolarHBondContact O-CD1 3.46Å; S21-T69 PolarHBondContact OG-OG1 3.03Å; S21-D88 PolarHBondContact OG-OD2 2.73Å
22T87.1Confident85Confident30 Ų3026.4 Ų26.418%0.18415%0.152CC..Hα-helixtrans-62.8-49.9173.7-53.40000111.3G19 K20 G25 H26 Y53 W193G19-T22 PolarHBondContact O-N 2.97Å; K20-T22 VanDerWaalsContact C-N 3.33Å; K20-T22 PolarHBondContact O-N 3.07Å; T22-G25 PolarHBondContact O-N 3.2Å; T22-H26 WeakPolarHBondContact O-CB 3.1Å; T22-H26 PolarHBondContact O-N 2.85Å; T22-Y53 HydrophobicContact CG2-CD2 4.23Å; T22-Y53 WeakPolarHBondContact O-CB 3.41Å; T22-W193 HydrophobicContact CG2-CE3 3.93Å
23T89.8Confident83.8Confident3 Ų327.3 Ų27.32%0.01816%0.163CC..Hα-helixtrans-61.6-46.8179.3-60.90000111.3G19 K20 H26 L27 I112 N150 I190 M198 L225G19-T23 WeakPolarHBondContact O-CB 3.37Å; G19-T23 PolarHBondContact O-N 3.01Å; G19-T23 PolarHBondContact O-OG1 3.12Å; K20-T23 PolarHBondContact O-N 3.23Å; T23-H26 PolarHBondContact O-N 2.94Å; T23-L27 PolarHBondContact O-N 2.82Å; T23-I112 HydrophobicContact CG2-CD1 4.01Å; T23-N150 PolarHBondContact OG1-ND2 2.87Å; T23-I190 HydrophobicContact CG2-CD1 3.79Å; T23-M198 HydrophobicContact CG2-CE 3.47Å; T23-M198 VanDerWaalsContact CG2-CE 3.47Å; T23-M198 HydrophobicContact CG2-SD 3.92Å; T23-M198 VanDerWaalsContact O-CE 3.31Å; T23-M198 WeakPolarHBondContact O-CE 3.47Å; T23-L225 HydrophobicContact CG2-CD2 3.98Å
24T87.6Confident82.8Confident1 Ų128 Ų281%0.00617%0.166CC..Hα-helixtrans-62.7-47.4178-620000111.6K20 H26 L27 I28 L57 I86K20-T24 WeakPolarHBondContact O-CB 3.49Å; K20-T24 PolarHBondContact O-N 2.92Å; K20-T24 PolarHBondContact O-OG1 3.44Å; T24-H26 VanDerWaalsContact C-N 3.3Å; T24-H26 PolarHBondContact O-N 2.79Å; T24-L27 PolarHBondContact O-N 2.85Å; T24-I28 HydrophobicContact CG2-CD1 3.77Å; T24-I28 WeakPolarHBondContact O-CD1 3.21Å; T24-I28 VanDerWaalsContact O-CG1 3.32Å; T24-I28 WeakPolarHBondContact O-CG1 3.37Å; T24-I28 PolarHBondContact O-N 3.42Å; T24-L57 HydrophobicContact CG2-CD1 3.5Å; T24-L57 HydrophobicContact CG2-CD2 4Å; T24-L57 HydrophobicContact CG2-CG 4.39Å; T24-I86 HydrophobicContact CG2-CB 4.36Å; T24-I86 HydrophobicContact CG2-CD1 3.78Å; T24-I86 HydrophobicContact CG2-CG2 3.67Å
25G84.5Confident81.9Confident0 Ų032.2 Ų32.20%019%0.189CC..Hα-helixtrans-63.4-36.3178.600000112.6S21 T22 I28 Y29 Y53S21-G25 PolarHBondContact O-N 2.64Å; T22-G25 PolarHBondContact O-N 3.2Å; G25-I28 PolarHBondContact O-N 2.96Å; G25-Y29 VanDerWaalsContact O-CB 3.27Å; G25-Y29 WeakPolarHBondContact O-CB 3.33Å; G25-Y29 PolarHBondContact O-N 2.68Å; G25-Y53 WeakPolarHBondContact CA-O 3.07Å
26H86.8Confident81.1Confident7 Ų738.2 Ų38.23%0.03221%0.214CC..Hα-helixtrans-64.4-46.7175.1-162136000110.9T22 T23 T24 I28 Y29 K30 Y53 G192 G195 M198T22-H26 WeakPolarHBondContact O-CB 3.1Å; T22-H26 PolarHBondContact O-N 2.85Å; T23-H26 PolarHBondContact O-N 2.94Å; T24-H26 VanDerWaalsContact C-N 3.3Å; T24-H26 PolarHBondContact O-N 2.79Å; H26-I28 VanDerWaalsContact C-N 3.35Å; H26-I28 PolarHBondContact O-N 2.88Å; H26-Y29 PolarHBondContact O-N 3.05Å; H26-K30 VanDerWaalsContact CD2-CG 3.42Å; H26-K30 WeakPolarHBondContact CD2-CG 3.34Å; H26-K30 WeakPolarHBondContact O-CB 3.34Å; H26-K30 PolarHBondContact O-N 3.2Å; H26-Y53 HydrophobicContact CB-CD1 4.09Å; H26-Y53 HydrophobicContact CB-CD2 4.23Å; H26-Y53 HydrophobicContact CB-CE1 4.41Å; H26-Y53 HydrophobicContact CB-CG 3.99Å; H26-Y53 AromaticContact CE1-CE2 3.93Å; H26-Y53 AromaticContact CE1-CZ 3.81Å; H26-Y53 AromaticContact ND1-CD2 3.85Å; H26-Y53 AromaticContact ND1-CE2 3.43Å; H26-Y53 WeakPolarHBondContact ND1-CE2 3.46Å; H26-Y53 AromaticContact ND1-CZ 3.61Å; H26-G192 PolarHBondContact ND1-O 3.18Å; H26-G195 WeakPolarHBondContact CE1-CA 3.35Å; H26-M198 HydrophobicContact CB-CE 4.27Å
27L86.2Confident80.6Confident8 Ų846.6 Ų46.64%0.04224%0.242CC..Hα-helixtrans-57-48.7175.9-75.7170.7000111.4T23 T24 Y29 K30 C31 M198 L199 L225 L229T23-L27 PolarHBondContact O-N 2.82Å; T24-L27 PolarHBondContact O-N 2.85Å; L27-Y29 VanDerWaalsContact C-N 3.35Å; L27-Y29 PolarHBondContact O-N 2.77Å; L27-K30 PolarHBondContact O-N 2.88Å; L27-C31 WeakPolarHBondContact O-CB 3.22Å; L27-C31 PolarHBondContact O-N 2.9Å; L27-C31 PolarHBondContact O-SG 2.93Å; L27-M198 HydrophobicContact CD1-CE 4.23Å; L27-M198 HydrophobicContact CD2-CE 3.83Å; L27-M198 HydrophobicContact CG-CE 3.55Å; L27-L199 HydrophobicContact CD2-CD1 4.15Å; L27-L225 HydrophobicContact CD1-CD2 3.97Å; L27-L229 HydrophobicContact CD1-CD1 4.21Å
28I83.6Confident79.9Confident0 Ų043.6 Ų43.60%023%0.228CC..Hα-helixtrans-62.2-44.8-179.1-67.4160.9000110.7T24 G25 H26 G32 G33 I34 V56 L57 W75 I86T24-I28 HydrophobicContact CG2-CD1 3.77Å; T24-I28 WeakPolarHBondContact O-CD1 3.21Å; T24-I28 VanDerWaalsContact O-CG1 3.32Å; T24-I28 WeakPolarHBondContact O-CG1 3.37Å; T24-I28 PolarHBondContact O-N 3.42Å; G25-I28 PolarHBondContact O-N 2.96Å; H26-I28 VanDerWaalsContact C-N 3.35Å; H26-I28 PolarHBondContact O-N 2.88Å; I28-G32 PolarHBondContact O-N 3.05Å; I28-G33 PolarHBondContact O-N 3.11Å; I28-I34 HydrophobicContact CG2-CD1 3.86Å; I28-I34 HydrophobicContact CG2-CG1 3.69Å; I28-V56 HydrophobicContact CG2-CG1 4.44Å; I28-L57 HydrophobicContact CD1-CD2 3.54Å; I28-W75 HydrophobicContact CD1-CB 3.4Å; I28-W75 VanDerWaalsContact CD1-CB 3.4Å; I28-W75 HydrophobicContact CD1-CD2 4.15Å; I28-W75 HydrophobicContact CD1-CG 3.59Å; I28-W75 HydrophobicContact CG1-CB 4.08Å; I28-W75 HydrophobicContact CG2-CE3 4.27Å; I28-I86 HydrophobicContact CD1-CD1 4.43Å; I28-I86 HydrophobicContact CG1-CD1 4.19Å
29Y81.8Confident78.9Confident64 Ų6444.6 Ų44.625%0.25123%0.233SC..Hα-helixtrans-60.4-48.5178.8179.6-100000111.7G25 H26 L27 I39 F51 Y53G25-Y29 VanDerWaalsContact O-CB 3.27Å; G25-Y29 WeakPolarHBondContact O-CB 3.33Å; G25-Y29 PolarHBondContact O-N 2.68Å; H26-Y29 PolarHBondContact O-N 3.05Å; L27-Y29 VanDerWaalsContact C-N 3.35Å; L27-Y29 PolarHBondContact O-N 2.77Å; Y29-I39 HydrophobicContact CD2-CD1 3.96Å; Y29-I39 HydrophobicContact CD2-CG1 4.22Å; Y29-I39 HydrophobicContact CE2-CD1 3.77Å; Y29-I39 HydrophobicContact CE2-CG1 4.04Å; Y29-I39 HydrophobicContact CE2-CG2 3.72Å; Y29-F51 AromaticContact CD2-CE1 3.57Å; Y29-F51 HydrophobicContact CD2-CE1 3.57Å; Y29-F51 AromaticContact CD2-CZ 3.72Å; Y29-F51 HydrophobicContact CD2-CZ 3.72Å; Y29-F51 AromaticContact CE2-CE1 3.54Å; Y29-F51 HydrophobicContact CE2-CE1 3.54Å; Y29-F51 HydrophobicContact CE2-CE2 4.37Å; Y29-F51 AromaticContact CE2-CZ 3.4Å; Y29-F51 HydrophobicContact CE2-CZ 3.4Å; Y29-F51 VanDerWaalsContact CE2-CZ 3.4Å; Y29-F51 HydrophobicContact CG-CE1 4.15Å; Y29-Y53 AromaticContact CD1-CE1 3.94Å; Y29-Y53 HydrophobicContact CD1-CE1 3.94Å; Y29-Y53 HydrophobicContact CG-CE1 4.16Å
30K80.9Confident78Confident118 Ų11849.8 Ų49.851%0.51325%0.253SS..Hα-helixtrans-75.5-31.9-176.9-72.4-70.8-171.8169.60113.6H26 L27 G32 L199H26-K30 VanDerWaalsContact CD2-CG 3.42Å; H26-K30 WeakPolarHBondContact CD2-CG 3.34Å; H26-K30 WeakPolarHBondContact O-CB 3.34Å; H26-K30 PolarHBondContact O-N 3.2Å; L27-K30 PolarHBondContact O-N 2.88Å; K30-G32 VanDerWaalsContact C-N 3.25Å; K30-G32 PolarHBondContact O-N 2.86Å; K30-L199 HydrophobicContact CB-CD1 3.65Å; K30-L199 HydrophobicContact CB-CD2 3.59Å; K30-L199 HydrophobicContact CB-CG 4.29Å; K30-L199 HydrophobicContact CG-CD1 4.11Å
31C79.9Confident77.2Confident25 Ų2555.3 Ų55.317%0.16928%0.277CS..THydrogen-bonded Turntrans-8812.5-179.8-56.40000113.2L27 G33 F77L27-C31 WeakPolarHBondContact O-CB 3.22Å; L27-C31 PolarHBondContact O-N 2.9Å; L27-C31 PolarHBondContact O-SG 2.93Å; C31-G33 VanDerWaalsContact C-N 3.34Å; C31-G33 PolarHBondContact O-N 2.93Å; C31-F77 HydrophobicContact CB-CB 3.9Å; C31-F77 HydrophobicContact CB-CD2 3.46Å; C31-F77 VanDerWaalsContact CB-CD2 3.46Å; C31-F77 HydrophobicContact CB-CE2 4.36Å; C31-F77 HydrophobicContact CB-CG 4.03Å
32G69.8Low76.3Confident59 Ų5957 Ų5761%0.60828%0.283SS*.THydrogen-bonded Turntrans72.421.9173.500000114.9I28 K30 I34I28-G32 PolarHBondContact O-N 3.05Å; K30-G32 VanDerWaalsContact C-N 3.25Å; K30-G32 PolarHBondContact O-N 2.86Å; G32-I34 PolarHBondContact O-N 3.12Å
33G66.4Low75.2Confident26 Ų2658.7 Ų58.727%0.26829%0.289SS..  trans-73-2.9178.300000114.6I28 C31 K76I28-G33 PolarHBondContact O-N 3.11Å; C31-G33 VanDerWaalsContact C-N 3.34Å; C31-G33 PolarHBondContact O-N 2.93Å; G33-K76 WeakPolarHBondContact CA-O 3.47Å
34I69.1Low74Confident16 Ų1667.5 Ų67.58%0.08233%0.327CS..SBendtrans-128.6134.5177.5-54.1160.6000108.3I28 G32 T38 I39 V56 W75I28-I34 HydrophobicContact CG2-CD1 3.86Å; I28-I34 HydrophobicContact CG2-CG1 3.69Å; G32-I34 PolarHBondContact O-N 3.12Å; I34-T38 HydrophobicContact CG2-CG2 3.65Å; I34-I39 HydrophobicContact CB-CD1 4.24Å; I34-I39 HydrophobicContact CB-CG1 4.07Å; I34-I39 HydrophobicContact CG2-CD1 4.4Å; I34-I39 HydrophobicContact CG2-CG1 3.74Å; I34-V56 HydrophobicContact CD1-CB 4.35Å; I34-V56 HydrophobicContact CD1-CG1 3.41Å; I34-V56 VanDerWaalsContact CD1-CG1 3.41Å; I34-V56 HydrophobicContact CD1-CG2 3.97Å; I34-V56 HydrophobicContact CG1-CG1 4.39Å; I34-W75 HydrophobicContact CG1-CZ3 4.26Å
35D69.4Low72.7Confident87 Ų8773.1 Ų73.147%0.46535%0.353SS..  trans-67147175.570.2-82.9000111.6R37 T38 I39D35-R37 PolarHBondContact O-N 3.24Å; D35-R37 VanDerWaalsContact O-N 3.14Å; D35-R37 WeakPolarHBondContact OD2-CB 3.4Å; D35-R37 PolarHBondContact OD2-N 3.45Å; D35-T38 VanDerWaalsContact CG-OG1 3.22Å; D35-T38 PolarHBondContact O-N 2.98Å; D35-T38 VanDerWaalsContact O-N 3.12Å; D35-T38 WeakPolarHBondContact OD1-CB 3.31Å; D35-T38 PolarHBondContact OD1-OG1 3.15Å; D35-T38 PolarHBondContact OD2-N 2.79Å; D35-T38 PolarHBondContact OD2-OG1 3.41Å; D35-T38 VanDerWaalsContact OD2-OG1 3.13Å; D35-I39 PolarHBondContact O-N 2.65Å; D35-I39 VanDerWaalsContact O-N 3.11Å
36K68.9Low71.2Confident171 Ų17176.5 Ų76.574%0.74337%0.37SS*.Hα-helixtrans-56.4-33.2-177.1-71.2-175.8177-1790113.4I39 E40K36-I39 WeakPolarHBondContact O-CB 3.47Å; K36-I39 PolarHBondContact O-N 2.94Å; K36-E40 WeakPolarHBondContact O-CB 3.25Å; K36-E40 VanDerWaalsContact O-CG 3.29Å; K36-E40 WeakPolarHBondContact O-CG 3.45Å; K36-E40 PolarHBondContact O-N 3.29Å
37R70.6Confident69.4Low207 Ų20778.2 Ų78.278%0.78139%0.389SS*.Hα-helixtrans-70.5-38-178.8-176.8-176.6-179.4-179.31.1111.6D35 K41D35-R37 PolarHBondContact O-N 3.24Å; D35-R37 VanDerWaalsContact O-N 3.14Å; D35-R37 WeakPolarHBondContact OD2-CB 3.4Å; D35-R37 PolarHBondContact OD2-N 3.45Å; R37-K41 WeakPolarHBondContact O-CB 3.32Å; R37-K41 PolarHBondContact O-N 3.2Å
38T68.6Low67.3Low48 Ų4887.7 Ų87.729%0.29443%0.43SS..Hα-helixtrans-67.7-40.2173.5-650000111.3I34 D35 K41 F42I34-T38 HydrophobicContact CG2-CG2 3.65Å; D35-T38 VanDerWaalsContact CG-OG1 3.22Å; D35-T38 PolarHBondContact O-N 2.98Å; D35-T38 VanDerWaalsContact O-N 3.12Å; D35-T38 WeakPolarHBondContact OD1-CB 3.31Å; D35-T38 PolarHBondContact OD1-OG1 3.15Å; D35-T38 PolarHBondContact OD2-N 2.79Å; D35-T38 PolarHBondContact OD2-OG1 3.41Å; D35-T38 VanDerWaalsContact OD2-OG1 3.13Å; T38-K41 PolarHBondContact O-N 2.8Å; T38-F42 HydrophobicContact CG2-CD2 3.81Å; T38-F42 HydrophobicContact CG2-CE2 3.31Å; T38-F42 HydrophobicContact CG2-CZ 4.05Å; T38-F42 WeakPolarHBondContact O-CD2 3.29Å; T38-F42 WeakPolarHBondContact O-CG 3.49Å; T38-F42 PolarHBondContact O-N 2.68Å
39I67.4Low65.4Low24 Ų2491.5 Ų91.512%0.12347%0.469CS..Hα-helixtrans-58.2-52.3172.5-68.5168.7000110.4Y29 I34 D35 K36 K41 F42 E43 F51Y29-I39 HydrophobicContact CD2-CD1 3.96Å; Y29-I39 HydrophobicContact CD2-CG1 4.22Å; Y29-I39 HydrophobicContact CE2-CD1 3.77Å; Y29-I39 HydrophobicContact CE2-CG1 4.04Å; Y29-I39 HydrophobicContact CE2-CG2 3.72Å; I34-I39 HydrophobicContact CB-CD1 4.24Å; I34-I39 HydrophobicContact CB-CG1 4.07Å; I34-I39 HydrophobicContact CG2-CD1 4.4Å; I34-I39 HydrophobicContact CG2-CG1 3.74Å; D35-I39 PolarHBondContact O-N 2.65Å; D35-I39 VanDerWaalsContact O-N 3.11Å; K36-I39 WeakPolarHBondContact O-CB 3.47Å; K36-I39 PolarHBondContact O-N 2.94Å; I39-K41 VanDerWaalsContact C-N 3.28Å; I39-K41 PolarHBondContact O-N 3.21Å; I39-F42 PolarHBondContact O-N 2.99Å; I39-F42 VanDerWaalsContact O-N 3.11Å; I39-E43 HydrophobicContact CG2-CG 4.38Å; I39-E43 WeakPolarHBondContact O-CG 3.48Å; I39-E43 PolarHBondContact O-N 3.39Å; I39-F51 HydrophobicContact CG2-CE2 4.45Å; I39-F51 HydrophobicContact CG2-CZ 4.33Å
40E69.1Low63.6Low122 Ų12291 Ų9157%0.5747%0.474SS*.Hα-helixtrans-59.9-36.7179.4-74.8169.9-172.100112.6K36 E43 K44K36-E40 WeakPolarHBondContact O-CB 3.25Å; K36-E40 VanDerWaalsContact O-CG 3.29Å; K36-E40 WeakPolarHBondContact O-CG 3.45Å; K36-E40 PolarHBondContact O-N 3.29Å; E40-E43 PolarHBondContact O-N 2.85Å; E40-K44 VanDerWaalsContact O-CB 3.32Å; E40-K44 WeakPolarHBondContact O-CB 3.41Å; E40-K44 PolarHBondContact O-N 2.86Å
41K70.3Confident62Low128 Ų12888.1 Ų88.156%0.55746%0.462SS*.Hα-helixtrans-63.4-45.5174.9-173.4-177.3175.3-173.40111.4R37 T38 I39 K44 E45R37-K41 WeakPolarHBondContact O-CB 3.32Å; R37-K41 PolarHBondContact O-N 3.2Å; T38-K41 PolarHBondContact O-N 2.8Å; I39-K41 VanDerWaalsContact C-N 3.28Å; I39-K41 PolarHBondContact O-N 3.21Å; K41-K44 PolarHBondContact O-N 2.88Å; K41-E45 WeakPolarHBondContact CE-OE1 3.45Å; K41-E45 PolarHBondContact O-N 3.14Å; K41-E45 VanDerWaalsContact O-N 3.14Å
42F65.5Low61.2Low52 Ų5292.7 Ų92.723%0.22848%0.479CS..Hα-helixtrans-66.1-38.9177.3-69.8-48000112.3T38 I39 K44 E45 M46 W55T38-F42 HydrophobicContact CG2-CD2 3.81Å; T38-F42 HydrophobicContact CG2-CE2 3.31Å; T38-F42 HydrophobicContact CG2-CZ 4.05Å; T38-F42 WeakPolarHBondContact O-CD2 3.29Å; T38-F42 WeakPolarHBondContact O-CG 3.49Å; T38-F42 PolarHBondContact O-N 2.68Å; I39-F42 PolarHBondContact O-N 2.99Å; I39-F42 VanDerWaalsContact O-N 3.11Å; F42-K44 VanDerWaalsContact C-N 3.29Å; F42-K44 PolarHBondContact O-N 3.23Å; F42-E45 PolarHBondContact O-N 3.25Å; F42-M46 PolarHBondContact O-N 2.82Å; F42-W55 HydrophobicContact CD1-CE3 4.47Å; F42-W55 HydrophobicContact CD1-CZ3 4.32Å; F42-W55 HydrophobicContact CE1-CZ3 4.47Å
43E63.3Low61Low66 Ų6691.6 Ų91.631%0.30846%0.457SS..Hα-helixtrans-62.7-36.5174.4-69.6-176173.700112.2I39 E40 G47 F51I39-E43 HydrophobicContact CG2-CG 4.38Å; I39-E43 WeakPolarHBondContact O-CG 3.48Å; I39-E43 PolarHBondContact O-N 3.39Å; E40-E43 PolarHBondContact O-N 2.85Å; E43-G47 PolarHBondContact O-N 2.88Å; E43-G47 VanDerWaalsContact O-N 3.11Å; E43-F51 HydrophobicContact CG-CD2 3.84Å; E43-F51 HydrophobicContact CG-CE2 3.52Å
44K64.1Low60.5Low188 Ų18891.4 Ų91.482%0.81745%0.453SS*.Hα-helixtrans-74.6-33.6-178.5-162.9176.5-175.9179.70113.3E40 K41 F42 M46E40-K44 VanDerWaalsContact O-CB 3.32Å; E40-K44 WeakPolarHBondContact O-CB 3.41Å; E40-K44 PolarHBondContact O-N 2.86Å; K41-K44 PolarHBondContact O-N 2.88Å; F42-K44 VanDerWaalsContact C-N 3.29Å; F42-K44 PolarHBondContact O-N 3.23Å; K44-M46 VanDerWaalsContact C-N 3.33Å
45E60.4Low60.1Low119 Ų11993.7 Ų93.756%0.55646%0.46SS*.Hα-helixtrans-72.3-23.5176.8-77.3179.9-174.300113K41 F42K41-E45 WeakPolarHBondContact CE-OE1 3.45Å; K41-E45 PolarHBondContact O-N 3.14Å; K41-E45 VanDerWaalsContact O-N 3.14Å; F42-E45 PolarHBondContact O-N 3.25Å
46M53.8Low59.8Low72 Ų7290 Ų9036%0.35544%0.441SS..Hα-helixtrans-116.6-10.5-170.2-63.4-162.968.200115.8F42 K44 S50 W55F42-M46 PolarHBondContact O-N 2.82Å; K44-M46 VanDerWaalsContact C-N 3.33Å; M46-S50 PolarHBondContact O-OG 3.34Å; M46-W55 HydrophobicContact SD-CD2 4Å; M46-W55 HydrophobicContact SD-CE3 4.05Å; M46-W55 HydrophobicContact SD-CG 4.42Å; M46-W55 HydrophobicContact SD-CH2 4.47Å; M46-W55 HydrophobicContact SD-CZ2 4.48Å; M46-W55 HydrophobicContact SD-CZ3 4.28Å
47G47.9Very low59.3Low42 Ų4282 Ų8243%0.43341%0.406SS..  trans84150.5-176.400000113.1E43 G49E43-G47 PolarHBondContact O-N 2.88Å; E43-G47 VanDerWaalsContact O-N 3.11Å; G47-G49 PolarHBondContact O-N 3.04Å
48K42.6Very low58.9Low208 Ų20872.6 Ų72.690%0.90437%0.372SS*.THydrogen-bonded Turntrans-7492.8-178.5-70.1-177.5175.6-177.20110.5
49G43.4Very low58.5Low79 Ų7976.9 Ų76.981%0.81439%0.386SS*.THydrogen-bonded Turntrans162.3-17.9170.900000115.8G47G47-G49 PolarHBondContact O-N 3.04Å
50S44.3Very low57.8Low53 Ų5379.6 Ų79.637%0.37140%0.4SS..  trans-123.545.4-172.7430000112.2M46 K52M46-S50 PolarHBondContact O-OG 3.34Å; S50-K52 PolarHBondContact O-N 3.41Å
51F46.6Very low56.9Low59 Ų5981.1 Ų81.126%0.25941%0.405SS..  trans-64104173.1-148.7-97.6000109Y29 I39 E43 Y53Y29-F51 AromaticContact CD2-CE1 3.57Å; Y29-F51 HydrophobicContact CD2-CE1 3.57Å; Y29-F51 AromaticContact CD2-CZ 3.72Å; Y29-F51 HydrophobicContact CD2-CZ 3.72Å; Y29-F51 AromaticContact CE2-CE1 3.54Å; Y29-F51 HydrophobicContact CE2-CE1 3.54Å; Y29-F51 HydrophobicContact CE2-CE2 4.37Å; Y29-F51 AromaticContact CE2-CZ 3.4Å; Y29-F51 HydrophobicContact CE2-CZ 3.4Å; Y29-F51 VanDerWaalsContact CE2-CZ 3.4Å; Y29-F51 HydrophobicContact CG-CE1 4.15Å; I39-F51 HydrophobicContact CG2-CE2 4.45Å; I39-F51 HydrophobicContact CG2-CZ 4.33Å; E43-F51 HydrophobicContact CG-CD2 3.84Å; E43-F51 HydrophobicContact CG-CE2 3.52Å; F51-Y53 HydrophobicContact CD1-CD1 4.01Å; F51-Y53 AromaticContact CD1-CE1 3.82Å; F51-Y53 HydrophobicContact CD1-CE1 3.82Å; F51-Y53 HydrophobicContact CE1-CD1 4.14Å; F51-Y53 HydrophobicContact CE1-CE1 4.08Å
52K63.8Low56.1Low121 Ų12177.1 Ų77.153%0.52640%0.396SS..  trans-101.4101.4178.2-70.8-174-179.8-175.40108.3S50 A54 W55 W193S50-K52 PolarHBondContact O-N 3.41Å; K52-A54 PolarHBondContact O-N 2.86Å; K52-W55 VanDerWaalsContact O-CB 3.24Å; K52-W55 WeakPolarHBondContact O-CB 3.5Å; K52-W55 PolarHBondContact O-N 3.07Å; K52-W193 HydrophobicContact CG-CH2 4.11Å; K52-W193 HydrophobicContact CG-CZ3 4.33Å
53Y66.3Low55.7Low35 Ų3574.9 Ų74.914%0.13739%0.386CS..G310 helixtrans-50.2-29.4-179.1-61.3-69.1000114.3T22 G25 H26 Y29 F51 W55 V56T22-Y53 HydrophobicContact CG2-CD2 4.23Å; T22-Y53 WeakPolarHBondContact O-CB 3.41Å; G25-Y53 WeakPolarHBondContact CA-O 3.07Å; H26-Y53 HydrophobicContact CB-CD1 4.09Å; H26-Y53 HydrophobicContact CB-CD2 4.23Å; H26-Y53 HydrophobicContact CB-CE1 4.41Å; H26-Y53 HydrophobicContact CB-CG 3.99Å; H26-Y53 AromaticContact CE1-CE2 3.93Å; H26-Y53 AromaticContact CE1-CZ 3.81Å; H26-Y53 AromaticContact ND1-CD2 3.85Å; H26-Y53 AromaticContact ND1-CE2 3.43Å; H26-Y53 WeakPolarHBondContact ND1-CE2 3.46Å; H26-Y53 AromaticContact ND1-CZ 3.61Å; Y29-Y53 AromaticContact CD1-CE1 3.94Å; Y29-Y53 HydrophobicContact CD1-CE1 3.94Å; Y29-Y53 HydrophobicContact CG-CE1 4.16Å; F51-Y53 HydrophobicContact CD1-CD1 4.01Å; F51-Y53 AromaticContact CD1-CE1 3.82Å; F51-Y53 HydrophobicContact CD1-CE1 3.82Å; F51-Y53 HydrophobicContact CE1-CD1 4.14Å; F51-Y53 HydrophobicContact CE1-CE1 4.08Å; Y53-W55 VanDerWaalsContact C-N 3.25Å; Y53-W55 PolarHBondContact O-N 2.9Å; Y53-V56 WeakPolarHBondContact O-CB 3.37Å; Y53-V56 PolarHBondContact O-N 2.89Å
54A55.1Low55.5Low22 Ų2276 Ų7618%0.18239%0.388CS..G310 helixtrans-60-32.7173.800000113.5K52 V56 L57 D58K52-A54 PolarHBondContact O-N 2.86Å; A54-V56 PolarHBondContact O-N 3.23Å; A54-L57 PolarHBondContact O-N 2.84Å; A54-D58 PolarHBondContact O-N 3.04Å
55W61.4Low54.8Low64 Ų6473.6 Ų73.624%0.24238%0.38CS..G310 helixtrans-69.6-19.9-177.5-13177.7000113.7F42 M46 K52 Y53 L57 R64F42-W55 HydrophobicContact CD1-CE3 4.47Å; F42-W55 HydrophobicContact CD1-CZ3 4.32Å; F42-W55 HydrophobicContact CE1-CZ3 4.47Å; M46-W55 HydrophobicContact SD-CD2 4Å; M46-W55 HydrophobicContact SD-CE3 4.05Å; M46-W55 HydrophobicContact SD-CG 4.42Å; M46-W55 HydrophobicContact SD-CH2 4.47Å; M46-W55 HydrophobicContact SD-CZ2 4.48Å; M46-W55 HydrophobicContact SD-CZ3 4.28Å; K52-W55 VanDerWaalsContact O-CB 3.24Å; K52-W55 WeakPolarHBondContact O-CB 3.5Å; K52-W55 PolarHBondContact O-N 3.07Å; Y53-W55 VanDerWaalsContact C-N 3.25Å; Y53-W55 PolarHBondContact O-N 2.9Å; W55-L57 PolarHBondContact O-N 3.27Å; W55-R64 VanDerWaalsContact CH2-CZ 3.41Å; W55-R64 HydrophobicContact CZ2-CG 4.35Å; W55-R64 VanDerWaalsContact CZ3-CZ 3.45Å
56V62.6Low54.2Low10 Ų1076.4 Ų76.46%0.06139%0.385CS..G310 helixtrans-58.7-38.4169.9168.90000110.2I28 I34 Y53 A54 W75I28-V56 HydrophobicContact CG2-CG1 4.44Å; I34-V56 HydrophobicContact CD1-CB 4.35Å; I34-V56 HydrophobicContact CD1-CG1 3.41Å; I34-V56 VanDerWaalsContact CD1-CG1 3.41Å; I34-V56 HydrophobicContact CD1-CG2 3.97Å; I34-V56 HydrophobicContact CG1-CG1 4.39Å; Y53-V56 WeakPolarHBondContact O-CB 3.37Å; Y53-V56 PolarHBondContact O-N 2.89Å; A54-V56 PolarHBondContact O-N 3.23Å; V56-W75 HydrophobicContact CG1-CH2 4.25Å; V56-W75 HydrophobicContact CG1-CZ2 4.39Å; V56-W75 HydrophobicContact CG1-CZ3 4.45Å; V56-W75 WeakPolarHBondContact O-CH2 3.48Å; V56-W75 WeakPolarHBondContact O-CZ2 3.43Å
57L59.1Low54.3Low3 Ų375.5 Ų75.52%0.01639%0.394CS..THydrogen-bonded Turntrans-91.5-37.5-172.3-59.6173.6000112.3S21 T24 I28 A54 W55 K59 W75 D88S21-L57 WeakPolarHBondContact O-CD1 3.46Å; T24-L57 HydrophobicContact CG2-CD1 3.5Å; T24-L57 HydrophobicContact CG2-CD2 4Å; T24-L57 HydrophobicContact CG2-CG 4.39Å; I28-L57 HydrophobicContact CD1-CD2 3.54Å; A54-L57 PolarHBondContact O-N 2.84Å; W55-L57 PolarHBondContact O-N 3.27Å; L57-K59 PolarHBondContact O-N 2.88Å; L57-W75 HydrophobicContact CD2-CD2 4.17Å; L57-W75 HydrophobicContact CD2-CG 3.85Å; L57-D88 WeakPolarHBondContact CD1-OD2 3.43Å
58D61.5Low54.6Low10 Ų1075.2 Ų75.25%0.05338%0.382CS..  trans-76.492.7-176.5-63.2-25.1000110.7A54 E63 R64A54-D58 PolarHBondContact O-N 3.04Å; D58-E63 HydrophobicContact CB-CB 3.88Å; D58-R64 HydrophobicContact CB-CG 4.09Å; D58-R64 PolarHBondContact O-NE 2.66Å; D58-R64 PolarHBondContact O-NH2 3.36Å
59K59.9Low54.7Low138 Ų13865.6 Ų65.660%0.634%0.341SS*.  trans-86-28.1179.8-72.1-173.7-178.8176.20112.4L57 E63 W75L57-K59 PolarHBondContact O-N 2.88Å; K59-E63 PolarHBondContact N-OE2 3.46Å; K59-W75 VanDerWaalsContact CE-CZ2 3.45Å
60L52.3Low55.2Low80 Ų8063.1 Ų63.142%0.41931%0.309SS..SBendtrans-83.4138.2-177.3-67.3165.7000111A62 E63 R64 D71L60-A62 PolarHBondContact O-N 3.19Å; L60-E63 HydrophobicContact CB-CB 4.26Å; L60-E63 HydrophobicContact CB-CG 3.87Å; L60-E63 WeakPolarHBondContact CB-OE2 3.35Å; L60-E63 HydrophobicContact CD1-CG 4.33Å; L60-E63 PolarHBondContact N-OE2 2.82Å; L60-E63 WeakPolarHBondContact O-CB 3.32Å; L60-E63 PolarHBondContact O-N 3.09Å; L60-R64 PolarHBondContact O-N 2.98Å; L60-R64 VanDerWaalsContact O-N 3.17Å; L60-D71 HydrophobicContact CD1-CB 4.07Å
61K51.2Low55.5Low154 Ų15464.7 Ų64.767%0.6731%0.313SS*.Hα-helixtrans-55.6-36.7175-169178.8178.4-171.80112R64 E65K61-R64 PolarHBondContact O-N 2.99Å; K61-E65 WeakPolarHBondContact CE-OE1 3.28Å; K61-E65 WeakPolarHBondContact O-CG 3.17Å; K61-E65 PolarHBondContact O-N 3Å
62A52Low55.9Low44 Ų4464 Ų6436%0.36431%0.311SS..Hα-helixtrans-69.9-29.9176.900000114.2L60 R66 I70L60-A62 PolarHBondContact O-N 3.19Å; A62-R66 WeakPolarHBondContact O-CB 3.37Å; A62-R66 WeakPolarHBondContact O-CG 3.44Å; A62-R66 PolarHBondContact O-N 2.85Å; A62-I70 HydrophobicContact CB-CD1 4.08Å
63E58.1Low55.7Low6 Ų658.9 Ų58.93%0.02829%0.291CS..Hα-helixtrans-67.2-46.2172.3-71.8173.3149.700109.7D58 K59 L60 E65 R66 G67 I68 I70 D71D58-E63 HydrophobicContact CB-CB 3.88Å; K59-E63 PolarHBondContact N-OE2 3.46Å; L60-E63 HydrophobicContact CB-CB 4.26Å; L60-E63 HydrophobicContact CB-CG 3.87Å; L60-E63 WeakPolarHBondContact CB-OE2 3.35Å; L60-E63 HydrophobicContact CD1-CG 4.33Å; L60-E63 PolarHBondContact N-OE2 2.82Å; L60-E63 WeakPolarHBondContact O-CB 3.32Å; L60-E63 PolarHBondContact O-N 3.09Å; E63-E65 PolarHBondContact O-N 2.87Å; E63-R66 PolarHBondContact O-N 3.01Å; E63-G67 PolarHBondContact O-N 3.3Å; E63-I68 WeakPolarHBondContact CA-O 3.4Å; E63-I68 PolarHBondContact O-N 2.83Å; E63-I70 HydrophobicContact CG-CB 3.59Å; E63-I70 HydrophobicContact CG-CD1 3.78Å; E63-I70 HydrophobicContact CG-CG1 3.65Å; E63-I70 WeakPolarHBondContact OE1-CA 3.41Å; E63-I70 PolarHBondContact OE1-N 2.72Å; E63-D71 PolarHBondContact OE1-N 3.3Å
64R58.1Low55.5Low88 Ų8862.5 Ų62.533%0.33231%0.312SS..Hα-helixtrans-63.8-40.6-179.7-64.8172.5177.7-169.5-5.6113.2W55 D58 L60 K61 R66W55-R64 VanDerWaalsContact CH2-CZ 3.41Å; W55-R64 HydrophobicContact CZ2-CG 4.35Å; W55-R64 VanDerWaalsContact CZ3-CZ 3.45Å; D58-R64 HydrophobicContact CB-CG 4.09Å; D58-R64 PolarHBondContact O-NE 2.66Å; D58-R64 PolarHBondContact O-NH2 3.36Å; L60-R64 PolarHBondContact O-N 2.98Å; L60-R64 VanDerWaalsContact O-N 3.17Å; K61-R64 PolarHBondContact O-N 2.99Å; R64-R66 VanDerWaalsContact C-N 3.35Å
65E50.8Low56.3Low139 Ų13963.1 Ų63.165%0.6531%0.31SS*.Hα-helixtrans-71-29.9179.3-77.4174.9-179.100112.8K61 E63K61-E65 WeakPolarHBondContact CE-OE1 3.28Å; K61-E65 WeakPolarHBondContact O-CG 3.17Å; K61-E65 PolarHBondContact O-N 3Å; E63-E65 PolarHBondContact O-N 2.87Å
66R47.5Very low56.9Low178 Ų17865.9 Ų65.967%0.67232%0.324SS*.Hα-helixtrans-100-12.7-177-64.6-177.5178.5-166.3-0.8114A62 E63 R64 I68A62-R66 WeakPolarHBondContact O-CB 3.37Å; A62-R66 WeakPolarHBondContact O-CG 3.44Å; A62-R66 PolarHBondContact O-N 2.85Å; E63-R66 PolarHBondContact O-N 3.01Å; R64-R66 VanDerWaalsContact C-N 3.35Å; R66-I68 HydrophobicContact CB-CD1 4.28Å; R66-I68 HydrophobicContact CB-CG1 3.82Å; R66-I68 PolarHBondContact O-N 2.92Å
67G55.5Low57.8Low53 Ų5365.7 Ų65.755%0.54632%0.322SS..THydrogen-bonded Turntrans66.323.1-177.300000114.1E63E63-G67 PolarHBondContact O-N 3.3Å
68I53.5Low58.9Low35 Ų3570 Ų7018%0.17934%0.342CS..SBendtrans-130.7139.6-179.562176.8000110.5V16 E63 R66 I70 F95V16-I68 HydrophobicContact CG1-CG2 4.18Å; E63-I68 WeakPolarHBondContact CA-O 3.4Å; E63-I68 PolarHBondContact O-N 2.83Å; R66-I68 HydrophobicContact CB-CD1 4.28Å; R66-I68 HydrophobicContact CB-CG1 3.82Å; R66-I68 PolarHBondContact O-N 2.92Å; I68-I70 HydrophobicContact CG1-CG1 4.4Å; I68-F95 HydrophobicContact CD1-CE2 4.45Å
69T46.5Very low60Low7 Ų769.9 Ų69.94%0.04334%0.342CS..  trans-69.4132.4171.8-46.90000110.3S21 P90S21-T69 PolarHBondContact OG-OG1 3.03Å; T69-P90 WeakPolarHBondContact O-CB 3.26Å
70I53.3Low61.2Low27 Ų2767.5 Ų67.514%0.13834%0.342CS..  trans-115.2-47.8-174-66.8174.4000110.5A62 E63 I68 F95 N98A62-I70 HydrophobicContact CB-CD1 4.08Å; E63-I70 HydrophobicContact CG-CB 3.59Å; E63-I70 HydrophobicContact CG-CD1 3.78Å; E63-I70 HydrophobicContact CG-CG1 3.65Å; E63-I70 WeakPolarHBondContact OE1-CA 3.41Å; E63-I70 PolarHBondContact OE1-N 2.72Å; I68-I70 HydrophobicContact CG1-CG1 4.4Å; I70-F95 HydrophobicContact CB-CE2 4.24Å; I70-F95 HydrophobicContact CB-CZ 4.21Å; I70-F95 HydrophobicContact CG1-CE2 3.79Å; I70-F95 HydrophobicContact CG1-CZ 3.91Å; I70-F95 HydrophobicContact CG2-CD1 4.2Å; I70-F95 HydrophobicContact CG2-CE1 3.68Å; I70-F95 HydrophobicContact CG2-CE2 4.21Å; I70-F95 HydrophobicContact CG2-CZ 3.7Å; I70-N98 PolarHBondContact O-ND2 3.02Å
71D51.2Low62.8Low85 Ų8569.3 Ų69.346%0.45535%0.347SS..SBendtrans-110.2159.9-179.6-153.80.5000112.1L60 E63 S73L60-D71 HydrophobicContact CD1-CB 4.07Å; E63-D71 PolarHBondContact OE1-N 3.3Å; D71-S73 PolarHBondContact O-N 2.93Å
72I54.7Low64.4Low44 Ų4462.8 Ų62.823%0.22632%0.318CS..PPolyproline II helixtrans-71.9120.8176.5-61.2167.2000108.2L74 I87 N98I72-L74 HydrophobicContact CG2-CD2 4.15Å; I72-I87 HydrophobicContact CG2-CG2 3.59Å; I72-N98 HydrophobicContact CD1-CB 4.25Å; I72-N98 WeakPolarHBondContact CD1-O 3.18Å; I72-N98 HydrophobicContact CG1-CB 4.01Å
73S58.9Low65.9Low15 Ų1565.5 Ų65.511%0.10532%0.32CS..EExtended strand (participates in β ladder)trans-100128.5168.371.90000110D71 W75 D88D71-S73 PolarHBondContact O-N 2.93Å; S73-W75 VanDerWaalsContact CB-NE1 3.31Å; S73-W75 PolarHBondContact OG-NE1 3.26Å; S73-W75 VanDerWaalsContact OG-NE1 3.11Å; S73-D88 PolarHBondContact O-N 3.05Å
74L62.3Low67.1Low110 Ų11065.2 Ų65.258%0.57632%0.319SS*.EExtended strand (participates in β ladder)trans-98.3118.7175.9-63.7176.7000108.8I72 T85 I86 I87I72-L74 HydrophobicContact CG2-CD2 4.15Å; L74-T85 HydrophobicContact CB-CG2 4.49Å; L74-T85 HydrophobicContact CD2-CG2 4.05Å; L74-I86 WeakPolarHBondContact CA-O 3.14Å; L74-I87 HydrophobicContact CD2-CG1 3.76Å
75W72.1Confident68.2Low36 Ų3661.5 Ų61.514%0.13631%0.306CS..EExtended strand (participates in β ladder)trans-127.8142.6178.4-67.290.2000110.6I28 I34 V56 L57 K59 S73 T85 I86I28-W75 HydrophobicContact CD1-CB 3.4Å; I28-W75 VanDerWaalsContact CD1-CB 3.4Å; I28-W75 HydrophobicContact CD1-CD2 4.15Å; I28-W75 HydrophobicContact CD1-CG 3.59Å; I28-W75 HydrophobicContact CG1-CB 4.08Å; I28-W75 HydrophobicContact CG2-CE3 4.27Å; I34-W75 HydrophobicContact CG1-CZ3 4.26Å; V56-W75 HydrophobicContact CG1-CH2 4.25Å; V56-W75 HydrophobicContact CG1-CZ2 4.39Å; V56-W75 HydrophobicContact CG1-CZ3 4.45Å; V56-W75 WeakPolarHBondContact O-CH2 3.48Å; V56-W75 WeakPolarHBondContact O-CZ2 3.43Å; L57-W75 HydrophobicContact CD2-CD2 4.17Å; L57-W75 HydrophobicContact CD2-CG 3.85Å; K59-W75 VanDerWaalsContact CE-CZ2 3.45Å; S73-W75 VanDerWaalsContact CB-NE1 3.31Å; S73-W75 PolarHBondContact OG-NE1 3.26Å; S73-W75 VanDerWaalsContact OG-NE1 3.11Å; W75-T85 CarbonylContact O-C 3.56Å; W75-T85 VanDerWaalsContact O-CA 3.3Å; W75-T85 WeakPolarHBondContact O-CA 3.42Å; W75-I86 PolarHBondContact N-O 2.81Å; W75-I86 VanDerWaalsContact N-O 3.07Å; W75-I86 PolarHBondContact O-N 2.76Å
76K74.3Confident69.7Low121 Ų12155.1 Ų55.153%0.52628%0.276SS..EExtended strand (participates in β ladder)trans-112.4137.3-179.5-63.9-175.6178.9-177.10109.7G33 V84G33-K76 WeakPolarHBondContact CA-O 3.47Å; K76-V84 VanDerWaalsContact CA-O 3.3Å; K76-V84 WeakPolarHBondContact CA-O 3.14Å
77F81.5Confident71.2Confident7 Ų746.7 Ų46.73%0.03124%0.244CC..EExtended strand (participates in β ladder)trans-146.9167.2166.374-78.2000109.3C31 T79 V84 I86 L226 L229C31-F77 HydrophobicContact CB-CB 3.9Å; C31-F77 HydrophobicContact CB-CD2 3.46Å; C31-F77 VanDerWaalsContact CB-CD2 3.46Å; C31-F77 HydrophobicContact CB-CE2 4.36Å; C31-F77 HydrophobicContact CB-CG 4.03Å; F77-T79 HydrophobicContact CD2-CG2 4.38Å; F77-T79 HydrophobicContact CE2-CG2 3.68Å; F77-T79 HydrophobicContact CZ-CG2 4.36Å; F77-V84 HydrophobicContact CD1-CB 3.94Å; F77-V84 HydrophobicContact CD1-CG1 4.16Å; F77-V84 HydrophobicContact CE1-CB 3.45Å; F77-V84 VanDerWaalsContact CE1-CB 3.45Å; F77-V84 HydrophobicContact CE1-CG1 3.31Å; F77-V84 HydrophobicContact CE1-CG2 4.26Å; F77-V84 HydrophobicContact CE2-CB 4.25Å; F77-V84 HydrophobicContact CE2-CG2 4.27Å; F77-V84 HydrophobicContact CG-CB 4.48Å; F77-V84 HydrophobicContact CZ-CB 3.67Å; F77-V84 HydrophobicContact CZ-CG1 3.64Å; F77-V84 HydrophobicContact CZ-CG2 3.95Å; F77-V84 PolarHBondContact N-O 2.83Å; F77-V84 PolarHBondContact O-N 2.74Å; F77-I86 HydrophobicContact CD1-CD1 3.82Å; F77-I86 HydrophobicContact CD1-CG1 3.89Å; F77-I86 HydrophobicContact CE1-CD1 3.34Å; F77-I86 HydrophobicContact CE1-CG1 3.39Å; F77-I86 HydrophobicContact CZ-CD1 4.26Å; F77-L226 HydrophobicContact CE2-CD1 4.15Å; F77-L229 HydrophobicContact CZ-CD1 4.01Å
78E81.9Confident71.9Confident94 Ų9444.2 Ų44.244%0.43922%0.218SC..EExtended strand (participates in β ladder)trans-112139.8-178.2-69.7-176.1-142.800111.1K5 Y83K5-E78 IonicContact NZ-OE2 2.72Å; K5-E78 PolarHBondContact NZ-OE2 2.83Å; E78-Y83 HydrophobicContact CG-CD1 3.51Å; E78-Y83 HydrophobicContact CG-CE1 3.57Å; E78-Y83 VanDerWaalsContact OE1-CE1 3.26Å; E78-Y83 WeakPolarHBondContact OE1-CE1 3.26Å
79T85.3Confident72.6Confident7 Ų742.6 Ų42.64%0.04321%0.21CC..  trans-105.2-173.2165.471.40000109.9K5 F77 K81 Y82 V84 L226 D230K5-T79 WeakPolarHBondContact CE-O 3.33Å; K5-T79 PolarHBondContact NZ-O 2.77Å; F77-T79 HydrophobicContact CD2-CG2 4.38Å; F77-T79 HydrophobicContact CE2-CG2 3.68Å; F77-T79 HydrophobicContact CZ-CG2 4.36Å; T79-K81 VanDerWaalsContact C-N 3.26Å; T79-K81 PolarHBondContact O-N 3.21Å; T79-K81 PolarHBondContact OG1-N 3.4Å; T79-Y82 PolarHBondContact N-O 3.48Å; T79-Y82 PolarHBondContact OG1-N 2.92Å; T79-Y82 PolarHBondContact OG1-O 2.96Å; T79-V84 HydrophobicContact CG2-CG2 3.68Å; T79-L226 HydrophobicContact CG2-CD1 3.79Å; T79-D230 WeakPolarHBondContact CB-OD1 3.46Å; T79-D230 PolarHBondContact OG1-OD1 3.42Å
80S84.9Confident73.5Confident88 Ų8842.2 Ų42.262%0.61521%0.208SC*.SBendtrans-63.4-34.5175.368.80000111.9D230S80-D230 PolarHBondContact N-OD2 3.42Å; S80-D230 PolarHBondContact OG-OD1 3.39Å; S80-D230 PolarHBondContact OG-OD2 3.33Å
81K85.2Confident73.7Confident118 Ų11841.2 Ų41.251%0.51320%0.204SC..SBendtrans-109.6-26.5-175.1-67.2177.4-175.1171.50115.3K5 T79 D230K5-K81 WeakPolarHBondContact CB-O 3.49Å; T79-K81 VanDerWaalsContact C-N 3.26Å; T79-K81 PolarHBondContact O-N 3.21Å; T79-K81 PolarHBondContact OG1-N 3.4Å; K81-D230 PolarHBondContact N-OD1 3.44Å
