A0A5K4F2V7_SCHMA Loading...

Putative nad dependent epimerase/dehydratase

AlphaFold DB , UniProt , Accession A0A5K4F2V7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 250 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
1M35.2Very low67.9Low240 Ų24093.6 Ų93.6100%1.18251%0.505SS*.  0106.20-70.6-168.9-84.800106E3M1-E3 PolarHBondContact O-N 2.68Å
2S35.7Very low70.4Confident107 Ų10786.3 Ų86.375%0.74847%0.468SS*.  trans-66.3115.8178.751.20000108.2T4S2-T4 PolarHBondContact O-N 3.47Å
3E41.5Very low72.5Confident192 Ų19279.7 Ų79.790%0.89743%0.432SS*.  trans-53.8105.1163.1-73.8173.7160.100106.8M1 Q5M1-E3 PolarHBondContact O-N 2.68Å; E3-Q5 PolarHBondContact O-N 2.77Å
4T47.7Very low74.2Confident121 Ų12174.1 Ų74.174%0.74240%0.402SS*.  trans-66.992.7174.441.30000107S2 T6S2-T4 PolarHBondContact O-N 3.47Å; T4-T6 PolarHBondContact O-N 3.26Å
5Q51.8Low75.7Confident188 Ų18869.1 Ų69.188%0.87938%0.375SS*.  trans-50.7110.3167.5-163.2173.914.600106.7E3 S7E3-Q5 PolarHBondContact O-N 2.77Å; Q5-S7 PolarHBondContact O-N 2.98Å
6T58.3Low77Confident39 Ų3964.9 Ų64.924%0.23935%0.352CS..  trans-62.8125.4-172.7-49.10000109.3T4 G78 Y79T4-T6 PolarHBondContact O-N 3.26Å; T6-G78 VanDerWaalsContact CG2-N 3.32Å; T6-G78 PolarHBondContact OG1-N 3.34Å; T6-Y79 WeakPolarHBondContact CG2-O 3.35Å
7S85.9Confident78.1Confident68 Ų6862.5 Ų62.548%0.47634%0.337SS..  trans-116.1122.5176.5-1690000108.9Q5 L9Q5-S7 PolarHBondContact O-N 2.98Å; S7-L9 PolarHBondContact O-N 3.5Å
8L96.6Very high79.1Confident1 Ų159.2 Ų59.21%0.00532%0.319CS..  trans-65.2131.5172.2-67.8179.6000109.3L76 Y79 V82 L94 Y98 A101L8-L76 HydrophobicContact CD1-CD1 3.97Å; L8-Y79 WeakPolarHBondContact CD2-O 3.24Å; L8-V82 HydrophobicContact CD1-CB 4.43Å; L8-V82 HydrophobicContact CD1-CG1 3.78Å; L8-V82 HydrophobicContact CD2-CB 4.5Å; L8-V82 HydrophobicContact CD2-CG1 4.5Å; L8-L94 HydrophobicContact CD1-CD2 3.95Å; L8-Y98 HydrophobicContact CB-CD1 4.04Å; L8-Y98 HydrophobicContact CB-CD2 3.94Å; L8-Y98 HydrophobicContact CB-CE1 4.27Å; L8-Y98 HydrophobicContact CB-CE2 4.17Å; L8-Y98 HydrophobicContact CB-CG 3.87Å; L8-Y98 HydrophobicContact CD1-CD2 3.68Å; L8-Y98 HydrophobicContact CD1-CE2 3.44Å; L8-Y98 VanDerWaalsContact CD1-CE2 3.44Å; L8-Y98 HydrophobicContact CD1-CG 4.46Å; L8-Y98 HydrophobicContact CG-CD2 4.05Å; L8-Y98 HydrophobicContact CG-CE1 4.27Å; L8-Y98 HydrophobicContact CG-CE2 3.78Å; L8-Y98 HydrophobicContact CG-CG 4.4Å; L8-A101 WeakPolarHBondContact O-CB 3.44Å
9L97.5Very high79.9Confident72 Ų7257 Ų5738%0.37731%0.312SS..SBendtrans-97.3-28.8173.2-58.3-176000111.6S7 Y31 V80 A101 K102S7-L9 PolarHBondContact O-N 3.5Å; L9-Y31 HydrophobicContact CD1-CD1 3.87Å; L9-Y31 HydrophobicContact CD1-CE1 3.58Å; L9-V80 HydrophobicContact CB-CG2 4.16Å; L9-V80 HydrophobicContact CD1-CG2 3.55Å; L9-V80 HydrophobicContact CG-CG2 3.71Å; L9-V80 PolarHBondContact N-O 3.49Å; L9-A101 CarbonylContact O-C 3.5Å; L9-A101 WeakPolarHBondContact O-CA 3.48Å; L9-K102 PolarHBondContact O-N 2.96Å