82Y85.5Confident74.4Confident16 Ų1640.1 Ų40.16%0.06320%0.196CC..EExtended strand (participates in β ladder)trans-128.6148.7-165.1-60.9-62.9000113.5T6 I8 T79 I232 P234T6-Y82 HydrophobicContact CG2-CD1 4.41Å; T6-Y82 HydrophobicContact CG2-CE1 4.37Å; T6-Y82 CarbonylContact O-C 3.57Å; T6-Y82 VanDerWaalsContact O-CA 3.25Å; T6-Y82 WeakPolarHBondContact O-CA 3.09Å; T6-Y82 WeakPolarHBondContact O-CD1 3.36Å; I8-Y82 HydrophobicContact CD1-CD1 4.42Å; I8-Y82 HydrophobicContact CD1-CD2 3.73Å; I8-Y82 HydrophobicContact CD1-CE2 4.39Å; I8-Y82 HydrophobicContact CD1-CG 3.74Å; I8-Y82 HydrophobicContact CG1-CG 4.18Å; I8-Y82 HydrophobicContact CG2-CD1 3.76Å; I8-Y82 HydrophobicContact CG2-CE1 4.09Å; I8-Y82 HydrophobicContact CG2-CG 4.13Å; T79-Y82 PolarHBondContact N-O 3.48Å; T79-Y82 PolarHBondContact OG1-N 2.92Å; T79-Y82 PolarHBondContact OG1-O 2.96Å; Y82-I232 WeakPolarHBondContact CE2-O 3.37Å; Y82-I232 PolarHBondContact OH-O 2.57Å; Y82-P234 HydrophobicContact CE1-CG 4.19Å; Y82-P234 VanDerWaalsContact OH-CD 3.27Å; Y82-P234 WeakPolarHBondContact OH-CD 3.36Å; Y82-P234 VanDerWaalsContact OH-CG 3.32Å; Y82-P234 WeakPolarHBondContact OH-CG 3.31Å
83Y82.5Confident74.7Confident101 Ų10142 Ų4240%0.39620%0.2SC..EExtended strand (participates in β ladder)trans-84.7118154-73.4-70.5000107.5K5 T6 H7 I8 E78K5-Y83 HydrophobicContact CB-CD2 3.6Å; K5-Y83 HydrophobicContact CB-CE2 3.67Å; K5-Y83 HydrophobicContact CB-CG 4.31Å; K5-Y83 HydrophobicContact CD-CE2 4.49Å; K5-Y83 HydrophobicContact CG-CE2 4.4Å; K5-Y83 WeakPolarHBondContact O-CD2 3.48Å; T6-Y83 PolarHBondContact O-N 2.84Å; H7-Y83 CarbonylContact C-O 3.47Å; H7-Y83 VanDerWaalsContact CA-O 3.3Å; H7-Y83 WeakPolarHBondContact CA-O 3.21Å; I8-Y83 PolarHBondContact N-O 2.86Å; E78-Y83 HydrophobicContact CG-CD1 3.51Å; E78-Y83 HydrophobicContact CG-CE1 3.57Å; E78-Y83 VanDerWaalsContact OE1-CE1 3.26Å; E78-Y83 WeakPolarHBondContact OE1-CE1 3.26Å
84V84.1Confident74.5Confident1 Ų145.5 Ų45.51%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-107.4122.8-175.8-174.70000109.4I8 I10 K76 F77 T79 I86I8-V84 HydrophobicContact CD1-CG2 3.91Å; I8-V84 HydrophobicContact CG1-CB 4.32Å; I8-V84 HydrophobicContact CG1-CG1 4.29Å; I8-V84 HydrophobicContact CG1-CG2 3.81Å; I8-V84 WeakPolarHBondContact O-CA 2.93Å; I10-V84 HydrophobicContact CB-CG1 4.31Å; I10-V84 HydrophobicContact CD1-CG1 3.5Å; I10-V84 VanDerWaalsContact CD1-CG1 3.5Å; I10-V84 HydrophobicContact CG1-CG1 3.81Å; K76-V84 VanDerWaalsContact CA-O 3.3Å; K76-V84 WeakPolarHBondContact CA-O 3.14Å; F77-V84 HydrophobicContact CD1-CB 3.94Å; F77-V84 HydrophobicContact CD1-CG1 4.16Å; F77-V84 HydrophobicContact CE1-CB 3.45Å; F77-V84 VanDerWaalsContact CE1-CB 3.45Å; F77-V84 HydrophobicContact CE1-CG1 3.31Å; F77-V84 HydrophobicContact CE1-CG2 4.26Å; F77-V84 HydrophobicContact CE2-CB 4.25Å; F77-V84 HydrophobicContact CE2-CG2 4.27Å; F77-V84 HydrophobicContact CG-CB 4.48Å; F77-V84 HydrophobicContact CZ-CB 3.67Å; F77-V84 HydrophobicContact CZ-CG1 3.64Å; F77-V84 HydrophobicContact CZ-CG2 3.95Å; F77-V84 PolarHBondContact N-O 2.83Å; F77-V84 PolarHBondContact O-N 2.74Å; T79-V84 HydrophobicContact CG2-CG2 3.68Å; V84-I86 HydrophobicContact CG1-CG1 4.29Å
85T80.8Confident74.3Confident10 Ų1042.3 Ų42.36%0.06120%0.2CC..EExtended strand (participates in β ladder)trans-97.2115.9162.9-67.50000109H7 I8 N9 I10 L74 W75H7-T85 PolarHBondContact CE1-OG1 3.4Å; H7-T85 PolarHBondContact NE2-OG1 2.93Å; I8-T85 PolarHBondContact O-N 3.49Å; N9-T85 WeakPolarHBondContact CA-O 3.42Å; I10-T85 PolarHBondContact N-O 2.9Å; L74-T85 HydrophobicContact CB-CG2 4.49Å; L74-T85 HydrophobicContact CD2-CG2 4.05Å; W75-T85 CarbonylContact O-C 3.56Å; W75-T85 VanDerWaalsContact O-CA 3.3Å; W75-T85 WeakPolarHBondContact O-CA 3.42Å
86I82.5Confident73.9Confident4 Ų440.8 Ų40.82%0.02119%0.194CC..EExtended strand (participates in β ladder)trans-84.8131.1169.8-54.4-176.1000109.5I10 V12 T24 I28 L74 W75 F77 V84I10-I86 CarbonylContact O-C 3.5Å; I10-I86 WeakPolarHBondContact O-CA 3.32Å; V12-I86 HydrophobicContact CG2-CG2 3.7Å; T24-I86 HydrophobicContact CG2-CB 4.36Å; T24-I86 HydrophobicContact CG2-CD1 3.78Å; T24-I86 HydrophobicContact CG2-CG2 3.67Å; I28-I86 HydrophobicContact CD1-CD1 4.43Å; I28-I86 HydrophobicContact CG1-CD1 4.19Å; L74-I86 WeakPolarHBondContact CA-O 3.14Å; W75-I86 PolarHBondContact N-O 2.81Å; W75-I86 VanDerWaalsContact N-O 3.07Å; W75-I86 PolarHBondContact O-N 2.76Å; F77-I86 HydrophobicContact CD1-CD1 3.82Å; F77-I86 HydrophobicContact CD1-CG1 3.89Å; F77-I86 HydrophobicContact CE1-CD1 3.34Å; F77-I86 HydrophobicContact CE1-CG1 3.39Å; F77-I86 HydrophobicContact CZ-CD1 4.26Å; V84-I86 HydrophobicContact CG1-CG1 4.29Å
87I78.9Confident73.4Confident2 Ų238.2 Ų38.21%0.0118%0.183CC..EExtended strand (participates in β ladder)trans-104.797.9169.3-58.7171.6000105.5N9 I10 V11 V12 I72 L74 A89 G102 Q105N9-I87 HydrophobicContact CB-CD1 4.31Å; I10-I87 PolarHBondContact O-N 3.24Å; V11-I87 WeakPolarHBondContact CA-O 3.37Å; V11-I87 HydrophobicContact CB-CB 4.39Å; V11-I87 HydrophobicContact CG2-CB 4.39Å; V11-I87 HydrophobicContact CG2-CG2 4.16Å; V12-I87 PolarHBondContact N-O 2.88Å; V12-I87 VanDerWaalsContact N-O 3.1Å; I72-I87 HydrophobicContact CG2-CG2 3.59Å; L74-I87 HydrophobicContact CD2-CG1 3.76Å; I87-A89 PolarHBondContact O-N 2.79Å; I87-G102 VanDerWaalsContact CD1-O 3.32Å; I87-G102 WeakPolarHBondContact CD1-O 3.29Å; I87-Q105 HydrophobicContact CD1-CB 4.18Å
88D70.4Confident72.6Confident0 Ų039.8 Ų39.80%019%0.191CC..EExtended strand (participates in β ladder)trans-74.9111.5174.2-165.624.1000108.5S21 L57 S73S21-D88 PolarHBondContact OG-OD2 2.73Å; L57-D88 WeakPolarHBondContact CD1-OD2 3.43Å; S73-D88 PolarHBondContact O-N 3.05Å
89A67.3Low72Confident1 Ų135.3 Ų35.31%0.00817%0.171CC..  trans-95.9134.8-176.800000110.5V11 V12 I13 I87 G91 M99V11-A89 HydrophobicContact CG2-CB 3.67Å; V12-A89 WeakPolarHBondContact O-CB 3.49Å; V12-A89 PolarHBondContact O-N 3.28Å; I13-A89 HydrophobicContact CG2-CB 4.46Å; I87-A89 PolarHBondContact O-N 2.79Å; A89-G91 PolarHBondContact O-N 2.9Å; A89-M99 HydrophobicContact CB-CB 4.25Å; A89-M99 HydrophobicContact CB-CG 3.8Å
90P65.8Low71.1Confident0 Ų035.4 Ų35.40%017%0.171CC..  trans-65.5137.8-17727.3-34.7000110.7T69 F95 N98T69-P90 WeakPolarHBondContact O-CB 3.26Å; P90-F95 HydrophobicContact CB-CB 3.59Å; P90-F95 HydrophobicContact CB-CD2 4.23Å; P90-F95 HydrophobicContact CB-CG 4.26Å; P90-F95 HydrophobicContact CG-CB 3.37Å; P90-F95 HydrophobicContact CG-CG 4.42Å; P90-F95 WeakPolarHBondContact CG-O 3.35Å; P90-N98 HydrophobicContact CG-CB 3.87Å
91G58.5Low70.2Confident5 Ų532.9 Ų32.95%0.05215%0.151CC..  trans-79.1-22.5-179.900000113.6A89 Q129A89-G91 PolarHBondContact O-N 2.9Å; G91-Q129 PolarHBondContact O-NE2 3.34Å; G91-Q129 PolarHBondContact O-OE1 2.78Å
92H65.1Low69.4Low62 Ų6227.3 Ų27.329%0.28713%0.128SC..SBendtrans-79145.9-169.7-165.8-91000112.9D94 F95H92-D94 VanDerWaalsContact C-N 3.25Å; H92-D94 IonicContact CE1-OD2 2.87Å; H92-D94 PolarHBondContact CE1-OD2 2.85Å; H92-D94 PolarHBondContact ND1-N 2.84Å; H92-D94 IonicContact ND1-OD2 3.43Å; H92-D94 PolarHBondContact ND1-OD2 3.31Å; H92-D94 PolarHBondContact O-N 2.87Å; H92-F95 HydrophobicContact CB-CD2 3.79Å; H92-F95 HydrophobicContact CB-CE2 4.19Å; H92-F95 PolarHBondContact O-N 3.43Å
93R60.5Low68.8Low83 Ų8326.6 Ų26.631%0.31313%0.125SC..G310 helixtrans-55.9-37.9-176.3-74.1-174.9171.2-176-0.9113.4F95 I96 N127R93-F95 PolarHBondContact O-N 3.09Å; R93-I96 WeakPolarHBondContact O-CD1 3.43Å; R93-I96 VanDerWaalsContact O-CG1 3.32Å; R93-I96 WeakPolarHBondContact O-CG1 3.4Å; R93-I96 PolarHBondContact O-N 3.43Å; R93-N127 VanDerWaalsContact NH2-CA 3.28Å; R93-N127 PolarHBondContact NH2-O 3.37Å; R93-N127 PolarHBondContact NH2-OD1 3.41Å
94D55.3Low68Low90 Ų9023.5 Ų23.548%0.48112%0.118SC..G310 helixtrans-65.7-22-178.4-63.1-19.8000113.3H92H92-D94 VanDerWaalsContact C-N 3.25Å; H92-D94 IonicContact CE1-OD2 2.87Å; H92-D94 PolarHBondContact CE1-OD2 2.85Å; H92-D94 PolarHBondContact ND1-N 2.84Å; H92-D94 IonicContact ND1-OD2 3.43Å; H92-D94 PolarHBondContact ND1-OD2 3.31Å; H92-D94 PolarHBondContact O-N 2.87Å
95F58.4Low67.2Low43 Ų4325.8 Ų25.819%0.18913%0.129CC..G310 helixtrans-106.915.7-174.2-53-58.3000113.9I68 I70 P90 H92 R93 K97 N98 M99I68-F95 HydrophobicContact CD1-CE2 4.45Å; I70-F95 HydrophobicContact CB-CE2 4.24Å; I70-F95 HydrophobicContact CB-CZ 4.21Å; I70-F95 HydrophobicContact CG1-CE2 3.79Å; I70-F95 HydrophobicContact CG1-CZ 3.91Å; I70-F95 HydrophobicContact CG2-CD1 4.2Å; I70-F95 HydrophobicContact CG2-CE1 3.68Å; I70-F95 HydrophobicContact CG2-CE2 4.21Å; I70-F95 HydrophobicContact CG2-CZ 3.7Å; P90-F95 HydrophobicContact CB-CB 3.59Å; P90-F95 HydrophobicContact CB-CD2 4.23Å; P90-F95 HydrophobicContact CB-CG 4.26Å; P90-F95 HydrophobicContact CG-CB 3.37Å; P90-F95 HydrophobicContact CG-CG 4.42Å; P90-F95 WeakPolarHBondContact CG-O 3.35Å; H92-F95 HydrophobicContact CB-CD2 3.79Å; H92-F95 HydrophobicContact CB-CE2 4.19Å; H92-F95 PolarHBondContact O-N 3.43Å; R93-F95 PolarHBondContact O-N 3.09Å; F95-K97 PolarHBondContact O-N 3.2Å; F95-K97 VanDerWaalsContact O-N 3.07Å; F95-N98 WeakPolarHBondContact O-CB 3.26Å; F95-N98 PolarHBondContact O-N 2.83Å; F95-M99 PolarHBondContact O-N 3.37Å
96I63.8Low67.2Low3 Ų325.9 Ų25.92%0.01513%0.131CC..Hα-helixtrans-57.1-27.4177.4-67.2169.9000112.2R93 N98 M99 I100 E132 L136 T429R93-I96 WeakPolarHBondContact O-CD1 3.43Å; R93-I96 VanDerWaalsContact O-CG1 3.32Å; R93-I96 WeakPolarHBondContact O-CG1 3.4Å; R93-I96 PolarHBondContact O-N 3.43Å; I96-N98 VanDerWaalsContact C-N 3.31Å; I96-N98 PolarHBondContact O-N 3.22Å; I96-M99 CarbonylContact O-C 3.52Å; I96-M99 WeakPolarHBondContact O-CB 3.35Å; I96-M99 PolarHBondContact O-N 3.49Å; I96-I100 HydrophobicContact CG2-CD1 3.76Å; I96-I100 HydrophobicContact CG2-CG1 4.1Å; I96-I100 WeakPolarHBondContact O-CD1 3.43Å; I96-I100 VanDerWaalsContact O-CG1 3.28Å; I96-I100 WeakPolarHBondContact O-CG1 3.5Å; I96-I100 PolarHBondContact O-N 2.79Å; I96-E132 VanDerWaalsContact CD1-OE1 3.25Å; I96-E132 WeakPolarHBondContact CD1-OE1 3.46Å; I96-L136 HydrophobicContact CG2-CD1 3.75Å; I96-T429 HydrophobicContact CG2-CG2 4.4Å; I96-T429 WeakPolarHBondContact CG2-OG1 3.43Å
97K62.4Low67.3Low68 Ų6827.1 Ų27.130%0.29614%0.138SC..Hα-helixtrans-56.5-46.8173.5175.9177-177.6-176.20111.8F95 M99 I100 T101 R424F95-K97 PolarHBondContact O-N 3.2Å; F95-K97 VanDerWaalsContact O-N 3.07Å; K97-M99 VanDerWaalsContact C-N 3.3Å; K97-I100 PolarHBondContact O-N 2.87Å; K97-T101 PolarHBondContact O-N 3.08Å; K97-T101 PolarHBondContact O-OG1 2.99Å; K97-R424 VanDerWaalsContact CB-CZ 3.49Å
98N66Low67.8Low39 Ų3927.1 Ų27.121%0.20914%0.138CC..Hα-helixtrans-66.2-39.9179.6-67.6-0.7000109.6I70 I72 P90 F95 I96 I100 T101 G102I70-N98 PolarHBondContact O-ND2 3.02Å; I72-N98 HydrophobicContact CD1-CB 4.25Å; I72-N98 WeakPolarHBondContact CD1-O 3.18Å; I72-N98 HydrophobicContact CG1-CB 4.01Å; P90-N98 HydrophobicContact CG-CB 3.87Å; F95-N98 WeakPolarHBondContact O-CB 3.26Å; F95-N98 PolarHBondContact O-N 2.83Å; I96-N98 VanDerWaalsContact C-N 3.31Å; I96-N98 PolarHBondContact O-N 3.22Å; N98-I100 PolarHBondContact O-N 2.84Å; N98-T101 WeakPolarHBondContact CA-OG1 3.43Å; N98-T101 PolarHBondContact O-N 3.47Å; N98-T101 PolarHBondContact O-OG1 3.24Å; N98-G102 PolarHBondContact O-N 3.08Å
99M68.3Low68.9Low1 Ų127.1 Ų27.11%0.00514%0.138CC..Hα-helixtrans-59.3-43.7172.1-166.9-141.6176.300112.4I13 A89 F95 I96 K97 G102 T103 H133 L136I13-M99 HydrophobicContact CB-CE 3.9Å; I13-M99 HydrophobicContact CG2-CE 3.35Å; A89-M99 HydrophobicContact CB-CB 4.25Å; A89-M99 HydrophobicContact CB-CG 3.8Å; F95-M99 PolarHBondContact O-N 3.37Å; I96-M99 CarbonylContact O-C 3.52Å; I96-M99 WeakPolarHBondContact O-CB 3.35Å; I96-M99 PolarHBondContact O-N 3.49Å; K97-M99 VanDerWaalsContact C-N 3.3Å; M99-G102 PolarHBondContact O-N 3.21Å; M99-T103 WeakPolarHBondContact O-CB 3.4Å; M99-T103 PolarHBondContact O-N 3.37Å; M99-T103 PolarHBondContact O-OG1 2.63Å; M99-H133 HydrophobicContact CE-CB 3.46Å; M99-H133 VanDerWaalsContact CE-CB 3.46Å; M99-H133 HydrophobicContact SD-CB 4.4Å; M99-H133 PolarHBondContact SD-CD2 2.99Å; M99-L136 HydrophobicContact CE-CB 4.43Å; M99-L136 HydrophobicContact SD-CB 4.4Å; M99-L136 HydrophobicContact SD-CD1 3.64Å
100I66.9Low70.2Confident9 Ų927.4 Ų27.45%0.04614%0.139CC..Hα-helixtrans-62.8-47.9178.9-69.3152.4000110.9I96 K97 N98 G102 T103 S104 L140 A422 T429I96-I100 HydrophobicContact CG2-CD1 3.76Å; I96-I100 HydrophobicContact CG2-CG1 4.1Å; I96-I100 WeakPolarHBondContact O-CD1 3.43Å; I96-I100 VanDerWaalsContact O-CG1 3.28Å; I96-I100 WeakPolarHBondContact O-CG1 3.5Å; I96-I100 PolarHBondContact O-N 2.79Å; K97-I100 PolarHBondContact O-N 2.87Å; N98-I100 PolarHBondContact O-N 2.84Å; I100-G102 VanDerWaalsContact C-N 3.29Å; I100-G102 PolarHBondContact O-N 3.14Å; I100-T103 PolarHBondContact O-N 3.13Å; I100-S104 WeakPolarHBondContact O-CB 3.36Å; I100-S104 PolarHBondContact O-N 2.84Å; I100-S104 PolarHBondContact O-OG 3.12Å; I100-L140 HydrophobicContact CB-CD1 4.27Å; I100-L140 HydrophobicContact CG1-CD1 4.33Å; I100-L140 HydrophobicContact CG2-CD1 4.09Å; I100-L140 HydrophobicContact CG2-CD2 4.25Å; I100-A422 HydrophobicContact CD1-CB 3.23Å; I100-A422 HydrophobicContact CG1-CB 4.01Å; I100-A422 HydrophobicContact CG2-CB 4.05Å; I100-T429 HydrophobicContact CD1-CG2 4.2Å
101T65.9Low71.6Confident34 Ų3427.5 Ų27.521%0.20914%0.14CC..Hα-helixtrans-66.7-30.3179.649.20000113.1K97 N98 S104 Q105K97-T101 PolarHBondContact O-N 3.08Å; K97-T101 PolarHBondContact O-OG1 2.99Å; N98-T101 WeakPolarHBondContact CA-OG1 3.43Å; N98-T101 PolarHBondContact O-N 3.47Å; N98-T101 PolarHBondContact O-OG1 3.24Å; T101-S104 PolarHBondContact O-OG 3.11Å; T101-Q105 PolarHBondContact O-NE2 3.38Å
102G68.8Low73.4Confident2 Ų227.3 Ų27.32%0.02114%0.138CC..Hα-helixtrans-77.1-44.3174.700000112.4I87 N98 M99 I100 S104 Q105I87-G102 VanDerWaalsContact CD1-O 3.32Å; I87-G102 WeakPolarHBondContact CD1-O 3.29Å; N98-G102 PolarHBondContact O-N 3.08Å; M99-G102 PolarHBondContact O-N 3.21Å; I100-G102 VanDerWaalsContact C-N 3.29Å; I100-G102 PolarHBondContact O-N 3.14Å; G102-S104 VanDerWaalsContact C-N 3.32Å; G102-S104 PolarHBondContact O-N 2.92Å; G102-Q105 PolarHBondContact O-N 3.3Å
103T71.6Confident74.8Confident0 Ų024.5 Ų24.50%013%0.125CC..Hα-helixtrans-67.9-31.7-178.8-56.60000112V11 M99 I100 Q105 A106 A137 L140 V142V11-T103 HydrophobicContact CG1-CG2 4.25Å; M99-T103 WeakPolarHBondContact O-CB 3.4Å; M99-T103 PolarHBondContact O-N 3.37Å; M99-T103 PolarHBondContact O-OG1 2.63Å; I100-T103 PolarHBondContact O-N 3.13Å; T103-Q105 PolarHBondContact O-N 3.34Å; T103-A106 PolarHBondContact O-N 2.62Å; T103-A106 VanDerWaalsContact O-N 3.15Å; T103-A137 HydrophobicContact CG2-CB 4.06Å; T103-L140 HydrophobicContact CG2-CB 3.95Å; T103-L140 HydrophobicContact CG2-CD1 3.68Å; T103-L140 HydrophobicContact CG2-CG 4.45Å; T103-V142 HydrophobicContact CG2-CG2 3.68Å; T103-V142 WeakPolarHBondContact O-CG2 3.29Å
104S67.3Low76.4Confident37 Ų3720.9 Ų20.926%0.25911%0.112SC..THydrogen-bonded Turntrans-63.4-22176.163.60000113.6I100 T101 G102I100-S104 WeakPolarHBondContact O-CB 3.36Å; I100-S104 PolarHBondContact O-N 2.84Å; I100-S104 PolarHBondContact O-OG 3.12Å; T101-S104 PolarHBondContact O-OG 3.11Å; G102-S104 VanDerWaalsContact C-N 3.32Å; G102-S104 PolarHBondContact O-N 2.92Å
105Q66.3Low78.4Confident48 Ų4816.6 Ų16.622%0.2249%0.089CC..THydrogen-bonded Turntrans-97.2-5.3178.8-59.5-178.435.600113N9 I87 T101 G102 T103N9-Q105 WeakPolarHBondContact CB-O 3.4Å; N9-Q105 PolarHBondContact ND2-O 2.99Å; I87-Q105 HydrophobicContact CD1-CB 4.18Å; T101-Q105 PolarHBondContact O-NE2 3.38Å; G102-Q105 PolarHBondContact O-N 3.3Å; T103-Q105 PolarHBondContact O-N 3.34Å
106A80.9Confident79.9Confident12 Ų1214.7 Ų14.710%0.0998%0.082CC..  trans-86.1137.4-172.800000112.3V11 T103 V142V11-A106 HydrophobicContact CB-CB 3.69Å; V11-A106 HydrophobicContact CG1-CB 3.52Å; T103-A106 PolarHBondContact O-N 2.62Å; T103-A106 VanDerWaalsContact O-N 3.15Å; A106-V142 HydrophobicContact CB-CG2 4.18Å
107D84.3Confident81.1Confident31 Ų3119 Ų1917%0.16611%0.109CC..SBendtrans-87.4-28.7174.2-56.5-56.1000111.2N9 P235N9-D107 PolarHBondContact N-OD2 2.75Å; N9-D107 PolarHBondContact O-N 3.5Å; D107-P235 HydrophobicContact CB-CB 4.3Å; D107-P235 HydrophobicContact CB-CG 4.24Å; D107-P235 WeakPolarHBondContact OD1-CB 3.49Å; D107-P235 WeakPolarHBondContact OD1-CG 3.25Å
108C90.9Very high82.3Confident2 Ų217.8 Ų17.81%0.01412%0.115CC..EExtended strand (participates in β ladder)trans-142.2148.3176.9-175.70000111N9 I10 V11 V142 Q144 I232N9-C108 PolarHBondContact O-N 3.43Å; I10-C108 WeakPolarHBondContact CA-O 3.46Å; V11-C108 PolarHBondContact N-O 3.32Å; C108-V142 VanDerWaalsContact C-CG1 3.48Å; C108-Q144 WeakPolarHBondContact CA-O 3.37Å; C108-Q144 HydrophobicContact CB-CB 4.05Å; C108-Q144 PolarHBondContact SG-O 3.43Å; C108-I232 HydrophobicContact CB-CD1 3.66Å; C108-I232 HydrophobicContact CB-CG1 4.03Å; C108-I232 HydrophobicContact CB-CG2 4.14Å
109A93.1Very high83.4Confident0 Ų019.5 Ų19.50%012%0.122CC..EExtended strand (participates in β ladder)trans-108.2136.517100000110.5V11 I13 A137 V142 Q144 L145 I146V11-A109 HydrophobicContact CG1-CB 3.84Å; V11-A109 CarbonylContact O-C 3.52Å; V11-A109 WeakPolarHBondContact O-CA 3.27Å; I13-A109 HydrophobicContact CD1-CB 3.95Å; I13-A109 HydrophobicContact CG1-CB 4.39Å; A109-A137 HydrophobicContact CB-CB 4.18Å; A109-V142 HydrophobicContact CB-CG1 3.81Å; A109-V142 VanDerWaalsContact N-CG1 3.32Å; A109-Q144 PolarHBondContact N-O 2.54Å; A109-L145 HydrophobicContact CB-CD1 3.85Å; A109-L145 WeakPolarHBondContact O-CA 3.49Å; A109-I146 PolarHBondContact O-N 3.17Å
110V95.1Very high84.6Confident7 Ų719.7 Ų19.74%0.04212%0.122CC..EExtended strand (participates in β ladder)trans-105.4108.3168.81790000107.9I10 V11 V12 I13 I112 I146 L229I10-V110 HydrophobicContact CG2-CB 4.41Å; I10-V110 HydrophobicContact CG2-CG2 3.54Å; V11-V110 PolarHBondContact O-N 3.36Å; V12-V110 HydrophobicContact CG2-CB 4.37Å; I13-V110 PolarHBondContact N-O 3.43Å; V110-I112 HydrophobicContact CG1-CD1 3.68Å; V110-I112 HydrophobicContact CG1-CG1 4.39Å; V110-I146 CarbonylContact C-O 3.51Å; V110-I146 WeakPolarHBondContact CA-O 3.19Å; V110-I146 HydrophobicContact CG2-CB 4.35Å; V110-L229 HydrophobicContact CG2-CD2 3.74Å
111L94.9Very high85.7Confident2 Ų222.8 Ų22.81%0.0114%0.137CC..EExtended strand (participates in β ladder)trans-89.2108.9177.2-178.767.4000110.3I13 V113 T130 A134 L145 I146 V147 G148I13-L111 HydrophobicContact CD1-CB 4.43Å; I13-L111 HydrophobicContact CD1-CD1 4.03Å; I13-L111 HydrophobicContact CG1-CB 4.15Å; I13-L111 HydrophobicContact CG1-CD1 3.8Å; I13-L111 CarbonylContact O-C 3.48Å; I13-L111 WeakPolarHBondContact O-CA 3.26Å; L111-V113 HydrophobicContact CD2-CG2 4.22Å; L111-V113 HydrophobicContact CG-CG2 3.97Å; L111-T130 HydrophobicContact CD1-CG2 3.97Å; L111-T130 HydrophobicContact CD2-CG2 4.04Å; L111-T130 HydrophobicContact CG-CG2 4.27Å; L111-A134 HydrophobicContact CD2-CB 4.32Å; L111-L145 HydrophobicContact CB-CD1 3.97Å; L111-I146 PolarHBondContact N-O 3.39Å; L111-V147 HydrophobicContact CB-CG2 4.37Å; L111-V147 HydrophobicContact CD2-CG2 4.37Å; L111-V147 CarbonylContact O-C 3.59Å; L111-V147 WeakPolarHBondContact O-CA 3.19Å; L111-G148 PolarHBondContact O-N 2.98Å
112I94.9Very high86.7Confident1 Ų123.2 Ų23.21%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-87.3123.1175.5-55-58.4000109.4V12 I13 G14 S18 K20 T23 V110 G148 N150 I190V12-I112 HydrophobicContact CG1-CG1 3.78Å; I13-I112 PolarHBondContact O-N 2.66Å; G14-I112 WeakPolarHBondContact CA-O 3.37Å; S18-I112 WeakPolarHBondContact O-CG2 3.27Å; K20-I112 HydrophobicContact CG-CB 4.07Å; K20-I112 HydrophobicContact CG-CG1 4.21Å; T23-I112 HydrophobicContact CG2-CD1 4.01Å; V110-I112 HydrophobicContact CG1-CD1 3.68Å; V110-I112 HydrophobicContact CG1-CG1 4.39Å; I112-G148 WeakPolarHBondContact CA-O 3.11Å; I112-N150 HydrophobicContact CG2-CB 3.7Å; I112-I190 HydrophobicContact CD1-CD1 4.34Å
113V95Very high87.4Confident2 Ų223.2 Ų23.21%0.01214%0.144CC..EExtended strand (participates in β ladder)trans-123.5119.7-178.7-178.40000108.1L111 F120 T130 V147 G148 V149 N150 I167 V171L111-V113 HydrophobicContact CD2-CG2 4.22Å; L111-V113 HydrophobicContact CG-CG2 3.97Å; V113-F120 HydrophobicContact CG1-CD2 3.49Å; V113-F120 VanDerWaalsContact CG1-CD2 3.49Å; V113-F120 HydrophobicContact CG1-CE2 3.74Å; V113-T130 HydrophobicContact CG2-CG2 4Å; V113-V147 HydrophobicContact CG2-CG1 4.04Å; V113-G148 PolarHBondContact N-O 3.16Å; V113-V149 CarbonylContact O-C 3.46Å; V113-V149 WeakPolarHBondContact O-CA 3.28Å; V113-N150 PolarHBondContact O-N 3.23Å; V113-I167 HydrophobicContact CG1-CG2 3.99Å; V113-V171 HydrophobicContact CG1-CG2 4.41Å; V113-V171 HydrophobicContact CG2-CG2 4.48Å
114A94.9Very high88.1Confident7 Ų723.9 Ų23.96%0.05815%0.147CC..EExtended strand (participates in β ladder)trans-71.3138.6175.300000111.5E119 F120 N150 K151A114-E119 HydrophobicContact CB-CB 3.87Å; A114-E119 WeakPolarHBondContact CB-OE2 3.33Å; A114-F120 WeakPolarHBondContact O-CB 3.45Å; A114-N150 CarbonylContact C-O 3.49Å; A114-K151 HydrophobicContact CB-CD 4.28Å
115A95.7Very high88.8Confident0 Ų024.1 Ų24.10%015%0.149CC..  trans-93-12.3179.700000114.3V149 N150 M152 T155 R163 I167A115-V149 HydrophobicContact CB-CG1 3.88Å; A115-N150 VanDerWaalsContact CB-O 3.28Å; A115-N150 WeakPolarHBondContact CB-O 3.45Å; A115-N150 PolarHBondContact N-O 3.29Å; A115-M152 HydrophobicContact CB-SD 3.79Å; A115-T155 HydrophobicContact CB-CG2 3.62Å; A115-R163 PolarHBondContact O-NE 2.96Å; A115-I167 HydrophobicContact CB-CD1 3.66Å
116G91.4Very high89Confident4 Ų431.3 Ų31.34%0.04118%0.18CC..SBendtrans-54.4149.5178.300000112.6G118 E119 F120 R163G116-G118 PolarHBondContact O-N 2.84Å; G116-E119 PolarHBondContact O-N 2.71Å; G116-F120 PolarHBondContact O-N 3.44Å; G116-R163 PolarHBondContact O-NH2 2.9Å
117V88.8Confident88.6Confident94 Ų9435.9 Ų35.957%0.5720%0.202SC*.THydrogen-bonded Turntrans-66.4129176.8-176.80000108.9E119V117-E119 PolarHBondContact O-N 2.93Å
118G87.9Confident88.1Confident41 Ų4134.6 Ų34.642%0.42320%0.196SC..THydrogen-bonded Turntrans84.8-34.7-176.800000113.8G116 E121 A122G116-G118 PolarHBondContact O-N 2.84Å; G118-E121 WeakPolarHBondContact CA-OE2 3.49Å; G118-E121 PolarHBondContact N-OE2 2.84Å; G118-A122 VanDerWaalsContact O-CB 3.23Å; G118-A122 WeakPolarHBondContact O-CB 3.46Å; G118-A122 PolarHBondContact O-N 2.8Å
119E89.3Confident87.6Confident76 Ų7634.9 Ų34.936%0.35520%0.197SC..Hα-helixtrans-68.8-43.4178.2-64.1-167.3-173.500112.3A114 G116 V117 G123 K151A114-E119 HydrophobicContact CB-CB 3.87Å; A114-E119 WeakPolarHBondContact CB-OE2 3.33Å; G116-E119 PolarHBondContact O-N 2.71Å; V117-E119 PolarHBondContact O-N 2.93Å; E119-G123 PolarHBondContact O-N 3.3Å; E119-K151 IonicContact OE1-NZ 2.83Å; E119-K151 PolarHBondContact OE1-NZ 3.18Å; E119-K151 WeakPolarHBondContact OE2-CD 3.46Å; E119-K151 WeakPolarHBondContact OE2-CE 3.32Å; E119-K151 IonicContact OE2-NZ 3.3Å; E119-K151 PolarHBondContact OE2-NZ 3.15Å
120F91.9Very high87.1Confident4 Ų435.2 Ų35.22%0.01820%0.2CC..Hα-helixtrans-61.7-49176.4175-116.5000111V113 A114 G116 A122 G123 I124 R163 I167 E170 V171V113-F120 HydrophobicContact CG1-CD2 3.49Å; V113-F120 VanDerWaalsContact CG1-CD2 3.49Å; V113-F120 HydrophobicContact CG1-CE2 3.74Å; A114-F120 WeakPolarHBondContact O-CB 3.45Å; G116-F120 PolarHBondContact O-N 3.44Å; F120-A122 VanDerWaalsContact C-N 3.32Å; F120-A122 PolarHBondContact O-N 2.9Å; F120-G123 PolarHBondContact O-N 3.12Å; F120-G123 VanDerWaalsContact O-N 3.17Å; F120-I124 HydrophobicContact CE1-CG2 4.37Å; F120-I124 HydrophobicContact CE2-CD1 4.15Å; F120-I124 HydrophobicContact CZ-CD1 3.83Å; F120-I124 HydrophobicContact CZ-CG2 4.32Å; F120-I124 WeakPolarHBondContact O-CG2 3.31Å; F120-I124 PolarHBondContact O-N 3.28Å; F120-R163 VanDerWaalsContact CB-NH2 3.33Å; F120-I167 HydrophobicContact CD1-CG1 4.03Å; F120-I167 HydrophobicContact CD2-CD1 4.46Å; F120-I167 HydrophobicContact CD2-CG1 3.95Å; F120-I167 HydrophobicContact CD2-CG2 4.1Å; F120-I167 HydrophobicContact CE1-CG1 4.14Å; F120-I167 HydrophobicContact CE2-CB 4.28Å; F120-I167 HydrophobicContact CE2-CG1 4.07Å; F120-I167 HydrophobicContact CE2-CG2 3.75Å; F120-I167 HydrophobicContact CG-CD1 4.41Å; F120-I167 HydrophobicContact CG-CG1 3.94Å; F120-I167 HydrophobicContact CZ-CB 4.37Å; F120-I167 HydrophobicContact CZ-CG1 4.16Å; F120-I167 HydrophobicContact CZ-CG2 4.26Å; F120-E170 HydrophobicContact CE1-CB 4.25Å; F120-E170 HydrophobicContact CE1-CG 4.47Å; F120-E170 WeakPolarHBondContact CE1-OE2 3.32Å; F120-E170 HydrophobicContact CZ-CB 3.82Å; F120-V171 HydrophobicContact CE2-CG2 3.76Å; F120-V171 HydrophobicContact CZ-CG2 4.18Å
121E91.3Very high86.4Confident74 Ų7438.8 Ų38.835%0.34621%0.212SC..Hα-helixtrans-62.7-40.7-178.3-66.774.8-164.700110.8G118 S125 R163G118-E121 WeakPolarHBondContact CA-OE2 3.49Å; G118-E121 PolarHBondContact N-OE2 2.84Å; E121-S125 WeakPolarHBondContact O-CB 3.25Å; E121-S125 PolarHBondContact O-N 3.34Å; E121-R163 IonicContact OE1-CZ 2.99Å; E121-R163 VanDerWaalsContact OE1-CZ 3.3Å; E121-R163 IonicContact OE1-NH1 3.69Å; E121-R163 PolarHBondContact OE1-NH1 3.19Å; E121-R163 IonicContact OE1-NH2 3.08Å; E121-R163 PolarHBondContact OE1-NH2 2.95Å; E121-R163 IonicContact OE2-NH2 2.82Å; E121-R163 PolarHBondContact OE2-NH2 3.33Å; E121-R163 VanDerWaalsContact OE2-NH2 3.13Å
122A87.1Confident85.6Confident43 Ų4340 Ų4036%0.35522%0.218SC..Hα-helixtrans-61.8-46.9173.500000111.7G118 F120 I124 S125 G128G118-A122 VanDerWaalsContact O-CB 3.23Å; G118-A122 WeakPolarHBondContact O-CB 3.46Å; G118-A122 PolarHBondContact O-N 2.8Å; F120-A122 VanDerWaalsContact C-N 3.32Å; F120-A122 PolarHBondContact O-N 2.9Å; A122-I124 PolarHBondContact O-N 3.4Å; A122-S125 WeakPolarHBondContact O-CB 3.41Å; A122-S125 PolarHBondContact O-N 2.82Å; A122-S125 PolarHBondContact O-OG 2.94Å; A122-G128 VanDerWaalsContact O-CA 3.31Å; A122-G128 WeakPolarHBondContact O-CA 3.34Å
123G83.8Confident85.1Confident2 Ų240 Ų402%0.02122%0.218CC..Hα-helixtrans-66.1-34.1-179.100000114.1E119 F120 G128 T130E119-G123 PolarHBondContact O-N 3.3Å; F120-G123 PolarHBondContact O-N 3.12Å; F120-G123 VanDerWaalsContact O-N 3.17Å; G123-G128 CarbonylContact O-C 3.18Å; G123-G128 VanDerWaalsContact O-CA 3.25Å; G123-G128 WeakPolarHBondContact O-CA 3.46Å; G123-T130 VanDerWaalsContact O-CB 3.24Å; G123-T130 WeakPolarHBondContact O-CB 3.42Å; G123-T130 PolarHBondContact O-N 2.88Å; G123-T130 PolarHBondContact O-OG1 2.95Å
124I85.5Confident84.6Confident15 Ų1539.9 Ų39.98%0.07722%0.217CC..Hα-helixtrans-93.4-1.5177.4-150.3165.1000113.2F120 A122 R131 E170 V171F120-I124 HydrophobicContact CE1-CG2 4.37Å; F120-I124 HydrophobicContact CE2-CD1 4.15Å; F120-I124 HydrophobicContact CZ-CD1 3.83Å; F120-I124 HydrophobicContact CZ-CG2 4.32Å; F120-I124 WeakPolarHBondContact O-CG2 3.31Å; F120-I124 PolarHBondContact O-N 3.28Å; A122-I124 PolarHBondContact O-N 3.4Å; I124-R131 HydrophobicContact CG1-CG 4.11Å; I124-R131 VanDerWaalsContact O-CD 3.25Å; I124-R131 WeakPolarHBondContact O-CD 3.43Å; I124-R131 PolarHBondContact O-NE 3.21Å; I124-R131 PolarHBondContact O-NH1 3.33Å; I124-R131 PolarHBondContact O-NH2 2.87Å; I124-R131 VanDerWaalsContact O-NH2 3.12Å; I124-E170 HydrophobicContact CD1-CB 4.4Å; I124-V171 HydrophobicContact CD1-CG2 4.48Å
125S82.1Confident84.1Confident42 Ų4241.1 Ų41.129%0.29422%0.222SC..SBendtrans-62.8171.8176.176.50000112.2E121 A122 N127 G128E121-S125 WeakPolarHBondContact O-CB 3.25Å; E121-S125 PolarHBondContact O-N 3.34Å; A122-S125 WeakPolarHBondContact O-CB 3.41Å; A122-S125 PolarHBondContact O-N 2.82Å; A122-S125 PolarHBondContact O-OG 2.94Å; S125-N127 PolarHBondContact O-N 2.86Å; S125-N127 PolarHBondContact OG-N 3.41Å; S125-G128 PolarHBondContact O-N 2.86Å; S125-G128 VanDerWaalsContact O-N 3.09Å; S125-G128 PolarHBondContact OG-N 2.77Å
126K70.8Confident83.3Confident199 Ų19941.1 Ų41.187%0.86522%0.222SC*.THydrogen-bonded Turntrans-59.2-29.2173.4-70.4-176.6-178.51770112.8
127N71.6Confident83Confident107 Ų10740.9 Ų40.957%0.57222%0.22SC*.THydrogen-bonded Turntrans-92.8-10.5178.4-71.8-36000113.1R93 S125R93-N127 VanDerWaalsContact NH2-CA 3.28Å; R93-N127 PolarHBondContact NH2-O 3.37Å; R93-N127 PolarHBondContact NH2-OD1 3.41Å; S125-N127 PolarHBondContact O-N 2.86Å; S125-N127 PolarHBondContact OG-N 3.41Å
128G74.4Confident82.8Confident4 Ų440.6 Ų40.64%0.04121%0.21CC..  trans-73.1145.7-17800000112.6A122 G123 S125A122-G128 VanDerWaalsContact O-CA 3.31Å; A122-G128 WeakPolarHBondContact O-CA 3.34Å; G123-G128 CarbonylContact O-C 3.18Å; G123-G128 VanDerWaalsContact O-CA 3.25Å; G123-G128 WeakPolarHBondContact O-CA 3.46Å; S125-G128 PolarHBondContact O-N 2.86Å; S125-G128 VanDerWaalsContact O-N 3.09Å; S125-G128 PolarHBondContact OG-N 2.77Å
129Q79.2Confident82.2Confident9 Ų939.4 Ų39.44%0.04219%0.194CC..Hα-helixtrans-90.1-15.8-173.2-63.1145.6-20.200113.1H15 G91 R131 E132 H133H15-Q129 PolarHBondContact ND1-N 2.97Å; H15-Q129 PolarHBondContact ND1-OE1 3.37Å; G91-Q129 PolarHBondContact O-NE2 3.34Å; G91-Q129 PolarHBondContact O-OE1 2.78Å; Q129-R131 PolarHBondContact O-N 3.22Å; Q129-E132 PolarHBondContact O-N 2.82Å; Q129-H133 VanDerWaalsContact O-CB 3.23Å; Q129-H133 WeakPolarHBondContact O-CB 3.11Å; Q129-H133 PolarHBondContact O-N 2.87Å
130T83.2Confident81.5Confident7 Ų735.9 Ų35.94%0.04318%0.178CC..Hα-helixtrans-54.2-39.8176.2-55.20000110.3L111 V113 G123 A134L111-T130 HydrophobicContact CD1-CG2 3.97Å; L111-T130 HydrophobicContact CD2-CG2 4.04Å; L111-T130 HydrophobicContact CG-CG2 4.27Å; V113-T130 HydrophobicContact CG2-CG2 4Å; G123-T130 VanDerWaalsContact O-CB 3.24Å; G123-T130 WeakPolarHBondContact O-CB 3.42Å; G123-T130 PolarHBondContact O-N 2.88Å; G123-T130 PolarHBondContact O-OG1 2.95Å; T130-A134 WeakPolarHBondContact O-CB 3.01Å; T130-A134 PolarHBondContact O-N 3.21Å
131R80.3Confident80.7Confident81 Ų8136.5 Ų36.531%0.30619%0.185SC..Hα-helixtrans-66.9-53.2177.6-74.5-160.2166.6165.312.9113.1I124 Q129 L135 Y174I124-R131 HydrophobicContact CG1-CG 4.11Å; I124-R131 VanDerWaalsContact O-CD 3.25Å; I124-R131 WeakPolarHBondContact O-CD 3.43Å; I124-R131 PolarHBondContact O-NE 3.21Å; I124-R131 PolarHBondContact O-NH1 3.33Å; I124-R131 PolarHBondContact O-NH2 2.87Å; I124-R131 VanDerWaalsContact O-NH2 3.12Å; Q129-R131 PolarHBondContact O-N 3.22Å; R131-L135 WeakPolarHBondContact O-CB 3.3Å; R131-L135 PolarHBondContact O-N 2.83Å; R131-L135 VanDerWaalsContact O-N 3.14Å; R131-Y174 VanDerWaalsContact CA-CE1 3.46Å; R131-Y174 WeakPolarHBondContact CA-OH 3.3Å; R131-Y174 HydrophobicContact CB-CE1 3.78Å; R131-Y174 HydrophobicContact CB-CE2 4.17Å; R131-Y174 VanDerWaalsContact CB-CZ 3.45Å; R131-Y174 WeakPolarHBondContact CB-OH 3.33Å; R131-Y174 HydrophobicContact CG-CD1 4.16Å; R131-Y174 HydrophobicContact CG-CD2 4.12Å; R131-Y174 HydrophobicContact CG-CE1 3.58Å; R131-Y174 HydrophobicContact CG-CE2 3.55Å; R131-Y174 HydrophobicContact CG-CG 4.42Å; R131-Y174 VanDerWaalsContact NE-CD2 3.33Å; R131-Y174 PolarHBondContact O-OH 3.42Å
132E78.3Confident80.5Confident27 Ų2733.1 Ų33.113%0.12617%0.169CC..Hα-helixtrans-60.1-47.9179.8-175.3170.6-162.300111.1I96 Q129 A134 L135 L136I96-E132 VanDerWaalsContact CD1-OE1 3.25Å; I96-E132 WeakPolarHBondContact CD1-OE1 3.46Å; Q129-E132 PolarHBondContact O-N 2.82Å; E132-A134 PolarHBondContact O-N 3.4Å; E132-L135 PolarHBondContact O-N 3.34Å; E132-L136 HydrophobicContact CG-CD1 3.99Å; E132-L136 HydrophobicContact CG-CG 4.38Å; E132-L136 WeakPolarHBondContact O-CB 3.42Å; E132-L136 VanDerWaalsContact O-CG 3.24Å; E132-L136 WeakPolarHBondContact O-CG 3.49Å; E132-L136 PolarHBondContact O-N 3.09Å
133H84.1Confident80.4Confident2 Ų238.3 Ų38.31%0.00918%0.184CC..Hα-helixtrans-63.6-42.5-178.6-69169.4000113.2I13 G14 M99 Q129 L135 L136 A137I13-H133 HydrophobicContact CB-CB 4.08Å; I13-H133 HydrophobicContact CD1-CB 4.15Å; I13-H133 HydrophobicContact CG1-CB 4.49Å; G14-H133 PolarHBondContact N-ND1 3.25Å; G14-H133 PolarHBondContact O-CE1 2.65Å; G14-H133 PolarHBondContact O-ND1 2.95Å; G14-H133 VanDerWaalsContact O-ND1 3.1Å; M99-H133 HydrophobicContact CE-CB 3.46Å; M99-H133 VanDerWaalsContact CE-CB 3.46Å; M99-H133 HydrophobicContact SD-CB 4.4Å; M99-H133 PolarHBondContact SD-CD2 2.99Å; Q129-H133 VanDerWaalsContact O-CB 3.23Å; Q129-H133 WeakPolarHBondContact O-CB 3.11Å; Q129-H133 PolarHBondContact O-N 2.87Å; H133-L135 VanDerWaalsContact C-N 3.33Å; H133-L135 PolarHBondContact O-N 2.95Å; H133-L136 PolarHBondContact O-N 3.07Å; H133-A137 WeakPolarHBondContact O-CB 3.47Å; H133-A137 PolarHBondContact O-N 3.04Å
134A86.1Confident80.7Confident0 Ų039.5 Ų39.50%019%0.189CC..Hα-helixtrans-65.3-38.6177.100000111.8L111 T130 E132 Y138 I178L111-A134 HydrophobicContact CD2-CB 4.32Å; T130-A134 WeakPolarHBondContact O-CB 3.01Å; T130-A134 PolarHBondContact O-N 3.21Å; E132-A134 PolarHBondContact O-N 3.4Å; A134-Y138 PolarHBondContact O-N 3.2Å; A134-I178 HydrophobicContact CB-CD1 3.53Å
135L82.7Confident81.2Confident32 Ų3238.9 Ų38.917%0.16819%0.186CC..Hα-helixtrans-66.2-42.9174.6177.161.1000111.8R131 E132 H133 Y138 T139 I178 L344R131-L135 WeakPolarHBondContact O-CB 3.3Å; R131-L135 PolarHBondContact O-N 2.83Å; R131-L135 VanDerWaalsContact O-N 3.14Å; E132-L135 PolarHBondContact O-N 3.34Å; H133-L135 VanDerWaalsContact C-N 3.33Å; H133-L135 PolarHBondContact O-N 2.95Å; L135-Y138 PolarHBondContact O-N 3.11Å; L135-T139 WeakPolarHBondContact O-CB 3.27Å; L135-T139 PolarHBondContact O-N 3.01Å; L135-T139 PolarHBondContact O-OG1 3.07Å; L135-I178 HydrophobicContact CB-CD1 4.44Å; L135-I178 HydrophobicContact CD1-CG2 4.04Å; L135-L344 HydrophobicContact CD2-CD2 3.44Å; L135-L344 VanDerWaalsContact CD2-CD2 3.44Å; L135-L344 HydrophobicContact CG-CD2 4.36Å
136L80.3Confident81.9Confident0 Ų037 Ų370%017%0.173CC..Hα-helixtrans-61.2-48.6175.7-72174.8000110.6I96 M99 E132 H133 Y138 T139 L140 L344 V432I96-L136 HydrophobicContact CG2-CD1 3.75Å; M99-L136 HydrophobicContact CE-CB 4.43Å; M99-L136 HydrophobicContact SD-CB 4.4Å; M99-L136 HydrophobicContact SD-CD1 3.64Å; E132-L136 HydrophobicContact CG-CD1 3.99Å; E132-L136 HydrophobicContact CG-CG 4.38Å; E132-L136 WeakPolarHBondContact O-CB 3.42Å; E132-L136 VanDerWaalsContact O-CG 3.24Å; E132-L136 WeakPolarHBondContact O-CG 3.49Å; E132-L136 PolarHBondContact O-N 3.09Å; H133-L136 PolarHBondContact O-N 3.07Å; L136-Y138 VanDerWaalsContact C-N 3.32Å; L136-Y138 PolarHBondContact O-N 3.47Å; L136-T139 PolarHBondContact O-N 3.11Å; L136-L140 VanDerWaalsContact O-CB 3.23Å; L136-L140 WeakPolarHBondContact O-CB 3.32Å; L136-L140 WeakPolarHBondContact O-CG 3.2Å; L136-L140 PolarHBondContact O-N 3.14Å; L136-L344 HydrophobicContact CD2-CD1 3.88Å; L136-V432 HydrophobicContact CD2-CB 4.44Å; L136-V432 HydrophobicContact CD2-CG1 3.32Å; L136-V432 HydrophobicContact CD2-CG2 4.39Å
137A85.1Confident83.1Confident0 Ų027.5 Ų27.50%013%0.131CC..Hα-helixtrans-57-44.5176.700000112.5I13 T103 A109 H133 L140 G141 V142I13-A137 HydrophobicContact CD1-CB 3.96Å; T103-A137 HydrophobicContact CG2-CB 4.06Å; A109-A137 HydrophobicContact CB-CB 4.18Å; H133-A137 WeakPolarHBondContact O-CB 3.47Å; H133-A137 PolarHBondContact O-N 3.04Å; A137-L140 CarbonylContact O-C 3.41Å; A137-L140 PolarHBondContact O-N 3.31Å; A137-G141 PolarHBondContact O-N 3.25Å; A137-G141 VanDerWaalsContact O-N 3.13Å; A137-V142 HydrophobicContact CB-CB 4.32Å; A137-V142 WeakPolarHBondContact O-CB 3.47Å; A137-V142 PolarHBondContact O-N 3.08Å
138Y84.5Confident84.3Confident87 Ų8722.4 Ų22.434%0.34110%0.104SC..Hα-helixtrans-66.8-43178.9-171.4-100.8000112.3A134 L135 L136 L140 G141 I178 G179 Y180A134-Y138 PolarHBondContact O-N 3.2Å; L135-Y138 PolarHBondContact O-N 3.11Å; L136-Y138 VanDerWaalsContact C-N 3.32Å; L136-Y138 PolarHBondContact O-N 3.47Å; Y138-L140 VanDerWaalsContact C-N 3.32Å; Y138-G141 VanDerWaalsContact O-CA 3.26Å; Y138-G141 WeakPolarHBondContact O-CA 3.48Å; Y138-G141 PolarHBondContact O-N 3.31Å; Y138-I178 HydrophobicContact CD1-CG2 3.91Å; Y138-I178 HydrophobicContact CD2-CG2 4.45Å; Y138-I178 HydrophobicContact CG-CG2 3.71Å; Y138-G179 PolarHBondContact OH-O 3.02Å; Y138-Y180 WeakPolarHBondContact CA-OH 3.47Å; Y138-Y180 AromaticContact CD2-CD1 4Å; Y138-Y180 HydrophobicContact CD2-CD1 4Å; Y138-Y180 AromaticContact CD2-CD2 3.99Å; Y138-Y180 HydrophobicContact CD2-CD2 3.99Å; Y138-Y180 AromaticContact CD2-CE1 3.81Å; Y138-Y180 HydrophobicContact CD2-CE1 3.81Å; Y138-Y180 AromaticContact CD2-CE2 3.82Å; Y138-Y180 HydrophobicContact CD2-CE2 3.82Å; Y138-Y180 HydrophobicContact CD2-CG 4.08Å; Y138-Y180 AromaticContact CD2-CZ 3.72Å; Y138-Y180 HydrophobicContact CE2-CD1 4.48Å; Y138-Y180 HydrophobicContact CG-CE2 4.12Å; Y138-Y180 PolarHBondContact N-OH 2.92Å; Y138-Y180 VanDerWaalsContact N-OH 3.12Å
139T75.6Confident85.4Confident16 Ų1622.2 Ų22.210%0.09810%0.102CC..Hα-helixtrans-67.6-37.5179.6-52.10000111.2L135 L136 G141 V432 V434L135-T139 WeakPolarHBondContact O-CB 3.27Å; L135-T139 PolarHBondContact O-N 3.01Å; L135-T139 PolarHBondContact O-OG1 3.07Å; L136-T139 PolarHBondContact O-N 3.11Å; T139-G141 PolarHBondContact O-N 3.29Å; T139-G141 VanDerWaalsContact O-N 3.16Å; T139-V432 HydrophobicContact CG2-CB 3.88Å; T139-V432 HydrophobicContact CG2-CG2 3.7Å; T139-V434 HydrophobicContact CG2-CG1 4.26Å
140L74.4Confident86.2Confident3 Ų322 Ų222%0.01610%0.101CC..THydrogen-bonded Turntrans-76.311170.7-63.2175.2000112.2I100 T103 L136 A137 Y138 V142 R420I100-L140 HydrophobicContact CB-CD1 4.27Å; I100-L140 HydrophobicContact CG1-CD1 4.33Å; I100-L140 HydrophobicContact CG2-CD1 4.09Å; I100-L140 HydrophobicContact CG2-CD2 4.25Å; T103-L140 HydrophobicContact CG2-CB 3.95Å; T103-L140 HydrophobicContact CG2-CD1 3.68Å; T103-L140 HydrophobicContact CG2-CG 4.45Å; L136-L140 VanDerWaalsContact O-CB 3.23Å; L136-L140 WeakPolarHBondContact O-CB 3.32Å; L136-L140 WeakPolarHBondContact O-CG 3.2Å; L136-L140 PolarHBondContact O-N 3.14Å; A137-L140 CarbonylContact O-C 3.41Å; A137-L140 PolarHBondContact O-N 3.31Å; Y138-L140 VanDerWaalsContact C-N 3.32Å; L140-V142 VanDerWaalsContact C-N 3.31Å; L140-V142 PolarHBondContact O-N 3.36Å; L140-R420 VanDerWaalsContact C-NH1 3.34Å; L140-R420 HydrophobicContact CD2-CB 4.09Å; L140-R420 WeakPolarHBondContact O-CD 3.36Å; L140-R420 VanDerWaalsContact O-CZ 3.26Å; L140-R420 PolarHBondContact O-NH1 3.47Å
141G74.9Confident86.8Confident16 Ų1623.8 Ų23.817%0.16511%0.108CC..THydrogen-bonded Turntrans63.425.2168.900000116.5A137 Y138 T139 K143A137-G141 PolarHBondContact O-N 3.25Å; A137-G141 VanDerWaalsContact O-N 3.13Å; Y138-G141 VanDerWaalsContact O-CA 3.26Å; Y138-G141 WeakPolarHBondContact O-CA 3.48Å; Y138-G141 PolarHBondContact O-N 3.31Å; T139-G141 PolarHBondContact O-N 3.29Å; T139-G141 VanDerWaalsContact O-N 3.16Å; G141-K143 PolarHBondContact O-N 3.43Å; G141-K143 VanDerWaalsContact O-N 3.14Å
142V85.6Confident87.6Confident3 Ų319.9 Ų19.92%0.0189%0.094CC..  trans-73.695.4162.4-172.60000107.2T103 A106 C108 A109 A137 L140 Y180T103-V142 HydrophobicContact CG2-CG2 3.68Å; T103-V142 WeakPolarHBondContact O-CG2 3.29Å; A106-V142 HydrophobicContact CB-CG2 4.18Å; C108-V142 VanDerWaalsContact C-CG1 3.48Å; A109-V142 HydrophobicContact CB-CG1 3.81Å; A109-V142 VanDerWaalsContact N-CG1 3.32Å; A137-V142 HydrophobicContact CB-CB 4.32Å; A137-V142 WeakPolarHBondContact O-CB 3.47Å; A137-V142 PolarHBondContact O-N 3.08Å; L140-V142 VanDerWaalsContact C-N 3.31Å; L140-V142 PolarHBondContact O-N 3.36Å; V142-Y180 WeakPolarHBondContact O-CE1 3.28Å; V142-Y180 PolarHBondContact O-OH 3.32Å
143K85.8Confident88.4Confident153 Ų15320.5 Ų20.567%0.66510%0.098SC*.  trans-85-15.9-175.3-66.1-174.6-179.2179.90113.6G141G141-K143 PolarHBondContact O-N 3.43Å; G141-K143 VanDerWaalsContact O-N 3.14Å
144Q91.2Very high88.8Confident26 Ų2623.3 Ų23.312%0.12112%0.117CC..EExtended strand (participates in β ladder)trans-98.5123178.2-59.4-167.283.700109.9C108 A109 R215 L233C108-Q144 WeakPolarHBondContact CA-O 3.37Å; C108-Q144 HydrophobicContact CB-CB 4.05Å; C108-Q144 PolarHBondContact SG-O 3.43Å; A109-Q144 PolarHBondContact N-O 2.54Å; Q144-R215 VanDerWaalsContact OE1-NH1 3.1Å; Q144-L233 PolarHBondContact NE2-O 2.78Å
145L94.9Very high89.2Confident2 Ų223.4 Ų23.41%0.0112%0.118CC..EExtended strand (participates in β ladder)trans-127.2137.6-178.3-174.270.5000109.8A109 L111 V147 I175 Y180 V185A109-L145 HydrophobicContact CB-CD1 3.85Å; A109-L145 WeakPolarHBondContact O-CA 3.49Å; L111-L145 HydrophobicContact CB-CD1 3.97Å; L145-V147 HydrophobicContact CD2-CG2 4.31Å; L145-V147 HydrophobicContact CG-CG2 4.39Å; L145-I175 HydrophobicContact CD2-CB 4.45Å; L145-I175 HydrophobicContact CD2-CD1 4.37Å; L145-I175 HydrophobicContact CD2-CG2 3.99Å; L145-Y180 HydrophobicContact CB-CD1 4Å; L145-Y180 HydrophobicContact CB-CE1 3.82Å; L145-Y180 HydrophobicContact CD2-CD1 4.36Å; L145-Y180 HydrophobicContact CD2-CD2 4.06Å; L145-Y180 HydrophobicContact CD2-CE1 4.38Å; L145-Y180 HydrophobicContact CD2-CE2 4.06Å; L145-Y180 HydrophobicContact CD2-CG 4.19Å; L145-V185 HydrophobicContact CB-CG1 4.48Å; L145-V185 HydrophobicContact CB-CG2 4.06Å; L145-V185 HydrophobicContact CD2-CG1 4.44Å; L145-V185 HydrophobicContact CD2-CG2 4.46Å; L145-V185 HydrophobicContact CG-CG1 4.38Å; L145-V185 WeakPolarHBondContact O-CG1 3.49Å
146I96.4Very high89.7Confident3 Ų329.4 Ų29.42%0.01515%0.145CC..EExtended strand (participates in β ladder)trans-120.2138.9167.8-63.8165.5000106.9A109 V110 L111 V188 L225 A228 L229 I232A109-I146 PolarHBondContact O-N 3.17Å; V110-I146 CarbonylContact C-O 3.51Å; V110-I146 WeakPolarHBondContact CA-O 3.19Å; V110-I146 HydrophobicContact CG2-CB 4.35Å; L111-I146 PolarHBondContact N-O 3.39Å; I146-V188 HydrophobicContact CG2-CG2 4.5Å; I146-L225 HydrophobicContact CG2-CD1 3.94Å; I146-A228 HydrophobicContact CD1-CB 4.16Å; I146-A228 VanDerWaalsContact CD1-O 3.31Å; I146-A228 WeakPolarHBondContact CD1-O 3.33Å; I146-A228 HydrophobicContact CG2-CB 4.06Å; I146-L229 HydrophobicContact CD1-CD2 3.83Å; I146-I232 HydrophobicContact CD1-CD1 4.12Å; I146-I232 HydrophobicContact CD1-CG1 4.03Å
147V97Very high90.3Very high0 Ų033.7 Ų33.70%017%0.173CC..EExtended strand (participates in β ladder)trans-113.6114.9178.2179.10000109.2L111 V113 L145 V149 V171 V185 A186 F187 V188L111-V147 HydrophobicContact CB-CG2 4.37Å; L111-V147 HydrophobicContact CD2-CG2 4.37Å; L111-V147 CarbonylContact O-C 3.59Å; L111-V147 WeakPolarHBondContact O-CA 3.19Å; V113-V147 HydrophobicContact CG2-CG1 4.04Å; L145-V147 HydrophobicContact CD2-CG2 4.31Å; L145-V147 HydrophobicContact CG-CG2 4.39Å; V147-V149 HydrophobicContact CG1-CG2 4.27Å; V147-V171 HydrophobicContact CG1-CG1 4.35Å; V147-V171 HydrophobicContact CG2-CG1 4.34Å; V147-V185 HydrophobicContact CB-CG1 4.43Å; V147-V185 HydrophobicContact CG2-CG1 3.68Å; V147-A186 PolarHBondContact N-O 3.21Å; V147-F187 HydrophobicContact CB-CD1 3.62Å; V147-F187 HydrophobicContact CB-CE1 3.81Å; V147-F187 HydrophobicContact CB-CG 4.26Å; V147-F187 HydrophobicContact CG1-CD1 3.66Å; V147-F187 HydrophobicContact CG1-CE1 3.82Å; V147-F187 HydrophobicContact CG2-CD1 4.16Å; V147-F187 HydrophobicContact CG2-CE1 3.83Å; V147-F187 HydrophobicContact CG2-CZ 4.23Å; V147-F187 WeakPolarHBondContact O-CA 3.36Å; V147-V188 PolarHBondContact O-N 2.8Å
148G96.9Very high90.7Very high0 Ų037.8 Ų37.80%020%0.2CC..EExtended strand (participates in β ladder)trans-94.1107.3170.800000109.9L111 I112 V113 N150 V188L111-G148 PolarHBondContact O-N 2.98Å; I112-G148 WeakPolarHBondContact CA-O 3.11Å; V113-G148 PolarHBondContact N-O 3.16Å; G148-N150 PolarHBondContact O-N 3.11Å; G148-V188 CarbonylContact C-O 3.53Å; G148-V188 WeakPolarHBondContact CA-O 3.31Å
149V97.2Very high91.2Very high0 Ų035.2 Ų35.20%019%0.189CC..EExtended strand (participates in β ladder)trans-8194173.3-176.60000107.4V113 A115 V147 M152 Y164 I167 V188 P189 I190V113-V149 CarbonylContact O-C 3.46Å; V113-V149 WeakPolarHBondContact O-CA 3.28Å; A115-V149 HydrophobicContact CB-CG1 3.88Å; V147-V149 HydrophobicContact CG1-CG2 4.27Å; V149-M152 HydrophobicContact CG1-SD 3.84Å; V149-M152 WeakPolarHBondContact O-CG 3.01Å; V149-Y164 HydrophobicContact CB-CD2 4.06Å; V149-Y164 HydrophobicContact CB-CE2 4.24Å; V149-Y164 HydrophobicContact CG1-CD2 4.13Å; V149-Y164 HydrophobicContact CG2-CD2 4.04Å; V149-Y164 HydrophobicContact CG2-CE2 3.93Å; V149-I167 HydrophobicContact CG1-CD1 3.93Å; V149-I167 HydrophobicContact CG1-CG2 4.07Å; V149-I167 HydrophobicContact CG2-CG2 4.02Å; V149-V188 PolarHBondContact N-O 2.91Å; V149-P189 WeakPolarHBondContact O-CA 3.32Å; V149-I190 PolarHBondContact O-N 2.84Å
150N96.4Very high92.2Very high5 Ų535.2 Ų35.23%0.02719%0.19CC..EExtended strand (participates in β ladder)trans-91.1166.3-169.7-165.223.8000112.7S18 T23 I112 V113 A114 A115 G148 M152 I190 G192S18-N150 PolarHBondContact O-ND2 3.02Å; T23-N150 PolarHBondContact OG1-ND2 2.87Å; I112-N150 HydrophobicContact CG2-CB 3.7Å; V113-N150 PolarHBondContact O-N 3.23Å; A114-N150 CarbonylContact C-O 3.49Å; A115-N150 VanDerWaalsContact CB-O 3.28Å; A115-N150 WeakPolarHBondContact CB-O 3.45Å; A115-N150 PolarHBondContact N-O 3.29Å; G148-N150 PolarHBondContact O-N 3.11Å; N150-M152 VanDerWaalsContact C-N 3.29Å; N150-M152 PolarHBondContact O-N 3.03Å; N150-I190 CarbonylContact C-O 3.57Å; N150-I190 WeakPolarHBondContact CA-O 3.35Å; N150-I190 HydrophobicContact CB-CD1 4.31Å; N150-I190 HydrophobicContact CB-CG1 4.03Å; N150-G192 PolarHBondContact OD1-N 3.28Å
151K95.8Very high93.3Very high43 Ų4339 Ų3919%0.18721%0.208CC..  trans58.937-176.8-50.3-170-174.7176.60113.1D17 A114 E119 D153 S154 I190D17-K151 WeakPolarHBondContact O-CE 3.27Å; D17-K151 PolarHBondContact O-NZ 3.37Å; A114-K151 HydrophobicContact CB-CD 4.28Å; E119-K151 IonicContact OE1-NZ 2.83Å; E119-K151 PolarHBondContact OE1-NZ 3.18Å; E119-K151 WeakPolarHBondContact OE2-CD 3.46Å; E119-K151 WeakPolarHBondContact OE2-CE 3.32Å; E119-K151 IonicContact OE2-NZ 3.3Å; E119-K151 PolarHBondContact OE2-NZ 3.15Å; K151-D153 WeakPolarHBondContact CA-OD1 3.48Å; K151-D153 PolarHBondContact O-N 2.59Å; K151-S154 PolarHBondContact O-N 3.29Å; K151-I190 PolarHBondContact N-O 3.17Å
152M96.8Very high94.3Very high0 Ų046.4 Ų46.40%024%0.236CC..G310 helixtrans-61.2-27.5175.4-74-61.7-56.500112.7A115 V149 N150 S154 T155 Y159 P189 I190 M205 W207A115-M152 HydrophobicContact CB-SD 3.79Å; V149-M152 HydrophobicContact CG1-SD 3.84Å; V149-M152 WeakPolarHBondContact O-CG 3.01Å; N150-M152 VanDerWaalsContact C-N 3.29Å; N150-M152 PolarHBondContact O-N 3.03Å; M152-S154 PolarHBondContact O-N 3.37Å; M152-T155 HydrophobicContact CE-CG2 4.36Å; M152-T155 PolarHBondContact O-N 2.8Å; M152-T155 PolarHBondContact O-OG1 3.32Å; M152-T155 VanDerWaalsContact O-OG1 3.08Å; M152-T155 HydrophobicContact SD-CG2 4.25Å; M152-Y159 HydrophobicContact CB-CD1 3.93Å; M152-Y159 HydrophobicContact CB-CE1 4.34Å; M152-Y159 WeakPolarHBondContact O-CA 3.39Å; M152-Y159 PolarHBondContact O-N 2.9Å; M152-P189 HydrophobicContact CE-CB 4.43Å; M152-P189 HydrophobicContact CG-CB 3.88Å; M152-P189 HydrophobicContact SD-CB 4.21Å; M152-I190 PolarHBondContact N-O 3.02Å; M152-M205 HydrophobicContact CB-SD 4.15Å; M152-M205 HydrophobicContact CE-SD 4.41Å; M152-M205 HydrophobicContact CG-SD 4.23Å; M152-W207 HydrophobicContact CE-CH2 4.12Å; M152-W207 HydrophobicContact CE-CZ2 3.88Å
153D94Very high94.8Very high40 Ų4047.3 Ų47.321%0.21424%0.239CC..G310 helixtrans-61.5-26.7171.555-80.8000113.4K151 P158 Y159 S191 N194K151-D153 WeakPolarHBondContact CA-OD1 3.48Å; K151-D153 PolarHBondContact O-N 2.59Å; D153-P158 WeakPolarHBondContact O-CB 3.33Å; D153-Y159 HydrophobicContact CB-CE1 4.25Å; D153-Y159 HydrophobicContact CB-CE2 4.14Å; D153-S191 WeakPolarHBondContact OD1-CB 3.39Å; D153-S191 PolarHBondContact OD1-OG 3.04Å; D153-N194 WeakPolarHBondContact CB-ND2 3.39Å
154S93.4Very high95.3Very high60 Ų6041.1 Ų41.142%0.4221%0.211SC..G310 helixtrans-99.510.7-175.5-58.60000113.1K151 M152K151-S154 PolarHBondContact O-N 3.29Å; M152-S154 PolarHBondContact O-N 3.37Å
155T94.6Very high95.6Very high3 Ų344.8 Ų44.82%0.01823%0.229CC..SBendtrans-75.1163.8172.963.70000111A115 M152 P157 P158 Y159 S160 R163A115-T155 HydrophobicContact CB-CG2 3.62Å; M152-T155 HydrophobicContact CE-CG2 4.36Å; M152-T155 PolarHBondContact O-N 2.8Å; M152-T155 PolarHBondContact O-OG1 3.32Å; M152-T155 VanDerWaalsContact O-OG1 3.08Å; M152-T155 HydrophobicContact SD-CG2 4.25Å; T155-P157 VanDerWaalsContact C-C 3.41Å; T155-P157 CarbonylContact C-O 3.4Å; T155-P157 WeakPolarHBondContact CB-O 3.39Å; T155-P157 CarbonylContact O-C 2.94Å; T155-P157 VanDerWaalsContact O-O 3.1Å; T155-P157 PolarHBondContact OG1-O 3.4Å; T155-P158 VanDerWaalsContact O-CA 3.26Å; T155-P158 WeakPolarHBondContact O-CA 3.42Å; T155-Y159 PolarHBondContact OG1-N 2.78Å; T155-S160 PolarHBondContact OG1-N 3.24Å; T155-R163 HydrophobicContact CG2-CB 4.33Å; T155-R163 HydrophobicContact CG2-CG 3.9Å
156E91.8Very high95.6Very high158 Ų15848.7 Ų48.774%0.73825%0.247SC*.SBendtrans-116.2109.4175.2-67.2-179.2-16800110
157P93.8Very high95.6Very high89 Ų8948.5 Ų48.558%0.57825%0.246SC*.SBendcis-67.4164.2-9.231.4-36.7000112.7T155 S160T155-P157 VanDerWaalsContact C-C 3.41Å; T155-P157 CarbonylContact C-O 3.4Å; T155-P157 WeakPolarHBondContact CB-O 3.39Å; T155-P157 CarbonylContact O-C 2.94Å; T155-P157 VanDerWaalsContact O-O 3.1Å; T155-P157 PolarHBondContact OG1-O 3.4Å; P157-S160 WeakPolarHBondContact O-CB 3.24Å; P157-S160 PolarHBondContact O-N 2.82Å
158P93.9Very high95.5Very high86 Ų8650 Ų5056%0.55825%0.254SS*.THydrogen-bonded Turntrans-54.3140177.5-29.837.1000112.3D153 T155 S160D153-P158 WeakPolarHBondContact O-CB 3.33Å; T155-P158 VanDerWaalsContact O-CA 3.26Å; T155-P158 WeakPolarHBondContact O-CA 3.42Å; P158-S160 VanDerWaalsContact C-N 3.31Å; P158-S160 PolarHBondContact O-N 3.15Å
159Y95.1Very high95.5Very high33 Ų3357.3 Ų57.313%0.12929%0.287CS..THydrogen-bonded Turntrans57.836.9-178.8-55.6-83.3000114.4M152 D153 T155 Q161 N194 D196 N204 M205 W207M152-Y159 HydrophobicContact CB-CD1 3.93Å; M152-Y159 HydrophobicContact CB-CE1 4.34Å; M152-Y159 WeakPolarHBondContact O-CA 3.39Å; M152-Y159 PolarHBondContact O-N 2.9Å; D153-Y159 HydrophobicContact CB-CE1 4.25Å; D153-Y159 HydrophobicContact CB-CE2 4.14Å; T155-Y159 PolarHBondContact OG1-N 2.78Å; Y159-Q161 PolarHBondContact O-N 3.42Å; Y159-N194 PolarHBondContact OH-ND2 2.87Å; Y159-D196 HydrophobicContact CE1-CB 4.26Å; Y159-D196 WeakPolarHBondContact CE1-OD2 3.37Å; Y159-D196 PolarHBondContact OH-OD2 3.22Å; Y159-N204 HydrophobicContact CD1-CB 3.86Å; Y159-N204 HydrophobicContact CD2-CB 3.76Å; Y159-N204 HydrophobicContact CE1-CB 3.8Å; Y159-N204 HydrophobicContact CE2-CB 3.72Å; Y159-N204 HydrophobicContact CG-CB 3.81Å; Y159-N204 PolarHBondContact OH-ND2 2.92Å; Y159-M205 HydrophobicContact CD1-CE 3.97Å; Y159-M205 HydrophobicContact CD1-CG 3.64Å; Y159-M205 HydrophobicContact CD1-SD 3.87Å; Y159-M205 HydrophobicContact CE1-CE 4.17Å; Y159-M205 HydrophobicContact CG-CG 4.15Å; Y159-W207 PolarHBondContact O-NE1 3.45Å
160S96.4Very high95.3Very high17 Ų1761.2 Ų61.212%0.11931%0.305CS..  trans-69.3117.8-176.1173.80000113.2T155 P157 P158 K162 R163 Y164T155-S160 PolarHBondContact OG1-N 3.24Å; P157-S160 WeakPolarHBondContact O-CB 3.24Å; P157-S160 PolarHBondContact O-N 2.82Å; P158-S160 VanDerWaalsContact C-N 3.31Å; P158-S160 PolarHBondContact O-N 3.15Å; S160-K162 VanDerWaalsContact C-N 3.32Å; S160-K162 PolarHBondContact O-N 3.39Å; S160-K162 PolarHBondContact OG-N 3.15Å; S160-R163 PolarHBondContact O-N 3.46Å; S160-R163 PolarHBondContact OG-N 2.8Å; S160-Y164 PolarHBondContact O-N 2.78Å; S160-Y164 VanDerWaalsContact O-N 3.16Å
161Q96.3Very high95.1Very high83 Ų8361.1 Ų61.139%0.38830%0.304SS..Hα-helixtrans-58.6-42.7172.3-179.4175.8-3.600112Y159 R163 Y164 E165 W207Y159-Q161 PolarHBondContact O-N 3.42Å; Q161-R163 VanDerWaalsContact C-N 3.32Å; Q161-R163 PolarHBondContact O-N 3.42Å; Q161-Y164 WeakPolarHBondContact O-CB 3.2Å; Q161-Y164 PolarHBondContact O-N 2.93Å; Q161-E165 HydrophobicContact CG-CG 4.33Å; Q161-E165 WeakPolarHBondContact CG-OE1 3.47Å; Q161-E165 PolarHBondContact NE2-OE1 3.36Å; Q161-E165 WeakPolarHBondContact O-CG 3.45Å; Q161-E165 PolarHBondContact O-N 3.47Å; Q161-W207 HydrophobicContact CB-CD2 3.56Å; Q161-W207 HydrophobicContact CB-CE3 3.78Å; Q161-W207 HydrophobicContact CB-CG 3.91Å; Q161-W207 HydrophobicContact CB-CH2 4.46Å; Q161-W207 HydrophobicContact CB-CZ2 4.25Å; Q161-W207 HydrophobicContact CB-CZ3 4.23Å; Q161-W207 HydrophobicContact CG-CD2 3.85Å; Q161-W207 HydrophobicContact CG-CE3 3.56Å; Q161-W207 HydrophobicContact CG-CG 4.31Å; Q161-W207 HydrophobicContact CG-CZ3 4.03Å
162K96.6Very high95.1Very high171 Ų17160.2 Ų60.274%0.74330%0.303SS*.Hα-helixtrans-60.5-42.7-178.1-177-177.6176.1-1740111.5S160 E165 E166S160-K162 VanDerWaalsContact C-N 3.32Å; S160-K162 PolarHBondContact O-N 3.39Å; S160-K162 PolarHBondContact OG-N 3.15Å; K162-E165 PolarHBondContact O-N 3.03Å; K162-E166 PolarHBondContact O-N 2.99Å; K162-E166 VanDerWaalsContact O-N 3.09Å
163R95.9Very high94.9Very high21 Ų2163.3 Ų63.38%0.07932%0.322CS..Hα-helixtrans-66.6-41.7177.5-178.553.8170-177.3-5.1111.4A115 G116 F120 E121 T155 S160 Q161 E166 I167A115-R163 PolarHBondContact O-NE 2.96Å; G116-R163 PolarHBondContact O-NH2 2.9Å; F120-R163 VanDerWaalsContact CB-NH2 3.33Å; E121-R163 IonicContact OE1-CZ 2.99Å; E121-R163 VanDerWaalsContact OE1-CZ 3.3Å; E121-R163 IonicContact OE1-NH1 3.69Å; E121-R163 PolarHBondContact OE1-NH1 3.19Å; E121-R163 IonicContact OE1-NH2 3.08Å; E121-R163 PolarHBondContact OE1-NH2 2.95Å; E121-R163 IonicContact OE2-NH2 2.82Å; E121-R163 PolarHBondContact OE2-NH2 3.33Å; E121-R163 VanDerWaalsContact OE2-NH2 3.13Å; T155-R163 HydrophobicContact CG2-CB 4.33Å; T155-R163 HydrophobicContact CG2-CG 3.9Å; S160-R163 PolarHBondContact O-N 3.46Å; S160-R163 PolarHBondContact OG-N 2.8Å; Q161-R163 VanDerWaalsContact C-N 3.32Å; Q161-R163 PolarHBondContact O-N 3.42Å; R163-E166 WeakPolarHBondContact CD-OE2 3.21Å; R163-E166 IonicContact CZ-OE2 2.8Å; R163-E166 IonicContact NH1-OE1 2.87Å; R163-E166 IonicContact NH1-OE2 3.13Å; R163-E166 PolarHBondContact NH1-OE2 3.07Å; R163-E166 PolarHBondContact O-N 2.96Å; R163-I167 HydrophobicContact CG-CD1 4Å; R163-I167 VanDerWaalsContact O-CG1 3.31Å; R163-I167 WeakPolarHBondContact O-CG1 3.27Å; R163-I167 PolarHBondContact O-N 2.95Å; R163-I167 VanDerWaalsContact O-N 3.08Å
164Y97.1Very high94.5Very high24 Ų2463.5 Ų63.59%0.09432%0.32CS..Hα-helixtrans-58.9-48.8174.4169.2-101.7000112.1V149 S160 Q161 E166 I167 V168 F187 P189 W207 F208V149-Y164 HydrophobicContact CB-CD2 4.06Å; V149-Y164 HydrophobicContact CB-CE2 4.24Å; V149-Y164 HydrophobicContact CG1-CD2 4.13Å; V149-Y164 HydrophobicContact CG2-CD2 4.04Å; V149-Y164 HydrophobicContact CG2-CE2 3.93Å; S160-Y164 PolarHBondContact O-N 2.78Å; S160-Y164 VanDerWaalsContact O-N 3.16Å; Q161-Y164 WeakPolarHBondContact O-CB 3.2Å; Q161-Y164 PolarHBondContact O-N 2.93Å; Y164-E166 VanDerWaalsContact C-N 3.34Å; Y164-E166 PolarHBondContact O-N 3.44Å; Y164-I167 PolarHBondContact O-N 3.4Å; Y164-V168 HydrophobicContact CD1-CG2 4.23Å; Y164-V168 HydrophobicContact CD2-CG2 4Å; Y164-V168 HydrophobicContact CE1-CG2 3.81Å; Y164-V168 HydrophobicContact CE2-CG2 3.55Å; Y164-V168 HydrophobicContact CG-CG2 4.33Å; Y164-V168 VanDerWaalsContact CZ-CG2 3.44Å; Y164-V168 VanDerWaalsContact O-CG2 3.28Å; Y164-V168 WeakPolarHBondContact O-CG2 3.47Å; Y164-V168 PolarHBondContact O-N 3.44Å; Y164-F187 WeakPolarHBondContact OH-CB 3.45Å; Y164-F187 PolarHBondContact OH-O 3.2Å; Y164-P189 HydrophobicContact CD2-CB 3.68Å; Y164-P189 HydrophobicContact CD2-CG 4.21Å; Y164-P189 HydrophobicContact CE2-CB 3.77Å; Y164-P189 HydrophobicContact CE2-CG 3.92Å; Y164-P189 HydrophobicContact CG-CB 4.4Å; Y164-W207 AromaticContact CD1-CH2 3.76Å; Y164-W207 HydrophobicContact CD1-CH2 3.76Å; Y164-W207 AromaticContact CD1-CZ3 3.54Å; Y164-W207 HydrophobicContact CD1-CZ3 3.54Å; Y164-W207 HydrophobicContact CD2-CH2 4.44Å; Y164-W207 HydrophobicContact CE1-CZ3 4.09Å; Y164-W207 AromaticContact CG-CH2 3.7Å; Y164-W207 HydrophobicContact CG-CH2 3.7Å; Y164-W207 HydrophobicContact CG-CZ3 4Å; Y164-F208 HydrophobicContact CE1-CD2 4.37Å; Y164-F208 HydrophobicContact CE1-CE2 4.38Å
165E96.4Very high94.4Very high103 Ų10360.6 Ų60.648%0.48130%0.3SS..Hα-helixtrans-63.2-38.2-179.6-71.9174.4179.800112.8Q161 K162 V168 K169Q161-E165 HydrophobicContact CG-CG 4.33Å; Q161-E165 WeakPolarHBondContact CG-OE1 3.47Å; Q161-E165 PolarHBondContact NE2-OE1 3.36Å; Q161-E165 WeakPolarHBondContact O-CG 3.45Å; Q161-E165 PolarHBondContact O-N 3.47Å; K162-E165 PolarHBondContact O-N 3.03Å; E165-V168 PolarHBondContact O-N 3.26Å; E165-K169 WeakPolarHBondContact O-CB 3.14Å; E165-K169 PolarHBondContact O-N 3.23Å
166E95.8Very high94.3Very high83 Ų8367.3 Ų67.339%0.38833%0.329SS..Hα-helixtrans-58-52.5172.4179.3-175.8-153.800111.2K162 R163 Y164 V168 K169 E170K162-E166 PolarHBondContact O-N 2.99Å; K162-E166 VanDerWaalsContact O-N 3.09Å; R163-E166 WeakPolarHBondContact CD-OE2 3.21Å; R163-E166 IonicContact CZ-OE2 2.8Å; R163-E166 IonicContact NH1-OE1 2.87Å; R163-E166 IonicContact NH1-OE2 3.13Å; R163-E166 PolarHBondContact NH1-OE2 3.07Å; R163-E166 PolarHBondContact O-N 2.96Å; Y164-E166 VanDerWaalsContact C-N 3.34Å; Y164-E166 PolarHBondContact O-N 3.44Å; E166-V168 PolarHBondContact O-N 2.85Å; E166-K169 PolarHBondContact O-N 3.37Å; E166-E170 PolarHBondContact O-N 2.92Å
167I95.6Very high93.9Very high0 Ų064.4 Ų64.40%031%0.314CS..Hα-helixtrans-60.5-46.6179.1-68.4166.4000110.6V113 A115 F120 V149 R163 Y164 K169 E170 V171V113-I167 HydrophobicContact CG1-CG2 3.99Å; A115-I167 HydrophobicContact CB-CD1 3.66Å; F120-I167 HydrophobicContact CD1-CG1 4.03Å; F120-I167 HydrophobicContact CD2-CD1 4.46Å; F120-I167 HydrophobicContact CD2-CG1 3.95Å; F120-I167 HydrophobicContact CD2-CG2 4.1Å; F120-I167 HydrophobicContact CE1-CG1 4.14Å; F120-I167 HydrophobicContact CE2-CB 4.28Å; F120-I167 HydrophobicContact CE2-CG1 4.07Å; F120-I167 HydrophobicContact CE2-CG2 3.75Å; F120-I167 HydrophobicContact CG-CD1 4.41Å; F120-I167 HydrophobicContact CG-CG1 3.94Å; F120-I167 HydrophobicContact CZ-CB 4.37Å; F120-I167 HydrophobicContact CZ-CG1 4.16Å; F120-I167 HydrophobicContact CZ-CG2 4.26Å; V149-I167 HydrophobicContact CG1-CD1 3.93Å; V149-I167 HydrophobicContact CG1-CG2 4.07Å; V149-I167 HydrophobicContact CG2-CG2 4.02Å; R163-I167 HydrophobicContact CG-CD1 4Å; R163-I167 VanDerWaalsContact O-CG1 3.31Å; R163-I167 WeakPolarHBondContact O-CG1 3.27Å; R163-I167 PolarHBondContact O-N 2.95Å; R163-I167 VanDerWaalsContact O-N 3.08Å; Y164-I167 PolarHBondContact O-N 3.4Å; I167-K169 VanDerWaalsContact C-N 3.31Å; I167-K169 PolarHBondContact O-N 2.95Å; I167-E170 PolarHBondContact O-N 3.38Å; I167-V171 HydrophobicContact CG2-CG2 3.98Å; I167-V171 VanDerWaalsContact O-CB 3.3Å; I167-V171 WeakPolarHBondContact O-CB 3.33Å; I167-V171 VanDerWaalsContact O-CG2 3.23Å; I167-V171 WeakPolarHBondContact O-CG2 3.44Å; I167-V171 PolarHBondContact O-N 2.94Å
168V95.8Very high93.4Very high30 Ų3061.2 Ų61.218%0.18229%0.292CS..Hα-helixtrans-58.2-45.2178.3170.90000110.5Y164 E165 E166 S172 F187Y164-V168 HydrophobicContact CD1-CG2 4.23Å; Y164-V168 HydrophobicContact CD2-CG2 4Å; Y164-V168 HydrophobicContact CE1-CG2 3.81Å; Y164-V168 HydrophobicContact CE2-CG2 3.55Å; Y164-V168 HydrophobicContact CG-CG2 4.33Å; Y164-V168 VanDerWaalsContact CZ-CG2 3.44Å; Y164-V168 VanDerWaalsContact O-CG2 3.28Å; Y164-V168 WeakPolarHBondContact O-CG2 3.47Å; Y164-V168 PolarHBondContact O-N 3.44Å; E165-V168 PolarHBondContact O-N 3.26Å; E166-V168 PolarHBondContact O-N 2.85Å; V168-S172 WeakPolarHBondContact O-CA 3.43Å; V168-S172 WeakPolarHBondContact O-CB 3.49Å; V168-S172 PolarHBondContact O-N 2.87Å; V168-S172 PolarHBondContact O-OG 3.5Å; V168-F187 HydrophobicContact CB-CD1 4.32Å; V168-F187 HydrophobicContact CG1-CD1 4.18Å; V168-F187 HydrophobicContact CG1-CD2 4.28Å; V168-F187 HydrophobicContact CG1-CE1 4.41Å; V168-F187 HydrophobicContact CG1-CG 4.1Å; V168-F187 HydrophobicContact CG2-CB 3.96Å; V168-F187 HydrophobicContact CG2-CD1 3.83Å; V168-F187 HydrophobicContact CG2-CG 4.02Å
169K95.7Very high93Very high155 Ų15558.9 Ų58.967%0.67428%0.283SS*.Hα-helixtrans-63.2-46.1179.9-177.3179.8178.8-178.50112E165 E166 I167 T173E165-K169 WeakPolarHBondContact O-CB 3.14Å; E165-K169 PolarHBondContact O-N 3.23Å; E166-K169 PolarHBondContact O-N 3.37Å; I167-K169 VanDerWaalsContact C-N 3.31Å; I167-K169 PolarHBondContact O-N 2.95Å; K169-T173 WeakPolarHBondContact O-CB 3.3Å; K169-T173 PolarHBondContact O-N 3.41Å; K169-T173 PolarHBondContact O-OG1 3.44Å
170E93.3Very high92.8Very high82 Ų8257.7 Ų57.738%0.38328%0.279SS..Hα-helixtrans-67.9-48.1-180-75.3-154.1-176.200112.4F120 I124 E166 I167 T173 Y174F120-E170 HydrophobicContact CE1-CB 4.25Å; F120-E170 HydrophobicContact CE1-CG 4.47Å; F120-E170 WeakPolarHBondContact CE1-OE2 3.32Å; F120-E170 HydrophobicContact CZ-CB 3.82Å; I124-E170 HydrophobicContact CD1-CB 4.4Å; E166-E170 PolarHBondContact O-N 2.92Å; I167-E170 PolarHBondContact O-N 3.38Å; E170-T173 WeakPolarHBondContact O-CB 3.36Å; E170-T173 PolarHBondContact O-N 2.83Å; E170-Y174 WeakPolarHBondContact O-CB 3.19Å; E170-Y174 PolarHBondContact O-N 3.41Å
171V93.8Very high92.6Very high3 Ų360.6 Ų60.62%0.01829%0.293CS..Hα-helixtrans-64.4-42.3178.6176.60000110.1V113 F120 I124 V147 I167 T173 Y174 I175 F187V113-V171 HydrophobicContact CG1-CG2 4.41Å; V113-V171 HydrophobicContact CG2-CG2 4.48Å; F120-V171 HydrophobicContact CE2-CG2 3.76Å; F120-V171 HydrophobicContact CZ-CG2 4.18Å; I124-V171 HydrophobicContact CD1-CG2 4.48Å; V147-V171 HydrophobicContact CG1-CG1 4.35Å; V147-V171 HydrophobicContact CG2-CG1 4.34Å; I167-V171 HydrophobicContact CG2-CG2 3.98Å; I167-V171 VanDerWaalsContact O-CB 3.3Å; I167-V171 WeakPolarHBondContact O-CB 3.33Å; I167-V171 VanDerWaalsContact O-CG2 3.23Å; I167-V171 WeakPolarHBondContact O-CG2 3.44Å; I167-V171 PolarHBondContact O-N 2.94Å; V171-T173 VanDerWaalsContact C-N 3.33Å; V171-T173 PolarHBondContact O-N 2.9Å; V171-Y174 CarbonylContact O-C 3.54Å; V171-Y174 WeakPolarHBondContact O-CA 3.32Å; V171-Y174 WeakPolarHBondContact O-CB 3.44Å; V171-Y174 PolarHBondContact O-N 3.16Å; V171-I175 HydrophobicContact CG1-CG2 4.04Å; V171-I175 WeakPolarHBondContact O-CG1 3.37Å; V171-I175 WeakPolarHBondContact O-CG2 3.42Å; V171-I175 PolarHBondContact O-N 3.04Å; V171-F187 HydrophobicContact CB-CE1 4.04Å; V171-F187 HydrophobicContact CG1-CE1 3.81Å; V171-F187 HydrophobicContact CG1-CZ 4.34Å
172S94.5Very high92.4Very high23 Ų2357.6 Ų57.616%0.16128%0.28CS..Hα-helixtrans-57.6-45.9174.6-68.10000111.8V168 Y174 I175 K176 P182 F187V168-S172 WeakPolarHBondContact O-CA 3.43Å; V168-S172 WeakPolarHBondContact O-CB 3.49Å; V168-S172 PolarHBondContact O-N 2.87Å; V168-S172 PolarHBondContact O-OG 3.5Å; S172-Y174 PolarHBondContact O-N 2.87Å; S172-I175 WeakPolarHBondContact O-CG1 3.43Å; S172-K176 WeakPolarHBondContact O-CB 3.32Å; S172-K176 PolarHBondContact O-N 3.32Å; S172-P182 WeakPolarHBondContact O-CG 3.27Å; S172-F187 VanDerWaalsContact OG-CZ 3.23Å; S172-F187 WeakPolarHBondContact OG-CZ 3.21Å
173T92.2Very high92.2Very high65 Ų6554.4 Ų54.440%0.39927%0.271SS..Hα-helixtrans-60.3-39.5175.5-600000110.7K169 E170 V171 K177K169-T173 WeakPolarHBondContact O-CB 3.3Å; K169-T173 PolarHBondContact O-N 3.41Å; K169-T173 PolarHBondContact O-OG1 3.44Å; E170-T173 WeakPolarHBondContact O-CB 3.36Å; E170-T173 PolarHBondContact O-N 2.83Å; V171-T173 VanDerWaalsContact C-N 3.33Å; V171-T173 PolarHBondContact O-N 2.9Å; T173-K177 HydrophobicContact CG2-CD 4.46Å; T173-K177 WeakPolarHBondContact O-CG 3.36Å; T173-K177 PolarHBondContact O-N 3.03Å
174Y87.2Confident92.1Very high44 Ų4454.8 Ų54.817%0.17328%0.276CS..Hα-helixtrans-72.2-49.2-178.2-172.3-96.9000113.2R131 E170 V171 S172 K176 K177 I178R131-Y174 VanDerWaalsContact CA-CE1 3.46Å; R131-Y174 WeakPolarHBondContact CA-OH 3.3Å; R131-Y174 HydrophobicContact CB-CE1 3.78Å; R131-Y174 HydrophobicContact CB-CE2 4.17Å; R131-Y174 VanDerWaalsContact CB-CZ 3.45Å; R131-Y174 WeakPolarHBondContact CB-OH 3.33Å; R131-Y174 HydrophobicContact CG-CD1 4.16Å; R131-Y174 HydrophobicContact CG-CD2 4.12Å; R131-Y174 HydrophobicContact CG-CE1 3.58Å; R131-Y174 HydrophobicContact CG-CE2 3.55Å; R131-Y174 HydrophobicContact CG-CG 4.42Å; R131-Y174 VanDerWaalsContact NE-CD2 3.33Å; R131-Y174 PolarHBondContact O-OH 3.42Å; E170-Y174 WeakPolarHBondContact O-CB 3.19Å; E170-Y174 PolarHBondContact O-N 3.41Å; V171-Y174 CarbonylContact O-C 3.54Å; V171-Y174 WeakPolarHBondContact O-CA 3.32Å; V171-Y174 WeakPolarHBondContact O-CB 3.44Å; V171-Y174 PolarHBondContact O-N 3.16Å; S172-Y174 PolarHBondContact O-N 2.87Å; Y174-K176 VanDerWaalsContact C-N 3.27Å; Y174-K176 PolarHBondContact O-N 3.04Å; Y174-K177 WeakPolarHBondContact O-CA 3.15Å; Y174-K177 VanDerWaalsContact O-CB 3.31Å; Y174-K177 WeakPolarHBondContact O-CB 2.94Å; Y174-K177 PolarHBondContact O-N 3.4Å; Y174-I178 HydrophobicContact CD1-CD1 3.72Å; Y174-I178 HydrophobicContact CD1-CG1 4.4Å; Y174-I178 HydrophobicContact CE1-CD1 3.21Å; Y174-I178 HydrophobicContact CE1-CG1 3.87Å; Y174-I178 PolarHBondContact O-N 3.03Å; Y174-I178 VanDerWaalsContact O-N 3.16Å
175I91.5Very high92Very high0 Ų053.8 Ų53.80%027%0.273CS..Hα-helixtrans-65.6-32.3179.468.3-176.4000111.5L145 V171 S172 K177 I178 G179 Y180 P182 V185 F187L145-I175 HydrophobicContact CD2-CB 4.45Å; L145-I175 HydrophobicContact CD2-CD1 4.37Å; L145-I175 HydrophobicContact CD2-CG2 3.99Å; V171-I175 HydrophobicContact CG1-CG2 4.04Å; V171-I175 WeakPolarHBondContact O-CG1 3.37Å; V171-I175 WeakPolarHBondContact O-CG2 3.42Å; V171-I175 PolarHBondContact O-N 3.04Å; S172-I175 WeakPolarHBondContact O-CG1 3.43Å; I175-K177 VanDerWaalsContact C-N 3.29Å; I175-K177 PolarHBondContact O-N 3.27Å; I175-I178 WeakPolarHBondContact O-CB 3.4Å; I175-I178 PolarHBondContact O-N 3.31Å; I175-I178 VanDerWaalsContact O-N 3.14Å; I175-G179 PolarHBondContact O-N 3.18Å; I175-Y180 HydrophobicContact CB-CD2 4.07Å; I175-Y180 HydrophobicContact CB-CG 4.49Å; I175-Y180 PolarHBondContact O-N 2.81Å; I175-Y180 VanDerWaalsContact O-N 3.08Å; I175-P182 HydrophobicContact CD1-CB 4.37Å; I175-P182 HydrophobicContact CD1-CG 4.47Å; I175-P182 HydrophobicContact CG1-CG 4.16Å; I175-V185 HydrophobicContact CD1-CB 4.25Å; I175-V185 HydrophobicContact CD1-CG1 4.17Å; I175-V185 HydrophobicContact CD1-CG2 4.07Å; I175-F187 HydrophobicContact CD1-CE2 4.41Å; I175-F187 HydrophobicContact CD1-CZ 3.82Å