10V98.4Very high80.8Confident0 Ų054.4 Ų54.40%030%0.298CS..EExtended strand (participates in β ladder)trans-135.4126.5-177-175.10000111.9L27 Y31 A81 V82 K102 V104 L207V10-L27 HydrophobicContact CB-CD1 4.26Å; V10-L27 HydrophobicContact CB-CD2 4.16Å; V10-L27 HydrophobicContact CG1-CD1 3.94Å; V10-L27 HydrophobicContact CG1-CD2 4.06Å; V10-L27 HydrophobicContact CG2-CD2 3.91Å; V10-Y31 HydrophobicContact CG2-CE2 3.9Å; V10-A81 HydrophobicContact CB-CB 3.92Å; V10-A81 VanDerWaalsContact O-CA 3.24Å; V10-A81 WeakPolarHBondContact O-CA 3.18Å; V10-A81 WeakPolarHBondContact O-CB 3.3Å; V10-V82 PolarHBondContact O-N 2.91Å; V10-V82 VanDerWaalsContact O-N 3.16Å; V10-K102 CarbonylContact C-O 3.58Å; V10-K102 WeakPolarHBondContact CA-O 3.43Å; V10-V104 HydrophobicContact CG1-CB 4.36Å; V10-V104 HydrophobicContact CG1-CG2 3.73Å; V10-L207 HydrophobicContact CG2-CD1 4.28Å; V10-L207 HydrophobicContact CG2-CD2 3.6Å
11I98.4Very high81.5Confident2 Ų251.9 Ų51.91%0.0128%0.284CS..EExtended strand (participates in β ladder)trans-104.5106.5172.4-59.7162.9000108.1A13 V82 L94 M95 A101 K102 V103 V104I11-A13 PolarHBondContact O-N 3.24Å; I11-V82 HydrophobicContact CG2-CG1 4.47Å; I11-L94 HydrophobicContact CD1-CB 3.7Å; I11-L94 HydrophobicContact CG1-CB 4.11Å; I11-L94 HydrophobicContact CG2-CB 4.32Å; I11-L94 HydrophobicContact CG2-CD1 4.1Å; I11-M95 HydrophobicContact CD1-CB 4.49Å; I11-M95 HydrophobicContact CD1-CG 3.87Å; I11-A101 HydrophobicContact CD1-CB 3.81Å; I11-A101 HydrophobicContact CG1-CB 3.99Å; I11-K102 PolarHBondContact N-O 3.01Å; I11-V103 HydrophobicContact CB-CG2 4.44Å; I11-V103 WeakPolarHBondContact O-CA 2.96Å; I11-V104 PolarHBondContact O-N 3.37Å
12G98Very high84.5Confident6 Ų640.5 Ų40.56%0.06223%0.228CC..EExtended strand (participates in β ladder)trans-85.2103.6173.800000111V82 V104G12-V82 WeakPolarHBondContact CA-O 3.23Å; G12-V82 PolarHBondContact N-O 2.73Å; G12-V104 CarbonylContact C-O 3.56Å; G12-V104 WeakPolarHBondContact CA-O 3.43Å
13A96.9Very high87.4Confident0 Ų035.5 Ų35.50%019%0.193CC..  trans-994.6-174.800000114.1I11 L15 V103 V104 L105 F182I11-A13 PolarHBondContact O-N 3.24Å; A13-L15 PolarHBondContact O-N 2.96Å; A13-V103 HydrophobicContact CB-CG1 4.31Å; A13-V104 PolarHBondContact N-O 2.97Å; A13-L105 HydrophobicContact CB-CD1 4.49Å; A13-F182 HydrophobicContact CB-CD2 4.4Å; A13-F182 HydrophobicContact CB-CE1 4.07Å; A13-F182 HydrophobicContact CB-CE2 3.28Å; A13-F182 HydrophobicContact CB-CZ 3.07Å
14G96.4Very high90.1Very high1 Ų127 Ų271%0.0115%0.153CC..PPolyproline II helixtrans-63.5135173.600000111.6T106G14-T106 WeakPolarHBondContact CA-OG1 3.3Å