176K91.3Very high92Very high144 Ų14449 Ų4963%0.62625%0.251SS*.Hα-helixtrans-61.6-37.2170.3-169.5171-176.2170.40112.3S172 Y174 I178 G179 Y180 P182S172-K176 WeakPolarHBondContact O-CB 3.32Å; S172-K176 PolarHBondContact O-N 3.32Å; Y174-K176 VanDerWaalsContact C-N 3.27Å; Y174-K176 PolarHBondContact O-N 3.04Å; K176-I178 VanDerWaalsContact C-N 3.29Å; K176-I178 PolarHBondContact O-N 3.31Å; K176-G179 PolarHBondContact O-N 2.69Å; K176-Y180 WeakPolarHBondContact CA-O 3.5Å; K176-P182 HydrophobicContact CB-CG 3.76Å; K176-P182 HydrophobicContact CD-CG 4.32Å; K176-P182 HydrophobicContact CG-CG 4.32Å
177K83.6Confident92Very high97 Ų9745.8 Ų45.842%0.42224%0.235SC..Hα-helixtrans-71.1-24176.2-71.9175.1177.7173.20113T173 Y174 I175 R379T173-K177 HydrophobicContact CG2-CD 4.46Å; T173-K177 WeakPolarHBondContact O-CG 3.36Å; T173-K177 PolarHBondContact O-N 3.03Å; Y174-K177 WeakPolarHBondContact O-CA 3.15Å; Y174-K177 VanDerWaalsContact O-CB 3.31Å; Y174-K177 WeakPolarHBondContact O-CB 2.94Å; Y174-K177 PolarHBondContact O-N 3.4Å; I175-K177 VanDerWaalsContact C-N 3.29Å; I175-K177 PolarHBondContact O-N 3.27Å; K177-R379 VanDerWaalsContact CB-NH2 3.31Å; K177-R379 VanDerWaalsContact CG-CZ 3.46Å; K177-R379 PolarHBondContact O-NE 2.97Å
178I84Confident92.1Very high22 Ų2245.8 Ų45.811%0.11324%0.235CC..Hα-helixtrans-77.9-42.8174-66.4166.1000110.6A134 L135 Y138 Y174 I175 K176 Y180A134-I178 HydrophobicContact CB-CD1 3.53Å; L135-I178 HydrophobicContact CB-CD1 4.44Å; L135-I178 HydrophobicContact CD1-CG2 4.04Å; Y138-I178 HydrophobicContact CD1-CG2 3.91Å; Y138-I178 HydrophobicContact CD2-CG2 4.45Å; Y138-I178 HydrophobicContact CG-CG2 3.71Å; Y174-I178 HydrophobicContact CD1-CD1 3.72Å; Y174-I178 HydrophobicContact CD1-CG1 4.4Å; Y174-I178 HydrophobicContact CE1-CD1 3.21Å; Y174-I178 HydrophobicContact CE1-CG1 3.87Å; Y174-I178 PolarHBondContact O-N 3.03Å; Y174-I178 VanDerWaalsContact O-N 3.16Å; I175-I178 WeakPolarHBondContact O-CB 3.4Å; I175-I178 PolarHBondContact O-N 3.31Å; I175-I178 VanDerWaalsContact O-N 3.14Å; K176-I178 VanDerWaalsContact C-N 3.29Å; K176-I178 PolarHBondContact O-N 3.31Å; I178-Y180 HydrophobicContact CB-CD2 4.42Å; I178-Y180 HydrophobicContact CG2-CD2 4.22Å; I178-Y180 HydrophobicContact CG2-CE2 4.18Å
179G84.6Confident92.2Very high36 Ų3644.4 Ų44.437%0.37123%0.227SC..THydrogen-bonded Turntrans139.5-6.9-18000000114.7Y138 I175 K176Y138-G179 PolarHBondContact OH-O 3.02Å; I175-G179 PolarHBondContact O-N 3.18Å; K176-G179 PolarHBondContact O-N 2.69Å
180Y91.3Very high92.3Very high9 Ų937 Ų374%0.03520%0.195CC..  trans-67.6148171.1-65.5-79.8000110.8Y138 V142 L145 I175 K176 I178 P182Y138-Y180 WeakPolarHBondContact CA-OH 3.47Å; Y138-Y180 AromaticContact CD2-CD1 4Å; Y138-Y180 HydrophobicContact CD2-CD1 4Å; Y138-Y180 AromaticContact CD2-CD2 3.99Å; Y138-Y180 HydrophobicContact CD2-CD2 3.99Å; Y138-Y180 AromaticContact CD2-CE1 3.81Å; Y138-Y180 HydrophobicContact CD2-CE1 3.81Å; Y138-Y180 AromaticContact CD2-CE2 3.82Å; Y138-Y180 HydrophobicContact CD2-CE2 3.82Å; Y138-Y180 HydrophobicContact CD2-CG 4.08Å; Y138-Y180 AromaticContact CD2-CZ 3.72Å; Y138-Y180 HydrophobicContact CE2-CD1 4.48Å; Y138-Y180 HydrophobicContact CG-CE2 4.12Å; Y138-Y180 PolarHBondContact N-OH 2.92Å; Y138-Y180 VanDerWaalsContact N-OH 3.12Å; V142-Y180 WeakPolarHBondContact O-CE1 3.28Å; V142-Y180 PolarHBondContact O-OH 3.32Å; L145-Y180 HydrophobicContact CB-CD1 4Å; L145-Y180 HydrophobicContact CB-CE1 3.82Å; L145-Y180 HydrophobicContact CD2-CD1 4.36Å; L145-Y180 HydrophobicContact CD2-CD2 4.06Å; L145-Y180 HydrophobicContact CD2-CE1 4.38Å; L145-Y180 HydrophobicContact CD2-CE2 4.06Å; L145-Y180 HydrophobicContact CD2-CG 4.19Å; I175-Y180 HydrophobicContact CB-CD2 4.07Å; I175-Y180 HydrophobicContact CB-CG 4.49Å; I175-Y180 PolarHBondContact O-N 2.81Å; I175-Y180 VanDerWaalsContact O-N 3.08Å; K176-Y180 WeakPolarHBondContact CA-O 3.5Å; I178-Y180 HydrophobicContact CB-CD2 4.42Å; I178-Y180 HydrophobicContact CG2-CD2 4.22Å; I178-Y180 HydrophobicContact CG2-CE2 4.18Å; Y180-P182 WeakPolarHBondContact O-CD 3.47Å
181N91.4Very high92.4Very high78 Ų7833.1 Ų33.142%0.41718%0.176SC..  trans-88.3112.7166.7-1784.4000109.3D183 T184N181-D183 PolarHBondContact O-N 2.97Å; N181-D183 VanDerWaalsContact O-N 3.16Å; N181-D183 PolarHBondContact OD1-N 3.04Å; N181-T184 HydrophobicContact CB-CG2 3.77Å; N181-T184 WeakPolarHBondContact O-CB 3.47Å; N181-T184 PolarHBondContact O-N 3.44Å; N181-T184 PolarHBondContact O-OG1 3.06Å
182P93.5Very high92.2Very high19 Ų1933 Ų3312%0.12318%0.176CC..G310 helixtrans-56.7-31.1-179.2-24.334.8000113.9S172 I175 K176 Y180 T184 V185S172-P182 WeakPolarHBondContact O-CG 3.27Å; I175-P182 HydrophobicContact CD1-CB 4.37Å; I175-P182 HydrophobicContact CD1-CG 4.47Å; I175-P182 HydrophobicContact CG1-CG 4.16Å; K176-P182 HydrophobicContact CB-CG 3.76Å; K176-P182 HydrophobicContact CD-CG 4.32Å; K176-P182 HydrophobicContact CG-CG 4.32Å; Y180-P182 WeakPolarHBondContact O-CD 3.47Å; P182-T184 PolarHBondContact O-N 3.48Å; P182-T184 VanDerWaalsContact O-N 3.16Å; P182-V185 PolarHBondContact O-N 2.81Å
183D92.4Very high92Very high105 Ų10538.1 Ų38.156%0.56119%0.192SC*.G310 helixtrans-66-19.5179.3-57.5-28.7000112.4N181 V213 T214N181-D183 PolarHBondContact O-N 2.97Å; N181-D183 VanDerWaalsContact O-N 3.16Å; N181-D183 PolarHBondContact OD1-N 3.04Å; D183-V213 CarbonylContact O-C 3.52Å; D183-V213 WeakPolarHBondContact O-CA 3.38Å; D183-T214 PolarHBondContact O-N 3.07Å
184T92.6Very high91.8Very high29 Ų2939.3 Ų39.318%0.17820%0.196CC..G310 helixtrans-91.2-4.7177.671.10000112.4N181 P182 V213 T214 R215N181-T184 HydrophobicContact CB-CG2 3.77Å; N181-T184 WeakPolarHBondContact O-CB 3.47Å; N181-T184 PolarHBondContact O-N 3.44Å; N181-T184 PolarHBondContact O-OG1 3.06Å; P182-T184 PolarHBondContact O-N 3.48Å; P182-T184 VanDerWaalsContact O-N 3.16Å; T184-V213 WeakPolarHBondContact O-CG1 3.02Å; T184-T214 WeakPolarHBondContact CG2-O 3.41Å; T184-R215 HydrophobicContact CG2-CG 3.87Å; T184-R215 VanDerWaalsContact O-CZ 3.23Å; T184-R215 PolarHBondContact O-NE 3.39Å; T184-R215 PolarHBondContact O-NH2 3.42Å
185V95Very high92Very high3 Ų338.1 Ų38.12%0.01820%0.197CC..SBendtrans-106.3126.2-171175.10000110.1L145 V147 I175 P182 F187L145-V185 HydrophobicContact CB-CG1 4.48Å; L145-V185 HydrophobicContact CB-CG2 4.06Å; L145-V185 HydrophobicContact CD2-CG1 4.44Å; L145-V185 HydrophobicContact CD2-CG2 4.46Å; L145-V185 HydrophobicContact CG-CG1 4.38Å; L145-V185 WeakPolarHBondContact O-CG1 3.49Å; V147-V185 HydrophobicContact CB-CG1 4.43Å; V147-V185 HydrophobicContact CG2-CG1 3.68Å; I175-V185 HydrophobicContact CD1-CB 4.25Å; I175-V185 HydrophobicContact CD1-CG1 4.17Å; I175-V185 HydrophobicContact CD1-CG2 4.07Å; P182-V185 PolarHBondContact O-N 2.81Å; V185-F187 HydrophobicContact CB-CE2 4.12Å; V185-F187 HydrophobicContact CG1-CD2 4.28Å; V185-F187 HydrophobicContact CG1-CE2 3.87Å; V185-F187 HydrophobicContact CG1-CZ 4.2Å; V185-F187 WeakPolarHBondContact O-CD2 3.36Å
186A96.3Very high92.1Very high3 Ų338.9 Ų38.93%0.02520%0.201CC..EExtended strand (participates in β ladder)trans-79.8124.4174.400000109.7V147 V188 W211 V213 A228V147-A186 PolarHBondContact N-O 3.21Å; A186-V188 HydrophobicContact CB-CG2 4.48Å; A186-W211 HydrophobicContact CB-CB 4.32Å; A186-W211 HydrophobicContact CB-CD2 3.74Å; A186-W211 HydrophobicContact CB-CE3 3.66Å; A186-W211 HydrophobicContact CB-CG 4.03Å; A186-W211 HydrophobicContact CB-CZ3 4.3Å; A186-V213 HydrophobicContact CB-CG1 3.9Å; A186-A228 HydrophobicContact CB-CB 4.1Å
187F97.3Very high92.3Very high15 Ų1532.1 Ų32.17%0.06617%0.172CC..EExtended strand (participates in β ladder)trans-102.1116170.8-70.5-96.1000108.8V147 Y164 V168 V171 S172 I175 V185 W211V147-F187 HydrophobicContact CB-CD1 3.62Å; V147-F187 HydrophobicContact CB-CE1 3.81Å; V147-F187 HydrophobicContact CB-CG 4.26Å; V147-F187 HydrophobicContact CG1-CD1 3.66Å; V147-F187 HydrophobicContact CG1-CE1 3.82Å; V147-F187 HydrophobicContact CG2-CD1 4.16Å; V147-F187 HydrophobicContact CG2-CE1 3.83Å; V147-F187 HydrophobicContact CG2-CZ 4.23Å; V147-F187 WeakPolarHBondContact O-CA 3.36Å; Y164-F187 WeakPolarHBondContact OH-CB 3.45Å; Y164-F187 PolarHBondContact OH-O 3.2Å; V168-F187 HydrophobicContact CB-CD1 4.32Å; V168-F187 HydrophobicContact CG1-CD1 4.18Å; V168-F187 HydrophobicContact CG1-CD2 4.28Å; V168-F187 HydrophobicContact CG1-CE1 4.41Å; V168-F187 HydrophobicContact CG1-CG 4.1Å; V168-F187 HydrophobicContact CG2-CB 3.96Å; V168-F187 HydrophobicContact CG2-CD1 3.83Å; V168-F187 HydrophobicContact CG2-CG 4.02Å; V171-F187 HydrophobicContact CB-CE1 4.04Å; V171-F187 HydrophobicContact CG1-CE1 3.81Å; V171-F187 HydrophobicContact CG1-CZ 4.34Å; S172-F187 VanDerWaalsContact OG-CZ 3.23Å; S172-F187 WeakPolarHBondContact OG-CZ 3.21Å; I175-F187 HydrophobicContact CD1-CE2 4.41Å; I175-F187 HydrophobicContact CD1-CZ 3.82Å; V185-F187 HydrophobicContact CB-CE2 4.12Å; V185-F187 HydrophobicContact CG1-CD2 4.28Å; V185-F187 HydrophobicContact CG1-CE2 3.87Å; V185-F187 HydrophobicContact CG1-CZ 4.2Å; V185-F187 WeakPolarHBondContact O-CD2 3.36Å; F187-W211 WeakPolarHBondContact O-CB 3.47Å
188V97.6Very high92.7Very high0 Ų027.5 Ų27.50%015%0.151CC..EExtended strand (participates in β ladder)trans-118.1115-175.5-164.10000108.9I146 V147 G148 V149 A186 I190 N197 W211 L225 A228I146-V188 HydrophobicContact CG2-CG2 4.5Å; V147-V188 PolarHBondContact O-N 2.8Å; G148-V188 CarbonylContact C-O 3.53Å; G148-V188 WeakPolarHBondContact CA-O 3.31Å; V149-V188 PolarHBondContact N-O 2.91Å; A186-V188 HydrophobicContact CB-CG2 4.48Å; V188-I190 HydrophobicContact CB-CG2 4.16Å; V188-I190 HydrophobicContact CG1-CG2 3.67Å; V188-I190 PolarHBondContact O-N 3.11Å; V188-N197 HydrophobicContact CG1-CB 4.46Å; V188-W211 HydrophobicContact CG2-CG 4.23Å; V188-L225 HydrophobicContact CG1-CB 4.41Å; V188-L225 HydrophobicContact CG2-CD1 4.41Å; V188-A228 HydrophobicContact CG2-CB 4.02Å
189P97.5Very high93Very high0 Ų028.8 Ų28.80%016%0.158CC..EExtended strand (participates in β ladder)trans-74.6121.4171.128.9-28.2000109.1V149 M152 Y164 N197 M205 W207 F208V149-P189 WeakPolarHBondContact O-CA 3.32Å; M152-P189 HydrophobicContact CE-CB 4.43Å; M152-P189 HydrophobicContact CG-CB 3.88Å; M152-P189 HydrophobicContact SD-CB 4.21Å; Y164-P189 HydrophobicContact CD2-CB 3.68Å; Y164-P189 HydrophobicContact CD2-CG 4.21Å; Y164-P189 HydrophobicContact CE2-CB 3.77Å; Y164-P189 HydrophobicContact CE2-CG 3.92Å; Y164-P189 HydrophobicContact CG-CB 4.4Å; P189-N197 WeakPolarHBondContact O-CB 3.31Å; P189-N197 PolarHBondContact O-ND2 3.14Å; P189-M205 HydrophobicContact CB-SD 3.77Å; P189-M205 HydrophobicContact CG-SD 4.09Å; P189-W207 HydrophobicContact CB-CH2 4.24Å; P189-W207 HydrophobicContact CG-CH2 4.18Å; P189-F208 VanDerWaalsContact CD-CE2 3.44Å; P189-F208 HydrophobicContact CG-CB 4.23Å; P189-F208 HydrophobicContact CG-CD1 3.81Å; P189-F208 HydrophobicContact CG-CD2 3.59Å; P189-F208 HydrophobicContact CG-CE1 3.99Å; P189-F208 HydrophobicContact CG-CE2 3.81Å; P189-F208 HydrophobicContact CG-CG 3.6Å; P189-F208 HydrophobicContact CG-CZ 4Å
190I97.3Very high93.4Very high0 Ų034.4 Ų34.40%018%0.175CC..  trans-134.4161-173.864.4178.3000111.8T23 I112 V149 N150 K151 M152 V188 D196 N197 M198 L225T23-I190 HydrophobicContact CG2-CD1 3.79Å; I112-I190 HydrophobicContact CD1-CD1 4.34Å; V149-I190 PolarHBondContact O-N 2.84Å; N150-I190 CarbonylContact C-O 3.57Å; N150-I190 WeakPolarHBondContact CA-O 3.35Å; N150-I190 HydrophobicContact CB-CD1 4.31Å; N150-I190 HydrophobicContact CB-CG1 4.03Å; K151-I190 PolarHBondContact N-O 3.17Å; M152-I190 PolarHBondContact N-O 3.02Å; V188-I190 HydrophobicContact CB-CG2 4.16Å; V188-I190 HydrophobicContact CG1-CG2 3.67Å; V188-I190 PolarHBondContact O-N 3.11Å; I190-D196 WeakPolarHBondContact CA-O 3.31Å; I190-N197 HydrophobicContact CG2-CB 4.19Å; I190-M198 HydrophobicContact CB-SD 4.02Å; I190-M198 HydrophobicContact CD1-SD 3.92Å; I190-M198 HydrophobicContact CG1-SD 4.46Å; I190-M198 HydrophobicContact CG2-SD 4.19Å; I190-L225 HydrophobicContact CD1-CD2 4.04Å; I190-L225 HydrophobicContact CG2-CB 4.25Å
191S95.4Very high93.5Very high0 Ų038.2 Ų38.20%020%0.201CC..  trans-123.7106.2157.7-179.80000108.6D153 W193 N194 G195 D196D153-S191 WeakPolarHBondContact OD1-CB 3.39Å; D153-S191 PolarHBondContact OD1-OG 3.04Å; S191-W193 PolarHBondContact O-N 3.19Å; S191-N194 PolarHBondContact OG-N 2.84Å; S191-G195 VanDerWaalsContact O-CA 3.31Å; S191-G195 WeakPolarHBondContact O-CA 3.39Å; S191-G195 PolarHBondContact O-N 2.97Å; S191-D196 WeakPolarHBondContact CB-OD2 3.21Å; S191-D196 PolarHBondContact N-O 2.92Å; S191-D196 VanDerWaalsContact N-O 3.17Å; S191-D196 PolarHBondContact O-N 3.34Å
192G90.7Very high93.5Very high0 Ų035.1 Ų35.10%019%0.185CC..THydrogen-bonded Turntrans-63-23.4176.500000112.9H26 N150H26-G192 PolarHBondContact ND1-O 3.18Å; N150-G192 PolarHBondContact OD1-N 3.28Å
193W88.4Confident93.5Very high132 Ų13238.7 Ų38.750%0.522%0.216SC..THydrogen-bonded Turntrans-79.3-53.6177.7-172.8-100.2000111.9T22 K52 S191T22-W193 HydrophobicContact CG2-CE3 3.93Å; K52-W193 HydrophobicContact CG-CH2 4.11Å; K52-W193 HydrophobicContact CG-CZ3 4.33Å; S191-W193 PolarHBondContact O-N 3.19Å
194N89.8Confident93.5Very high90 Ų9037.7 Ų37.748%0.48121%0.211SC..THydrogen-bonded Turntrans-82.3-18.5-176.7-66.8-25.2000113.3D153 Y159 S191 D196D153-N194 WeakPolarHBondContact CB-ND2 3.39Å; Y159-N194 PolarHBondContact OH-ND2 2.87Å; S191-N194 PolarHBondContact OG-N 2.84Å; N194-D196 WeakPolarHBondContact CB-OD2 3.31Å
195G90.4Very high93.6Very high19 Ų1936.5 Ų36.520%0.19620%0.203CC..  trans88.55.5-177.100000114.7H26 S191 N197 M198H26-G195 WeakPolarHBondContact CE1-CA 3.35Å; S191-G195 VanDerWaalsContact O-CA 3.31Å; S191-G195 WeakPolarHBondContact O-CA 3.39Å; S191-G195 PolarHBondContact O-N 2.97Å; G195-N197 PolarHBondContact O-N 3.08Å; G195-M198 WeakPolarHBondContact O-CB 3.42Å; G195-M198 PolarHBondContact O-N 3.48Å
196D94Very high93.5Very high16 Ų1640.6 Ų40.69%0.08623%0.23CC..THydrogen-bonded Turntrans-58128.1-179.2-66.6-77.6000111.9Y159 I190 S191 N194 M198 S202 N204 M205Y159-D196 HydrophobicContact CE1-CB 4.26Å; Y159-D196 WeakPolarHBondContact CE1-OD2 3.37Å; Y159-D196 PolarHBondContact OH-OD2 3.22Å; I190-D196 WeakPolarHBondContact CA-O 3.31Å; S191-D196 WeakPolarHBondContact CB-OD2 3.21Å; S191-D196 PolarHBondContact N-O 2.92Å; S191-D196 VanDerWaalsContact N-O 3.17Å; S191-D196 PolarHBondContact O-N 3.34Å; N194-D196 WeakPolarHBondContact CB-OD2 3.31Å; D196-M198 PolarHBondContact O-N 3.32Å; D196-S202 WeakPolarHBondContact OD1-CB 3.4Å; D196-S202 PolarHBondContact OD1-OG 3.28Å; D196-N204 PolarHBondContact OD1-ND2 2.69Å; D196-M205 HydrophobicContact CB-CE 3.71Å
197N94.3Very high93.5Very high2 Ų243 Ų431%0.01124%0.239CC..THydrogen-bonded Turntrans55.317.7-179.1-69.9-21.1000114.6V188 P189 I190 G195 E200 P201 S202 M205 T224 L225V188-N197 HydrophobicContact CG1-CB 4.46Å; P189-N197 WeakPolarHBondContact O-CB 3.31Å; P189-N197 PolarHBondContact O-ND2 3.14Å; I190-N197 HydrophobicContact CG2-CB 4.19Å; G195-N197 PolarHBondContact O-N 3.08Å; N197-E200 VanDerWaalsContact CA-O 3.25Å; N197-E200 WeakPolarHBondContact CA-O 3.43Å; N197-E200 PolarHBondContact N-O 3.06Å; N197-P201 WeakPolarHBondContact OD1-CA 3.43Å; N197-S202 WeakPolarHBondContact OD1-CB 3.19Å; N197-S202 PolarHBondContact OD1-N 2.83Å; N197-M205 HydrophobicContact CB-CE 4.4Å; N197-M205 WeakPolarHBondContact ND2-CE 3.32Å; N197-T224 CarbonylContact O-C 3.52Å; N197-T224 VanDerWaalsContact O-CA 3.24Å; N197-T224 WeakPolarHBondContact O-CA 3.27Å; N197-T224 WeakPolarHBondContact O-CB 3.32Å; N197-L225 PolarHBondContact O-N 3.03Å
198M92.5Very high93.4Very high0 Ų043.3 Ų43.30%024%0.24CC..THydrogen-bonded Turntrans-76.8-59.1178.4-69.8-66.6-72.800111.1T23 H26 L27 I190 G195 D196 L225 L226T23-M198 HydrophobicContact CG2-CE 3.47Å; T23-M198 VanDerWaalsContact CG2-CE 3.47Å; T23-M198 HydrophobicContact CG2-SD 3.92Å; T23-M198 VanDerWaalsContact O-CE 3.31Å; T23-M198 WeakPolarHBondContact O-CE 3.47Å; H26-M198 HydrophobicContact CB-CE 4.27Å; L27-M198 HydrophobicContact CD1-CE 4.23Å; L27-M198 HydrophobicContact CD2-CE 3.83Å; L27-M198 HydrophobicContact CG-CE 3.55Å; I190-M198 HydrophobicContact CB-SD 4.02Å; I190-M198 HydrophobicContact CD1-SD 3.92Å; I190-M198 HydrophobicContact CG1-SD 4.46Å; I190-M198 HydrophobicContact CG2-SD 4.19Å; G195-M198 WeakPolarHBondContact O-CB 3.42Å; G195-M198 PolarHBondContact O-N 3.48Å; D196-M198 PolarHBondContact O-N 3.32Å; M198-L225 HydrophobicContact CE-CD2 4.01Å; M198-L225 PolarHBondContact O-N 2.98Å; M198-L225 HydrophobicContact SD-CD2 3.78Å; M198-L226 PolarHBondContact O-N 3.43Å
199L91.1Very high93.1Very high49 Ų4951.9 Ų51.926%0.25728%0.277SS..SBendtrans-115.5-31.4177.2-75.980.7000112.3L27 K30 T224 L226L27-L199 HydrophobicContact CD2-CD1 4.15Å; K30-L199 HydrophobicContact CB-CD1 3.65Å; K30-L199 HydrophobicContact CB-CD2 3.59Å; K30-L199 HydrophobicContact CB-CG 4.29Å; K30-L199 HydrophobicContact CG-CD1 4.11Å; L199-T224 WeakPolarHBondContact O-CG2 3.48Å; L199-L226 HydrophobicContact CD2-CD2 4.36Å; L199-L226 HydrophobicContact CG-CD2 4.1Å
200E92.4Very high92.9Very high153 Ų15352.9 Ų52.972%0.71529%0.287SS*.SBendtrans-127.1149.7-177.3-66.4176.2-173.600110N197 S202 T224N197-E200 VanDerWaalsContact CA-O 3.25Å; N197-E200 WeakPolarHBondContact CA-O 3.43Å; N197-E200 PolarHBondContact N-O 3.06Å; E200-S202 PolarHBondContact O-N 3.19Å; E200-T224 VanDerWaalsContact C-CG2 3.46Å
201P93.1Very high92.7Very high89 Ų8953.3 Ų53.358%0.57829%0.289SS*.  trans-58.1135.6174.8-24.434.7000112.1N197 T223 T224N197-P201 WeakPolarHBondContact OD1-CA 3.43Å; P201-T223 HydrophobicContact CB-CG2 4.02Å; P201-T223 HydrophobicContact CG-CG2 4.21Å; P201-T224 HydrophobicContact CG-CG2 4.33Å
202S93Very high92.7Very high14 Ų1461.2 Ų61.210%0.09832%0.323CS..  trans-81.6132.6178.2173.80000112.1D196 N197 E200 N204 M205D196-S202 WeakPolarHBondContact OD1-CB 3.4Å; D196-S202 PolarHBondContact OD1-OG 3.28Å; N197-S202 WeakPolarHBondContact OD1-CB 3.19Å; N197-S202 PolarHBondContact OD1-N 2.83Å; E200-S202 PolarHBondContact O-N 3.19Å; S202-N204 PolarHBondContact O-N 2.91Å; S202-N204 WeakPolarHBondContact OG-CB 3.26Å; S202-N204 PolarHBondContact OG-N 3.02Å; S202-M205 PolarHBondContact O-N 2.96Å
203A92.9Very high92.7Very high93 Ų9361.3 Ų61.377%0.76932%0.324SS*.THydrogen-bonded Turntrans-68.3-20.2169.500000113.1M205A203-M205 VanDerWaalsContact C-N 3.29Å; A203-M205 PolarHBondContact O-N 2.92Å
204N92.9Very high92.8Very high84 Ų8458.8 Ų58.845%0.44932%0.323SS..THydrogen-bonded Turntrans-78-13.9-179.1-60.9-47.4000113.1Y159 D196 S202 P206Y159-N204 HydrophobicContact CD1-CB 3.86Å; Y159-N204 HydrophobicContact CD2-CB 3.76Å; Y159-N204 HydrophobicContact CE1-CB 3.8Å; Y159-N204 HydrophobicContact CE2-CB 3.72Å; Y159-N204 HydrophobicContact CG-CB 3.81Å; Y159-N204 PolarHBondContact OH-ND2 2.92Å; D196-N204 PolarHBondContact OD1-ND2 2.69Å; S202-N204 PolarHBondContact O-N 2.91Å; S202-N204 WeakPolarHBondContact OG-CB 3.26Å; S202-N204 PolarHBondContact OG-N 3.02Å; N204-P206 WeakPolarHBondContact O-CD 3.27Å
205M93.6Very high92.6Very high4 Ų456.2 Ų56.22%0.0231%0.307CS..  trans-124.758.7-178.6-68.3178.3-80.600112.2M152 Y159 P189 D196 N197 S202 A203 W207 F208M152-M205 HydrophobicContact CB-SD 4.15Å; M152-M205 HydrophobicContact CE-SD 4.41Å; M152-M205 HydrophobicContact CG-SD 4.23Å; Y159-M205 HydrophobicContact CD1-CE 3.97Å; Y159-M205 HydrophobicContact CD1-CG 3.64Å; Y159-M205 HydrophobicContact CD1-SD 3.87Å; Y159-M205 HydrophobicContact CE1-CE 4.17Å; Y159-M205 HydrophobicContact CG-CG 4.15Å; P189-M205 HydrophobicContact CB-SD 3.77Å; P189-M205 HydrophobicContact CG-SD 4.09Å; D196-M205 HydrophobicContact CB-CE 3.71Å; N197-M205 HydrophobicContact CB-CE 4.4Å; N197-M205 WeakPolarHBondContact ND2-CE 3.32Å; S202-M205 PolarHBondContact O-N 2.96Å; A203-M205 VanDerWaalsContact C-N 3.29Å; A203-M205 PolarHBondContact O-N 2.92Å; M205-W207 HydrophobicContact CB-CZ2 4.22Å; M205-W207 HydrophobicContact CG-CZ2 3.85Å; M205-W207 PolarHBondContact O-N 3.16Å; M205-W207 VanDerWaalsContact O-N 3.12Å; M205-W207 HydrophobicContact SD-CH2 4.49Å; M205-W207 HydrophobicContact SD-CZ2 4.04Å; M205-F208 HydrophobicContact CB-CB 4.26Å; M205-F208 PolarHBondContact O-N 3.13Å
206P93.4Very high92.1Very high90 Ų9065.5 Ų65.558%0.58434%0.342SS*.THydrogen-bonded Turntrans-65.8-18.5-178.229.5-36.4000113.2N204 F208 K209N204-P206 WeakPolarHBondContact O-CD 3.27Å; P206-F208 VanDerWaalsContact C-N 3.32Å; P206-K209 PolarHBondContact O-NZ 2.92Å
207W95.1Very high91.3Very high54 Ų5471 Ų7121%0.20537%0.371CS..THydrogen-bonded Turntrans-71.4-25.7174.355.1-101.6000112.7M152 Y159 Q161 Y164 P189 M205 K209M152-W207 HydrophobicContact CE-CH2 4.12Å; M152-W207 HydrophobicContact CE-CZ2 3.88Å; Y159-W207 PolarHBondContact O-NE1 3.45Å; Q161-W207 HydrophobicContact CB-CD2 3.56Å; Q161-W207 HydrophobicContact CB-CE3 3.78Å; Q161-W207 HydrophobicContact CB-CG 3.91Å; Q161-W207 HydrophobicContact CB-CH2 4.46Å; Q161-W207 HydrophobicContact CB-CZ2 4.25Å; Q161-W207 HydrophobicContact CB-CZ3 4.23Å; Q161-W207 HydrophobicContact CG-CD2 3.85Å; Q161-W207 HydrophobicContact CG-CE3 3.56Å; Q161-W207 HydrophobicContact CG-CG 4.31Å; Q161-W207 HydrophobicContact CG-CZ3 4.03Å; Y164-W207 AromaticContact CD1-CH2 3.76Å; Y164-W207 HydrophobicContact CD1-CH2 3.76Å; Y164-W207 AromaticContact CD1-CZ3 3.54Å; Y164-W207 HydrophobicContact CD1-CZ3 3.54Å; Y164-W207 HydrophobicContact CD2-CH2 4.44Å; Y164-W207 HydrophobicContact CE1-CZ3 4.09Å; Y164-W207 AromaticContact CG-CH2 3.7Å; Y164-W207 HydrophobicContact CG-CH2 3.7Å; Y164-W207 HydrophobicContact CG-CZ3 4Å; P189-W207 HydrophobicContact CB-CH2 4.24Å; P189-W207 HydrophobicContact CG-CH2 4.18Å; M205-W207 HydrophobicContact CB-CZ2 4.22Å; M205-W207 HydrophobicContact CG-CZ2 3.85Å; M205-W207 PolarHBondContact O-N 3.16Å; M205-W207 VanDerWaalsContact O-N 3.12Å; M205-W207 HydrophobicContact SD-CH2 4.49Å; M205-W207 HydrophobicContact SD-CZ2 4.04Å; W207-K209 PolarHBondContact O-N 2.81Å
208F95.2Very high90.6Very high21 Ų2172.9 Ų72.99%0.09239%0.391CS..  trans-79.4104.7-179.7-175.3-114.9000110.3Y164 P189 M205 P206 G210 W211 T223Y164-F208 HydrophobicContact CE1-CD2 4.37Å; Y164-F208 HydrophobicContact CE1-CE2 4.38Å; P189-F208 VanDerWaalsContact CD-CE2 3.44Å; P189-F208 HydrophobicContact CG-CB 4.23Å; P189-F208 HydrophobicContact CG-CD1 3.81Å; P189-F208 HydrophobicContact CG-CD2 3.59Å; P189-F208 HydrophobicContact CG-CE1 3.99Å; P189-F208 HydrophobicContact CG-CE2 3.81Å; P189-F208 HydrophobicContact CG-CG 3.6Å; P189-F208 HydrophobicContact CG-CZ 4Å; M205-F208 HydrophobicContact CB-CB 4.26Å; M205-F208 PolarHBondContact O-N 3.13Å; P206-F208 VanDerWaalsContact C-N 3.32Å; F208-G210 PolarHBondContact O-N 3.26Å; F208-W211 HydrophobicContact CZ-CB 4.14Å; F208-T223 HydrophobicContact CD1-CG2 3.93Å; F208-T223 HydrophobicContact CE1-CG2 4.06Å; F208-T223 WeakPolarHBondContact CE1-O 3Å
209K92.3Very high90.4Very high180 Ų18078.3 Ų78.378%0.78342%0.42SS*.  trans-84.68179.8-56.4-51.6-175.9-165.90114P206 W207P206-K209 PolarHBondContact O-NZ 2.92Å; W207-K209 PolarHBondContact O-N 2.81Å
210G92.3Very high90.4Very high20 Ų2077.6 Ų77.621%0.20642%0.421CS..  trans103.2160.5-176.200000113.8F208 G222F208-G210 PolarHBondContact O-N 3.26Å; G210-G222 CarbonylContact C-O 3.58Å; G210-G222 VanDerWaalsContact C-O 3.31Å; G210-G222 WeakPolarHBondContact CA-O 3.44Å
211W94.8Very high90.4Very high10 Ų1074.4 Ų74.44%0.03842%0.416CS..EExtended strand (participates in β ladder)trans-86.1155.9171.753.3-96.2000110.1A186 F187 V188 F208 V213 A220 S221 G222 T224 E227 A228 C231A186-W211 HydrophobicContact CB-CB 4.32Å; A186-W211 HydrophobicContact CB-CD2 3.74Å; A186-W211 HydrophobicContact CB-CE3 3.66Å; A186-W211 HydrophobicContact CB-CG 4.03Å; A186-W211 HydrophobicContact CB-CZ3 4.3Å; F187-W211 WeakPolarHBondContact O-CB 3.47Å; V188-W211 HydrophobicContact CG2-CG 4.23Å; F208-W211 HydrophobicContact CZ-CB 4.14Å; W211-V213 HydrophobicContact CE3-CG1 4.23Å; W211-V213 HydrophobicContact CZ3-CG1 4.4Å; W211-V213 HydrophobicContact CZ3-CG2 4.06Å; W211-A220 HydrophobicContact CZ3-CB 4.43Å; W211-S221 VanDerWaalsContact O-CA 3.23Å; W211-S221 WeakPolarHBondContact O-CA 3.45Å; W211-S221 WeakPolarHBondContact O-CB 3.2Å; W211-G222 VanDerWaalsContact CD1-O 3.23Å; W211-G222 VanDerWaalsContact CZ2-CA 3.49Å; W211-G222 PolarHBondContact N-O 2.72Å; W211-G222 VanDerWaalsContact NE1-C 3.32Å; W211-G222 PolarHBondContact NE1-O 2.85Å; W211-G222 PolarHBondContact O-N 2.58Å; W211-T224 PolarHBondContact NE1-O 2.85Å; W211-E227 VanDerWaalsContact CZ2-C 3.48Å; W211-E227 HydrophobicContact CZ2-CB 3.86Å; W211-A228 HydrophobicContact CH2-CB 4.39Å; W211-A228 HydrophobicContact CZ2-CB 3.77Å; W211-A228 VanDerWaalsContact CZ2-N 3.27Å; W211-C231 HydrophobicContact CH2-CB 3.75Å; W211-C231 HydrophobicContact CZ3-CB 4.28Å
212K93.5Very high90.4Very high165 Ų16570.7 Ų70.772%0.71739%0.393SS*.EExtended strand (participates in β ladder)trans-135.5138.2176-63.5-175.9179.31800108.9A220K212-A220 WeakPolarHBondContact CA-O 3.35Å
213V92.3Very high90.5Very high2 Ų271.8 Ų71.81%0.01240%0.399CS..EExtended strand (participates in β ladder)trans-123.8133.4172.5-64.80000109.8D183 T184 A186 W211 N219 A220D183-V213 CarbonylContact O-C 3.52Å; D183-V213 WeakPolarHBondContact O-CA 3.38Å; T184-V213 WeakPolarHBondContact O-CG1 3.02Å; A186-V213 HydrophobicContact CB-CG1 3.9Å; W211-V213 HydrophobicContact CE3-CG1 4.23Å; W211-V213 HydrophobicContact CZ3-CG1 4.4Å; W211-V213 HydrophobicContact CZ3-CG2 4.06Å; V213-N219 WeakPolarHBondContact O-CA 3.33Å; V213-A220 HydrophobicContact CG2-CB 3.75Å; V213-A220 PolarHBondContact N-O 2.85Å; V213-A220 PolarHBondContact O-N 2.85Å
214T89.2Confident90.6Very high80 Ų8067.4 Ų67.449%0.49136%0.363SS..  trans-111.7115178.7-55.50000108.6D183 T184 N219D183-T214 PolarHBondContact O-N 3.07Å; T184-T214 WeakPolarHBondContact CG2-O 3.41Å; T214-N219 WeakPolarHBondContact CA-OD1 3.23Å; T214-N219 WeakPolarHBondContact CG2-OD1 3.38Å
215R86.1Confident90.7Very high36 Ų3663.5 Ų63.514%0.13634%0.342CS..  trans-140.6154.8-176.5-57.7-178-177.6179.12.2109.7Q144 T184 D217 G218 N219Q144-R215 VanDerWaalsContact OE1-NH1 3.1Å; T184-R215 HydrophobicContact CG2-CG 3.87Å; T184-R215 VanDerWaalsContact O-CZ 3.23Å; T184-R215 PolarHBondContact O-NE 3.39Å; T184-R215 PolarHBondContact O-NH2 3.42Å; R215-D217 PolarHBondContact O-N 3.37Å; R215-G218 PolarHBondContact O-N 3.12Å; R215-N219 PolarHBondContact N-OD1 2.88Å
216K80.2Confident90.6Very high214 Ų21464.9 Ų64.993%0.9335%0.349SS*.THydrogen-bonded Turntrans-61.5-32.7177.9-68-171.9178.4-175.70112.3G218K216-G218 PolarHBondContact O-N 2.86Å
217D76.8Confident90.6Very high130 Ų13064.6 Ų64.670%0.69534%0.34SS*.THydrogen-bonded Turntrans-85.910.8-176.7-47.6-73.9000113.5R215 L233R215-D217 PolarHBondContact O-N 3.37Å; D217-L233 HydrophobicContact CB-CD1 4.1Å; D217-L233 HydrophobicContact CB-CD2 4.19Å
218G79.9Confident90.5Very high42 Ų4262.1 Ų62.143%0.43333%0.332SS..  trans123.5135.4177.900000112.8R215 K216R215-G218 PolarHBondContact O-N 3.12Å; K216-G218 PolarHBondContact O-N 2.86Å
219N89.1Confident90.4Very high115 Ų11561.3 Ų61.362%0.61533%0.328SS*.  trans-77.6150.2172.3-65.7-6.2000110V213 T214 R215V213-N219 WeakPolarHBondContact O-CA 3.33Å; T214-N219 WeakPolarHBondContact CA-OD1 3.23Å; T214-N219 WeakPolarHBondContact CG2-OD1 3.38Å; R215-N219 PolarHBondContact N-OD1 2.88Å
220A90.1Very high90.3Very high33 Ų3353.6 Ų53.627%0.27330%0.296SS..EExtended strand (participates in β ladder)trans-145.1157.7175.900000111.1W211 K212 V213 C231W211-A220 HydrophobicContact CZ3-CB 4.43Å; K212-A220 WeakPolarHBondContact CA-O 3.35Å; V213-A220 HydrophobicContact CG2-CB 3.75Å; V213-A220 PolarHBondContact N-O 2.85Å; V213-A220 PolarHBondContact O-N 2.85Å; A220-C231 HydrophobicContact CB-CB 4.49Å; A220-C231 WeakPolarHBondContact CB-SG 3.24Å
221S92.9Very high90.2Very high87 Ų8753.9 Ų53.961%0.60829%0.294SS*.EExtended strand (participates in β ladder)trans-148.1152.5178.256.90000109.7W211W211-S221 VanDerWaalsContact O-CA 3.23Å; W211-S221 WeakPolarHBondContact O-CA 3.45Å; W211-S221 WeakPolarHBondContact O-CB 3.2Å
222G93.1Very high89.9Confident10 Ų1053.6 Ų53.610%0.10329%0.293CS..EExtended strand (participates in β ladder)trans-167.1-176.8175.100000109.9G210 W211 E227G210-G222 CarbonylContact C-O 3.58Å; G210-G222 VanDerWaalsContact C-O 3.31Å; G210-G222 WeakPolarHBondContact CA-O 3.44Å; W211-G222 VanDerWaalsContact CD1-O 3.23Å; W211-G222 VanDerWaalsContact CZ2-CA 3.49Å; W211-G222 PolarHBondContact N-O 2.72Å; W211-G222 VanDerWaalsContact NE1-C 3.32Å; W211-G222 PolarHBondContact NE1-O 2.85Å; W211-G222 PolarHBondContact O-N 2.58Å; G222-E227 WeakPolarHBondContact CA-OE2 3.4Å
223T93.9Very high89.6Confident37 Ų3748.4 Ų48.423%0.22727%0.273CS..SBendtrans-119.6-27.2-179.2-49.90000111.6P201 F208 E227P201-T223 HydrophobicContact CB-CG2 4.02Å; P201-T223 HydrophobicContact CG-CG2 4.21Å; F208-T223 HydrophobicContact CD1-CG2 3.93Å; F208-T223 HydrophobicContact CE1-CG2 4.06Å; F208-T223 WeakPolarHBondContact CE1-O 3Å; T223-E227 PolarHBondContact N-OE2 2.9Å
224T95.6Very high89.1Confident2 Ų251.6 Ų51.61%0.01229%0.294CS..SBendtrans-105.8164.6-173.370.60000112.6N197 L199 E200 P201 W211 E227 A228N197-T224 CarbonylContact O-C 3.52Å; N197-T224 VanDerWaalsContact O-CA 3.24Å; N197-T224 WeakPolarHBondContact O-CA 3.27Å; N197-T224 WeakPolarHBondContact O-CB 3.32Å; L199-T224 WeakPolarHBondContact O-CG2 3.48Å; E200-T224 VanDerWaalsContact C-CG2 3.46Å; P201-T224 HydrophobicContact CG-CG2 4.33Å; W211-T224 PolarHBondContact NE1-O 2.85Å; T224-E227 PolarHBondContact N-OE2 2.87Å; T224-E227 VanDerWaalsContact OG1-CG 3.27Å; T224-E227 WeakPolarHBondContact OG1-CG 3.32Å; T224-E227 PolarHBondContact OG1-N 2.86Å; T224-E227 PolarHBondContact OG1-OE2 2.88Å; T224-A228 PolarHBondContact O-N 2.94Å
225L94.3Very high88.4Confident1 Ų149.3 Ų49.31%0.00528%0.281CS..Hα-helixtrans-66.6-40.1172.8-176.361.4000110.5T23 L27 I146 V188 I190 N197 M198 E227 A228 L229T23-L225 HydrophobicContact CG2-CD2 3.98Å; L27-L225 HydrophobicContact CD1-CD2 3.97Å; I146-L225 HydrophobicContact CG2-CD1 3.94Å; V188-L225 HydrophobicContact CG1-CB 4.41Å; V188-L225 HydrophobicContact CG2-CD1 4.41Å; I190-L225 HydrophobicContact CD1-CD2 4.04Å; I190-L225 HydrophobicContact CG2-CB 4.25Å; N197-L225 PolarHBondContact O-N 3.03Å; M198-L225 HydrophobicContact CE-CD2 4.01Å; M198-L225 PolarHBondContact O-N 2.98Å; M198-L225 HydrophobicContact SD-CD2 3.78Å; L225-E227 VanDerWaalsContact C-N 3.34Å; L225-E227 PolarHBondContact O-N 2.81Å; L225-A228 WeakPolarHBondContact O-CB 3.48Å; L225-A228 PolarHBondContact O-N 3.23Å; L225-A228 VanDerWaalsContact O-N 3.08Å; L225-L229 WeakPolarHBondContact O-CG 3.19Å; L225-L229 PolarHBondContact O-N 3Å
226L93.1Very high87.8Confident33 Ų3354.2 Ų54.217%0.17332%0.315CS..Hα-helixtrans-59-44.1177.1-171.767000112F77 T79 M198 L199 A228 L229 D230F77-L226 HydrophobicContact CE2-CD1 4.15Å; T79-L226 HydrophobicContact CG2-CD1 3.79Å; M198-L226 PolarHBondContact O-N 3.43Å; L199-L226 HydrophobicContact CD2-CD2 4.36Å; L199-L226 HydrophobicContact CG-CD2 4.1Å; L226-A228 VanDerWaalsContact C-N 3.27Å; L226-A228 PolarHBondContact O-N 3.1Å; L226-L229 WeakPolarHBondContact O-CB 3.47Å; L226-L229 PolarHBondContact O-N 2.67Å; L226-L229 VanDerWaalsContact O-N 3.16Å; L226-D230 PolarHBondContact O-N 2.88Å
227E93.5Very high87.6Confident84 Ų8447.5 Ų47.539%0.39328%0.283SS..Hα-helixtrans-63.5-34.5175.2-71.5169.3151.600112W211 G222 T223 T224 L225 L229 D230 C231W211-E227 VanDerWaalsContact CZ2-C 3.48Å; W211-E227 HydrophobicContact CZ2-CB 3.86Å; G222-E227 WeakPolarHBondContact CA-OE2 3.4Å; T223-E227 PolarHBondContact N-OE2 2.9Å; T224-E227 PolarHBondContact N-OE2 2.87Å; T224-E227 VanDerWaalsContact OG1-CG 3.27Å; T224-E227 WeakPolarHBondContact OG1-CG 3.32Å; T224-E227 PolarHBondContact OG1-N 2.86Å; T224-E227 PolarHBondContact OG1-OE2 2.88Å; L225-E227 VanDerWaalsContact C-N 3.34Å; L225-E227 PolarHBondContact O-N 2.81Å; E227-L229 VanDerWaalsContact C-N 3.31Å; E227-D230 PolarHBondContact O-N 3.32Å; E227-C231 WeakPolarHBondContact O-CB 3.18Å; E227-C231 PolarHBondContact O-N 2.8Å; E227-C231 VanDerWaalsContact O-N 3.08Å
228A93.1Very high87.8Confident3 Ų343.1 Ų43.13%0.02526%0.262CS..Hα-helixtrans-66.5-36.1175.900000111.3I146 A186 V188 W211 T224 L225 L226 C231I146-A228 HydrophobicContact CD1-CB 4.16Å; I146-A228 VanDerWaalsContact CD1-O 3.31Å; I146-A228 WeakPolarHBondContact CD1-O 3.33Å; I146-A228 HydrophobicContact CG2-CB 4.06Å; A186-A228 HydrophobicContact CB-CB 4.1Å; V188-A228 HydrophobicContact CG2-CB 4.02Å; W211-A228 HydrophobicContact CH2-CB 4.39Å; W211-A228 HydrophobicContact CZ2-CB 3.77Å; W211-A228 VanDerWaalsContact CZ2-N 3.27Å; T224-A228 PolarHBondContact O-N 2.94Å; L225-A228 WeakPolarHBondContact O-CB 3.48Å; L225-A228 PolarHBondContact O-N 3.23Å; L225-A228 VanDerWaalsContact O-N 3.08Å; L226-A228 VanDerWaalsContact C-N 3.27Å; L226-A228 PolarHBondContact O-N 3.1Å; A228-C231 WeakPolarHBondContact O-CB 3.45Å; A228-C231 PolarHBondContact O-N 2.82Å
229L92Very high88.2Confident3 Ų343.6 Ų43.62%0.01626%0.257CS..Hα-helixtrans-68.7-39.1173.7-57.6170000111.3I10 L27 F77 V110 I146 L225 L226 E227 C231 I232I10-L229 HydrophobicContact CD1-CD2 3.57Å; I10-L229 HydrophobicContact CD1-CG 4.47Å; L27-L229 HydrophobicContact CD1-CD1 4.21Å; F77-L229 HydrophobicContact CZ-CD1 4.01Å; V110-L229 HydrophobicContact CG2-CD2 3.74Å; I146-L229 HydrophobicContact CD1-CD2 3.83Å; L225-L229 WeakPolarHBondContact O-CG 3.19Å; L225-L229 PolarHBondContact O-N 3Å; L226-L229 WeakPolarHBondContact O-CB 3.47Å; L226-L229 PolarHBondContact O-N 2.67Å; L226-L229 VanDerWaalsContact O-N 3.16Å; E227-L229 VanDerWaalsContact C-N 3.31Å; L229-C231 PolarHBondContact O-N 3.22Å; L229-I232 HydrophobicContact CB-CD1 4.39Å; L229-I232 HydrophobicContact CD2-CD1 4.19Å; L229-I232 VanDerWaalsContact O-CB 3.31Å; L229-I232 WeakPolarHBondContact O-CB 3.49Å; L229-I232 WeakPolarHBondContact O-CD1 3.23Å; L229-I232 WeakPolarHBondContact O-CG1 3.38Å; L229-I232 PolarHBondContact O-N 3.05Å; L229-I232 VanDerWaalsContact O-N 3.11Å
230D90.1Very high88.1Confident19 Ų1945.6 Ų45.610%0.10227%0.267CS..Hα-helixtrans-67.6-14.4173.8-90-29000113.9T79 S80 K81 L226 E227T79-D230 WeakPolarHBondContact CB-OD1 3.46Å; T79-D230 PolarHBondContact OG1-OD1 3.42Å; S80-D230 PolarHBondContact N-OD2 3.42Å; S80-D230 PolarHBondContact OG-OD1 3.39Å; S80-D230 PolarHBondContact OG-OD2 3.33Å; K81-D230 PolarHBondContact N-OD1 3.44Å; L226-D230 PolarHBondContact O-N 2.88Å; E227-D230 PolarHBondContact O-N 3.32Å
231C89.7Confident88.2Confident25 Ų2547.5 Ų47.517%0.16927%0.27CS..THydrogen-bonded Turntrans-87.7-4.3174.6-173.60000113.2W211 A220 E227 A228 L229 L233W211-C231 HydrophobicContact CH2-CB 3.75Å; W211-C231 HydrophobicContact CZ3-CB 4.28Å; A220-C231 HydrophobicContact CB-CB 4.49Å; A220-C231 WeakPolarHBondContact CB-SG 3.24Å; E227-C231 WeakPolarHBondContact O-CB 3.18Å; E227-C231 PolarHBondContact O-N 2.8Å; E227-C231 VanDerWaalsContact O-N 3.08Å; A228-C231 WeakPolarHBondContact O-CB 3.45Å; A228-C231 PolarHBondContact O-N 2.82Å; L229-C231 PolarHBondContact O-N 3.22Å; C231-L233 PolarHBondContact O-N 2.79Å
232I89.9Confident88.3Confident4 Ų444.5 Ų44.52%0.02125%0.248CC..PPolyproline II helixtrans-59.5130.9175.7-67.8167.7000108.6I8 I10 Y82 C108 I146 L229I8-I232 HydrophobicContact CD1-CB 4.26Å; I8-I232 HydrophobicContact CD1-CD1 3.84Å; I8-I232 HydrophobicContact CD1-CG2 4.27Å; I10-I232 HydrophobicContact CD1-CD1 3.42Å; I10-I232 VanDerWaalsContact CD1-CD1 3.42Å; I10-I232 HydrophobicContact CG1-CD1 4.08Å; Y82-I232 WeakPolarHBondContact CE2-O 3.37Å; Y82-I232 PolarHBondContact OH-O 2.57Å; C108-I232 HydrophobicContact CB-CD1 3.66Å; C108-I232 HydrophobicContact CB-CG1 4.03Å; C108-I232 HydrophobicContact CB-CG2 4.14Å; I146-I232 HydrophobicContact CD1-CD1 4.12Å; I146-I232 HydrophobicContact CD1-CG1 4.03Å; L229-I232 HydrophobicContact CB-CD1 4.39Å; L229-I232 HydrophobicContact CD2-CD1 4.19Å; L229-I232 VanDerWaalsContact O-CB 3.31Å; L229-I232 WeakPolarHBondContact O-CB 3.49Å; L229-I232 WeakPolarHBondContact O-CD1 3.23Å; L229-I232 WeakPolarHBondContact O-CG1 3.38Å; L229-I232 PolarHBondContact O-N 3.05Å; L229-I232 VanDerWaalsContact O-N 3.11Å
233L86.1Confident88.5Confident56 Ų5644.2 Ų44.229%0.29324%0.244SC..PPolyproline II helixtrans-71.7131.3172.9-63.5172.3000107.7Q144 D217 C231Q144-L233 PolarHBondContact NE2-O 2.78Å; D217-L233 HydrophobicContact CB-CD1 4.1Å; D217-L233 HydrophobicContact CB-CD2 4.19Å; C231-L233 PolarHBondContact O-N 2.79Å
234P81.8Confident88.7Confident69 Ų6942.4 Ų42.445%0.44823%0.233SC..PPolyproline II helixtrans-54.3133.7175.5-21.229.9000110Y82 T236Y82-P234 HydrophobicContact CE1-CG 4.19Å; Y82-P234 VanDerWaalsContact OH-CD 3.27Å; Y82-P234 WeakPolarHBondContact OH-CD 3.36Å; Y82-P234 VanDerWaalsContact OH-CG 3.32Å; Y82-P234 WeakPolarHBondContact OH-CG 3.31Å; P234-T236 PolarHBondContact O-N 3Å
235P75.9Confident88.7Confident33 Ų3342.3 Ų42.321%0.21423%0.232CC..PPolyproline II helixtrans-61.8134.5173.828.4-35.8000109.2D107 R237D107-P235 HydrophobicContact CB-CB 4.3Å; D107-P235 HydrophobicContact CB-CG 4.24Å; D107-P235 WeakPolarHBondContact OD1-CB 3.49Å; D107-P235 WeakPolarHBondContact OD1-CG 3.25Å; P235-R237 PolarHBondContact O-N 2.83Å
236T73.2Confident88.8Confident139 Ų13942.5 Ų42.585%0.85323%0.234SC*.  trans-68.1100.9169-46.80000107.9P234 P238P234-T236 PolarHBondContact O-N 3Å; T236-P238 WeakPolarHBondContact O-CD 3.35Å
237R75Confident88.8Confident72 Ų7241 Ų4127%0.27223%0.226SC..  trans-65.6122177.1-67.1-173.7-168.5-85.8-8.2108.5H7 P235 T239 P301H7-R237 PolarHBondContact O-NH2 3.45Å; P235-R237 PolarHBondContact O-N 2.83Å; R237-T239 HydrophobicContact CB-CG2 4.42Å; R237-T239 PolarHBondContact O-N 2.91Å; R237-P301 HydrophobicContact CB-CB 4.22Å; R237-P301 HydrophobicContact CB-CG 4.4Å; R237-P301 WeakPolarHBondContact CD-O 3.49Å; R237-P301 PolarHBondContact NH1-O 3.14Å
238P81.7Confident88.4Confident38 Ų3839.4 Ų39.425%0.24722%0.218CC..  trans-79.463.4-175.731.1-34.7000111.4T236 D240 K241 E265 T266 G267 P301T236-P238 WeakPolarHBondContact O-CD 3.35Å; P238-D240 VanDerWaalsContact C-N 3.31Å; P238-K241 HydrophobicContact CB-CB 4.22Å; P238-K241 HydrophobicContact CB-CD 3.94Å; P238-K241 HydrophobicContact CB-CG 4.04Å; P238-K241 PolarHBondContact O-N 3.24Å; P238-E265 VanDerWaalsContact CG-O 3.31Å; P238-E265 WeakPolarHBondContact CG-O 3.41Å; P238-T266 HydrophobicContact CB-CG2 4.1Å; P238-T266 HydrophobicContact CG-CG2 3.68Å; P238-G267 PolarHBondContact O-N 3.01Å; P238-P301 HydrophobicContact CG-CB 4.27Å; P238-P301 HydrophobicContact CG-CG 4.38Å
239T87.1Confident87.9Confident53 Ų5342.5 Ų42.533%0.32524%0.235SC..THydrogen-bonded Turntrans-67.4-32.3178.947.10000112.4R237 K241 V268 L300 P301R237-T239 HydrophobicContact CB-CG2 4.42Å; R237-T239 PolarHBondContact O-N 2.91Å; T239-K241 VanDerWaalsContact C-N 3.3Å; T239-V268 HydrophobicContact CG2-CG2 4.47Å; T239-L300 HydrophobicContact CG2-CD2 4.38Å; T239-P301 HydrophobicContact CG2-CG 4.05Å
240D88.1Confident87.8Confident157 Ų15743.8 Ų43.884%0.8424%0.242SC*.THydrogen-bonded Turntrans-81.1-12.7-177.6-52.9-37.3000112.8P238P238-D240 VanDerWaalsContact C-N 3.31Å
241K92.3Very high87.8Confident73 Ų7348.7 Ų48.732%0.31726%0.26SS..SBendtrans-77.5155.6175.3-70.8-165.7176-171.70110.5P238 T239 T266 G267 D414P238-K241 HydrophobicContact CB-CB 4.22Å; P238-K241 HydrophobicContact CB-CD 3.94Å; P238-K241 HydrophobicContact CB-CG 4.04Å; P238-K241 PolarHBondContact O-N 3.24Å; T239-K241 VanDerWaalsContact C-N 3.3Å; K241-T266 HydrophobicContact CB-CG2 4.43Å; K241-T266 HydrophobicContact CD-CG2 4.35Å; K241-G267 WeakPolarHBondContact O-CA 3.4Å; K241-G267 PolarHBondContact O-N 2.55Å; K241-D414 WeakPolarHBondContact CD-O 3.32Å; K241-D414 PolarHBondContact NZ-O 3.18Å
242P95.8Very high87.8Confident23 Ų2355.6 Ų55.615%0.14929%0.288CS..PPolyproline II helixtrans-59.4155.7173.2-24.835.4000113.1R244 T266 N328 D329 Y415P242-R244 PolarHBondContact O-N 3.07Å; P242-T266 CarbonylContact O-C 3.58Å; P242-T266 WeakPolarHBondContact O-CB 3.26Å; P242-T266 PolarHBondContact O-OG1 3.43Å; P242-N328 WeakPolarHBondContact CB-O 3.32Å; P242-D329 HydrophobicContact CB-CB 4.13Å; P242-D329 HydrophobicContact CG-CB 3.96Å; P242-Y415 HydrophobicContact CB-CE1 4.43Å; P242-Y415 VanDerWaalsContact CB-OH 3.29Å; P242-Y415 WeakPolarHBondContact CB-OH 3.4Å; P242-Y415 WeakPolarHBondContact CD-OH 3.37Å; P242-Y415 WeakPolarHBondContact CG-OH 3.42Å
243L96.9Very high87.7Confident4 Ų458.9 Ų58.92%0.02130%0.304CS..PPolyproline II helixtrans-64.4126.9-176177.767.9000111.3L245 V264 T266 L269 M273 V275 G324 D325L243-L245 HydrophobicContact CD1-CB 4.48Å; L243-V264 HydrophobicContact CD1-CG1 4.04Å; L243-T266 CarbonylContact C-O 3.57Å; L243-T266 VanDerWaalsContact CA-O 3.26Å; L243-T266 WeakPolarHBondContact CA-O 3.41Å; L243-L269 HydrophobicContact CD1-CB 4.11Å; L243-L269 HydrophobicContact CD2-CB 4.41Å; L243-L269 HydrophobicContact CD2-CD1 3.74Å; L243-M273 HydrophobicContact CD2-CE 4.43Å; L243-V275 HydrophobicContact CD2-CG1 4.13Å; L243-G324 WeakPolarHBondContact O-CA 3.5Å; L243-D325 HydrophobicContact CB-CB 4.25Å
244R97.3Very high87.8Confident0 Ų059.8 Ų59.80%033%0.327CS..BIsolated β-bridgetrans-133.2119.4164-66.6-65.6-177.5-81.5-0.7109.6P242 E265 T266 D329 E410 Y415 L418P242-R244 PolarHBondContact O-N 3.07Å; R244-E265 WeakPolarHBondContact O-CB 3.31Å; R244-E265 PolarHBondContact O-N 2.67Å; R244-T266 WeakPolarHBondContact CB-OG1 3.16Å; R244-T266 WeakPolarHBondContact CG-OG1 3.2Å; R244-T266 PolarHBondContact N-O 3.48Å; R244-T266 PolarHBondContact N-OG1 3.46Å; R244-T266 PolarHBondContact O-N 3.08Å; R244-D329 VanDerWaalsContact CZ-O 3.25Å; R244-D329 IonicContact CZ-OD2 3.98Å; R244-D329 PolarHBondContact NH1-O 3.08Å; R244-D329 PolarHBondContact NH2-O 3.37Å; R244-D329 IonicContact NH2-OD1 3.75Å; R244-D329 IonicContact NH2-OD2 3.63Å; R244-D329 PolarHBondContact NH2-OD2 3.45Å; R244-E410 IonicContact CZ-OE1 2.94Å; R244-E410 VanDerWaalsContact CZ-OE1 3.27Å; R244-E410 IonicContact NE-OE1 2.84Å; R244-E410 PolarHBondContact NE-OE1 3.05Å; R244-E410 IonicContact NH2-OE1 3.76Å; R244-E410 PolarHBondContact NH2-OE1 2.8Å; R244-Y415 HydrophobicContact CB-CD1 4.45Å; R244-Y415 HydrophobicContact CG-CD1 3.5Å; R244-Y415 VanDerWaalsContact CG-CD1 3.5Å; R244-Y415 HydrophobicContact CG-CE1 3.72Å; R244-Y415 HydrophobicContact CG-CG 4.06Å; R244-L418 HydrophobicContact CB-CD1 4.02Å; R244-L418 HydrophobicContact CB-CD2 4.17Å; R244-L418 HydrophobicContact CG-CD2 4.16Å
245L96.9Very high88Confident0 Ų061 Ų610%035%0.353CS..EExtended strand (participates in β ladder)trans-133.993.5-180-165.2173000108.9L243 L247 V264 L269 V305 F307 A323L243-L245 HydrophobicContact CD1-CB 4.48Å; L245-L247 HydrophobicContact CD2-CD2 3.95Å; L245-V264 HydrophobicContact CD1-CG2 3.91Å; L245-V264 HydrophobicContact CG-CG2 4.35Å; L245-L269 HydrophobicContact CD1-CD2 3.76Å; L245-V305 HydrophobicContact CD1-CG2 4.14Å; L245-F307 HydrophobicContact CD1-CD1 4.18Å; L245-F307 HydrophobicContact CD1-CE1 3.74Å; L245-F307 HydrophobicContact CD1-CZ 4.42Å; L245-F307 HydrophobicContact CD2-CE1 3.93Å; L245-F307 HydrophobicContact CG-CE1 4.5Å; L245-A323 HydrophobicContact CB-CB 4.32Å; L245-A323 PolarHBondContact N-O 3.49Å; L245-A323 PolarHBondContact O-N 3Å
246P95.1Very high88.6Confident5 Ų562.9 Ų62.93%0.03236%0.36CS..EExtended strand (participates in β ladder)trans-65.8130.2172.7-19.433.3000111.5Q248 E265 V322 H361 T362 L418P246-Q248 PolarHBondContact O-N 3.47Å; P246-E265 HydrophobicContact CG-CG 4.05Å; P246-V322 HydrophobicContact CB-CG2 4.49Å; P246-H361 HydrophobicContact CB-CB 4.15Å; P246-H361 HydrophobicContact CG-CB 4.07Å; P246-T362 HydrophobicContact CB-CG2 3.99Å; P246-L418 HydrophobicContact CG-CD1 3.86Å; P246-L418 HydrophobicContact CG-CG 4.25Å
247L93.9Very high89.4Confident0 Ų057.8 Ų57.80%034%0.335CS..EExtended strand (participates in β ladder)trans-78.7122.1-178.2-57.7-170.3000110.9L245 V250 P260 F277 F307 V317 R319 G320 N321 T362L245-L247 HydrophobicContact CD2-CD2 3.95Å; L247-V250 HydrophobicContact CD1-CG2 4.08Å; L247-P260 HydrophobicContact CD1-CB 4Å; L247-P260 HydrophobicContact CD2-CB 3.66Å; L247-P260 HydrophobicContact CG-CB 4.43Å; L247-F277 HydrophobicContact CD1-CD1 3.96Å; L247-F277 HydrophobicContact CD1-CE1 3.9Å; L247-F277 HydrophobicContact CD2-CE1 4.26Å; L247-F307 HydrophobicContact CD2-CE1 4.16Å; L247-F307 HydrophobicContact CD2-CZ 4.02Å; L247-V317 HydrophobicContact CD1-CB 4.23Å; L247-R319 WeakPolarHBondContact O-CA 3.42Å; L247-G320 PolarHBondContact O-N 3.33Å; L247-N321 HydrophobicContact CD1-CB 4.06Å; L247-N321 HydrophobicContact CG-CB 4.41Å; L247-N321 WeakPolarHBondContact CG-O 3.33Å; L247-N321 PolarHBondContact N-O 3.31Å; L247-T362 WeakPolarHBondContact O-CB 3.42Å; L247-T362 PolarHBondContact O-OG1 2.99Å
248Q83.8Confident90.3Very high52 Ų5254.9 Ų54.924%0.24333%0.325CS..EExtended strand (participates in β ladder)trans-81.4-48.6172-67.71743.800110.4P246 V261 R319 T362P246-Q248 PolarHBondContact O-N 3.47Å; Q248-V261 PolarHBondContact N-O 3.16Å; Q248-R319 VanDerWaalsContact O-CB 3.28Å; Q248-R319 WeakPolarHBondContact O-CB 3.42Å; Q248-R319 WeakPolarHBondContact O-CD 3.33Å; Q248-R319 WeakPolarHBondContact O-CG 3.09Å; Q248-T362 HydrophobicContact CG-CG2 3.79Å
249D84.3Confident90.9Very high68 Ų6853.8 Ų53.836%0.36432%0.317SS..EExtended strand (participates in β ladder)trans-147.8164.9-179.1-76.2-57000111.5Y251 V261D249-Y251 HydrophobicContact CB-CE2 3.74Å; D249-V261 PolarHBondContact N-O 2.97Å; D249-V261 PolarHBondContact O-N 2.7Å
250V89.6Confident91.3Very high30 Ų3051.2 Ų51.218%0.18230%0.302CS..EExtended strand (participates in β ladder)trans-136.8121.1176.6-174.20000109.2L247 T258 P260 V314 V317L247-V250 HydrophobicContact CD1-CG2 4.08Å; V250-T258 HydrophobicContact CG1-CG2 3.73Å; V250-P260 HydrophobicContact CG1-CG 4.4Å; V250-P260 HydrophobicContact CG2-CB 4.35Å; V250-V314 HydrophobicContact CG1-CB 4.33Å; V250-V314 HydrophobicContact CG1-CG1 4.02Å; V250-V317 HydrophobicContact CG1-CG2 3.87Å; V250-V317 HydrophobicContact CG2-CG2 4.07Å
251Y88.6Confident91.3Very high121 Ų12145.5 Ų45.548%0.47527%0.272SS..EExtended strand (participates in β ladder)trans-109.1152.5-178.5-59.5-78.6000112.1D249 T258 V259 V261D249-Y251 HydrophobicContact CB-CE2 3.74Å; Y251-T258 WeakPolarHBondContact O-CA 3.46Å; Y251-V259 PolarHBondContact N-O 3.39Å; Y251-V259 PolarHBondContact O-N 2.76Å; Y251-V261 HydrophobicContact CD2-CG2 3.73Å; Y251-V261 HydrophobicContact CE2-CB 4.33Å; Y251-V261 HydrophobicContact CE2-CG2 3.73Å
252K90.8Very high91.1Very high171 Ų17142 Ų4274%0.74326%0.257SS*.EExtended strand (participates in β ladder)trans-107111.6165.7-171.1178.5179.9-175.30108.2G257 V314K252-G257 WeakPolarHBondContact CA-O 3.26Å; K252-V314 HydrophobicContact CB-CG1 3.71Å; K252-V314 HydrophobicContact CG-CG1 4.47Å
253I88.5Confident90.7Very high73 Ų7341.9 Ų41.937%0.37425%0.254SS..EExtended strand (participates in β ladder)trans-105.1126.6179.4-54.4-178.4000108.8G255 I256 G257 V259I253-G255 PolarHBondContact O-N 3Å; I253-I256 HydrophobicContact CB-CB 4.05Å; I253-I256 HydrophobicContact CG2-CB 4.09Å; I253-I256 HydrophobicContact CG2-CD1 3.85Å; I253-I256 HydrophobicContact CG2-CG1 4.08Å; I253-I256 PolarHBondContact O-N 3.38Å; I253-G257 PolarHBondContact N-O 3.37Å; I253-G257 PolarHBondContact O-N 2.8Å; I253-V259 HydrophobicContact CD1-CB 4.15Å; I253-V259 HydrophobicContact CD1-CG2 3.84Å; I253-V259 HydrophobicContact CG1-CG2 4.23Å
254G87.1Confident90.4Very high75 Ų7541.7 Ų41.777%0.77325%0.253SS*.THydrogen-bonded Turntrans-57.4132.9177.100000111.3I256G254-I256 PolarHBondContact O-N 2.85Å; G254-I256 VanDerWaalsContact O-N 3.12Å
255G86.3Confident90.1Very high95 Ų9543 Ų4398%0.97926%0.259SS*.THydrogen-bonded Turntrans79.2-25.1-177.700000115.7I253I253-G255 PolarHBondContact O-N 3Å
256I87.4Confident89.9Confident72 Ų7243 Ų4337%0.36926%0.259SS..THydrogen-bonded Turntrans-98.1-45.2-178.1-61.9-174.2000111.5I253 G254 V259 N308I253-I256 HydrophobicContact CB-CB 4.05Å; I253-I256 HydrophobicContact CG2-CB 4.09Å; I253-I256 HydrophobicContact CG2-CD1 3.85Å; I253-I256 HydrophobicContact CG2-CG1 4.08Å; I253-I256 PolarHBondContact O-N 3.38Å; G254-I256 PolarHBondContact O-N 2.85Å; G254-I256 VanDerWaalsContact O-N 3.12Å; I256-V259 HydrophobicContact CG2-CG2 3.78Å; I256-N308 HydrophobicContact CG2-CB 4.25Å; I256-N308 WeakPolarHBondContact CG2-ND2 3.47Å; I256-N308 PolarHBondContact O-ND2 2.86Å
257G91Very high89.8Confident31 Ų3142.9 Ų42.932%0.3226%0.259SS..EExtended strand (participates in β ladder)trans111.5-139.1-177.300000113.1K252 I253K252-G257 WeakPolarHBondContact CA-O 3.26Å; I253-G257 PolarHBondContact N-O 3.37Å; I253-G257 PolarHBondContact O-N 2.8Å
258T94.7Very high89.8Confident11 Ų1144.3 Ų44.37%0.06727%0.267CS..EExtended strand (participates in β ladder)trans-92.2126.7-177.6-62.10000109.8V250 Y251 V309 V312 V314 V317V250-T258 HydrophobicContact CG1-CG2 3.73Å; Y251-T258 WeakPolarHBondContact O-CA 3.46Å; T258-V309 HydrophobicContact CG2-CG2 4.05Å; T258-V309 PolarHBondContact O-N 3Å; T258-V309 VanDerWaalsContact O-N 3.11Å; T258-V312 VanDerWaalsContact CB-O 3.29Å; T258-V312 WeakPolarHBondContact CB-O 3.26Å; T258-V312 PolarHBondContact OG1-O 2.61Å; T258-V314 HydrophobicContact CG2-CG1 3.93Å; T258-V317 HydrophobicContact CG2-CG2 4.47Å
259V94Very high90.4Very high15 Ų1541.9 Ų41.99%0.09126%0.256CS..EExtended strand (participates in β ladder)trans-12797.3-178.6-177.60000109.3Y251 I253 I256 F307Y251-V259 PolarHBondContact N-O 3.39Å; Y251-V259 PolarHBondContact O-N 2.76Å; I253-V259 HydrophobicContact CD1-CB 4.15Å; I253-V259 HydrophobicContact CD1-CG2 3.84Å; I253-V259 HydrophobicContact CG1-CG2 4.23Å; I256-V259 HydrophobicContact CG2-CG2 3.78Å; V259-F307 WeakPolarHBondContact CA-O 3.49Å
260P94.6Very high91Very high0 Ų042.8 Ų42.80%026%0.257CS..EExtended strand (participates in β ladder)trans-67.8146.6165.3-19.434.1000111.2L247 V250 F277 G306 F307 V309L247-P260 HydrophobicContact CD1-CB 4Å; L247-P260 HydrophobicContact CD2-CB 3.66Å; L247-P260 HydrophobicContact CG-CB 4.43Å; V250-P260 HydrophobicContact CG1-CG 4.4Å; V250-P260 HydrophobicContact CG2-CB 4.35Å; P260-F277 HydrophobicContact CG-CE1 4.29Å; P260-F277 HydrophobicContact CG-CZ 4.17Å; P260-G306 WeakPolarHBondContact O-CA 3.48Å; P260-F307 HydrophobicContact CB-CE1 3.91Å; P260-F307 HydrophobicContact CB-CE2 4.32Å; P260-F307 HydrophobicContact CB-CZ 3.78Å; P260-F307 WeakPolarHBondContact CD-O 3.18Å; P260-F307 HydrophobicContact CG-CE2 4.21Å; P260-F307 HydrophobicContact CG-CZ 4.14Å; P260-F307 WeakPolarHBondContact O-CD1 3.29Å; P260-F307 PolarHBondContact O-N 3.24Å; P260-V309 HydrophobicContact CG-CG2 4.09Å
261V88.8Confident91.3Very high36 Ų3643.8 Ų43.822%0.21826%0.264CS..EExtended strand (participates in β ladder)trans-125136.6177.2179.20000108.9Q248 D249 Y251 V305Q248-V261 PolarHBondContact N-O 3.16Å; D249-V261 PolarHBondContact N-O 2.97Å; D249-V261 PolarHBondContact O-N 2.7Å; Y251-V261 HydrophobicContact CD2-CG2 3.73Å; Y251-V261 HydrophobicContact CE2-CB 4.33Å; Y251-V261 HydrophobicContact CE2-CG2 3.73Å; V261-V305 WeakPolarHBondContact CA-O 3.36Å
262G88.3Confident91.5Very high0 Ų040 Ų400%026%0.261CS..EExtended strand (participates in β ladder)trans-175.2177.7175.100000112.8V305G262-V305 PolarHBondContact N-O 2.86Å; G262-V305 PolarHBondContact O-N 2.61Å
263R87.2Confident91.7Very high20 Ų2033.6 Ų33.68%0.07523%0.234CC..EExtended strand (participates in β ladder)trans-95.4132.5177.7-170.5173.2175.2-101.34109.9E265 G302 D303 N304R263-E265 IonicContact CZ-OE1 2.74Å; R263-E265 IonicContact NH1-OE1 3.19Å; R263-E265 PolarHBondContact NH1-OE1 3Å; R263-E265 IonicContact NH1-OE2 2.62Å; R263-E265 PolarHBondContact NH1-OE2 2.84Å; R263-E265 PolarHBondContact O-N 3.16Å; R263-G302 PolarHBondContact NE-O 2.79Å; R263-D303 WeakPolarHBondContact CA-O 3.41Å; R263-N304 WeakPolarHBondContact CB-OD1 3.38Å
264V91.3Very high92Very high0 Ų030.5 Ų30.50%022%0.219CC..  trans-70.9115.6169.9-175.20000107.8L243 L245 G267 A299 L300 P301 G302 D303 V305L243-V264 HydrophobicContact CD1-CG1 4.04Å; L245-V264 HydrophobicContact CD1-CG2 3.91Å; L245-V264 HydrophobicContact CG-CG2 4.35Å; V264-G267 WeakPolarHBondContact CG1-O 3.26Å; V264-A299 HydrophobicContact CG2-CB 4.06Å; V264-L300 WeakPolarHBondContact CB-O 3.49Å; V264-P301 CarbonylContact O-C 3.57Å; V264-P301 WeakPolarHBondContact O-CA 3.43Å; V264-G302 PolarHBondContact O-N 3.04Å; V264-D303 PolarHBondContact N-O 3.48Å; V264-V305 HydrophobicContact CG2-CG2 4.12Å
265E89Confident92.5Very high28 Ų2827 Ų2713%0.13118%0.182CC..  trans-92.7-41.3180-70.2-59.9154.300111.8P238 R244 P246 R263 P417 L418P238-E265 VanDerWaalsContact CG-O 3.31Å; P238-E265 WeakPolarHBondContact CG-O 3.41Å; R244-E265 WeakPolarHBondContact O-CB 3.31Å; R244-E265 PolarHBondContact O-N 2.67Å; P246-E265 HydrophobicContact CG-CG 4.05Å; R263-E265 IonicContact CZ-OE1 2.74Å; R263-E265 IonicContact NH1-OE1 3.19Å; R263-E265 PolarHBondContact NH1-OE1 3Å; R263-E265 IonicContact NH1-OE2 2.62Å; R263-E265 PolarHBondContact NH1-OE2 2.84Å; R263-E265 PolarHBondContact O-N 3.16Å; E265-P417 HydrophobicContact CB-CB 3.94Å; E265-P417 HydrophobicContact CB-CG 4.06Å; E265-P417 HydrophobicContact CG-CB 3.8Å; E265-P417 HydrophobicContact CG-CG 4.38Å; E265-P417 WeakPolarHBondContact OE2-CB 3.28Å; E265-P417 VanDerWaalsContact OE2-CG 3.27Å; E265-P417 WeakPolarHBondContact OE2-CG 3.31Å; E265-L418 HydrophobicContact CB-CD1 4.23Å; E265-L418 HydrophobicContact CG-CD1 4.31Å
266T92.7Very high92.9Very high1 Ų122.9 Ų22.91%0.00614%0.138CC..BIsolated β-bridgetrans-141.6156.5175.264.10000111P238 K241 P242 L243 R244 Y415P238-T266 HydrophobicContact CB-CG2 4.1Å; P238-T266 HydrophobicContact CG-CG2 3.68Å; K241-T266 HydrophobicContact CB-CG2 4.43Å; K241-T266 HydrophobicContact CD-CG2 4.35Å; P242-T266 CarbonylContact O-C 3.58Å; P242-T266 WeakPolarHBondContact O-CB 3.26Å; P242-T266 PolarHBondContact O-OG1 3.43Å; L243-T266 CarbonylContact C-O 3.57Å; L243-T266 VanDerWaalsContact CA-O 3.26Å; L243-T266 WeakPolarHBondContact CA-O 3.41Å; R244-T266 WeakPolarHBondContact CB-OG1 3.16Å; R244-T266 WeakPolarHBondContact CG-OG1 3.2Å; R244-T266 PolarHBondContact N-O 3.48Å; R244-T266 PolarHBondContact N-OG1 3.46Å; R244-T266 PolarHBondContact O-N 3.08Å; T266-Y415 HydrophobicContact CG2-CD1 3.93Å; T266-Y415 WeakPolarHBondContact OG1-CD1 3.23Å
267G94.2Very high93.4Very high2 Ų219.5 Ų19.52%0.02112%0.121CC..SBendtrans70.1-166.2-179.600000114P238 K241 V264 P301P238-G267 PolarHBondContact O-N 3.01Å; K241-G267 WeakPolarHBondContact O-CA 3.4Å; K241-G267 PolarHBondContact O-N 2.55Å; V264-G267 WeakPolarHBondContact CG1-O 3.26Å; G267-P301 WeakPolarHBondContact O-CD 3.47Å; G267-P301 VanDerWaalsContact O-CG 3.26Å; G267-P301 WeakPolarHBondContact O-CG 3.42Å
268V94.6Very high93.6Very high29 Ų2918.1 Ų18.118%0.17611%0.106CC..  trans-125.9137.2-177-178.20000109T239 K270 E298 A299 L300T239-V268 HydrophobicContact CG2-CG2 4.47Å; V268-K270 HydrophobicContact CG1-CD 4.46Å; V268-K270 HydrophobicContact CG1-CG 3.96Å; V268-E298 HydrophobicContact CG1-CB 3.85Å; V268-A299 WeakPolarHBondContact CA-O 3.37Å; V268-A299 WeakPolarHBondContact CG1-O 3.47Å; V268-L300 HydrophobicContact CG1-CD2 4.13Å; V268-L300 HydrophobicContact CG2-CD2 3.85Å
269L96.1Very high93.6Very high1 Ų118.2 Ų18.21%0.00511%0.107CC..BIsolated β-bridgetrans-106.3125.7173.417972.8000109.5L243 L245 V275 V286 V289 E298 A299 V305 F307L243-L269 HydrophobicContact CD1-CB 4.11Å; L243-L269 HydrophobicContact CD2-CB 4.41Å; L243-L269 HydrophobicContact CD2-CD1 3.74Å; L245-L269 HydrophobicContact CD1-CD2 3.76Å; L269-V275 HydrophobicContact CD1-CG1 4.12Å; L269-V286 HydrophobicContact CD1-CG2 4.13Å; L269-V289 HydrophobicContact CD2-CG1 4.07Å; L269-V289 HydrophobicContact CD2-CG2 3.85Å; L269-V289 HydrophobicContact CG-CG2 3.95Å; L269-E298 CarbonylContact O-C 3.58Å; L269-E298 WeakPolarHBondContact O-CA 2.97Å; L269-A299 HydrophobicContact CB-CB 4.29Å; L269-A299 PolarHBondContact N-O 2.78Å; L269-A299 PolarHBondContact O-N 3.5Å; L269-V305 HydrophobicContact CD2-CG2 4.09Å; L269-F307 HydrophobicContact CD2-CB 4.02Å; L269-F307 HydrophobicContact CD2-CD1 3.94Å; L269-F307 HydrophobicContact CD2-CD2 4.5Å; L269-F307 HydrophobicContact CD2-CG 3.92Å
270K95.7Very high93.6Very high88 Ų8819.9 Ų19.938%0.38312%0.117SC..  trans-126147.7177-48.5-163.6-170.7-158.80111.1V268 G272 M273 E298V268-K270 HydrophobicContact CG1-CD 4.46Å; V268-K270 HydrophobicContact CG1-CG 3.96Å; K270-G272 PolarHBondContact O-N 2.79Å; K270-M273 HydrophobicContact CB-CG 4.04Å; K270-M273 HydrophobicContact CB-SD 3.92Å; K270-M273 HydrophobicContact CG-SD 4.08Å; K270-M273 PolarHBondContact N-SD 3.47Å; K270-M273 WeakPolarHBondContact O-CB 3.37Å; K270-M273 WeakPolarHBondContact O-CG 3.44Å; K270-M273 PolarHBondContact O-N 3.35Å; K270-E298 HydrophobicContact CD-CB 4.06Å; K270-E298 WeakPolarHBondContact CE-OE2 3.46Å; K270-E298 HydrophobicContact CG-CB 3.8Å; K270-E298 IonicContact NZ-OE2 2.69Å; K270-E298 PolarHBondContact NZ-OE2 3.36Å
271P95.8Very high93.5Very high51 Ų5122 Ų2233%0.33113%0.129SC..THydrogen-bonded Turntrans-51.2139.9163.4-24.134.8000111.2M273 V289 S297P271-M273 VanDerWaalsContact C-N 3.32Å; P271-M273 PolarHBondContact O-N 3.39Å; P271-V289 HydrophobicContact CG-CB 4.46Å; P271-V289 HydrophobicContact CG-CG2 4.11Å; P271-S297 WeakPolarHBondContact CD-O 3.42Å
272G93.6Very high93.7Very high40 Ų4020.7 Ų20.741%0.41212%0.121SC..THydrogen-bonded Turntrans85.6-9-176.900000115.1K270 V286K270-G272 PolarHBondContact O-N 2.79Å; G272-V286 WeakPolarHBondContact CA-O 3.43Å; G272-V286 PolarHBondContact N-O 2.86Å
273M94.9Very high94Very high37 Ų3721.2 Ų21.218%0.18212%0.124CC..  trans-66.1145.4174-72.4-177.170.200111.5L243 K270 P271 V275 E285 V286 D325L243-M273 HydrophobicContact CD2-CE 4.43Å; K270-M273 HydrophobicContact CB-CG 4.04Å; K270-M273 HydrophobicContact CB-SD 3.92Å; K270-M273 HydrophobicContact CG-SD 4.08Å; K270-M273 PolarHBondContact N-SD 3.47Å; K270-M273 WeakPolarHBondContact O-CB 3.37Å; K270-M273 WeakPolarHBondContact O-CG 3.44Å; K270-M273 PolarHBondContact O-N 3.35Å; P271-M273 VanDerWaalsContact C-N 3.32Å; P271-M273 PolarHBondContact O-N 3.39Å; M273-V275 HydrophobicContact CB-CG1 4.44Å; M273-E285 WeakPolarHBondContact O-CA 3.38Å; M273-V286 PolarHBondContact O-N 2.89Å; M273-D325 HydrophobicContact CE-CB 3.89Å; M273-D325 WeakPolarHBondContact CE-OD2 3.48Å
274V95.6Very high94.4Very high9 Ų920.2 Ų20.26%0.05512%0.12CC..EExtended strand (participates in β ladder)trans-95.8117.2171.2-175.90000107.5T283 T284 S326 A452 A455V274-T283 HydrophobicContact CG1-CG2 3.5Å; V274-T284 CarbonylContact C-O 3.53Å; V274-T284 WeakPolarHBondContact CA-O 3.34Å; V274-S326 PolarHBondContact O-N 3.22Å; V274-S326 PolarHBondContact O-OG 3.47Å; V274-A452 HydrophobicContact CG1-CB 3.78Å; V274-A455 HydrophobicContact CG2-CB 3.68Å
275V96.1Very high94.5Very high0 Ų021.7 Ų21.70%013%0.127CC..EExtended strand (participates in β ladder)trans-114144.4-175.7-61.40000111.3L243 L269 M273 F277 T283 T284 V286 G324L243-V275 HydrophobicContact CD2-CG1 4.13Å; L269-V275 HydrophobicContact CD1-CG1 4.12Å; M273-V275 HydrophobicContact CB-CG1 4.44Å; V275-F277 HydrophobicContact CG2-CE2 4.08Å; V275-F277 HydrophobicContact CG2-CZ 4.23Å; V275-T283 CarbonylContact O-C 3.57Å; V275-T283 WeakPolarHBondContact O-CA 3.48Å; V275-T284 HydrophobicContact CG2-CG2 4.15Å; V275-T284 PolarHBondContact N-O 2.81Å; V275-T284 PolarHBondContact O-N 2.8Å; V275-V286 HydrophobicContact CB-CG2 4.29Å; V275-V286 HydrophobicContact CG1-CG2 3.66Å; V275-V286 HydrophobicContact CG2-CG2 3.61Å; V275-G324 CarbonylContact C-O 3.5Å; V275-G324 WeakPolarHBondContact CA-O 3.37Å; V275-G324 WeakPolarHBondContact CB-O 3.39Å
276T96.1Very high94.8Very high10 Ų1020.4 Ų20.46%0.06112%0.121CC..EExtended strand (participates in β ladder)trans-107.3132.9172.4-57.90000109.7V282 T283 A323 G324 S326T276-V282 CarbonylContact C-O 3.59Å; T276-V282 WeakPolarHBondContact CA-O 3.36Å; T276-T283 PolarHBondContact OG1-OG1 2.77Å; T276-A323 WeakPolarHBondContact O-CA 3.46Å; T276-G324 PolarHBondContact N-O 3.04Å; T276-G324 PolarHBondContact O-N 3.19Å; T276-S326 PolarHBondContact N-OG 2.95Å; T276-S326 WeakPolarHBondContact OG1-CB 3.24Å; T276-S326 PolarHBondContact OG1-OG 2.6Å
277F96.7Very high94.9Very high0 Ų023.9 Ų23.90%014%0.136CC..EExtended strand (participates in β ladder)trans-97.4119.3173.2-65.1-83000110.6L247 P260 V275 V280 N281 V282 T284 F307 V309 V317 V322 A323L247-F277 HydrophobicContact CD1-CD1 3.96Å; L247-F277 HydrophobicContact CD1-CE1 3.9Å; L247-F277 HydrophobicContact CD2-CE1 4.26Å; P260-F277 HydrophobicContact CG-CE1 4.29Å; P260-F277 HydrophobicContact CG-CZ 4.17Å; V275-F277 HydrophobicContact CG2-CE2 4.08Å; V275-F277 HydrophobicContact CG2-CZ 4.23Å; F277-V280 HydrophobicContact CB-CG2 3.77Å; F277-V280 WeakPolarHBondContact O-CG2 3.44Å; F277-N281 VanDerWaalsContact O-CA 3.27Å; F277-N281 WeakPolarHBondContact O-CA 3.38Å; F277-N281 PolarHBondContact O-N 2.82Å; F277-V282 WeakPolarHBondContact CD2-O 3.28Å; F277-V282 PolarHBondContact N-O 2.81Å; F277-V282 PolarHBondContact O-N 2.9Å; F277-T284 HydrophobicContact CE2-CG2 3.73Å; F277-F307 HydrophobicContact CE1-CE2 4.19Å; F277-F307 HydrophobicContact CE1-CZ 4.04Å; F277-F307 AromaticContact CZ-CE2 3.86Å; F277-F307 HydrophobicContact CZ-CE2 3.86Å; F277-F307 HydrophobicContact CZ-CZ 4.18Å; F277-V309 HydrophobicContact CE2-CG1 4.31Å; F277-V309 HydrophobicContact CZ-CG1 4.05Å; F277-V317 HydrophobicContact CB-CG1 3.97Å; F277-V317 HydrophobicContact CD1-CG1 3.95Å; F277-V317 HydrophobicContact CD2-CG1 3.94Å; F277-V317 HydrophobicContact CE1-CG1 4.4Å; F277-V317 HydrophobicContact CE2-CG1 4.39Å; F277-V317 HydrophobicContact CG-CG1 3.69Å; F277-V322 CarbonylContact C-O 3.53Å; F277-V322 WeakPolarHBondContact CA-O 3.21Å; F277-A323 HydrophobicContact CD1-CB 3.78Å; F277-A323 HydrophobicContact CE1-CB 3.65Å; F277-A323 HydrophobicContact CZ-CB 4.47Å
278A96.2Very high94.9Very high2 Ų225.3 Ų25.32%0.01715%0.146CC..EExtended strand (participates in β ladder)trans-100.4150.8171.500000111.2V280 N321 V322 P331 C408A278-V280 VanDerWaalsContact C-N 3.34Å; A278-N321 CarbonylContact O-C 3.58Å; A278-N321 WeakPolarHBondContact O-CA 3.21Å; A278-N321 VanDerWaalsContact O-CB 3.26Å; A278-N321 WeakPolarHBondContact O-CB 3.41Å; A278-V322 PolarHBondContact N-O 3.38Å; A278-V322 PolarHBondContact O-N 2.78Å; A278-P331 HydrophobicContact CB-CB 3.72Å; A278-P331 HydrophobicContact CB-CG 3.97Å; A278-P331 WeakPolarHBondContact CB-O 3.2Å; A278-C408 HydrophobicContact CB-CB 3.83Å
279P94.6Very high94.9Very high14 Ų1424 Ų249%0.09114%0.137CC..THydrogen-bonded Turncis-84.30.9-1.534.1-35.4000113.9N281 N321 E333 P406P279-N281 PolarHBondContact O-N 2.85Å; P279-N321 WeakPolarHBondContact CD-ND2 3.24Å; P279-E333 HydrophobicContact CB-CB 3.66Å; P279-E333 HydrophobicContact CB-CG 3.75Å; P279-P406 HydrophobicContact CB-CB 3.93Å; P279-P406 HydrophobicContact CG-CB 3.68Å; P279-P406 WeakPolarHBondContact CG-O 3.48Å
280V93.7Very high94.5Very high49 Ų4927.2 Ų27.230%0.29715%0.153SC..THydrogen-bonded Turntrans-70.5-13-174.1-62.80000114.4F277 A278 V282 V317F277-V280 HydrophobicContact CB-CG2 3.77Å; F277-V280 WeakPolarHBondContact O-CG2 3.44Å; A278-V280 VanDerWaalsContact C-N 3.34Å; V280-V282 HydrophobicContact CB-CG2 4.29Å; V280-V282 HydrophobicContact CG2-CB 4.25Å; V280-V282 HydrophobicContact CG2-CG2 3.92Å; V280-V282 PolarHBondContact O-N 2.78Å; V280-V317 HydrophobicContact CG2-CG1 4.29Å
281N92.3Very high93.7Very high46 Ų4625.6 Ų25.625%0.24615%0.147CC..THydrogen-bonded Turntrans53.147.6179.6-159.115.2000113.4F277 P279 G444 G446 K447F277-N281 VanDerWaalsContact O-CA 3.27Å; F277-N281 WeakPolarHBondContact O-CA 3.38Å; F277-N281 PolarHBondContact O-N 2.82Å; P279-N281 PolarHBondContact O-N 2.85Å; N281-G444 PolarHBondContact ND2-O 2.93Å; N281-G446 WeakPolarHBondContact ND2-CA 3.11Å; N281-G446 PolarHBondContact ND2-N 3.17Å; N281-G446 CarbonylContact O-C 3.31Å; N281-G446 WeakPolarHBondContact O-CA 3.27Å; N281-K447 PolarHBondContact O-N 2.74Å; N281-K447 VanDerWaalsContact O-N 3.07Å
282V93.3Very high92.6Very high8 Ų829.8 Ų29.85%0.04816%0.162CC..EExtended strand (participates in β ladder)trans-101.9128.8175.4176.70000108.9T276 F277 V280 V312 K447T276-V282 CarbonylContact C-O 3.59Å; T276-V282 WeakPolarHBondContact CA-O 3.36Å; F277-V282 WeakPolarHBondContact CD2-O 3.28Å; F277-V282 PolarHBondContact N-O 2.81Å; F277-V282 PolarHBondContact O-N 2.9Å; V280-V282 HydrophobicContact CB-CG2 4.29Å; V280-V282 HydrophobicContact CG2-CB 4.25Å; V280-V282 HydrophobicContact CG2-CG2 3.92Å; V280-V282 PolarHBondContact O-N 2.78Å; V282-V312 HydrophobicContact CG1-CG1 4.43Å; V282-V312 HydrophobicContact CG1-CG2 3.78Å; V282-K447 WeakPolarHBondContact CA-O 3.35Å; V282-K447 HydrophobicContact CG2-CB 4.42Å
283T94.3Very high91.6Very high10 Ų1036.5 Ų36.56%0.06118%0.182CC..EExtended strand (participates in β ladder)trans-114.7127.4-178.4-58.20000111.8V274 V275 T276 S326 K447 V448 T449 A452V274-T283 HydrophobicContact CG1-CG2 3.5Å; V275-T283 CarbonylContact O-C 3.57Å; V275-T283 WeakPolarHBondContact O-CA 3.48Å; T276-T283 PolarHBondContact OG1-OG1 2.77Å; T283-S326 VanDerWaalsContact CG2-OG 3.28Å; T283-S326 WeakPolarHBondContact CG2-OG 3.33Å; T283-K447 PolarHBondContact N-O 3.27Å; T283-V448 HydrophobicContact CG2-CG1 4.45Å; T283-T449 WeakPolarHBondContact O-CB 3.31Å; T283-T449 VanDerWaalsContact O-CG2 3.32Å; T283-T449 WeakPolarHBondContact O-CG2 3.48Å; T283-T449 PolarHBondContact O-N 3.05Å; T283-T449 PolarHBondContact O-OG1 3.3Å; T283-A452 HydrophobicContact CG2-CB 3.93Å
284T94.9Very high90.8Very high0 Ų041.7 Ų41.70%021%0.206CC..EExtended strand (participates in β ladder)trans-148.3165.7-178-163.40000113.8V274 V275 F277 V309 K310 V312 T449V274-T284 CarbonylContact C-O 3.53Å; V274-T284 WeakPolarHBondContact CA-O 3.34Å; V275-T284 HydrophobicContact CG2-CG2 4.15Å; V275-T284 PolarHBondContact N-O 2.81Å; V275-T284 PolarHBondContact O-N 2.8Å; F277-T284 HydrophobicContact CE2-CG2 3.73Å; T284-V309 HydrophobicContact CG2-CB 3.6Å; T284-V309 HydrophobicContact CG2-CG1 3.62Å; T284-V309 HydrophobicContact CG2-CG2 4.49Å; T284-K310 PolarHBondContact OG1-O 3.31Å; T284-V312 HydrophobicContact CG2-CG2 3.81Å; T284-T449 VanDerWaalsContact CA-OG1 3.31Å; T284-T449 WeakPolarHBondContact CA-OG1 3.22Å; T284-T449 PolarHBondContact OG1-OG1 3.27Å
285E94.2Very high90.5Very high31 Ų3145.3 Ų45.315%0.14524%0.237CC..EExtended strand (participates in β ladder)trans-92.1133.6175.3-167.2-160.715700109.7M273 K287 A455M273-E285 WeakPolarHBondContact O-CA 3.38Å; E285-K287 IonicContact OE1-NZ 2.65Å; E285-K287 PolarHBondContact OE1-NZ 2.93Å; E285-K287 WeakPolarHBondContact OE2-CE 3.38Å; E285-K287 IonicContact OE2-NZ 2.79Å; E285-K287 PolarHBondContact OE2-NZ 3.17Å; E285-A455 HydrophobicContact CG-CB 4.17Å
286V95.9Very high90Very high0 Ų047.2 Ų47.20%025%0.247CC..EExtended strand (participates in β ladder)trans-80.4129.3172.7-1790000108.9L269 G272 M273 V275 V289 F307 N308 V309L269-V286 HydrophobicContact CD1-CG2 4.13Å; G272-V286 WeakPolarHBondContact CA-O 3.43Å; G272-V286 PolarHBondContact N-O 2.86Å; M273-V286 PolarHBondContact O-N 2.89Å; V275-V286 HydrophobicContact CB-CG2 4.29Å; V275-V286 HydrophobicContact CG1-CG2 3.66Å; V275-V286 HydrophobicContact CG2-CG2 3.61Å; V286-V289 HydrophobicContact CG1-CG2 3.84Å; V286-F307 HydrophobicContact CG1-CB 4.02Å; V286-F307 HydrophobicContact CG1-CD2 4.15Å; V286-F307 HydrophobicContact CG2-CD2 4.06Å; V286-F307 HydrophobicContact CG2-CE2 4.47Å; V286-N308 CarbonylContact C-O 3.57Å; V286-N308 WeakPolarHBondContact CA-O 3.45Å; V286-V309 HydrophobicContact CG2-CG1 4.37Å
287K94.7Very high89.8Confident74 Ų7451.6 Ų51.632%0.32228%0.278SS..EExtended strand (participates in β ladder)trans-97.3-43.5-176.9-76.3-70.7163.1-154.40114.3E285 N308 K310E285-K287 IonicContact OE1-NZ 2.65Å; E285-K287 PolarHBondContact OE1-NZ 2.93Å; E285-K287 WeakPolarHBondContact OE2-CE 3.38Å; E285-K287 IonicContact OE2-NZ 2.79Å; E285-K287 PolarHBondContact OE2-NZ 3.17Å; K287-N308 HydrophobicContact CB-CB 4.24Å; K287-N308 PolarHBondContact N-O 2.63Å; K287-K310 HydrophobicContact CD-CD 4.08Å; K287-K310 HydrophobicContact CD-CG 4.36Å; K287-K310 VanDerWaalsContact CE-CD 3.45Å; K287-K310 HydrophobicContact CG-CD 3.94Å; K287-K310 HydrophobicContact CG-CG 3.67Å
288S94.1Very high89.6Confident32 Ų3255.1 Ų55.122%0.22429%0.294CS..EExtended strand (participates in β ladder)trans-144.1154.5176.858.50000108.2F307 N308S288-F307 CarbonylContact O-C 3.57Å; S288-F307 VanDerWaalsContact O-CA 3.25Å; S288-F307 WeakPolarHBondContact O-CA 3.43Å; S288-F307 WeakPolarHBondContact O-CB 3.42Å; S288-N308 PolarHBondContact O-N 3.36Å; S288-N308 WeakPolarHBondContact OG-CB 3.16Å
289V93.9Very high89.2Confident1 Ų155 Ų551%0.00629%0.294CS..EExtended strand (participates in β ladder)trans-126.7132.8172.6-176.40000106L269 P271 V286 L296 A299 V305 F307L269-V289 HydrophobicContact CD2-CG1 4.07Å; L269-V289 HydrophobicContact CD2-CG2 3.85Å; L269-V289 HydrophobicContact CG-CG2 3.95Å; P271-V289 HydrophobicContact CG-CB 4.46Å; P271-V289 HydrophobicContact CG-CG2 4.11Å; V286-V289 HydrophobicContact CG1-CG2 3.84Å; V289-L296 HydrophobicContact CG1-CB 4.47Å; V289-L296 PolarHBondContact O-N 3.45Å; V289-A299 HydrophobicContact CG1-CB 3.91Å; V289-V305 HydrophobicContact CG1-CB 3.87Å; V289-V305 HydrophobicContact CG1-CG1 4.12Å; V289-V305 HydrophobicContact CG1-CG2 4.08Å; V289-F307 HydrophobicContact CG2-CB 4.08Å
290E86.9Confident89.1Confident69 Ų6957.2 Ų57.232%0.32230%0.304SS..EExtended strand (participates in β ladder)trans-133.9141.8-175.3-69.2172.3-147.600110.4E294 V305 G306E290-E294 CarbonylContact C-O 3.5Å; E290-E294 WeakPolarHBondContact CA-O 3.44Å; E290-V305 WeakPolarHBondContact O-CA 3.4Å; E290-G306 PolarHBondContact N-O 2.8Å; E290-G306 PolarHBondContact O-N 3.23Å
291M80.8Confident88.8Confident55 Ų5555.1 Ų55.127%0.27129%0.291SS..EExtended strand (participates in β ladder)trans-132.1128.4171.1-176.6172.568.400108.1H293 E294 L296 D303 N304 V305M291-H293 PolarHBondContact O-N 2.9Å; M291-H293 VanDerWaalsContact O-N 3.14Å; M291-E294 PolarHBondContact N-O 3.22Å; M291-E294 PolarHBondContact O-N 3.17Å; M291-L296 HydrophobicContact CB-CD1 3.55Å; M291-L296 HydrophobicContact CB-CG 4.14Å; M291-L296 HydrophobicContact CE-CD1 4.42Å; M291-D303 HydrophobicContact SD-CB 4.18Å; M291-N304 WeakPolarHBondContact CG-O 3.41Å; M291-V305 HydrophobicContact CB-CG1 4.24Å
292H71.9Confident88.2Confident138 Ų13853.5 Ų53.564%0.63929%0.286SS*.THydrogen-bonded Turntrans52.135.5-178.7-61.1-57.5000114.7E294H292-E294 VanDerWaalsContact C-N 3.25Å; H292-E294 PolarHBondContact O-N 2.81Å
293H72.8Confident87.7Confident182 Ų18255 Ų5584%0.84329%0.294SS*.THydrogen-bonded Turntrans69.112.8-176.5-50.3-69.2000115.8M291M291-H293 PolarHBondContact O-N 2.9Å; M291-H293 VanDerWaalsContact O-N 3.14Å
294E77.8Confident87Confident145 Ų14558 Ų5868%0.67831%0.309SS*.EExtended strand (participates in β ladder)trans-107.2137.4171.5-64.1-174.6172.100110.3E290 M291 H292E290-E294 CarbonylContact C-O 3.5Å; E290-E294 WeakPolarHBondContact CA-O 3.44Å; M291-E294 PolarHBondContact N-O 3.22Å; M291-E294 PolarHBondContact O-N 3.17Å; H292-E294 VanDerWaalsContact C-N 3.25Å; H292-E294 PolarHBondContact O-N 2.81Å
295A88.4Confident86.7Confident85 Ų8558 Ų5870%0.70231%0.309SS*.EExtended strand (participates in β ladder)trans-74.3133.7178.700000110.8
296L85.8Confident86.6Confident40 Ų4057.2 Ų57.221%0.20931%0.31CS..  trans-107139.1178.3-64.3-179.3000111.1V289 M291 E298 A299 V305V289-L296 HydrophobicContact CG1-CB 4.47Å; V289-L296 PolarHBondContact O-N 3.45Å; M291-L296 HydrophobicContact CB-CD1 3.55Å; M291-L296 HydrophobicContact CB-CG 4.14Å; M291-L296 HydrophobicContact CE-CD1 4.42Å; L296-E298 VanDerWaalsContact C-N 3.35Å; L296-A299 HydrophobicContact CD1-CB 4.32Å; L296-V305 HydrophobicContact CD1-CG1 3.97Å
297S92.3Very high86.6Confident102 Ų10257.3 Ų57.371%0.71331%0.31SS*.SBendtrans-72.2-32.7169.752.20000112P271P271-S297 WeakPolarHBondContact CD-O 3.42Å
298E92.5Very high86.6Confident74 Ų7454.8 Ų54.835%0.34630%0.3SS..  trans-155.1150.9173.660.1-176.2-154.100109.9V268 L269 K270 L296V268-E298 HydrophobicContact CG1-CB 3.85Å; L269-E298 CarbonylContact O-C 3.58Å; L269-E298 WeakPolarHBondContact O-CA 2.97Å; K270-E298 HydrophobicContact CD-CB 4.06Å; K270-E298 WeakPolarHBondContact CE-OE2 3.46Å; K270-E298 HydrophobicContact CG-CB 3.8Å; K270-E298 IonicContact NZ-OE2 2.69Å; K270-E298 PolarHBondContact NZ-OE2 3.36Å; L296-E298 VanDerWaalsContact C-N 3.35Å
299A89Confident86.6Confident0 Ų053.3 Ų53.30%029%0.29CS..BIsolated β-bridgetrans-115.4130.417300000109.5V264 V268 L269 V289 L296 D303 V305V264-A299 HydrophobicContact CG2-CB 4.06Å; V268-A299 WeakPolarHBondContact CA-O 3.37Å; V268-A299 WeakPolarHBondContact CG1-O 3.47Å; L269-A299 HydrophobicContact CB-CB 4.29Å; L269-A299 PolarHBondContact N-O 2.78Å; L269-A299 PolarHBondContact O-N 3.5Å; V289-A299 HydrophobicContact CG1-CB 3.91Å; L296-A299 HydrophobicContact CD1-CB 4.32Å; A299-D303 HydrophobicContact CB-CB 4.41Å; A299-V305 HydrophobicContact CB-CB 4.48Å; A299-V305 HydrophobicContact CB-CG1 3.66Å; A299-V305 HydrophobicContact CB-CG2 4.25Å
300L90.8Very high86.2Confident61 Ų6158 Ų5832%0.31931%0.31SS..  trans-102163.7-173.3-60.5178.1000110.7T239 V264 V268 G302 D303T239-L300 HydrophobicContact CG2-CD2 4.38Å; V264-L300 WeakPolarHBondContact CB-O 3.49Å; V268-L300 HydrophobicContact CG1-CD2 4.13Å; V268-L300 HydrophobicContact CG2-CD2 3.85Å; L300-G302 PolarHBondContact O-N 2.84Å; L300-D303 PolarHBondContact N-OD2 3.22Å; L300-D303 WeakPolarHBondContact O-CB 3.37Å; L300-D303 PolarHBondContact O-N 3.24Å; L300-D303 VanDerWaalsContact O-N 3.09Å
301P88.7Confident86.2Confident4 Ų459.5 Ų59.53%0.02632%0.321CS..THydrogen-bonded Turntrans-54.8125.5175.6-24.934.3000111.4R237 P238 T239 V264 G267R237-P301 HydrophobicContact CB-CB 4.22Å; R237-P301 HydrophobicContact CB-CG 4.4Å; R237-P301 WeakPolarHBondContact CD-O 3.49Å; R237-P301 PolarHBondContact NH1-O 3.14Å; P238-P301 HydrophobicContact CG-CB 4.27Å; P238-P301 HydrophobicContact CG-CG 4.38Å; T239-P301 HydrophobicContact CG2-CG 4.05Å; V264-P301 CarbonylContact O-C 3.57Å; V264-P301 WeakPolarHBondContact O-CA 3.43Å; G267-P301 WeakPolarHBondContact O-CD 3.47Å; G267-P301 VanDerWaalsContact O-CG 3.26Å; G267-P301 WeakPolarHBondContact O-CG 3.42Å
302G79.6Confident86.7Confident13 Ų1357.3 Ų57.313%0.13431%0.31CS..THydrogen-bonded Turntrans109.8-22.4-176.600000114.7R263 V264 L300R263-G302 PolarHBondContact NE-O 2.79Å; V264-G302 PolarHBondContact O-N 3.04Å; L300-G302 PolarHBondContact O-N 2.84Å
303D82Confident87.6Confident39 Ų3953.1 Ų53.121%0.20930%0.297CS..  trans-73.9134.2-177.9-61.9-19.4000110.7R263 V264 M291 A299 L300 V305R263-D303 WeakPolarHBondContact CA-O 3.41Å; V264-D303 PolarHBondContact N-O 3.48Å; M291-D303 HydrophobicContact SD-CB 4.18Å; A299-D303 HydrophobicContact CB-CB 4.41Å; L300-D303 PolarHBondContact N-OD2 3.22Å; L300-D303 WeakPolarHBondContact O-CB 3.37Å; L300-D303 PolarHBondContact O-N 3.24Å; L300-D303 VanDerWaalsContact O-N 3.09Å; D303-V305 HydrophobicContact CB-CG1 3.83Å
304N80.7Confident88.4Confident72 Ų7246.8 Ų46.839%0.38527%0.27SS..EExtended strand (participates in β ladder)trans-94.2108171.1-72.9-72000108.3R263 M291R263-N304 WeakPolarHBondContact CB-OD1 3.38Å; M291-N304 WeakPolarHBondContact CG-O 3.41Å
305V87.2Confident89Confident1 Ų149 Ų491%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-125.2145.9-169.9-59.80000112.2L245 V261 G262 V264 L269 V289 E290 M291 L296 A299 D303L245-V305 HydrophobicContact CD1-CG2 4.14Å; V261-V305 WeakPolarHBondContact CA-O 3.36Å; G262-V305 PolarHBondContact N-O 2.86Å; G262-V305 PolarHBondContact O-N 2.61Å; V264-V305 HydrophobicContact CG2-CG2 4.12Å; L269-V305 HydrophobicContact CD2-CG2 4.09Å; V289-V305 HydrophobicContact CG1-CB 3.87Å; V289-V305 HydrophobicContact CG1-CG1 4.12Å; V289-V305 HydrophobicContact CG1-CG2 4.08Å; E290-V305 WeakPolarHBondContact O-CA 3.4Å; M291-V305 HydrophobicContact CB-CG1 4.24Å; L296-V305 HydrophobicContact CD1-CG1 3.97Å; A299-V305 HydrophobicContact CB-CB 4.48Å; A299-V305 HydrophobicContact CB-CG1 3.66Å; A299-V305 HydrophobicContact CB-CG2 4.25Å; D303-V305 HydrophobicContact CB-CG1 3.83Å
306G93Very high89.2Confident15 Ų1547.3 Ų47.316%0.15526%0.257CS..EExtended strand (participates in β ladder)trans-97.5137.6160.300000109.2P260 E290P260-G306 WeakPolarHBondContact O-CA 3.48Å; E290-G306 PolarHBondContact N-O 2.8Å; E290-G306 PolarHBondContact O-N 3.23Å
307F96Very high89.6Confident1 Ų145.5 Ų45.50%0.00425%0.247CC..EExtended strand (participates in β ladder)trans-134.5134.9178.860.7-82.8000111.9L245 L247 V259 P260 L269 F277 V286 S288 V289 V309 A323L245-F307 HydrophobicContact CD1-CD1 4.18Å; L245-F307 HydrophobicContact CD1-CE1 3.74Å; L245-F307 HydrophobicContact CD1-CZ 4.42Å; L245-F307 HydrophobicContact CD2-CE1 3.93Å; L245-F307 HydrophobicContact CG-CE1 4.5Å; L247-F307 HydrophobicContact CD2-CE1 4.16Å; L247-F307 HydrophobicContact CD2-CZ 4.02Å; V259-F307 WeakPolarHBondContact CA-O 3.49Å; P260-F307 HydrophobicContact CB-CE1 3.91Å; P260-F307 HydrophobicContact CB-CE2 4.32Å; P260-F307 HydrophobicContact CB-CZ 3.78Å; P260-F307 WeakPolarHBondContact CD-O 3.18Å; P260-F307 HydrophobicContact CG-CE2 4.21Å; P260-F307 HydrophobicContact CG-CZ 4.14Å; P260-F307 WeakPolarHBondContact O-CD1 3.29Å; P260-F307 PolarHBondContact O-N 3.24Å; L269-F307 HydrophobicContact CD2-CB 4.02Å; L269-F307 HydrophobicContact CD2-CD1 3.94Å; L269-F307 HydrophobicContact CD2-CD2 4.5Å; L269-F307 HydrophobicContact CD2-CG 3.92Å; F277-F307 HydrophobicContact CE1-CE2 4.19Å; F277-F307 HydrophobicContact CE1-CZ 4.04Å; F277-F307 AromaticContact CZ-CE2 3.86Å; F277-F307 HydrophobicContact CZ-CE2 3.86Å; F277-F307 HydrophobicContact CZ-CZ 4.18Å; V286-F307 HydrophobicContact CG1-CB 4.02Å; V286-F307 HydrophobicContact CG1-CD2 4.15Å; V286-F307 HydrophobicContact CG2-CD2 4.06Å; V286-F307 HydrophobicContact CG2-CE2 4.47Å; S288-F307 CarbonylContact O-C 3.57Å; S288-F307 VanDerWaalsContact O-CA 3.25Å; S288-F307 WeakPolarHBondContact O-CA 3.43Å; S288-F307 WeakPolarHBondContact O-CB 3.42Å; V289-F307 HydrophobicContact CG2-CB 4.08Å; F307-V309 HydrophobicContact CD2-CG1 3.76Å; F307-V309 HydrophobicContact CE2-CG1 3.78Å; F307-A323 HydrophobicContact CZ-CB 4.15Å
308N95Very high89.6Confident21 Ų2146.8 Ų46.811%0.11224%0.237CC..EExtended strand (participates in β ladder)trans-79.6129.7-179.7-179.7-27.3000110.3I256 V286 K287 S288I256-N308 HydrophobicContact CG2-CB 4.25Å; I256-N308 WeakPolarHBondContact CG2-ND2 3.47Å; I256-N308 PolarHBondContact O-ND2 2.86Å; V286-N308 CarbonylContact C-O 3.57Å; V286-N308 WeakPolarHBondContact CA-O 3.45Å; K287-N308 HydrophobicContact CB-CB 4.24Å; K287-N308 PolarHBondContact N-O 2.63Å; S288-N308 PolarHBondContact O-N 3.36Å; S288-N308 WeakPolarHBondContact OG-CB 3.16Å
309V93.6Very high89.5Confident2 Ų250 Ų501%0.01225%0.246CC..EExtended strand (participates in β ladder)trans-120.1137.6171.5-68.40000112.6T258 P260 F277 T284 V286 F307 V312T258-V309 HydrophobicContact CG2-CG2 4.05Å; T258-V309 PolarHBondContact O-N 3Å; T258-V309 VanDerWaalsContact O-N 3.11Å; P260-V309 HydrophobicContact CG-CG2 4.09Å; F277-V309 HydrophobicContact CE2-CG1 4.31Å; F277-V309 HydrophobicContact CZ-CG1 4.05Å; T284-V309 HydrophobicContact CG2-CB 3.6Å; T284-V309 HydrophobicContact CG2-CG1 3.62Å; T284-V309 HydrophobicContact CG2-CG2 4.49Å; V286-V309 HydrophobicContact CG2-CG1 4.37Å; F307-V309 HydrophobicContact CD2-CG1 3.76Å; F307-V309 HydrophobicContact CE2-CG1 3.78Å; V309-V312 HydrophobicContact CG2-CB 4.11Å
310K85.9Confident89.5Confident99 Ų9950.3 Ų50.343%0.4325%0.249SC..SBendtrans-86.7149.9178.6-72.2-161.9176.2-177.30112.6T284 K287 V312T284-K310 PolarHBondContact OG1-O 3.31Å; K287-K310 HydrophobicContact CD-CD 4.08Å; K287-K310 HydrophobicContact CD-CG 4.36Å; K287-K310 VanDerWaalsContact CE-CD 3.45Å; K287-K310 HydrophobicContact CG-CD 3.94Å; K287-K310 HydrophobicContact CG-CG 3.67Å; K310-V312 PolarHBondContact O-N 3.06Å
311N86.8Confident89.8Confident101 Ų10147.5 Ų47.554%0.5423%0.234SC..SBendtrans5723.4168.9-53.9-49.4000114.9T449 S451N311-T449 HydrophobicContact CB-CG2 3.95Å; N311-S451 PolarHBondContact ND2-OG 3.23Å
312V91.2Very high90.2Very high8 Ų847.3 Ų47.35%0.04823%0.233CC..  trans-116.3129.2172.9178.10000107.5T258 V282 T284 V309 K310 D316 V317 T449T258-V312 VanDerWaalsContact CB-O 3.29Å; T258-V312 WeakPolarHBondContact CB-O 3.26Å; T258-V312 PolarHBondContact OG1-O 2.61Å; V282-V312 HydrophobicContact CG1-CG1 4.43Å; V282-V312 HydrophobicContact CG1-CG2 3.78Å; T284-V312 HydrophobicContact CG2-CG2 3.81Å; V309-V312 HydrophobicContact CG2-CB 4.11Å; K310-V312 PolarHBondContact O-N 3.06Å; V312-D316 HydrophobicContact CG1-CB 3.94Å; V312-V317 HydrophobicContact CG1-CG1 4Å; V312-V317 HydrophobicContact CG1-CG2 3.99Å; V312-T449 HydrophobicContact CG2-CG2 3.99Å
313S90.9Very high91.1Very high51 Ų5146.8 Ų46.836%0.35723%0.227SC..  trans-80.8150.3174.6-179.20000110.4K315 D316S313-K315 PolarHBondContact O-N 2.97Å; S313-K315 PolarHBondContact OG-N 3.18Å; S313-D316 PolarHBondContact N-OD2 2.81Å; S313-D316 VanDerWaalsContact N-OD2 3.12Å; S313-D316 WeakPolarHBondContact O-CB 3.36Å; S313-D316 PolarHBondContact O-N 3.29Å
314V89.8Confident91.8Very high48 Ų4844.9 Ų44.929%0.29122%0.217SC..THydrogen-bonded Turntrans-58.3-15.6168.2-66.80000113.7V250 K252 T258V250-V314 HydrophobicContact CG1-CB 4.33Å; V250-V314 HydrophobicContact CG1-CG1 4.02Å; K252-V314 HydrophobicContact CB-CG1 3.71Å; K252-V314 HydrophobicContact CG-CG1 4.47Å; T258-V314 HydrophobicContact CG2-CG1 3.93Å
315K90.9Very high92.4Very high192 Ų19242.9 Ų42.984%0.83521%0.206SC*.THydrogen-bonded Turntrans-84.1-19.4173.3-63.1-177.3178.5-177.80113.3S313S313-K315 PolarHBondContact O-N 2.97Å; S313-K315 PolarHBondContact OG-N 3.18Å
316D91.3Very high92.7Very high49 Ų4944 Ų4426%0.26221%0.214SC..THydrogen-bonded Turntrans-82.4-23.5-175.6-64.1-12.6000111.7V312 S313 K447V312-D316 HydrophobicContact CG1-CB 3.94Å; S313-D316 PolarHBondContact N-OD2 2.81Å; S313-D316 VanDerWaalsContact N-OD2 3.12Å; S313-D316 WeakPolarHBondContact O-CB 3.36Å; S313-D316 PolarHBondContact O-N 3.29Å; D316-K447 IonicContact OD2-NZ 2.64Å; D316-K447 PolarHBondContact OD2-NZ 3.43Å
317V93.6Very high92.6Very high2 Ų248.8 Ų48.81%0.01223%0.231CC..  trans-131.8148.5-179.4-69.40000109.9L247 V250 T258 F277 V280 V312 N321L247-V317 HydrophobicContact CD1-CB 4.23Å; V250-V317 HydrophobicContact CG1-CG2 3.87Å; V250-V317 HydrophobicContact CG2-CG2 4.07Å; T258-V317 HydrophobicContact CG2-CG2 4.47Å; F277-V317 HydrophobicContact CB-CG1 3.97Å; F277-V317 HydrophobicContact CD1-CG1 3.95Å; F277-V317 HydrophobicContact CD2-CG1 3.94Å; F277-V317 HydrophobicContact CE1-CG1 4.4Å; F277-V317 HydrophobicContact CE2-CG1 4.39Å; F277-V317 HydrophobicContact CG-CG1 3.69Å; V280-V317 HydrophobicContact CG2-CG1 4.29Å; V312-V317 HydrophobicContact CG1-CG1 4Å; V312-V317 HydrophobicContact CG1-CG2 3.99Å; V317-N321 WeakPolarHBondContact CA-OD1 3.33Å
318R93.1Very high92.4Very high129 Ų12952.6 Ų52.649%0.48725%0.251SS..  trans-146.6168.5-178.161.2174.5-176.4-104.3-0.5111.9G320 N321R318-G320 PolarHBondContact O-N 3.1Å; R318-N321 PolarHBondContact N-OD1 3.36Å; R318-N321 VanDerWaalsContact O-CB 3.27Å; R318-N321 WeakPolarHBondContact O-CB 3.4Å; R318-N321 VanDerWaalsContact O-CG 3.24Å; R318-N321 PolarHBondContact O-N 3.23Å; R318-N321 VanDerWaalsContact O-N 3.08Å; R318-N321 PolarHBondContact O-OD1 2.86Å
319R90.1Very high92.3Very high142 Ų14254.5 Ų54.554%0.53626%0.261SS..THydrogen-bonded Turntrans-47.3137.2167178.6173.7177.8157.71.9111.5L247 Q248 N321L247-R319 WeakPolarHBondContact O-CA 3.42Å; Q248-R319 VanDerWaalsContact O-CB 3.28Å; Q248-R319 WeakPolarHBondContact O-CB 3.42Å; Q248-R319 WeakPolarHBondContact O-CD 3.33Å; Q248-R319 WeakPolarHBondContact O-CG 3.09Å; R319-N321 VanDerWaalsContact C-N 3.3Å
320G90.2Very high92.3Very high6 Ų656.4 Ų56.46%0.06227%0.274CS..THydrogen-bonded Turntrans85.8-7.1-176.900000114.7L247 R318 T362L247-G320 PolarHBondContact O-N 3.33Å; R318-G320 PolarHBondContact O-N 3.1Å; G320-T362 VanDerWaalsContact CA-OG1 3.27Å; G320-T362 WeakPolarHBondContact CA-OG1 3.38Å; G320-T362 PolarHBondContact N-OG1 3.5Å
321N96.4Very high92.8Very high3 Ų351.9 Ų51.92%0.01626%0.255CS..  trans-75.1156.4166-63.2167.7000110L247 A278 P279 V317 R318 R319L247-N321 HydrophobicContact CD1-CB 4.06Å; L247-N321 HydrophobicContact CG-CB 4.41Å; L247-N321 WeakPolarHBondContact CG-O 3.33Å; L247-N321 PolarHBondContact N-O 3.31Å; A278-N321 CarbonylContact O-C 3.58Å; A278-N321 WeakPolarHBondContact O-CA 3.21Å; A278-N321 VanDerWaalsContact O-CB 3.26Å; A278-N321 WeakPolarHBondContact O-CB 3.41Å; P279-N321 WeakPolarHBondContact CD-ND2 3.24Å; V317-N321 WeakPolarHBondContact CA-OD1 3.33Å; R318-N321 PolarHBondContact N-OD1 3.36Å; R318-N321 VanDerWaalsContact O-CB 3.27Å; R318-N321 WeakPolarHBondContact O-CB 3.4Å; R318-N321 VanDerWaalsContact O-CG 3.24Å; R318-N321 PolarHBondContact O-N 3.23Å; R318-N321 VanDerWaalsContact O-N 3.08Å; R318-N321 PolarHBondContact O-OD1 2.86Å; R319-N321 VanDerWaalsContact C-N 3.3Å
322V97.4Very high93.2Very high0 Ų049.3 Ų49.30%024%0.24CC..EExtended strand (participates in β ladder)trans-120.6123.3-178.5179.50000108.3P246 F277 A278 P331 C408 L418P246-V322 HydrophobicContact CB-CG2 4.49Å; F277-V322 CarbonylContact C-O 3.53Å; F277-V322 WeakPolarHBondContact CA-O 3.21Å; A278-V322 PolarHBondContact N-O 3.38Å; A278-V322 PolarHBondContact O-N 2.78Å; V322-P331 HydrophobicContact CB-CB 4.33Å; V322-P331 HydrophobicContact CG1-CB 3.97Å; V322-P331 HydrophobicContact CG1-CG 4.2Å; V322-P331 WeakPolarHBondContact O-CG 3.41Å; V322-C408 HydrophobicContact CB-CB 4.26Å; V322-C408 HydrophobicContact CG2-CB 3.94Å; V322-L418 HydrophobicContact CB-CD2 4.45Å; V322-L418 HydrophobicContact CG1-CD2 3.7Å; V322-L418 HydrophobicContact CG2-CD2 3.92Å
323A97.3Very high93.4Very high1 Ų151.1 Ų51.11%0.00825%0.248CC..EExtended strand (participates in β ladder)trans-89141.9169.700000110.2L245 T276 F277 F307L245-A323 HydrophobicContact CB-CB 4.32Å; L245-A323 PolarHBondContact N-O 3.49Å; L245-A323 PolarHBondContact O-N 3Å; T276-A323 WeakPolarHBondContact O-CA 3.46Å; F277-A323 HydrophobicContact CD1-CB 3.78Å; F277-A323 HydrophobicContact CE1-CB 3.65Å; F277-A323 HydrophobicContact CZ-CB 4.47Å; F307-A323 HydrophobicContact CZ-CB 4.15Å
324G97Very high93.7Very high0 Ų048.8 Ų48.80%023%0.232CC..EExtended strand (participates in β ladder)trans-153.9169.7170.800000111.6L243 V275 T276 S326L243-G324 WeakPolarHBondContact O-CA 3.5Å; V275-G324 CarbonylContact C-O 3.5Å; V275-G324 WeakPolarHBondContact CA-O 3.37Å; V275-G324 WeakPolarHBondContact CB-O 3.39Å; T276-G324 PolarHBondContact N-O 3.04Å; T276-G324 PolarHBondContact O-N 3.19Å; G324-S326 PolarHBondContact O-N 3.41Å
325D94.6Very high94Very high30 Ų3048.6 Ų48.616%0.1624%0.235CC..EExtended strand (participates in β ladder)trans-68.9126.5-178.6-174.4-13.2000109.8L243 M273 K327 N328 P330L243-D325 HydrophobicContact CB-CB 4.25Å; M273-D325 HydrophobicContact CE-CB 3.89Å; M273-D325 WeakPolarHBondContact CE-OD2 3.48Å; D325-K327 PolarHBondContact O-N 2.87Å; D325-K327 PolarHBondContact OD1-N 2.78Å; D325-N328 HydrophobicContact CB-CB 4.34Å; D325-N328 PolarHBondContact O-N 3.36Å; D325-P330 WeakPolarHBondContact O-CA 3.44Å
326S92.8Very high94.2Very high25 Ų2540 Ų4018%0.17520%0.202CC..THydrogen-bonded Turntrans-63.6-20.7178.3-55.80000113.5V274 T276 T283 G324V274-S326 PolarHBondContact O-N 3.22Å; V274-S326 PolarHBondContact O-OG 3.47Å; T276-S326 PolarHBondContact N-OG 2.95Å; T276-S326 WeakPolarHBondContact OG1-CB 3.24Å; T276-S326 PolarHBondContact OG1-OG 2.6Å; T283-S326 VanDerWaalsContact CG2-OG 3.28Å; T283-S326 WeakPolarHBondContact CG2-OG 3.33Å; G324-S326 PolarHBondContact O-N 3.41Å
327K90.6Very high94.5Very high115 Ų11538.1 Ų38.150%0.519%0.191SC..THydrogen-bonded Turntrans-99.4-15-174.8-62.8-175.3178.4-1750113.8D325D325-K327 PolarHBondContact O-N 2.87Å; D325-K327 PolarHBondContact OD1-N 2.78Å
328N91.2Very high94.7Very high80 Ų8039.6 Ų39.643%0.42820%0.2SC..SBendtrans-134.897.5-174.5-173.115.5000109.1P242 D325P242-N328 WeakPolarHBondContact CB-O 3.32Å; D325-N328 HydrophobicContact CB-CB 4.34Å; D325-N328 PolarHBondContact O-N 3.36Å
329D93.4Very high94.8Very high61 Ų6133.5 Ų33.533%0.32618%0.177SC..SBendtrans41.271.4-176.8-178.842.4000113.2P242 R244 Y415 K440P242-D329 HydrophobicContact CB-CB 4.13Å; P242-D329 HydrophobicContact CG-CB 3.96Å; R244-D329 VanDerWaalsContact CZ-O 3.25Å; R244-D329 IonicContact CZ-OD2 3.98Å; R244-D329 PolarHBondContact NH1-O 3.08Å; R244-D329 PolarHBondContact NH2-O 3.37Å; R244-D329 IonicContact NH2-OD1 3.75Å; R244-D329 IonicContact NH2-OD2 3.63Å; R244-D329 PolarHBondContact NH2-OD2 3.45Å; D329-Y415 WeakPolarHBondContact OD2-CE2 3.19Å; D329-Y415 PolarHBondContact OD2-OH 3.38Å; D329-K440 IonicContact OD1-NZ 3.63Å
330P94.4Very high95Very high43 Ų4328.4 Ų28.428%0.27916%0.159SC..  trans-61.9143.3179.424.7-33000111.6D325D325-P330 WeakPolarHBondContact O-CA 3.44Å
331P95.9Very high95.1Very high4 Ų428.1 Ų28.13%0.02616%0.156CC..  trans-64148.6175.528.2-35.1000110.4A278 V322A278-P331 HydrophobicContact CB-CB 3.72Å; A278-P331 HydrophobicContact CB-CG 3.97Å; A278-P331 WeakPolarHBondContact CB-O 3.2Å; V322-P331 HydrophobicContact CB-CB 4.33Å; V322-P331 HydrophobicContact CG1-CB 3.97Å; V322-P331 HydrophobicContact CG1-CG 4.2Å; V322-P331 WeakPolarHBondContact O-CG 3.41Å
332M95.4Very high94.7Very high47 Ų4729.2 Ų29.223%0.23216%0.162CC..  trans-133162.8-175.7-64177.562.800111.9C408 K440 K441 A443M332-C408 PolarHBondContact O-SG 2.83Å; M332-K440 HydrophobicContact CB-CB 4.22Å; M332-K440 HydrophobicContact CB-CD 4.15Å; M332-K440 HydrophobicContact CB-CG 4.3Å; M332-K440 HydrophobicContact CE-CB 4.24Å; M332-K440 HydrophobicContact CG-CD 4.5Å; M332-K440 HydrophobicContact SD-CB 4.33Å; M332-K440 HydrophobicContact SD-CD 4.15Å; M332-K441 WeakPolarHBondContact CE-O 3.36Å; M332-A443 HydrophobicContact CE-CB 3.97Å
333E96.2Very high94.4Very high45 Ų4529.3 Ų29.321%0.2116%0.162CC..  trans-68134.8170.9-174.8-175169.200109.9P279 P406 M407 K441P279-E333 HydrophobicContact CB-CB 3.66Å; P279-E333 HydrophobicContact CB-CG 3.75Å; E333-P406 HydrophobicContact CG-CB 4.32Å; E333-M407 WeakPolarHBondContact CA-O 3.18Å; E333-K441 HydrophobicContact CB-CB 4.29Å; E333-K441 HydrophobicContact CB-CD 4.46Å; E333-K441 HydrophobicContact CG-CD 4.23Å; E333-K441 WeakPolarHBondContact O-CB 3.35Å; E333-K441 PolarHBondContact O-N 3.38Å; E333-K441 IonicContact OE1-NZ 2.72Å; E333-K441 PolarHBondContact OE1-NZ 3.19Å; E333-K441 VanDerWaalsContact OE1-NZ 3.08Å; E333-K441 VanDerWaalsContact OE2-CD 3.28Å; E333-K441 WeakPolarHBondContact OE2-CD 3.23Å; E333-K441 IonicContact OE2-NZ 3.47Å; E333-K441 PolarHBondContact OE2-NZ 3.47Å
334A96.2Very high93.7Very high3 Ų330.4 Ų30.43%0.02517%0.168CC..EExtended strand (participates in β ladder)trans-85.5120.6171.400000109.8M407 V409 V438A334-M407 PolarHBondContact N-O 3.32Å; A334-V409 HydrophobicContact CB-CG2 3.62Å; A334-V438 HydrophobicContact CB-CG1 3.6Å
335A95.1Very high92.6Very high43 Ų4333.6 Ų33.636%0.35519%0.185SC..EExtended strand (participates in β ladder)trans-73.4-38.8170.700000110.9D439 K441A335-D439 PolarHBondContact N-O 2.78Å; A335-K441 HydrophobicContact CB-CB 4.21Å
336G96.1Very high92Very high13 Ų1333.4 Ų33.413%0.13418%0.183CC..EExtended strand (participates in β ladder)trans-164169.7172.900000109.5M401 D439G336-M401 CarbonylContact C-O 3.6Å; G336-M401 VanDerWaalsContact CA-O 3.26Å; G336-M401 WeakPolarHBondContact CA-O 3.46Å; G336-D439 PolarHBondContact O-N 3.31Å
337F97.7Very high91.2Very high8 Ų837.9 Ų37.94%0.03521%0.212CC..EExtended strand (participates in β ladder)trans-151.8145.9176.457.8-91.9000111.7A339 L358 M401 P403 V409 F421 I435 A437 V438F337-A339 HydrophobicContact CD2-CB 4.17Å; F337-A339 HydrophobicContact CE2-CB 4.28Å; F337-L358 HydrophobicContact CE2-CD2 4.31Å; F337-L358 HydrophobicContact CZ-CD2 3.77Å; F337-M401 HydrophobicContact CD2-CB 4Å; F337-M401 HydrophobicContact CD2-CG 4.47Å; F337-M401 HydrophobicContact CE1-CB 4.19Å; F337-M401 HydrophobicContact CE2-CB 3.59Å; F337-M401 HydrophobicContact CE2-CG 3.99Å; F337-M401 HydrophobicContact CE2-SD 3.64Å; F337-M401 HydrophobicContact CG-CB 4.47Å; F337-M401 HydrophobicContact CZ-CB 3.69Å; F337-M401 HydrophobicContact CZ-CG 4.44Å; F337-M401 HydrophobicContact CZ-SD 4.15Å; F337-M401 PolarHBondContact N-O 2.78Å; F337-M401 PolarHBondContact O-N 3.15Å; F337-P403 HydrophobicContact CD1-CG 4.35Å; F337-P403 HydrophobicContact CE1-CG 3.98Å; F337-V409 HydrophobicContact CD1-CG2 3.81Å; F337-V409 HydrophobicContact CE1-CG2 4.24Å; F337-V409 HydrophobicContact CG-CG2 4.22Å; F337-F421 HydrophobicContact CE2-CE1 4.13Å; F337-F421 HydrophobicContact CE2-CZ 4.31Å; F337-I435 HydrophobicContact CB-CG2 4.16Å; F337-I435 HydrophobicContact CD2-CD1 4.04Å; F337-I435 HydrophobicContact CD2-CG1 3.92Å; F337-I435 HydrophobicContact CD2-CG2 4.36Å; F337-I435 HydrophobicContact CE2-CD1 4.19Å; F337-I435 HydrophobicContact CE2-CG1 4.18Å; F337-I435 HydrophobicContact CG-CD1 4.43Å; F337-A437 CarbonylContact C-O 3.43Å; F337-A437 WeakPolarHBondContact CA-O 3.13Å; F337-A437 VanDerWaalsContact CB-O 3.31Å; F337-A437 WeakPolarHBondContact CB-O 3.24Å; F337-V438 HydrophobicContact CB-CB 4.4Å; F337-V438 HydrophobicContact CB-CG1 4.44Å; F337-V438 HydrophobicContact CB-CG2 4.06Å
338T97.6Very high91Very high34 Ų3434.1 Ų34.121%0.20921%0.205CC..EExtended strand (participates in β ladder)trans-92.8127.4172.9-53.40000108.6I398 V399 D400 K436 A437T338-I398 HydrophobicContact CG2-CG2 3.46Å; T338-I398 VanDerWaalsContact CG2-CG2 3.46Å; T338-V399 WeakPolarHBondContact CA-O 3.25Å; T338-D400 VanDerWaalsContact CB-OD1 3.26Å; T338-D400 WeakPolarHBondContact CB-OD1 3.35Å; T338-D400 WeakPolarHBondContact CG2-OD1 3.09Å; T338-D400 PolarHBondContact OG1-OD1 2.86Å; T338-K436 PolarHBondContact O-N 3.34Å; T338-A437 PolarHBondContact N-O 3.01Å; T338-A437 PolarHBondContact O-N 2.79Å
339A96.1Very high91Very high0 Ų035.9 Ų35.90%021%0.211CC..EExtended strand (participates in β ladder)trans-130.4145.9-179.900000112.3F337 V341 I398 V399 M401 F421 V434F337-A339 HydrophobicContact CD2-CB 4.17Å; F337-A339 HydrophobicContact CE2-CB 4.28Å; A339-V341 HydrophobicContact CB-CG1 4.4Å; A339-I398 WeakPolarHBondContact O-CA 3.16Å; A339-V399 PolarHBondContact N-O 3.3Å; A339-V399 PolarHBondContact O-N 2.81Å; A339-M401 HydrophobicContact CB-SD 4.25Å; A339-F421 HydrophobicContact CB-CE1 3.5Å; A339-F421 VanDerWaalsContact CB-CE1 3.5Å; A339-F421 HydrophobicContact CB-CZ 3.46Å; A339-F421 VanDerWaalsContact CB-CZ 3.46Å; A339-V434 WeakPolarHBondContact CA-O 3.49Å
340Q92.4Very high91Very high35 Ų3533 Ų3316%0.16420%0.196CC..EExtended strand (participates in β ladder)trans-86.1118.9163.6174.3175.7-6.700108.2I376 A397 I398 G433 V434 K436Q340-I376 HydrophobicContact CG-CD1 3.74Å; Q340-A397 CarbonylContact C-O 3.53Å; Q340-A397 WeakPolarHBondContact CA-O 3.48Å; Q340-I398 HydrophobicContact CB-CD1 3.7Å; Q340-I398 HydrophobicContact CG-CD1 4.12Å; Q340-G433 CarbonylContact O-C 3.48Å; Q340-G433 WeakPolarHBondContact O-CA 3.45Å; Q340-V434 HydrophobicContact CB-CG2 3.96Å; Q340-V434 PolarHBondContact N-O 3.33Å; Q340-V434 PolarHBondContact O-N 3.43Å; Q340-K436 HydrophobicContact CB-CG 4.32Å
341V92.3Very high91Very high0 Ų033.6 Ų33.60%020%0.201CC..EExtended strand (participates in β ladder)trans-113.5145.8178.6-61.20000110.7A339 I343 F369 A396 A397 V399 F421 V432A339-V341 HydrophobicContact CB-CG1 4.4Å; V341-I343 HydrophobicContact CG2-CD1 4.12Å; V341-F369 HydrophobicContact CG2-CE1 4.41Å; V341-A396 CarbonylContact O-C 3.33Å; V341-A396 VanDerWaalsContact O-CA 3.23Å; V341-A396 WeakPolarHBondContact O-CA 3.43Å; V341-A397 HydrophobicContact CG2-CB 4.16Å; V341-A397 PolarHBondContact N-O 3.36Å; V341-A397 PolarHBondContact O-N 3.39Å; V341-V399 HydrophobicContact CG2-CB 4.41Å; V341-V399 HydrophobicContact CG2-CG2 3.61Å; V341-F421 HydrophobicContact CG1-CE2 4.07Å; V341-F421 HydrophobicContact CG1-CZ 3.82Å; V341-V432 CarbonylContact C-O 3.52Å; V341-V432 WeakPolarHBondContact CA-O 3.37Å
342I89.1Confident91Very high26 Ų2636.3 Ų36.313%0.13322%0.224CC..EExtended strand (participates in β ladder)trans-117.4117.6170.8-57.9175.7000106.6L344 A396 A431 V432I342-L344 HydrophobicContact CG2-CD2 4.44Å; I342-L344 PolarHBondContact O-N 3Å; I342-A396 HydrophobicContact CG1-CB 4.11Å; I342-A431 WeakPolarHBondContact O-CA 3.45Å; I342-A431 VanDerWaalsContact O-CB 3.32Å; I342-A431 WeakPolarHBondContact O-CB 3.47Å; I342-V432 HydrophobicContact CB-CG2 4.4Å; I342-V432 PolarHBondContact N-O 2.65Å; I342-V432 PolarHBondContact O-N 3.08Å
343I90.4Very high90.9Very high2 Ų235.8 Ų35.81%0.0123%0.231CC..EExtended strand (participates in β ladder)trans-78.2123.5178.4-47.7-49.9000108V341 H346 I350 L391 K392 G394 D395 A431V341-I343 HydrophobicContact CG2-CD1 4.12Å; I343-H346 HydrophobicContact CG2-CB 4.09Å; I343-I350 HydrophobicContact CD1-CD1 3.85Å; I343-I350 HydrophobicContact CG1-CD1 4.4Å; I343-I350 HydrophobicContact CG2-CD1 3.95Å; I343-L391 HydrophobicContact CD1-CD1 4.22Å; I343-L391 HydrophobicContact CG1-CB 3.99Å; I343-L391 HydrophobicContact CG1-CD1 4.31Å; I343-K392 WeakPolarHBondContact CB-O 3.45Å; I343-G394 WeakPolarHBondContact O-CA 3.32Å; I343-G394 PolarHBondContact O-N 2.86Å; I343-D395 PolarHBondContact N-O 3.35Å; I343-A431 HydrophobicContact CD1-CB 3.72Å
344L83.4Confident90.9Very high24 Ų2435.6 Ų35.613%0.12623%0.228CC..  trans-89.6-93.6-176.9-62.4-179.6000109.7L135 L136 I342 S393 T429 V430 V432L135-L344 HydrophobicContact CD2-CD2 3.44Å; L135-L344 VanDerWaalsContact CD2-CD2 3.44Å; L135-L344 HydrophobicContact CG-CD2 4.36Å; L136-L344 HydrophobicContact CD2-CD1 3.88Å; I342-L344 HydrophobicContact CG2-CD2 4.44Å; I342-L344 PolarHBondContact O-N 3Å; L344-S393 VanDerWaalsContact O-CB 3.22Å; L344-S393 WeakPolarHBondContact O-CB 3.04Å; L344-S393 PolarHBondContact O-OG 3.23Å; L344-T429 HydrophobicContact CD1-CG2 4.06Å; L344-V430 PolarHBondContact N-O 3.19Å; L344-V432 HydrophobicContact CD1-CG1 4.23Å; L344-V432 HydrophobicContact CD1-CG2 4.26Å; L344-V432 HydrophobicContact CD2-CG2 4.32Å; L344-V432 HydrophobicContact CG-CG2 4.39Å
345N74.3Confident90.8Very high68 Ų6838.4 Ų38.436%0.36425%0.251SS..SBendtrans-128.876.1-171.1-145.16.6000109.3
346H81.3Confident90.8Very high25 Ų2536.5 Ų36.512%0.11624%0.235CC..  trans-100.3130.1174.6-173-90.5000109.4I343 G348 I350 S393 V430I343-H346 HydrophobicContact CG2-CB 4.09Å; H346-G348 VanDerWaalsContact C-N 3.3Å; H346-G348 PolarHBondContact ND1-N 3.01Å; H346-G348 VanDerWaalsContact ND1-N 3.15Å; H346-G348 PolarHBondContact ND1-O 3.21Å; H346-G348 PolarHBondContact O-N 3.12Å; H346-I350 HydrophobicContact CB-CD1 4.36Å; H346-S393 PolarHBondContact N-OG 3.17Å; H346-S393 PolarHBondContact O-OG 3.35Å; H346-V430 HydrophobicContact CB-CB 4.3Å
347P75.3Confident90.6Very high119 Ų11938 Ų3877%0.77324%0.242SC*.SBendtrans-73.4-21.3-174.328.6-34.9000113.5
348G86.9Confident90.4Very high36 Ų3637.7 Ų37.737%0.37124%0.241SC..SBendtrans-118.9-151.5179.200000113H346H346-G348 VanDerWaalsContact C-N 3.3Å; H346-G348 PolarHBondContact ND1-N 3.01Å; H346-G348 VanDerWaalsContact ND1-N 3.15Å; H346-G348 PolarHBondContact ND1-O 3.21Å; H346-G348 PolarHBondContact O-N 3.12Å
349Q91.8Very high90Very high117 Ų11736.8 Ų36.855%0.54723%0.234SC..  trans-107.2144.5175.8-66175.6-200110.1F390 L391Q349-F390 HydrophobicContact CB-CB 4.07Å; Q349-F390 HydrophobicContact CB-CD2 4.01Å; Q349-F390 HydrophobicContact CB-CG 4.21Å; Q349-F390 VanDerWaalsContact CD-CD2 3.49Å; Q349-F390 HydrophobicContact CG-CD2 3.69Å; Q349-F390 HydrophobicContact CG-CE2 4.1Å; Q349-F390 HydrophobicContact CG-CG 4.26Å; Q349-L391 WeakPolarHBondContact CA-O 3.28Å
350I93.7Very high89.7Confident1 Ų136.8 Ų36.81%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-102.6118175.1-65.6170.2000108.1I343 H346 Y354 F369 F390 L391I343-I350 HydrophobicContact CD1-CD1 3.85Å; I343-I350 HydrophobicContact CG1-CD1 4.4Å; I343-I350 HydrophobicContact CG2-CD1 3.95Å; H346-I350 HydrophobicContact CB-CD1 4.36Å; I350-Y354 HydrophobicContact CB-CD1 4.35Å; I350-Y354 HydrophobicContact CD1-CD1 4.34Å; I350-Y354 HydrophobicContact CD1-CE1 4Å; I350-Y354 HydrophobicContact CG1-CD1 4.08Å; I350-Y354 HydrophobicContact CG1-CE1 4Å; I350-Y354 HydrophobicContact CG2-CD1 3.47Å; I350-Y354 VanDerWaalsContact CG2-CD1 3.47Å; I350-Y354 HydrophobicContact CG2-CE1 4.21Å; I350-Y354 HydrophobicContact CG2-CG 3.94Å; I350-F369 HydrophobicContact CG2-CD1 4.06Å; I350-F369 HydrophobicContact CG2-CE1 4.28Å; I350-F390 CarbonylContact O-C 3.57Å; I350-F390 WeakPolarHBondContact O-CA 3.31Å; I350-L391 HydrophobicContact CB-CB 4.37Å; I350-L391 PolarHBondContact N-O 3Å; I350-L391 PolarHBondContact O-N 2.68Å
351S94.7Very high89.5Confident55 Ų5536.8 Ų36.839%0.38523%0.234SC..EExtended strand (participates in β ladder)trans-111.7165.1177.6-55.70000111G353 Y354S351-G353 PolarHBondContact O-N 3.35Å; S351-Y354 VanDerWaalsContact O-CB 3.26Å; S351-Y354 WeakPolarHBondContact O-CB 3.37Å; S351-Y354 PolarHBondContact O-N 3.04Å; S351-Y354 VanDerWaalsContact O-N 3.12Å
352A95.8Very high89.2Confident62 Ų6237.9 Ų37.951%0.51224%0.241SC..THydrogen-bonded Turntrans-53.7135.4170.600000110.5
353G93.5Very high89.3Confident36 Ų3636.9 Ų36.937%0.37124%0.237SC..THydrogen-bonded Turntrans97.8-12.1-173.100000115.2S351 A355 F369S351-G353 PolarHBondContact O-N 3.35Å; G353-A355 PolarHBondContact O-N 3.02Å; G353-F369 PolarHBondContact N-O 2.62Å
354Y94.5Very high89.3Confident41 Ų4141.8 Ų41.816%0.16126%0.259CS..  trans-57128.3173.5-178.9-125000111.2I350 S351 P356 K368 F369 D425I350-Y354 HydrophobicContact CB-CD1 4.35Å; I350-Y354 HydrophobicContact CD1-CD1 4.34Å; I350-Y354 HydrophobicContact CD1-CE1 4Å; I350-Y354 HydrophobicContact CG1-CD1 4.08Å; I350-Y354 HydrophobicContact CG1-CE1 4Å; I350-Y354 HydrophobicContact CG2-CD1 3.47Å; I350-Y354 VanDerWaalsContact CG2-CD1 3.47Å; I350-Y354 HydrophobicContact CG2-CE1 4.21Å; I350-Y354 HydrophobicContact CG2-CG 3.94Å; S351-Y354 VanDerWaalsContact O-CB 3.26Å; S351-Y354 WeakPolarHBondContact O-CB 3.37Å; S351-Y354 PolarHBondContact O-N 3.04Å; S351-Y354 VanDerWaalsContact O-N 3.12Å; Y354-P356 VanDerWaalsContact C-CD 3.4Å; Y354-P356 HydrophobicContact CD1-CB 4.41Å; Y354-P356 VanDerWaalsContact CD1-CD 3.45Å; Y354-P356 HydrophobicContact CD1-CG 3.73Å; Y354-P356 HydrophobicContact CE1-CB 3.72Å; Y354-P356 HydrophobicContact CE1-CG 3.41Å; Y354-P356 VanDerWaalsContact CE1-CG 3.41Å; Y354-P356 HydrophobicContact CE2-CB 4.49Å; Y354-P356 WeakPolarHBondContact O-CD 3.44Å; Y354-K368 CarbonylContact O-C 3.54Å; Y354-K368 WeakPolarHBondContact O-CA 3.34Å; Y354-F369 HydrophobicContact CD1-CD2 4.04Å; Y354-F369 HydrophobicContact CD1-CE2 4.11Å; Y354-F369 HydrophobicContact CD1-CG 4.34Å; Y354-F369 HydrophobicContact CD1-CZ 4.46Å; Y354-F369 WeakPolarHBondContact O-CB 3.38Å; Y354-F369 WeakPolarHBondContact O-CD2 3.49Å; Y354-F369 PolarHBondContact O-N 2.72Å; Y354-D425 VanDerWaalsContact CE2-OD2 3.31Å; Y354-D425 WeakPolarHBondContact CE2-OD2 3.44Å; Y354-D425 WeakPolarHBondContact OH-CB 3.49Å; Y354-D425 PolarHBondContact OH-OD2 3.14Å
355A94.8Very high89.8Confident61 Ų6141.6 Ų41.650%0.50426%0.258SS..  trans-126.765.4-171.700000113.1G353 C367 K368G353-A355 PolarHBondContact O-N 3.02Å; A355-C367 WeakPolarHBondContact CA-O 3.33Å; A355-K368 HydrophobicContact CB-CB 4.43Å
356P94.3Very high90.8Very high4 Ų440.6 Ų40.63%0.02626%0.259CS..PPolyproline II helixtrans-74.9173.8177.534.5-38.8000112Y354 L358 A366 C367 F369 V423 D425Y354-P356 VanDerWaalsContact C-CD 3.4Å; Y354-P356 HydrophobicContact CD1-CB 4.41Å; Y354-P356 VanDerWaalsContact CD1-CD 3.45Å; Y354-P356 HydrophobicContact CD1-CG 3.73Å; Y354-P356 HydrophobicContact CE1-CB 3.72Å; Y354-P356 HydrophobicContact CE1-CG 3.41Å; Y354-P356 VanDerWaalsContact CE1-CG 3.41Å; Y354-P356 HydrophobicContact CE2-CB 4.49Å; Y354-P356 WeakPolarHBondContact O-CD 3.44Å; P356-L358 HydrophobicContact CG-CD1 4.23Å; P356-A366 WeakPolarHBondContact O-CA 3.27Å; P356-C367 WeakPolarHBondContact CD-O 3.28Å; P356-C367 PolarHBondContact O-N 3.46Å; P356-F369 HydrophobicContact CG-CD2 4.01Å; P356-F369 HydrophobicContact CG-CE2 3.46Å; P356-F369 VanDerWaalsContact CG-CE2 3.46Å; P356-F369 HydrophobicContact CG-CZ 4.39Å; P356-V423 HydrophobicContact CB-CG1 3.51Å; P356-V423 HydrophobicContact CG-CG1 3.2Å; P356-D425 HydrophobicContact CB-CB 4.4Å
357V93.2Very high91.5Very high45 Ų4539.4 Ų39.427%0.27325%0.254SS..EExtended strand (participates in β ladder)trans-87.6132.8173.4-173.50000110.7H364 R424V357-H364 WeakPolarHBondContact CG1-CE1 3.45Å; V357-R424 PolarHBondContact N-O 3.46Å; V357-R424 VanDerWaalsContact N-O 3.08Å; V357-R424 PolarHBondContact O-N 2.87Å
358L93Very high92.6Very high1 Ų139 Ų391%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-102.3125.9173.7-85.762.9000110.3F337 P356 H364 I365 C367 M401 F421 A422 V423F337-L358 HydrophobicContact CE2-CD2 4.31Å; F337-L358 HydrophobicContact CZ-CD2 3.77Å; P356-L358 HydrophobicContact CG-CD1 4.23Å; L358-H364 WeakPolarHBondContact O-CA 3.41Å; L358-I365 PolarHBondContact N-O 3.43Å; L358-I365 PolarHBondContact O-N 2.89Å; L358-C367 HydrophobicContact CD1-CB 3.79Å; L358-C367 HydrophobicContact CD2-CB 3.86Å; L358-C367 HydrophobicContact CG-CB 4.3Å; L358-M401 HydrophobicContact CD1-CE 3.81Å; L358-M401 HydrophobicContact CD2-CE 3.54Å; L358-M401 HydrophobicContact CD2-SD 4.11Å; L358-M401 HydrophobicContact CG-CE 4.25Å; L358-F421 HydrophobicContact CD2-CD2 3.53Å; L358-F421 HydrophobicContact CD2-CE2 3.7Å; L358-F421 HydrophobicContact CD2-CG 4.06Å; L358-F421 HydrophobicContact CD2-CZ 4.35Å; L358-F421 HydrophobicContact CG-CD2 3.75Å; L358-F421 HydrophobicContact CG-CE2 4.18Å; L358-F421 HydrophobicContact CG-CG 4.48Å; L358-A422 CarbonylContact C-O 3.51Å; L358-A422 WeakPolarHBondContact CA-O 3.4Å; L358-V423 HydrophobicContact CD1-CG1 4.22Å; L358-V423 HydrophobicContact CD1-CG2 4.14Å; L358-V423 HydrophobicContact CG-CG2 4.24Å
359D88.8Confident93Very high14 Ų1437.3 Ų37.38%0.07522%0.222CC..EExtended strand (participates in β ladder)trans-95109.3164.6-74.7-63.2000107.9A363 H364 F421 A422 R424D359-A363 WeakPolarHBondContact CA-O 3.46Å; D359-H364 IonicContact OD1-CE1 2.79Å; D359-H364 IonicContact OD1-CG 2.78Å; D359-H364 IonicContact OD1-ND1 2.78Å; D359-H364 PolarHBondContact OD1-ND1 3.38Å; D359-H364 IonicContact OD2-CE1 2.89Å; D359-H364 IonicContact OD2-ND1 3.27Å; D359-F421 CarbonylContact O-C 3.56Å; D359-F421 WeakPolarHBondContact O-CA 3.23Å; D359-F421 WeakPolarHBondContact O-CB 3.48Å; D359-A422 PolarHBondContact N-O 3.49Å; D359-A422 PolarHBondContact O-N 2.91Å; D359-R424 WeakPolarHBondContact OD2-CD 3.28Å
360C89.9Confident93.2Very high1 Ų133.7 Ų33.71%0.00721%0.213CC..EExtended strand (participates in β ladder)trans-131.6125.2177.3-1730000107.9T362 A363 M407 V409 L418 R420 F421C360-T362 PolarHBondContact O-N 3.25Å; C360-T362 VanDerWaalsContact O-N 3.09Å; C360-A363 PolarHBondContact N-O 3.09Å; C360-A363 WeakPolarHBondContact O-CA 3.23Å; C360-A363 WeakPolarHBondContact O-CB 3.49Å; C360-A363 PolarHBondContact O-N 2.8Å; C360-M407 HydrophobicContact CB-CE 3.55Å; C360-V409 HydrophobicContact CB-CG1 4.43Å; C360-L418 PolarHBondContact SG-O 3.32Å; C360-L418 VanDerWaalsContact SG-O 3.33Å; C360-R420 PolarHBondContact SG-O 3.39Å; C360-F421 HydrophobicContact CB-CB 3.74Å
361H88.1Confident93.4Very high34 Ų3438.6 Ų38.616%0.15724%0.236CC..THydrogen-bonded Turntrans47.2-111.9-170.656.482.1000112.6P246 A363 C408P246-H361 HydrophobicContact CB-CB 4.15Å; P246-H361 HydrophobicContact CG-CB 4.07Å; H361-A363 WeakPolarHBondContact CE1-CB 3.21Å; H361-A363 PolarHBondContact ND1-N 3.15Å; H361-C408 PolarHBondContact NE2-O 2.83Å
362T87Confident93.5Very high23 Ų2336.3 Ų36.314%0.14122%0.219CC..THydrogen-bonded Turntrans-102.2-7.5175.357.80000112.9P246 L247 Q248 G320 C360P246-T362 HydrophobicContact CB-CG2 3.99Å; L247-T362 WeakPolarHBondContact O-CB 3.42Å; L247-T362 PolarHBondContact O-OG1 2.99Å; Q248-T362 HydrophobicContact CG-CG2 3.79Å; G320-T362 VanDerWaalsContact CA-OG1 3.27Å; G320-T362 WeakPolarHBondContact CA-OG1 3.38Å; G320-T362 PolarHBondContact N-OG1 3.5Å; C360-T362 PolarHBondContact O-N 3.25Å; C360-T362 VanDerWaalsContact O-N 3.09Å
363A90.6Very high93.4Very high5 Ų536.9 Ų36.94%0.04121%0.21CC..EExtended strand (participates in β ladder)trans-81.5144.1178.900000112.5D359 C360 H361 M407D359-A363 WeakPolarHBondContact CA-O 3.46Å; C360-A363 PolarHBondContact N-O 3.09Å; C360-A363 WeakPolarHBondContact O-CA 3.23Å; C360-A363 WeakPolarHBondContact O-CB 3.49Å; C360-A363 PolarHBondContact O-N 2.8Å; H361-A363 WeakPolarHBondContact CE1-CB 3.21Å; H361-A363 PolarHBondContact ND1-N 3.15Å; A363-M407 HydrophobicContact CB-CE 4.19Å
364H90Very high93.5Very high105 Ų10538 Ų3849%0.48621%0.205SC..EExtended strand (participates in β ladder)trans-135.792.1179.4-175.376.5000108.5V357 L358 D359V357-H364 WeakPolarHBondContact CG1-CE1 3.45Å; L358-H364 WeakPolarHBondContact O-CA 3.41Å; D359-H364 IonicContact OD1-CE1 2.79Å; D359-H364 IonicContact OD1-CG 2.78Å; D359-H364 IonicContact OD1-ND1 2.78Å; D359-H364 PolarHBondContact OD1-ND1 3.38Å; D359-H364 IonicContact OD2-CE1 2.89Å; D359-H364 IonicContact OD2-ND1 3.27Å
365I93.9Very high93.4Very high21 Ų2137.7 Ų37.711%0.10821%0.205CC..EExtended strand (participates in β ladder)trans-136.2135.9-168.3-67.3176.9000110.1L358 P403 K405 P406 M407L358-I365 PolarHBondContact N-O 3.43Å; L358-I365 PolarHBondContact O-N 2.89Å; I365-P403 HydrophobicContact CG2-CB 4.44Å; I365-K405 HydrophobicContact CG2-CB 4.13Å; I365-P406 WeakPolarHBondContact CD1-O 3.4Å; I365-M407 HydrophobicContact CB-SD 4.17Å; I365-M407 HydrophobicContact CD1-CB 3.65Å; I365-M407 HydrophobicContact CD1-CG 3.8Å; I365-M407 HydrophobicContact CD1-SD 4.35Å; I365-M407 HydrophobicContact CG2-SD 4.37Å
366A95.6Very high93.2Very high46 Ų4635.1 Ų35.138%0.3818%0.183SC..EExtended strand (participates in β ladder)trans-67.6130.4171.800000110.6P356 G404P356-A366 WeakPolarHBondContact O-CA 3.27Å; A366-G404 PolarHBondContact O-N 2.81Å
367C96.7Very high92.4Very high0 Ų037.5 Ų37.50%020%0.195CC..EExtended strand (participates in β ladder)trans-128.5133.4177.4-56.90000110.2A355 P356 L358 M401 V402A355-C367 WeakPolarHBondContact CA-O 3.33Å; P356-C367 WeakPolarHBondContact CD-O 3.28Å; P356-C367 PolarHBondContact O-N 3.46Å; L358-C367 HydrophobicContact CD1-CB 3.79Å; L358-C367 HydrophobicContact CD2-CB 3.86Å; L358-C367 HydrophobicContact CG-CB 4.3Å; C367-M401 HydrophobicContact CB-CE 4.07Å; C367-V402 CarbonylContact C-O 3.59Å; C367-V402 WeakPolarHBondContact CA-O 3.21Å
368K97.3Very high91.5Very high111 Ų11141.8 Ų41.848%0.48321%0.206SC..EExtended strand (participates in β ladder)trans-82.8129.6177.3-173.7179.6179.9-176.20109.6Y354 A355 A370 M401 V402Y354-K368 CarbonylContact O-C 3.54Å; Y354-K368 WeakPolarHBondContact O-CA 3.34Å; A355-K368 HydrophobicContact CB-CB 4.43Å; K368-A370 VanDerWaalsContact C-N 3.33Å; K368-A370 PolarHBondContact O-N 3.47Å; K368-M401 CarbonylContact O-C 3.55Å; K368-M401 VanDerWaalsContact O-CA 3.26Å; K368-M401 WeakPolarHBondContact O-CA 3.22Å; K368-V402 PolarHBondContact N-O 3.24Å; K368-V402 PolarHBondContact O-N 2.95Å
369F96.8Very high90.2Very high0 Ų048 Ų480%023%0.23CC..EExtended strand (participates in β ladder)trans-72.190.5165.3-75.2-127.8000106.4V341 I350 G353 Y354 P356 L372 V399 M401 V423V341-F369 HydrophobicContact CG2-CE1 4.41Å; I350-F369 HydrophobicContact CG2-CD1 4.06Å; I350-F369 HydrophobicContact CG2-CE1 4.28Å; G353-F369 PolarHBondContact N-O 2.62Å; Y354-F369 HydrophobicContact CD1-CD2 4.04Å; Y354-F369 HydrophobicContact CD1-CE2 4.11Å; Y354-F369 HydrophobicContact CD1-CG 4.34Å; Y354-F369 HydrophobicContact CD1-CZ 4.46Å; Y354-F369 WeakPolarHBondContact O-CB 3.38Å; Y354-F369 WeakPolarHBondContact O-CD2 3.49Å; Y354-F369 PolarHBondContact O-N 2.72Å; P356-F369 HydrophobicContact CG-CD2 4.01Å; P356-F369 HydrophobicContact CG-CE2 3.46Å; P356-F369 VanDerWaalsContact CG-CE2 3.46Å; P356-F369 HydrophobicContact CG-CZ 4.39Å; F369-L372 HydrophobicContact CB-CD2 4.49Å; F369-L372 HydrophobicContact CD1-CD2 4.02Å; F369-V399 HydrophobicContact CB-CG1 4.04Å; F369-V399 HydrophobicContact CD1-CB 4.41Å; F369-V399 HydrophobicContact CD1-CG1 3.53Å; F369-V399 HydrophobicContact CD1-CG2 4.21Å; F369-V399 HydrophobicContact CE1-CG1 4.16Å; F369-V399 HydrophobicContact CE1-CG2 4.36Å; F369-V399 HydrophobicContact CG-CG1 3.93Å; F369-M401 HydrophobicContact CD2-CE 3.54Å; F369-M401 HydrophobicContact CE2-CE 3.21Å; F369-M401 HydrophobicContact CE2-SD 4.46Å; F369-M401 HydrophobicContact CG-CE 4.35Å; F369-M401 HydrophobicContact CZ-CE 3.8Å; F369-V423 HydrophobicContact CE2-CG1 4.18Å; F369-V423 HydrophobicContact CZ-CG1 4.21Å; F369-V423 HydrophobicContact CZ-CG2 4.21Å
370A96Very high89.3Confident42 Ų4250.7 Ų50.735%0.34725%0.25SC..EExtended strand (participates in β ladder)trans-70.5-46.7-17300000111K368 D400 V402K368-A370 VanDerWaalsContact C-N 3.33Å; K368-A370 PolarHBondContact O-N 3.47Å; A370-D400 WeakPolarHBondContact CB-O 3.43Å; A370-D400 PolarHBondContact N-O 2.89Å; A370-V402 HydrophobicContact CB-CG2 3.9Å
371E96.6Very high88.3Confident104 Ų10452.5 Ų52.549%0.48627%0.269SS..EExtended strand (participates in β ladder)trans-142.1134.1-178.9-169.4-179.616500110.4K373 V399 D400E371-K373 HydrophobicContact CG-CG 4.38Å; E371-V399 WeakPolarHBondContact O-CA 3.49Å; E371-V399 WeakPolarHBondContact O-CG1 3.5Å; E371-D400 HydrophobicContact CB-CB 4.27Å; E371-D400 PolarHBondContact N-O 2.8Å; E371-D400 PolarHBondContact O-N 3.12Å
372L96.8Very high87.8Confident7 Ų758.2 Ų58.24%0.03729%0.293CS..EExtended strand (participates in β ladder)trans-93.394.9170.7-51.9178.5000107F369 G387 P388 L391 V399F369-L372 HydrophobicContact CB-CD2 4.49Å; F369-L372 HydrophobicContact CD1-CD2 4.02Å; L372-G387 WeakPolarHBondContact O-CA 3.44Å; L372-P388 HydrophobicContact CB-CG 4.05Å; L372-P388 WeakPolarHBondContact CD1-O 3.37Å; L372-P388 WeakPolarHBondContact O-CD 3.42Å; L372-L391 HydrophobicContact CD1-CD1 4.48Å; L372-L391 HydrophobicContact CD1-CG 4.14Å; L372-L391 HydrophobicContact CD2-CD1 3.93Å; L372-L391 HydrophobicContact CD2-CG 4.47Å; L372-V399 HydrophobicContact CD2-CG1 4.08Å; L372-V399 HydrophobicContact CD2-CG2 3.74Å
373K94.7Very high87.9Confident73 Ų7361.7 Ų61.732%0.31731%0.306SS..EExtended strand (participates in β ladder)trans-73.5-48.7-171.1-55.5-168.1101140.60112.2E371 G387 I398 D400E371-K373 HydrophobicContact CG-CG 4.38Å; K373-G387 PolarHBondContact O-N 3.03Å; K373-I398 HydrophobicContact CB-CG2 4.42Å; K373-I398 HydrophobicContact CD-CG2 4.36Å; K373-I398 PolarHBondContact N-O 2.8Å; K373-D400 VanDerWaalsContact CD-OD2 3.29Å; K373-D400 WeakPolarHBondContact CD-OD2 3.33Å; K373-D400 VanDerWaalsContact CE-OD2 3.26Å; K373-D400 WeakPolarHBondContact CE-OD2 3.09Å; K373-D400 IonicContact NZ-OD1 2.7Å; K373-D400 IonicContact NZ-OD2 3.84Å; K373-D400 PolarHBondContact NZ-OD2 2.93Å
374E94.7Very high87.8Confident59 Ų5966.7 Ų66.728%0.27633%0.332SS..EExtended strand (participates in β ladder)trans-146.2140.6-171.8-56.1-173.2156.400110.4I376 K383 E385 A397 I398E374-I376 HydrophobicContact CB-CG2 4.2Å; E374-K383 HydrophobicContact CB-CG 4.39Å; E374-K383 HydrophobicContact CG-CD 4.17Å; E374-K383 HydrophobicContact CG-CG 4.49Å; E374-K383 WeakPolarHBondContact OE1-CD 3.23Å; E374-K383 VanDerWaalsContact OE1-CE 3.28Å; E374-K383 WeakPolarHBondContact OE1-CE 3.07Å; E374-K383 IonicContact OE1-NZ 2.84Å; E374-K383 PolarHBondContact OE1-NZ 3.32Å; E374-E385 CarbonylContact C-O 3.6Å; E374-E385 WeakPolarHBondContact CA-O 3.37Å; E374-A397 CarbonylContact O-C 3.58Å; E374-A397 WeakPolarHBondContact O-CA 3.4Å; E374-A397 VanDerWaalsContact O-CB 3.24Å; E374-A397 WeakPolarHBondContact O-CB 3.47Å; E374-I398 HydrophobicContact CB-CB 4.19Å; E374-I398 HydrophobicContact CB-CG1 4.3Å; E374-I398 PolarHBondContact N-O 2.86Å; E374-I398 PolarHBondContact O-N 2.82Å
375K93.6Very high87.9Confident35 Ų3566.1 Ų66.115%0.15233%0.329CS..EExtended strand (participates in β ladder)trans-90.9133.6160.9-169.2171.8174.2154.80108.3L384 E385 P388 D395K375-L384 PolarHBondContact O-N 2.79Å; K375-E385 HydrophobicContact CB-CB 3.81Å; K375-E385 PolarHBondContact N-O 2.82Å; K375-E385 PolarHBondContact O-N 3.16Å; K375-P388 HydrophobicContact CB-CB 4.36Å; K375-P388 HydrophobicContact CB-CG 4.15Å; K375-D395 WeakPolarHBondContact CE-OD1 3.24Å; K375-D395 WeakPolarHBondContact CE-OD2 3.15Å; K375-D395 IonicContact NZ-OD1 2.88Å; K375-D395 PolarHBondContact NZ-OD1 2.99Å; K375-D395 IonicContact NZ-OD2 3.81Å; K375-D395 PolarHBondContact NZ-OD2 2.94Å
376I88.9Confident87.9Confident7 Ų770.6 Ų70.64%0.03635%0.353CS..EExtended strand (participates in β ladder)trans-127.5153.2-176.262.7169.8000111.1Q340 E374 R378 K382 A396 I398Q340-I376 HydrophobicContact CG-CD1 3.74Å; E374-I376 HydrophobicContact CB-CG2 4.2Å; I376-R378 PolarHBondContact O-N 2.87Å; I376-K382 CarbonylContact C-O 3.59Å; I376-K382 WeakPolarHBondContact CA-O 3.31Å; I376-A396 HydrophobicContact CD1-CB 4.38Å; I376-A396 HydrophobicContact CG1-CB 3.77Å; I376-A396 PolarHBondContact N-O 3.3Å; I376-I398 HydrophobicContact CD1-CD1 3.93Å; I376-I398 HydrophobicContact CD1-CG1 4.38Å; I376-I398 HydrophobicContact CG2-CG1 4.09Å
377D79Confident87.8Confident54 Ų5470.3 Ų70.329%0.28936%0.355SS..  trans-70.2125.8167.9174.8-105.7000109.4R379 S380 G381 K382 L384D377-R379 PolarHBondContact O-N 2.83Å; D377-R379 VanDerWaalsContact O-N 3.09Å; D377-R379 PolarHBondContact OD1-N 3.25Å; D377-R379 VanDerWaalsContact OD1-N 3.15Å; D377-S380 WeakPolarHBondContact CB-OG 3.46Å; D377-S380 WeakPolarHBondContact OD1-CB 3.48Å; D377-S380 PolarHBondContact OD1-N 2.85Å; D377-S380 PolarHBondContact OD1-OG 3.44Å; D377-G381 VanDerWaalsContact O-CA 3.27Å; D377-G381 WeakPolarHBondContact O-CA 3.3Å; D377-G381 PolarHBondContact O-N 3.27Å; D377-K382 PolarHBondContact N-O 3.44Å; D377-L384 HydrophobicContact CB-CD1 4.19Å; D377-L384 HydrophobicContact CB-CD2 4.3Å; D377-L384 HydrophobicContact CB-CG 4.29Å
378R74.1Confident87.7Confident135 Ų13570.5 Ų70.551%0.50936%0.356SS..THydrogen-bonded Turntrans-59.4-23.3-17567.4-178.5174.5175.4-5.8115.2I376 A396I376-R378 PolarHBondContact O-N 2.87Å; R378-A396 HydrophobicContact CB-CB 3.94Å
379R65.7Low87.5Confident132 Ų13273.9 Ų73.950%0.49837%0.371SS..THydrogen-bonded Turntrans-99.3-51.5-175.7-66.8-168.6-170.6140.819112K177 D377K177-R379 VanDerWaalsContact CB-NH2 3.31Å; K177-R379 VanDerWaalsContact CG-CZ 3.46Å; K177-R379 PolarHBondContact O-NE 2.97Å; D377-R379 PolarHBondContact O-N 2.83Å; D377-R379 VanDerWaalsContact O-N 3.09Å; D377-R379 PolarHBondContact OD1-N 3.25Å; D377-R379 VanDerWaalsContact OD1-N 3.15Å
380S68.9Low87.4Confident71 Ų7177.9 Ų77.950%0.49739%0.388SS..THydrogen-bonded Turntrans-85.1-17-175.361.70000112.6D377 K382D377-S380 WeakPolarHBondContact CB-OG 3.46Å; D377-S380 WeakPolarHBondContact OD1-CB 3.48Å; D377-S380 PolarHBondContact OD1-N 2.85Å; D377-S380 PolarHBondContact OD1-OG 3.44Å; S380-K382 PolarHBondContact O-N 2.81Å; S380-K382 PolarHBondContact OG-N 3.28Å
381G69.6Low87.3Confident39 Ų3975.9 Ų75.940%0.40237%0.372SS..  trans67.67.3-17200000113.3D377D377-G381 VanDerWaalsContact O-CA 3.27Å; D377-G381 WeakPolarHBondContact O-CA 3.3Å; D377-G381 PolarHBondContact O-N 3.27Å
382K77.4Confident87.1Confident153 Ų15376.3 Ų76.367%0.66537%0.372SS*.  trans-68.6135.3179.1-75-173.2174.7-173.50110.3I376 D377 S380 L384I376-K382 CarbonylContact C-O 3.59Å; I376-K382 WeakPolarHBondContact CA-O 3.31Å; D377-K382 PolarHBondContact N-O 3.44Å; S380-K382 PolarHBondContact O-N 2.81Å; S380-K382 PolarHBondContact OG-N 3.28Å; K382-L384 PolarHBondContact O-N 3.3Å
383K89.3Confident86.7Confident96 Ų9678.3 Ų78.342%0.41739%0.386SS..EExtended strand (participates in β ladder)trans-61.1130.6172.9-172.2174.5-176.8162.80110.6E374 D386E374-K383 HydrophobicContact CB-CG 4.39Å; E374-K383 HydrophobicContact CG-CD 4.17Å; E374-K383 HydrophobicContact CG-CG 4.49Å; E374-K383 WeakPolarHBondContact OE1-CD 3.23Å; E374-K383 VanDerWaalsContact OE1-CE 3.28Å; E374-K383 WeakPolarHBondContact OE1-CE 3.07Å; E374-K383 IonicContact OE1-NZ 2.84Å; E374-K383 PolarHBondContact OE1-NZ 3.32Å; K383-D386 WeakPolarHBondContact CE-OD2 3.24Å; K383-D386 IonicContact NZ-OD2 3.87Å; K383-D386 PolarHBondContact NZ-OD2 3.46Å
384L88.3Confident86.1Confident111 Ų11176.8 Ų76.858%0.58139%0.391SS*.EExtended strand (participates in β ladder)trans-107.1-39.7177.2-63.1177.7000111.3K375 D377 K382K375-L384 PolarHBondContact O-N 2.79Å; D377-L384 HydrophobicContact CB-CD1 4.19Å; D377-L384 HydrophobicContact CB-CD2 4.3Å; D377-L384 HydrophobicContact CB-CG 4.29Å; K382-L384 PolarHBondContact O-N 3.3Å
385E92Very high85.9Confident92 Ų9274.9 Ų74.943%0.4338%0.383SS..EExtended strand (participates in β ladder)trans-148.5142.5-175.7-167.4-178.1163.700109.4E374 K375E374-E385 CarbonylContact C-O 3.6Å; E374-E385 WeakPolarHBondContact CA-O 3.37Å; K375-E385 HydrophobicContact CB-CB 3.81Å; K375-E385 PolarHBondContact N-O 2.82Å; K375-E385 PolarHBondContact O-N 3.16Å
386D94.4Very high85.7Confident115 Ų11573.3 Ų73.362%0.61538%0.377SS*.EExtended strand (participates in β ladder)trans-97.8135172.5-159.1-43000109.3K383K383-D386 WeakPolarHBondContact CE-OD2 3.24Å; K383-D386 IonicContact NZ-OD2 3.87Å; K383-D386 PolarHBondContact NZ-OD2 3.46Å
387G92.7Very high86Confident40 Ų4073 Ų7341%0.41238%0.375SS..SBendtrans55.351.1177.900000115.2L372 K373 K389L372-G387 WeakPolarHBondContact O-CA 3.44Å; K373-G387 PolarHBondContact O-N 3.03Å; G387-K389 PolarHBondContact O-N 3.21Å
388P94.5Very high86.8Confident5 Ų571.7 Ų71.73%0.03237%0.368CS..  trans-59.5135-178.427.2-37000111.3L372 K375 F390 L391L372-P388 HydrophobicContact CB-CG 4.05Å; L372-P388 WeakPolarHBondContact CD1-O 3.37Å; L372-P388 WeakPolarHBondContact O-CD 3.42Å; K375-P388 HydrophobicContact CB-CB 4.36Å; K375-P388 HydrophobicContact CB-CG 4.15Å; P388-F390 VanDerWaalsContact C-N 3.28Å; P388-F390 PolarHBondContact O-N 2.74Å; P388-L391 HydrophobicContact CB-CD2 4.39Å; P388-L391 HydrophobicContact CG-CD2 4.06Å
389K93.8Very high87.9Confident182 Ų18265.2 Ų65.279%0.79134%0.343SS*.SBendtrans-64.2-33.6179.9-67.8-172.7179.7-178.70113G387G387-K389 PolarHBondContact O-N 3.21Å
390F94.2Very high89.4Confident83 Ų8360.4 Ų60.436%0.36433%0.328SS..EExtended strand (participates in β ladder)trans-154.1158.7178.262.3-92.5000111.4Q349 I350 P388Q349-F390 HydrophobicContact CB-CB 4.07Å; Q349-F390 HydrophobicContact CB-CD2 4.01Å; Q349-F390 HydrophobicContact CB-CG 4.21Å; Q349-F390 VanDerWaalsContact CD-CD2 3.49Å; Q349-F390 HydrophobicContact CG-CD2 3.69Å; Q349-F390 HydrophobicContact CG-CE2 4.1Å; Q349-F390 HydrophobicContact CG-CG 4.26Å; I350-F390 CarbonylContact O-C 3.57Å; I350-F390 WeakPolarHBondContact O-CA 3.31Å; P388-F390 VanDerWaalsContact C-N 3.28Å; P388-F390 PolarHBondContact O-N 2.74Å
391L94.6Very high90.8Very high0 Ų057.1 Ų57.10%030%0.304CS..EExtended strand (participates in β ladder)trans-113.7148.8172.5-57173.3000110.4I343 Q349 I350 L372 P388 D395 A397 V399I343-L391 HydrophobicContact CD1-CD1 4.22Å; I343-L391 HydrophobicContact CG1-CB 3.99Å; I343-L391 HydrophobicContact CG1-CD1 4.31Å; Q349-L391 WeakPolarHBondContact CA-O 3.28Å; I350-L391 HydrophobicContact CB-CB 4.37Å; I350-L391 PolarHBondContact N-O 3Å; I350-L391 PolarHBondContact O-N 2.68Å; L372-L391 HydrophobicContact CD1-CD1 4.48Å; L372-L391 HydrophobicContact CD1-CG 4.14Å; L372-L391 HydrophobicContact CD2-CD1 3.93Å; L372-L391 HydrophobicContact CD2-CG 4.47Å; P388-L391 HydrophobicContact CB-CD2 4.39Å; P388-L391 HydrophobicContact CG-CD2 4.06Å; L391-D395 HydrophobicContact CD2-CB 4.41Å; L391-A397 HydrophobicContact CD1-CB 3.42Å; L391-A397 VanDerWaalsContact CD1-CB 3.42Å; L391-A397 HydrophobicContact CD2-CB 3.66Å; L391-A397 HydrophobicContact CG-CB 4.19Å; L391-V399 HydrophobicContact CD1-CG2 4.3Å
392K92.4Very high92.1Very high114 Ų11458.4 Ų58.450%0.49630%0.304SS..  trans-128168.4174.960.9177.2178.3-172.30111.6I343 G394 D395I343-K392 WeakPolarHBondContact CB-O 3.45Å; K392-G394 PolarHBondContact O-N 2.86Å; K392-D395 VanDerWaalsContact CG-OD2 3.27Å; K392-D395 WeakPolarHBondContact CG-OD2 3.44Å; K392-D395 PolarHBondContact N-OD2 3.25Å; K392-D395 VanDerWaalsContact O-CB 3.24Å; K392-D395 WeakPolarHBondContact O-CB 3.42Å; K392-D395 PolarHBondContact O-N 2.84Å
393S88.2Confident93Very high48 Ų4852 Ų5234%0.33628%0.278SS..THydrogen-bonded Turntrans-47.7126.9175.5-65.10000112.6L344 H346L344-S393 VanDerWaalsContact O-CB 3.22Å; L344-S393 WeakPolarHBondContact O-CB 3.04Å; L344-S393 PolarHBondContact O-OG 3.23Å; H346-S393 PolarHBondContact N-OG 3.17Å; H346-S393 PolarHBondContact O-OG 3.35Å
394G82.9Confident93.3Very high41 Ų4150.4 Ų50.442%0.42329%0.29SS..THydrogen-bonded Turntrans92.3-12.7-177.400000115.4I343 K392I343-G394 WeakPolarHBondContact O-CA 3.32Å; I343-G394 PolarHBondContact O-N 2.86Å; K392-G394 PolarHBondContact O-N 2.86Å
395D89.9Confident93.6Very high20 Ų2052 Ų5211%0.10729%0.292CS..  trans-73.1147.3175.1-68-20.9000111I343 K375 L391 K392I343-D395 PolarHBondContact N-O 3.35Å; K375-D395 WeakPolarHBondContact CE-OD1 3.24Å; K375-D395 WeakPolarHBondContact CE-OD2 3.15Å; K375-D395 IonicContact NZ-OD1 2.88Å; K375-D395 PolarHBondContact NZ-OD1 2.99Å; K375-D395 IonicContact NZ-OD2 3.81Å; K375-D395 PolarHBondContact NZ-OD2 2.94Å; L391-D395 HydrophobicContact CD2-CB 4.41Å; K392-D395 VanDerWaalsContact CG-OD2 3.27Å; K392-D395 WeakPolarHBondContact CG-OD2 3.44Å; K392-D395 PolarHBondContact N-OD2 3.25Å; K392-D395 VanDerWaalsContact O-CB 3.24Å; K392-D395 WeakPolarHBondContact O-CB 3.42Å; K392-D395 PolarHBondContact O-N 2.84Å
396A89.4Confident93.8Very high1 Ų150.6 Ų50.61%0.00829%0.29CS..EExtended strand (participates in β ladder)trans-113.5144.6164.300000109V341 I342 I376 R378V341-A396 CarbonylContact O-C 3.33Å; V341-A396 VanDerWaalsContact O-CA 3.23Å; V341-A396 WeakPolarHBondContact O-CA 3.43Å; I342-A396 HydrophobicContact CG1-CB 4.11Å; I376-A396 HydrophobicContact CD1-CB 4.38Å; I376-A396 HydrophobicContact CG1-CB 3.77Å; I376-A396 PolarHBondContact N-O 3.3Å; R378-A396 HydrophobicContact CB-CB 3.94Å
397A95.3Very high93.8Very high0 Ų045.2 Ų45.20%026%0.262CS..EExtended strand (participates in β ladder)trans-148.6156.2-175.700000112.6Q340 V341 E374 L391 V399Q340-A397 CarbonylContact C-O 3.53Å; Q340-A397 WeakPolarHBondContact CA-O 3.48Å; V341-A397 HydrophobicContact CG2-CB 4.16Å; V341-A397 PolarHBondContact N-O 3.36Å; V341-A397 PolarHBondContact O-N 3.39Å; E374-A397 CarbonylContact O-C 3.58Å; E374-A397 WeakPolarHBondContact O-CA 3.4Å; E374-A397 VanDerWaalsContact O-CB 3.24Å; E374-A397 WeakPolarHBondContact O-CB 3.47Å; L391-A397 HydrophobicContact CD1-CB 3.42Å; L391-A397 VanDerWaalsContact CD1-CB 3.42Å; L391-A397 HydrophobicContact CD2-CB 3.66Å; L391-A397 HydrophobicContact CG-CB 4.19Å; A397-V399 HydrophobicContact CB-CG2 4.08Å
398I95.6Very high94Very high27 Ų2743.3 Ų43.314%0.13824%0.242CC..EExtended strand (participates in β ladder)trans-95.9124164.1-55.2-57.5000107.6T338 A339 Q340 K373 E374 I376T338-I398 HydrophobicContact CG2-CG2 3.46Å; T338-I398 VanDerWaalsContact CG2-CG2 3.46Å; A339-I398 WeakPolarHBondContact O-CA 3.16Å; Q340-I398 HydrophobicContact CB-CD1 3.7Å; Q340-I398 HydrophobicContact CG-CD1 4.12Å; K373-I398 HydrophobicContact CB-CG2 4.42Å; K373-I398 HydrophobicContact CD-CG2 4.36Å; K373-I398 PolarHBondContact N-O 2.8Å; E374-I398 HydrophobicContact CB-CB 4.19Å; E374-I398 HydrophobicContact CB-CG1 4.3Å; E374-I398 PolarHBondContact N-O 2.86Å; E374-I398 PolarHBondContact O-N 2.82Å; I376-I398 HydrophobicContact CD1-CD1 3.93Å; I376-I398 HydrophobicContact CD1-CG1 4.38Å; I376-I398 HydrophobicContact CG2-CG1 4.09Å
399V96.9Very high94.1Very high0 Ų043.1 Ų43.10%024%0.241CC..EExtended strand (participates in β ladder)trans-131.2134.3-173.2178.40000109.4T338 A339 V341 F369 E371 L372 L391 A397 M401T338-V399 WeakPolarHBondContact CA-O 3.25Å; A339-V399 PolarHBondContact N-O 3.3Å; A339-V399 PolarHBondContact O-N 2.81Å; V341-V399 HydrophobicContact CG2-CB 4.41Å; V341-V399 HydrophobicContact CG2-CG2 3.61Å; F369-V399 HydrophobicContact CB-CG1 4.04Å; F369-V399 HydrophobicContact CD1-CB 4.41Å; F369-V399 HydrophobicContact CD1-CG1 3.53Å; F369-V399 HydrophobicContact CD1-CG2 4.21Å; F369-V399 HydrophobicContact CE1-CG1 4.16Å; F369-V399 HydrophobicContact CE1-CG2 4.36Å; F369-V399 HydrophobicContact CG-CG1 3.93Å; E371-V399 WeakPolarHBondContact O-CA 3.49Å; E371-V399 WeakPolarHBondContact O-CG1 3.5Å; L372-V399 HydrophobicContact CD2-CG1 4.08Å; L372-V399 HydrophobicContact CD2-CG2 3.74Å; L391-V399 HydrophobicContact CD1-CG2 4.3Å; A397-V399 HydrophobicContact CB-CG2 4.08Å; V399-M401 HydrophobicContact CB-CG 4.42Å; V399-M401 HydrophobicContact CG1-CG 3.8Å
400D97.5Very high94.2Very high31 Ų3134.5 Ų34.517%0.16620%0.203CC..EExtended strand (participates in β ladder)trans-87.5127.5166.5-72.6-19.7000109.5T338 A370 E371 K373T338-D400 VanDerWaalsContact CB-OD1 3.26Å; T338-D400 WeakPolarHBondContact CB-OD1 3.35Å; T338-D400 WeakPolarHBondContact CG2-OD1 3.09Å; T338-D400 PolarHBondContact OG1-OD1 2.86Å; A370-D400 WeakPolarHBondContact CB-O 3.43Å; A370-D400 PolarHBondContact N-O 2.89Å; E371-D400 HydrophobicContact CB-CB 4.27Å; E371-D400 PolarHBondContact N-O 2.8Å; E371-D400 PolarHBondContact O-N 3.12Å; K373-D400 VanDerWaalsContact CD-OD2 3.29Å; K373-D400 WeakPolarHBondContact CD-OD2 3.33Å; K373-D400 VanDerWaalsContact CE-OD2 3.26Å; K373-D400 WeakPolarHBondContact CE-OD2 3.09Å; K373-D400 IonicContact NZ-OD1 2.7Å; K373-D400 IonicContact NZ-OD2 3.84Å; K373-D400 PolarHBondContact NZ-OD2 2.93Å
401M97.3Very high94.3Very high2 Ų231.1 Ų31.11%0.0119%0.19CC..EExtended strand (participates in β ladder)trans-122.3140.5-172.5-55.6-169.672.300110.7G336 F337 A339 L358 C367 K368 F369 V399 F421G336-M401 CarbonylContact C-O 3.6Å; G336-M401 VanDerWaalsContact CA-O 3.26Å; G336-M401 WeakPolarHBondContact CA-O 3.46Å; F337-M401 HydrophobicContact CD2-CB 4Å; F337-M401 HydrophobicContact CD2-CG 4.47Å; F337-M401 HydrophobicContact CE1-CB 4.19Å; F337-M401 HydrophobicContact CE2-CB 3.59Å; F337-M401 HydrophobicContact CE2-CG 3.99Å; F337-M401 HydrophobicContact CE2-SD 3.64Å; F337-M401 HydrophobicContact CG-CB 4.47Å; F337-M401 HydrophobicContact CZ-CB 3.69Å; F337-M401 HydrophobicContact CZ-CG 4.44Å; F337-M401 HydrophobicContact CZ-SD 4.15Å; F337-M401 PolarHBondContact N-O 2.78Å; F337-M401 PolarHBondContact O-N 3.15Å; A339-M401 HydrophobicContact CB-SD 4.25Å; L358-M401 HydrophobicContact CD1-CE 3.81Å; L358-M401 HydrophobicContact CD2-CE 3.54Å; L358-M401 HydrophobicContact CD2-SD 4.11Å; L358-M401 HydrophobicContact CG-CE 4.25Å; C367-M401 HydrophobicContact CB-CE 4.07Å; K368-M401 CarbonylContact O-C 3.55Å; K368-M401 VanDerWaalsContact O-CA 3.26Å; K368-M401 WeakPolarHBondContact O-CA 3.22Å; F369-M401 HydrophobicContact CD2-CE 3.54Å; F369-M401 HydrophobicContact CE2-CE 3.21Å; F369-M401 HydrophobicContact CE2-SD 4.46Å; F369-M401 HydrophobicContact CG-CE 4.35Å; F369-M401 HydrophobicContact CZ-CE 3.8Å; V399-M401 HydrophobicContact CB-CG 4.42Å; V399-M401 HydrophobicContact CG1-CG 3.8Å; M401-F421 HydrophobicContact CE-CE2 4.49Å; M401-F421 HydrophobicContact SD-CE2 3.99Å; M401-F421 HydrophobicContact SD-CZ 3.73Å
402V97.3Very high94Very high65 Ų6533.8 Ų33.839%0.39420%0.202SC..EExtended strand (participates in β ladder)trans-122.2118.6178.9179.10000109.3C367 K368 A370C367-V402 CarbonylContact C-O 3.59Å; C367-V402 WeakPolarHBondContact CA-O 3.21Å; K368-V402 PolarHBondContact N-O 3.24Å; K368-V402 PolarHBondContact O-N 2.95Å; A370-V402 HydrophobicContact CB-CG2 3.9Å
403P96.7Very high93.7Very high18 Ų1832 Ų3212%0.11720%0.203CC..EExtended strand (participates in β ladder)trans-61.6134173.7-2030.4000112.2F337 I365 K405 M407F337-P403 HydrophobicContact CD1-CG 4.35Å; F337-P403 HydrophobicContact CE1-CG 3.98Å; I365-P403 HydrophobicContact CG2-CB 4.44Å; P403-K405 VanDerWaalsContact C-N 3.28Å; P403-K405 VanDerWaalsContact CB-O 3.23Å; P403-K405 WeakPolarHBondContact CB-O 3.26Å; P403-K405 PolarHBondContact O-N 3.39Å; P403-M407 HydrophobicContact CB-CB 3.92Å; P403-M407 HydrophobicContact CB-SD 4.49Å; P403-M407 HydrophobicContact CG-CB 4.04Å; P403-M407 HydrophobicContact CG-SD 4.42Å
404G94.9Very high93.8Very high64 Ų6433.7 Ų33.766%0.6621%0.209SC*.SBendtrans-77.3-13.4173.400000113.8A366A366-G404 PolarHBondContact O-N 2.81Å
405K95.3Very high94.2Very high144 Ų14432.3 Ų32.363%0.62619%0.191SC*.SBendtrans-137.5156.7173.7-67.2-177.2-178.51770109I365 P403 M407I365-K405 HydrophobicContact CG2-CB 4.13Å; P403-K405 VanDerWaalsContact C-N 3.28Å; P403-K405 VanDerWaalsContact CB-O 3.23Å; P403-K405 WeakPolarHBondContact CB-O 3.26Å; P403-K405 PolarHBondContact O-N 3.39Å; K405-M407 PolarHBondContact O-N 3.48Å
406P95.4Very high94.1Very high62 Ų6232.9 Ų32.940%0.40320%0.195SC..  trans-51.6126.1176.5-28.135.4000111.2P279 E333 I365P279-P406 HydrophobicContact CB-CB 3.93Å; P279-P406 HydrophobicContact CG-CB 3.68Å; P279-P406 WeakPolarHBondContact CG-O 3.48Å; E333-P406 HydrophobicContact CG-CB 4.32Å; I365-P406 WeakPolarHBondContact CD1-O 3.4Å
407M95.6Very high93.9Very high2 Ų234.2 Ų34.21%0.0120%0.204CC..  trans-137.2146.2-174.9-173.9174.7-168.700109.5E333 A334 C360 A363 I365 P403 K405 V409E333-M407 WeakPolarHBondContact CA-O 3.18Å; A334-M407 PolarHBondContact N-O 3.32Å; C360-M407 HydrophobicContact CB-CE 3.55Å; A363-M407 HydrophobicContact CB-CE 4.19Å; I365-M407 HydrophobicContact CB-SD 4.17Å; I365-M407 HydrophobicContact CD1-CB 3.65Å; I365-M407 HydrophobicContact CD1-CG 3.8Å; I365-M407 HydrophobicContact CD1-SD 4.35Å; I365-M407 HydrophobicContact CG2-SD 4.37Å; P403-M407 HydrophobicContact CB-CB 3.92Å; P403-M407 HydrophobicContact CB-SD 4.49Å; P403-M407 HydrophobicContact CG-CB 4.04Å; P403-M407 HydrophobicContact CG-SD 4.42Å; K405-M407 PolarHBondContact O-N 3.48Å; M407-V409 HydrophobicContact CE-CG1 3.47Å; M407-V409 VanDerWaalsContact CE-CG1 3.47Å; M407-V409 HydrophobicContact CG-CG1 3.99Å; M407-V409 HydrophobicContact SD-CG1 3.94Å
408C96.6Very high93.8Very high0 Ų034.2 Ų34.20%020%0.204CC..  trans-111.5124.9168.4-178.40000108.4A278 V322 M332 H361A278-C408 HydrophobicContact CB-CB 3.83Å; V322-C408 HydrophobicContact CB-CB 4.26Å; V322-C408 HydrophobicContact CG2-CB 3.94Å; M332-C408 PolarHBondContact O-SG 2.83Å; H361-C408 PolarHBondContact NE2-O 2.83Å
409V96.7Very high93.6Very high1 Ų132.9 Ų32.91%0.00620%0.197CC..  trans-142.7162.2174.5-70.30000108.7A334 F337 C360 M407 I435 V438A334-V409 HydrophobicContact CB-CG2 3.62Å; F337-V409 HydrophobicContact CD1-CG2 3.81Å; F337-V409 HydrophobicContact CE1-CG2 4.24Å; F337-V409 HydrophobicContact CG-CG2 4.22Å; C360-V409 HydrophobicContact CB-CG1 4.43Å; M407-V409 HydrophobicContact CE-CG1 3.47Å; M407-V409 VanDerWaalsContact CE-CG1 3.47Å; M407-V409 HydrophobicContact CG-CG1 3.99Å; M407-V409 HydrophobicContact SD-CG1 3.94Å; V409-I435 HydrophobicContact CB-CD1 3.49Å; V409-I435 VanDerWaalsContact CB-CD1 3.49Å; V409-I435 HydrophobicContact CG1-CD1 3.87Å; V409-I435 HydrophobicContact CG2-CD1 3.81Å; V409-V438 HydrophobicContact CG2-CG1 4.19Å; V409-V438 HydrophobicContact CG2-CG2 4.09Å
410E96.1Very high93.2Very high2 Ų234.7 Ų34.71%0.00920%0.204CC..  trans-132.4162.4-178.4-65.1-70.5-174.600110.5R244 Y415 L418 G419 I435 K440R244-E410 IonicContact CZ-OE1 2.94Å; R244-E410 VanDerWaalsContact CZ-OE1 3.27Å; R244-E410 IonicContact NE-OE1 2.84Å; R244-E410 PolarHBondContact NE-OE1 3.05Å; R244-E410 IonicContact NH2-OE1 3.76Å; R244-E410 PolarHBondContact NH2-OE1 2.8Å; E410-Y415 HydrophobicContact CB-CD2 3.76Å; E410-Y415 HydrophobicContact CB-CG 4.14Å; E410-Y415 HydrophobicContact CG-CD2 3.69Å; E410-Y415 HydrophobicContact CG-CE2 4.48Å; E410-Y415 HydrophobicContact CG-CG 4.08Å; E410-L418 HydrophobicContact CB-CB 3.93Å; E410-L418 HydrophobicContact CG-CB 4.02Å; E410-L418 HydrophobicContact CG-CD2 3.9Å; E410-L418 PolarHBondContact N-O 3.03Å; E410-G419 WeakPolarHBondContact O-CA 3.43Å; E410-I435 WeakPolarHBondContact O-CB 3.32Å; E410-I435 WeakPolarHBondContact O-CG2 3.04Å; E410-K440 IonicContact OE1-NZ 3.81Å; E410-K440 PolarHBondContact OE1-NZ 3.37Å; E410-K440 WeakPolarHBondContact OE2-CE 3.47Å; E410-K440 IonicContact OE2-NZ 3.85Å; E410-K440 PolarHBondContact OE2-NZ 2.7Å
411S94.7Very high92.8Very high11 Ų1133.3 Ų33.38%0.07720%0.197CC..  trans-61.8139.2168.6178.70000110.5S413 D414 Y415 K436S411-S413 PolarHBondContact O-N 3.27Å; S411-S413 PolarHBondContact OG-N 3.41Å; S411-S413 PolarHBondContact OG-OG 3.36Å; S411-D414 PolarHBondContact O-N 2.73Å; S411-D414 VanDerWaalsContact O-N 3.15Å; S411-Y415 PolarHBondContact O-N 2.88Å; S411-K436 PolarHBondContact OG-O 2.83Å
412F89.4Confident92.3Very high57 Ų5733.2 Ų33.225%0.2520%0.196CC..THydrogen-bonded Turntrans-59.3-33.2175.4176.3-81.4000112.7D414 P416 R420 V434 I435F412-D414 VanDerWaalsContact C-N 3.26Å; F412-D414 PolarHBondContact O-N 2.78Å; F412-P416 VanDerWaalsContact O-CA 3.32Å; F412-P416 WeakPolarHBondContact O-CA 3.44Å; F412-P416 WeakPolarHBondContact O-CD 3.45Å; F412-P416 VanDerWaalsContact O-CG 3.24Å; F412-P416 WeakPolarHBondContact O-CG 3.47Å; F412-R420 HydrophobicContact CD2-CG 3.57Å; F412-R420 HydrophobicContact CE2-CG 3.62Å; F412-R420 VanDerWaalsContact CZ-NH2 3.34Å; F412-V434 HydrophobicContact CB-CB 4.27Å; F412-V434 HydrophobicContact CD2-CB 3.87Å; F412-V434 HydrophobicContact CD2-CG1 3.63Å; F412-V434 HydrophobicContact CE2-CB 4.42Å; F412-V434 HydrophobicContact CE2-CG1 3.75Å; F412-V434 HydrophobicContact CG-CB 4.2Å; F412-V434 HydrophobicContact CG-CG1 4.41Å; F412-I435 WeakPolarHBondContact CB-O 3.25Å; F412-I435 PolarHBondContact N-O 3.12Å
413S86.3Confident92Very high76 Ų7630.1 Ų30.153%0.53118%0.178SC..THydrogen-bonded Turntrans-62.4-39178.353.90000111.5S411S411-S413 PolarHBondContact O-N 3.27Å; S411-S413 PolarHBondContact OG-N 3.41Å; S411-S413 PolarHBondContact OG-OG 3.36Å
414D90.2Very high91.4Very high84 Ų8430.7 Ų30.745%0.44918%0.177SC..THydrogen-bonded Turntrans-91.4-49.6-167.7-53-17.8000109.5K241 S411 F412K241-D414 WeakPolarHBondContact CD-O 3.32Å; K241-D414 PolarHBondContact NZ-O 3.18Å; S411-D414 PolarHBondContact O-N 2.73Å; S411-D414 VanDerWaalsContact O-N 3.15Å; F412-D414 VanDerWaalsContact C-N 3.26Å; F412-D414 PolarHBondContact O-N 2.78Å
415Y91.5Very high90.9Very high11 Ų1130 Ų304%0.04316%0.159CC..  trans-132.578.9179.7-56.5-82.9000110.3P242 R244 T266 D329 E410 S411 P417 L418 G419P242-Y415 HydrophobicContact CB-CE1 4.43Å; P242-Y415 VanDerWaalsContact CB-OH 3.29Å; P242-Y415 WeakPolarHBondContact CB-OH 3.4Å; P242-Y415 WeakPolarHBondContact CD-OH 3.37Å; P242-Y415 WeakPolarHBondContact CG-OH 3.42Å; R244-Y415 HydrophobicContact CB-CD1 4.45Å; R244-Y415 HydrophobicContact CG-CD1 3.5Å; R244-Y415 VanDerWaalsContact CG-CD1 3.5Å; R244-Y415 HydrophobicContact CG-CE1 3.72Å; R244-Y415 HydrophobicContact CG-CG 4.06Å; T266-Y415 HydrophobicContact CG2-CD1 3.93Å; T266-Y415 WeakPolarHBondContact OG1-CD1 3.23Å; D329-Y415 WeakPolarHBondContact OD2-CE2 3.19Å; D329-Y415 PolarHBondContact OD2-OH 3.38Å; E410-Y415 HydrophobicContact CB-CD2 3.76Å; E410-Y415 HydrophobicContact CB-CG 4.14Å; E410-Y415 HydrophobicContact CG-CD2 3.69Å; E410-Y415 HydrophobicContact CG-CE2 4.48Å; E410-Y415 HydrophobicContact CG-CG 4.08Å; S411-Y415 PolarHBondContact O-N 2.88Å; Y415-P417 VanDerWaalsContact C-CD 3.4Å; Y415-P417 VanDerWaalsContact C-N 3.31Å; Y415-P417 VanDerWaalsContact O-N 3.13Å; Y415-L418 PolarHBondContact O-N 3.44Å; Y415-G419 PolarHBondContact O-N 3.34Å; Y415-G419 VanDerWaalsContact O-N 3.12Å
416P86.8Confident89.8Confident32 Ų3230.9 Ų30.921%0.20817%0.167CC..G310 helixtrans-50.8-39.5-175.3-19.723.5000115.3F412 L418 G419 R420F412-P416 VanDerWaalsContact O-CA 3.32Å; F412-P416 WeakPolarHBondContact O-CA 3.44Å; F412-P416 WeakPolarHBondContact O-CD 3.45Å; F412-P416 VanDerWaalsContact O-CG 3.24Å; F412-P416 WeakPolarHBondContact O-CG 3.47Å; P416-L418 PolarHBondContact O-N 3.16Å; P416-G419 PolarHBondContact O-N 3.01Å; P416-R420 VanDerWaalsContact O-CD 3.31Å; P416-R420 WeakPolarHBondContact O-CD 3.31Å; P416-R420 WeakPolarHBondContact O-CG 3.45Å; P416-R420 PolarHBondContact O-NE 2.93Å
417P86.4Confident88.6Confident29 Ų2938.2 Ų38.219%0.18819%0.186CC..G310 helixtrans-65.1-23.7178.4-24.336.9000114.7E265 Y415E265-P417 HydrophobicContact CB-CB 3.94Å; E265-P417 HydrophobicContact CB-CG 4.06Å; E265-P417 HydrophobicContact CG-CB 3.8Å; E265-P417 HydrophobicContact CG-CG 4.38Å; E265-P417 WeakPolarHBondContact OE2-CB 3.28Å; E265-P417 VanDerWaalsContact OE2-CG 3.27Å; E265-P417 WeakPolarHBondContact OE2-CG 3.31Å; Y415-P417 VanDerWaalsContact C-CD 3.4Å; Y415-P417 VanDerWaalsContact C-N 3.31Å; Y415-P417 VanDerWaalsContact O-N 3.13Å
418L92.4Very high87.5Confident0 Ų042.4 Ų42.40%021%0.206CC..G310 helixtrans-101.5-6.1178.9-7873.3000113.1R244 P246 E265 V322 C360 E410 Y415 P416R244-L418 HydrophobicContact CB-CD1 4.02Å; R244-L418 HydrophobicContact CB-CD2 4.17Å; R244-L418 HydrophobicContact CG-CD2 4.16Å; P246-L418 HydrophobicContact CG-CD1 3.86Å; P246-L418 HydrophobicContact CG-CG 4.25Å; E265-L418 HydrophobicContact CB-CD1 4.23Å; E265-L418 HydrophobicContact CG-CD1 4.31Å; V322-L418 HydrophobicContact CB-CD2 4.45Å; V322-L418 HydrophobicContact CG1-CD2 3.7Å; V322-L418 HydrophobicContact CG2-CD2 3.92Å; C360-L418 PolarHBondContact SG-O 3.32Å; C360-L418 VanDerWaalsContact SG-O 3.33Å; E410-L418 HydrophobicContact CB-CB 3.93Å; E410-L418 HydrophobicContact CG-CB 4.02Å; E410-L418 HydrophobicContact CG-CD2 3.9Å; E410-L418 PolarHBondContact N-O 3.03Å; Y415-L418 PolarHBondContact O-N 3.44Å; P416-L418 PolarHBondContact O-N 3.16Å
419G91.2Very high86.7Confident0 Ų042.6 Ų42.60%021%0.207CC..SBendtrans-103.44.7-179.200000114.6E410 Y415 P416 V434 I435E410-G419 WeakPolarHBondContact O-CA 3.43Å; Y415-G419 PolarHBondContact O-N 3.34Å; Y415-G419 VanDerWaalsContact O-N 3.12Å; P416-G419 PolarHBondContact O-N 3.01Å; G419-V434 CarbonylContact O-C 3.58Å; G419-V434 VanDerWaalsContact O-CA 3.31Å; G419-V434 WeakPolarHBondContact O-CA 3.41Å; G419-I435 PolarHBondContact O-N 2.98Å
420R88.6Confident86.3Confident38 Ų3842.7 Ų42.714%0.14321%0.208CC..EExtended strand (participates in β ladder)trans-109.4135.6178.5-65.5159.6-172.4-179.83.4109.2L140 C360 F412 P416 V434L140-R420 VanDerWaalsContact C-NH1 3.34Å; L140-R420 HydrophobicContact CD2-CB 4.09Å; L140-R420 WeakPolarHBondContact O-CD 3.36Å; L140-R420 VanDerWaalsContact O-CZ 3.26Å; L140-R420 PolarHBondContact O-NH1 3.47Å; C360-R420 PolarHBondContact SG-O 3.39Å; F412-R420 HydrophobicContact CD2-CG 3.57Å; F412-R420 HydrophobicContact CE2-CG 3.62Å; F412-R420 VanDerWaalsContact CZ-NH2 3.34Å; P416-R420 VanDerWaalsContact O-CD 3.31Å; P416-R420 WeakPolarHBondContact O-CD 3.31Å; P416-R420 WeakPolarHBondContact O-CG 3.45Å; P416-R420 PolarHBondContact O-NE 2.93Å; R420-V434 HydrophobicContact CG-CG1 4.36Å
421F89.9Confident86Confident2 Ų242.6 Ų42.61%0.00921%0.207CC..EExtended strand (participates in β ladder)trans-145157.1177.263.8-89.8000112.2F337 A339 V341 L358 D359 C360 M401 V423 G433 I435F337-F421 HydrophobicContact CE2-CE1 4.13Å; F337-F421 HydrophobicContact CE2-CZ 4.31Å; A339-F421 HydrophobicContact CB-CE1 3.5Å; A339-F421 VanDerWaalsContact CB-CE1 3.5Å; A339-F421 HydrophobicContact CB-CZ 3.46Å; A339-F421 VanDerWaalsContact CB-CZ 3.46Å; V341-F421 HydrophobicContact CG1-CE2 4.07Å; V341-F421 HydrophobicContact CG1-CZ 3.82Å; L358-F421 HydrophobicContact CD2-CD2 3.53Å; L358-F421 HydrophobicContact CD2-CE2 3.7Å; L358-F421 HydrophobicContact CD2-CG 4.06Å; L358-F421 HydrophobicContact CD2-CZ 4.35Å; L358-F421 HydrophobicContact CG-CD2 3.75Å; L358-F421 HydrophobicContact CG-CE2 4.18Å; L358-F421 HydrophobicContact CG-CG 4.48Å; D359-F421 CarbonylContact O-C 3.56Å; D359-F421 WeakPolarHBondContact O-CA 3.23Å; D359-F421 WeakPolarHBondContact O-CB 3.48Å; C360-F421 HydrophobicContact CB-CB 3.74Å; M401-F421 HydrophobicContact CE-CE2 4.49Å; M401-F421 HydrophobicContact SD-CE2 3.99Å; M401-F421 HydrophobicContact SD-CZ 3.73Å; F421-V423 HydrophobicContact CD2-CG2 3.84Å; F421-V423 HydrophobicContact CE2-CG2 3.62Å; F421-G433 PolarHBondContact N-O 3.2Å; F421-G433 PolarHBondContact O-N 3.44Å; F421-I435 HydrophobicContact CD1-CD1 4.15Å; F421-I435 HydrophobicContact CD1-CG1 3.72Å; F421-I435 HydrophobicContact CE1-CD1 4.41Å; F421-I435 HydrophobicContact CE1-CG1 3.61Å
422A86.3Confident85.6Confident0 Ų042 Ų420%020%0.203CC..EExtended strand (participates in β ladder)trans-112.5142168.200000109.9I100 L358 D359 T429 V432I100-A422 HydrophobicContact CD1-CB 3.23Å; I100-A422 HydrophobicContact CG1-CB 4.01Å; I100-A422 HydrophobicContact CG2-CB 4.05Å; L358-A422 CarbonylContact C-O 3.51Å; L358-A422 WeakPolarHBondContact CA-O 3.4Å; D359-A422 PolarHBondContact N-O 3.49Å; D359-A422 PolarHBondContact O-N 2.91Å; A422-T429 HydrophobicContact CB-CG2 4.23Å; A422-V432 HydrophobicContact CB-CG1 4.2Å
423V90.8Very high85.7Confident0 Ų039.4 Ų39.40%019%0.192CC..EExtended strand (participates in β ladder)trans-102.7123.6177.1-174.70000107.4P356 L358 F369 F421 T429 V430 A431P356-V423 HydrophobicContact CB-CG1 3.51Å; P356-V423 HydrophobicContact CG-CG1 3.2Å; L358-V423 HydrophobicContact CD1-CG1 4.22Å; L358-V423 HydrophobicContact CD1-CG2 4.14Å; L358-V423 HydrophobicContact CG-CG2 4.24Å; F369-V423 HydrophobicContact CE2-CG1 4.18Å; F369-V423 HydrophobicContact CZ-CG1 4.21Å; F369-V423 HydrophobicContact CZ-CG2 4.21Å; F421-V423 HydrophobicContact CD2-CG2 3.84Å; F421-V423 HydrophobicContact CE2-CG2 3.62Å; V423-T429 CarbonylContact O-C 3.55Å; V423-T429 WeakPolarHBondContact O-CA 3.47Å; V423-V430 HydrophobicContact CB-CG2 4.11Å; V423-V430 HydrophobicContact CG1-CG2 3.65Å; V423-V430 WeakPolarHBondContact O-CG2 3.34Å; V423-V430 PolarHBondContact O-N 3.38Å; V423-A431 HydrophobicContact CB-CB 3.87Å; V423-A431 HydrophobicContact CG2-CB 3.96Å; V423-A431 PolarHBondContact N-O 3.08Å; V423-A431 PolarHBondContact O-N 2.8Å
424R85.1Confident85.8Confident30 Ų3036.8 Ų36.811%0.11317%0.173CC..EExtended strand (participates in β ladder)trans-122.8138.3-178-49.8-162.995.3-138.38.4111.1K97 V357 D359 Q428 T429K97-R424 VanDerWaalsContact CB-CZ 3.49Å; V357-R424 PolarHBondContact N-O 3.46Å; V357-R424 VanDerWaalsContact N-O 3.08Å; V357-R424 PolarHBondContact O-N 2.87Å; D359-R424 WeakPolarHBondContact OD2-CD 3.28Å; R424-Q428 CarbonylContact C-O 3.59Å; R424-Q428 WeakPolarHBondContact CA-O 3.26Å; R424-T429 PolarHBondContact NE-OG1 2.84Å; R424-T429 PolarHBondContact NH2-OG1 3.33Å
425D83.3Confident86.1Confident50 Ų5032.8 Ų32.827%0.26715%0.152SC..EExtended strand (participates in β ladder)trans-148143.8175.6-168.57.8000109.5Y354 P356 R427 Q428 V430Y354-D425 VanDerWaalsContact CE2-OD2 3.31Å; Y354-D425 WeakPolarHBondContact CE2-OD2 3.44Å; Y354-D425 WeakPolarHBondContact OH-CB 3.49Å; Y354-D425 PolarHBondContact OH-OD2 3.14Å; P356-D425 HydrophobicContact CB-CB 4.4Å; D425-R427 PolarHBondContact O-N 3.24Å; D425-Q428 PolarHBondContact N-O 2.99Å; D425-Q428 PolarHBondContact O-N 3.42Å; D425-Q428 VanDerWaalsContact O-O 3.09Å; D425-V430 HydrophobicContact CB-CG1 3.99Å; D425-V430 HydrophobicContact CB-CG2 4.2Å
426M73Confident86.2Confident161 Ų16137.3 Ų37.379%0.79317%0.171SC*.THydrogen-bonded Turntrans45.338.6-177.3-58.4-171.1-179.700114.2Q428M426-Q428 PolarHBondContact O-N 2.94Å
427R69.9Low86.6Confident216 Ų21638.1 Ų38.182%0.81518%0.181SC*.THydrogen-bonded Turntrans68.35.3-176.3-52.9179.7176.6179.8-0.8116.1D425D425-R427 PolarHBondContact O-N 3.24Å
428Q72.6Confident87.1Confident91 Ų9138.2 Ų38.243%0.42518%0.181SC..EExtended strand (participates in β ladder)trans-105.9149.8176-62.7-175.8-0.600110.8R424 D425 M426 V430R424-Q428 CarbonylContact C-O 3.59Å; R424-Q428 WeakPolarHBondContact CA-O 3.26Å; D425-Q428 PolarHBondContact N-O 2.99Å; D425-Q428 PolarHBondContact O-N 3.42Å; D425-Q428 VanDerWaalsContact O-O 3.09Å; M426-Q428 PolarHBondContact O-N 2.94Å; Q428-V430 PolarHBondContact O-N 3.02Å
429T79.8Confident87.3Confident3 Ų343.5 Ų43.52%0.01821%0.209CC..EExtended strand (participates in β ladder)trans-83.6108.5170.2-57.90000108.1I96 I100 L344 A422 V423 R424 V432I96-T429 HydrophobicContact CG2-CG2 4.4Å; I96-T429 WeakPolarHBondContact CG2-OG1 3.43Å; I100-T429 HydrophobicContact CD1-CG2 4.2Å; L344-T429 HydrophobicContact CD1-CG2 4.06Å; A422-T429 HydrophobicContact CB-CG2 4.23Å; V423-T429 CarbonylContact O-C 3.55Å; V423-T429 WeakPolarHBondContact O-CA 3.47Å; R424-T429 PolarHBondContact NE-OG1 2.84Å; R424-T429 PolarHBondContact NH2-OG1 3.33Å; T429-V432 HydrophobicContact CG2-CG1 4.29Å
430V87.5Confident87.3Confident3 Ų346.4 Ų46.42%0.01822%0.222CC..EExtended strand (participates in β ladder)trans-93.7-25.2-173.1-63.60000112.4L344 H346 V423 D425 Q428L344-V430 PolarHBondContact N-O 3.19Å; H346-V430 HydrophobicContact CB-CB 4.3Å; V423-V430 HydrophobicContact CB-CG2 4.11Å; V423-V430 HydrophobicContact CG1-CG2 3.65Å; V423-V430 WeakPolarHBondContact O-CG2 3.34Å; V423-V430 PolarHBondContact O-N 3.38Å; D425-V430 HydrophobicContact CB-CG1 3.99Å; D425-V430 HydrophobicContact CB-CG2 4.2Å; Q428-V430 PolarHBondContact O-N 3.02Å
431A89.5Confident87.3Confident0 Ų049.4 Ų49.40%024%0.236CC..EExtended strand (participates in β ladder)trans-153.1164.2173.700000111.2I342 I343 V423I342-A431 WeakPolarHBondContact O-CA 3.45Å; I342-A431 VanDerWaalsContact O-CB 3.32Å; I342-A431 WeakPolarHBondContact O-CB 3.47Å; I343-A431 HydrophobicContact CD1-CB 3.72Å; V423-A431 HydrophobicContact CB-CB 3.87Å; V423-A431 HydrophobicContact CG2-CB 3.96Å; V423-A431 PolarHBondContact N-O 3.08Å; V423-A431 PolarHBondContact O-N 2.8Å
432V87.9Confident86.5Confident0 Ų053.6 Ų53.60%027%0.271CS..EExtended strand (participates in β ladder)trans-128.9150.2166.1-77.30000109.3L136 T139 V341 I342 L344 A422 T429L136-V432 HydrophobicContact CD2-CB 4.44Å; L136-V432 HydrophobicContact CD2-CG1 3.32Å; L136-V432 HydrophobicContact CD2-CG2 4.39Å; T139-V432 HydrophobicContact CG2-CB 3.88Å; T139-V432 HydrophobicContact CG2-CG2 3.7Å; V341-V432 CarbonylContact C-O 3.52Å; V341-V432 WeakPolarHBondContact CA-O 3.37Å; I342-V432 HydrophobicContact CB-CG2 4.4Å; I342-V432 PolarHBondContact N-O 2.65Å; I342-V432 PolarHBondContact O-N 3.08Å; L344-V432 HydrophobicContact CD1-CG1 4.23Å; L344-V432 HydrophobicContact CD1-CG2 4.26Å; L344-V432 HydrophobicContact CD2-CG2 4.32Å; L344-V432 HydrophobicContact CG-CG2 4.39Å; A422-V432 HydrophobicContact CB-CG1 4.2Å; T429-V432 HydrophobicContact CG2-CG1 4.29Å
433G90Very high85.4Confident1 Ų157.2 Ų57.21%0.0130%0.301CS..EExtended strand (participates in β ladder)trans-146.3158.4-176.200000114.5Q340 F421Q340-G433 CarbonylContact O-C 3.48Å; Q340-G433 WeakPolarHBondContact O-CA 3.45Å; F421-G433 PolarHBondContact N-O 3.2Å; F421-G433 PolarHBondContact O-N 3.44Å
434V90.3Very high84Confident21 Ų2159.7 Ų59.713%0.12733%0.326CS..EExtended strand (participates in β ladder)trans-122.9129171.1-63.50000109T139 A339 Q340 F412 G419 R420T139-V434 HydrophobicContact CG2-CG1 4.26Å; A339-V434 WeakPolarHBondContact CA-O 3.49Å; Q340-V434 HydrophobicContact CB-CG2 3.96Å; Q340-V434 PolarHBondContact N-O 3.33Å; Q340-V434 PolarHBondContact O-N 3.43Å; F412-V434 HydrophobicContact CB-CB 4.27Å; F412-V434 HydrophobicContact CD2-CB 3.87Å; F412-V434 HydrophobicContact CD2-CG1 3.63Å; F412-V434 HydrophobicContact CE2-CB 4.42Å; F412-V434 HydrophobicContact CE2-CG1 3.75Å; F412-V434 HydrophobicContact CG-CB 4.2Å; F412-V434 HydrophobicContact CG-CG1 4.41Å; G419-V434 CarbonylContact O-C 3.58Å; G419-V434 VanDerWaalsContact O-CA 3.31Å; G419-V434 WeakPolarHBondContact O-CA 3.41Å; R420-V434 HydrophobicContact CG-CG1 4.36Å
435I95.3Very high82.8Confident1 Ų163.9 Ų63.91%0.00537%0.367CS..EExtended strand (participates in β ladder)trans-74.7127.7-180-61.1177.9000108.5F337 V409 E410 F412 G419 F421 V438F337-I435 HydrophobicContact CB-CG2 4.16Å; F337-I435 HydrophobicContact CD2-CD1 4.04Å; F337-I435 HydrophobicContact CD2-CG1 3.92Å; F337-I435 HydrophobicContact CD2-CG2 4.36Å; F337-I435 HydrophobicContact CE2-CD1 4.19Å; F337-I435 HydrophobicContact CE2-CG1 4.18Å; F337-I435 HydrophobicContact CG-CD1 4.43Å; V409-I435 HydrophobicContact CB-CD1 3.49Å; V409-I435 VanDerWaalsContact CB-CD1 3.49Å; V409-I435 HydrophobicContact CG1-CD1 3.87Å; V409-I435 HydrophobicContact CG2-CD1 3.81Å; E410-I435 WeakPolarHBondContact O-CB 3.32Å; E410-I435 WeakPolarHBondContact O-CG2 3.04Å; F412-I435 WeakPolarHBondContact CB-O 3.25Å; F412-I435 PolarHBondContact N-O 3.12Å; G419-I435 PolarHBondContact O-N 2.98Å; F421-I435 HydrophobicContact CD1-CD1 4.15Å; F421-I435 HydrophobicContact CD1-CG1 3.72Å; F421-I435 HydrophobicContact CE1-CD1 4.41Å; F421-I435 HydrophobicContact CE1-CG1 3.61Å; I435-V438 HydrophobicContact CG2-CG2 3.46Å; I435-V438 VanDerWaalsContact CG2-CG2 3.46Å
436K93.7Very high82.3Confident105 Ų10562.6 Ų62.646%0.45737%0.366SS..EExtended strand (participates in β ladder)trans-96.7-38.1179.3-65.4-67-174174.50111.9T338 Q340 S411T338-K436 PolarHBondContact O-N 3.34Å; Q340-K436 HydrophobicContact CB-CG 4.32Å; S411-K436 PolarHBondContact OG-O 2.83Å
437A96.1Very high82.7Confident49 Ų4960.2 Ų60.241%0.40535%0.351SS..EExtended strand (participates in β ladder)trans-151.1147.5-179.700000109.5F337 T338F337-A437 CarbonylContact C-O 3.43Å; F337-A437 WeakPolarHBondContact CA-O 3.13Å; F337-A437 VanDerWaalsContact CB-O 3.31Å; F337-A437 WeakPolarHBondContact CB-O 3.24Å; T338-A437 PolarHBondContact N-O 3.01Å; T338-A437 PolarHBondContact O-N 2.79Å
438V96.6Very high83.4Confident32 Ų3252.5 Ų52.519%0.19433%0.328CS..EExtended strand (participates in β ladder)trans-125.5128.2177.6-1780000108.2A334 F337 V409 I435 K440A334-V438 HydrophobicContact CB-CG1 3.6Å; F337-V438 HydrophobicContact CB-CB 4.4Å; F337-V438 HydrophobicContact CB-CG1 4.44Å; F337-V438 HydrophobicContact CB-CG2 4.06Å; V409-V438 HydrophobicContact CG2-CG1 4.19Å; V409-V438 HydrophobicContact CG2-CG2 4.09Å; I435-V438 HydrophobicContact CG2-CG2 3.46Å; I435-V438 VanDerWaalsContact CG2-CG2 3.46Å; V438-K440 HydrophobicContact CG1-CG 4.17Å; V438-K440 PolarHBondContact O-N 3.05Å
439D95.2Very high83.9Confident110 Ų11048.5 Ų48.559%0.58831%0.31SS*.EExtended strand (participates in β ladder)trans-82.9100.1166.2-175.915.3000108.4A335 G336 K441A335-D439 PolarHBondContact N-O 2.78Å; G336-D439 PolarHBondContact O-N 3.31Å; D439-K441 PolarHBondContact O-N 3.18Å
440K92.6Very high84Confident61 Ų6156 Ų5627%0.26534%0.342SS..EExtended strand (participates in β ladder)trans-77.9120.4-179.5-69.8-176.2176.9-173.90108.6D329 M332 E410 V438 A442D329-K440 IonicContact OD1-NZ 3.63Å; M332-K440 HydrophobicContact CB-CB 4.22Å; M332-K440 HydrophobicContact CB-CD 4.15Å; M332-K440 HydrophobicContact CB-CG 4.3Å; M332-K440 HydrophobicContact CE-CB 4.24Å; M332-K440 HydrophobicContact CG-CD 4.5Å; M332-K440 HydrophobicContact SD-CB 4.33Å; M332-K440 HydrophobicContact SD-CD 4.15Å; E410-K440 IonicContact OE1-NZ 3.81Å; E410-K440 PolarHBondContact OE1-NZ 3.37Å; E410-K440 WeakPolarHBondContact OE2-CE 3.47Å; E410-K440 IonicContact OE2-NZ 3.85Å; E410-K440 PolarHBondContact OE2-NZ 2.7Å; V438-K440 HydrophobicContact CG1-CG 4.17Å; V438-K440 PolarHBondContact O-N 3.05Å; K440-A442 PolarHBondContact O-N 3.39Å
441K88.9Confident83.6Confident102 Ų10256.2 Ų56.244%0.44334%0.344SS..PPolyproline II helixtrans-62.6127.4176.6-166.6-178.6-176.8-179.70109.3M332 E333 A335 D439 A443M332-K441 WeakPolarHBondContact CE-O 3.36Å; E333-K441 HydrophobicContact CB-CB 4.29Å; E333-K441 HydrophobicContact CB-CD 4.46Å; E333-K441 HydrophobicContact CG-CD 4.23Å; E333-K441 WeakPolarHBondContact O-CB 3.35Å; E333-K441 PolarHBondContact O-N 3.38Å; E333-K441 IonicContact OE1-NZ 2.72Å; E333-K441 PolarHBondContact OE1-NZ 3.19Å; E333-K441 VanDerWaalsContact OE1-NZ 3.08Å; E333-K441 VanDerWaalsContact OE2-CD 3.28Å; E333-K441 WeakPolarHBondContact OE2-CD 3.23Å; E333-K441 IonicContact OE2-NZ 3.47Å; E333-K441 PolarHBondContact OE2-NZ 3.47Å; A335-K441 HydrophobicContact CB-CB 4.21Å; D439-K441 PolarHBondContact O-N 3.18Å; K441-A443 PolarHBondContact O-N 3.44Å
442A73.1Confident83.1Confident90 Ų9056.2 Ų56.274%0.74434%0.344SS*.PPolyproline II helixtrans-47.7132-179.500000111.1K440 G444K440-A442 PolarHBondContact O-N 3.39Å; A442-G444 PolarHBondContact O-N 3.46Å
443A62.8Low82.8Confident76 Ų7660.7 Ų60.763%0.62837%0.365SS*.  trans-63.1104-178.100000109.5M332 K441M332-A443 HydrophobicContact CE-CB 3.97Å; K441-A443 PolarHBondContact O-N 3.44Å
444G61.6Low82.3Confident52 Ų5268.2 Ų68.254%0.53640%0.397SS..  trans-64.9170.5165.400000111N281 A442 G446N281-G444 PolarHBondContact ND2-O 2.93Å; A442-G444 PolarHBondContact O-N 3.46Å; G444-G446 PolarHBondContact O-N 3.01Å
445A60.2Low81.7Confident117 Ų11768.3 Ų68.397%0.96740%0.4SS*.  trans-63.397173.300000110.3
446G71Confident81Confident24 Ų2472.4 Ų72.425%0.24742%0.419CS..  trans-72.3159.7176.700000112.5N281 G444 V448N281-G446 WeakPolarHBondContact ND2-CA 3.11Å; N281-G446 PolarHBondContact ND2-N 3.17Å; N281-G446 CarbonylContact O-C 3.31Å; N281-G446 WeakPolarHBondContact O-CA 3.27Å; G444-G446 PolarHBondContact O-N 3.01Å; G446-V448 PolarHBondContact O-N 2.96Å
447K82.6Confident80Confident110 Ų11076 Ų7648%0.47844%0.435SS..EExtended strand (participates in β ladder)trans-70.7103.5174.3180-175.9173.7-173.20109N281 V282 T283 D316N281-K447 PolarHBondContact O-N 2.74Å; N281-K447 VanDerWaalsContact O-N 3.07Å; V282-K447 WeakPolarHBondContact CA-O 3.35Å; V282-K447 HydrophobicContact CG2-CB 4.42Å; T283-K447 PolarHBondContact N-O 3.27Å; D316-K447 IonicContact OD2-NZ 2.64Å; D316-K447 PolarHBondContact OD2-NZ 3.43Å
448V84.2Confident78.3Confident55 Ų5577.8 Ų77.833%0.33345%0.45SS..EExtended strand (participates in β ladder)trans-89.5118.7172-169.80000109.3T283 G446 A452 Q453T283-V448 HydrophobicContact CG2-CG1 4.45Å; G446-V448 PolarHBondContact O-N 2.96Å; V448-A452 HydrophobicContact CG1-CB 3.76Å; V448-Q453 HydrophobicContact CB-CG 4.43Å; V448-Q453 HydrophobicContact CG1-CG 3.79Å
449T83.8Confident76Confident6 Ų687.1 Ų87.14%0.03749%0.488CS..  trans-69.4154.9179.961.20000112T283 T284 N311 V312 S451 A452 Q453T283-T449 WeakPolarHBondContact O-CB 3.31Å; T283-T449 VanDerWaalsContact O-CG2 3.32Å; T283-T449 WeakPolarHBondContact O-CG2 3.48Å; T283-T449 PolarHBondContact O-N 3.05Å; T283-T449 PolarHBondContact O-OG1 3.3Å; T284-T449 VanDerWaalsContact CA-OG1 3.31Å; T284-T449 WeakPolarHBondContact CA-OG1 3.22Å; T284-T449 PolarHBondContact OG1-OG1 3.27Å; N311-T449 HydrophobicContact CB-CG2 3.95Å; V312-T449 HydrophobicContact CG2-CG2 3.99Å; T449-S451 PolarHBondContact O-N 3.09Å; T449-S451 PolarHBondContact OG1-OG 2.95Å; T449-A452 PolarHBondContact O-N 2.85Å; T449-A452 PolarHBondContact OG1-N 2.88Å; T449-Q453 WeakPolarHBondContact O-CG 3.25Å; T449-Q453 PolarHBondContact O-N 2.86Å
450K82Confident75Confident160 Ų16086 Ų8670%0.69648%0.483SS*.Hα-helixtrans-55.4-33.8174.4-68-176.3179.6-179.50112.6K454K450-K454 WeakPolarHBondContact O-CG 3.2Å; K450-K454 PolarHBondContact O-N 3.41Å; K450-K454 VanDerWaalsContact O-N 3.08Å
451S79.1Confident74.1Confident9 Ų987.3 Ų87.36%0.06349%0.494CS..Hα-helixtrans-64.5-49.1174.925.90000111.7N311 T449 Q453 K454 A455N311-S451 PolarHBondContact ND2-OG 3.23Å; T449-S451 PolarHBondContact O-N 3.09Å; T449-S451 PolarHBondContact OG1-OG 2.95Å; S451-Q453 PolarHBondContact O-N 3.4Å; S451-K454 PolarHBondContact O-N 3.32Å; S451-A455 WeakPolarHBondContact O-CB 3.37Å; S451-A455 PolarHBondContact O-N 2.8Å
452A78.2Confident73.3Confident0 Ų086.5 Ų86.50%050%0.497CS..Hα-helixtrans-60.7-43.8175.600000112.1V274 T283 V448 T449 K454 A455 Q456V274-A452 HydrophobicContact CG1-CB 3.78Å; T283-A452 HydrophobicContact CG2-CB 3.93Å; V448-A452 HydrophobicContact CG1-CB 3.76Å; T449-A452 PolarHBondContact O-N 2.85Å; T449-A452 PolarHBondContact OG1-N 2.88Å; A452-K454 VanDerWaalsContact C-N 3.31Å; A452-K454 PolarHBondContact O-N 3.49Å; A452-A455 PolarHBondContact O-N 3.13Å; A452-Q456 WeakPolarHBondContact O-CB 3.34Å; A452-Q456 WeakPolarHBondContact O-CG 3.2Å; A452-Q456 PolarHBondContact O-N 3.19Å
453Q81.9Confident73.3Confident94 Ų9486.3 Ų86.344%0.43948%0.482SS..Hα-helixtrans-59-41.4176.8-69.4175.3-17.900112.2V448 T449 S451 K457V448-Q453 HydrophobicContact CB-CG 4.43Å; V448-Q453 HydrophobicContact CG1-CG 3.79Å; T449-Q453 WeakPolarHBondContact O-CG 3.25Å; T449-Q453 PolarHBondContact O-N 2.86Å; S451-Q453 PolarHBondContact O-N 3.4Å; Q453-K457 WeakPolarHBondContact O-CG 3.23Å; Q453-K457 PolarHBondContact O-N 2.87Å
454K79.2Confident73.9Confident159 Ų15986.9 Ų86.969%0.69147%0.473SS*.Hα-helixtrans-66.4-46.5175.8-76.5-176.7177.7-169.40111.8K450 S451 A452 Q456 K457 A458K450-K454 WeakPolarHBondContact O-CG 3.2Å; K450-K454 PolarHBondContact O-N 3.41Å; K450-K454 VanDerWaalsContact O-N 3.08Å; S451-K454 PolarHBondContact O-N 3.32Å; A452-K454 VanDerWaalsContact C-N 3.31Å; A452-K454 PolarHBondContact O-N 3.49Å; K454-Q456 VanDerWaalsContact C-N 3.28Å; K454-Q456 PolarHBondContact O-N 3.09Å; K454-K457 PolarHBondContact O-N 2.88Å; K454-K457 VanDerWaalsContact O-N 3.15Å; K454-A458 WeakPolarHBondContact O-CB 3.35Å; K454-A458 PolarHBondContact O-N 2.82Å; K454-A458 VanDerWaalsContact O-N 3.13Å
455A78.5Confident74.8Confident22 Ų2289.3 Ų89.318%0.18247%0.469CS..Hα-helixtrans-64.7-31.7179.800000112.8V274 E285 S451 A452V274-A455 HydrophobicContact CG2-CB 3.68Å; E285-A455 HydrophobicContact CG-CB 4.17Å; S451-A455 WeakPolarHBondContact O-CB 3.37Å; S451-A455 PolarHBondContact O-N 2.8Å; A452-A455 PolarHBondContact O-N 3.13Å
456Q79.1Confident75.8Confident88 Ų8887.3 Ų87.341%0.41143%0.433SS..Hα-helixtrans-72.5-29.2174.1-75.1175.3-18.200113.1A452 K454A452-Q456 WeakPolarHBondContact O-CB 3.34Å; A452-Q456 WeakPolarHBondContact O-CG 3.2Å; A452-Q456 PolarHBondContact O-N 3.19Å; K454-Q456 VanDerWaalsContact C-N 3.28Å; K454-Q456 PolarHBondContact O-N 3.09Å
457K73.7Confident76.2Confident181 Ų18192.2 Ų92.279%0.78745%0.448SS*.Hα-helixtrans-86.1-13.8178.3-73-179.2177.8-170.50114.6Q453 K454 K459Q453-K457 WeakPolarHBondContact O-CG 3.23Å; Q453-K457 PolarHBondContact O-N 2.87Å; K454-K457 PolarHBondContact O-N 2.88Å; K454-K457 VanDerWaalsContact O-N 3.15Å; K457-K459 VanDerWaalsContact C-N 3.34Å
458A60.5Low75.6Confident86 Ų8690.7 Ų90.771%0.71145%0.445SS*.  trans-92.17.6-175.500000113.8K454K454-A458 WeakPolarHBondContact O-CB 3.35Å; K454-A458 PolarHBondContact O-N 2.82Å; K454-A458 VanDerWaalsContact O-N 3.13Å
459K47.7Very low74.9Confident228 Ų22893.9 Ų93.999%0.99146%0.455SS*.  trans-1150164.7-79.7-168.9174.3-168.30107.7K457K457-K459 VanDerWaalsContact C-N 3.34Å

Retrieved 459 of 459 residues in 370.4 ms (Link to these results)

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