15L96.7Very high92.4Very high0 Ų022.6 Ų22.60%012%0.123CC..PPolyproline II helixtrans-60.1159.6172.8-63.9175.4000111.1A13 R17 T18 T20 W113 M154 A157 L158 Y175 M179A13-L15 PolarHBondContact O-N 2.96Å; L15-R17 PolarHBondContact O-N 3.4Å; L15-T18 HydrophobicContact CB-CG2 4.34Å; L15-T18 WeakPolarHBondContact O-CB 3.28Å; L15-T18 VanDerWaalsContact O-CG2 3.31Å; L15-T18 WeakPolarHBondContact O-CG2 3.31Å; L15-T18 PolarHBondContact O-N 3.27Å; L15-T18 PolarHBondContact O-OG1 3.25Å; L15-T20 WeakPolarHBondContact O-CG2 3.45Å; L15-W113 HydrophobicContact CD1-CZ2 4.32Å; L15-M154 HydrophobicContact CD2-SD 4.13Å; L15-A157 HydrophobicContact CD2-CB 3.84Å; L15-L158 HydrophobicContact CD1-CD2 3.79Å; L15-Y175 HydrophobicContact CD1-CD2 3.63Å; L15-Y175 HydrophobicContact CD1-CE2 3.96Å; L15-M179 HydrophobicContact CD1-CE 4.25Å; L15-M179 HydrophobicContact CG-CE 4.27Å
16S96.4Very high94.6Very high1 Ų113.6 Ų13.61%0.0078%0.081CC..THydrogen-bonded Turntrans-48.9145.1171.3-59.40000111.5T18 D84 V85 W113S16-T18 VanDerWaalsContact C-N 3.28Å; S16-T18 PolarHBondContact O-N 2.64Å; S16-D84 WeakPolarHBondContact CA-OD1 3.4Å; S16-D84 VanDerWaalsContact CB-OD1 3.27Å; S16-D84 WeakPolarHBondContact CB-OD1 3.38Å; S16-D84 PolarHBondContact OG-OD1 3.33Å; S16-V85 WeakPolarHBondContact OG-CG1 3.44Å; S16-V85 VanDerWaalsContact OG-CG2 3.26Å; S16-V85 WeakPolarHBondContact OG-CG2 3.2Å; S16-W113 PolarHBondContact O-NE1 3.44Å
17R95.9Very high96.5Very high25 Ų2511.8 Ų11.89%0.0947%0.07CC..THydrogen-bonded Turntrans70.314.6179-44-50.5-55.7168.92.9115.2L15 R108 S116 F117 I121 N221L15-R17 PolarHBondContact O-N 3.4Å; R17-R108 WeakPolarHBondContact O-CD 3.43Å; R17-R108 PolarHBondContact O-NH1 2.77Å; R17-S116 PolarHBondContact NE-OG 3.43Å; R17-S116 PolarHBondContact NH2-OG 3.42Å; R17-F117 HydrophobicContact CG-CB 4.46Å; R17-F117 HydrophobicContact CG-CD2 4.46Å; R17-I121 HydrophobicContact CG-CD1 4.32Å; R17-I121 HydrophobicContact CG-CG1 3.64Å; R17-N221 PolarHBondContact NH1-ND2 3.28Å; R17-N221 PolarHBondContact NH1-OD1 2.74Å; R17-N221 PolarHBondContact NH2-O 2.77Å
18T95.8Very high97.1Very high3 Ų311.1 Ų11.12%0.0186%0.059CC..SBendtrans-96.46.8173.362.30000114.5L15 S16 T106 R108 Y175L15-T18 HydrophobicContact CB-CG2 4.34Å; L15-T18 WeakPolarHBondContact O-CB 3.28Å; L15-T18 VanDerWaalsContact O-CG2 3.31Å; L15-T18 WeakPolarHBondContact O-CG2 3.31Å; L15-T18 PolarHBondContact O-N 3.27Å; L15-T18 PolarHBondContact O-OG1 3.25Å; S16-T18 VanDerWaalsContact C-N 3.28Å; S16-T18 PolarHBondContact O-N 2.64Å; T18-T106 VanDerWaalsContact CB-O 3.22Å; T18-T106 WeakPolarHBondContact CB-O 3.38Å; T18-T106 WeakPolarHBondContact O-CB 3.32Å; T18-T106 PolarHBondContact OG1-O 3Å; T18-T106 PolarHBondContact OG1-OG1 2.72Å; T18-R108 HydrophobicContact CG2-CG 4.33Å; T18-Y175 HydrophobicContact CG2-CE2 4.25Å
19G95.7Very high97.1Very high17 Ų1714.1 Ų14.118%0.1758%0.075CC..SBendtrans106.115.4-175.100000114L21 S22 M23G19-L21 VanDerWaalsContact C-N 3.32Å; G19-L21 PolarHBondContact O-N 2.93Å; G19-S22 WeakPolarHBondContact O-CB 3.42Å; G19-S22 PolarHBondContact O-N 3.37Å; G19-S22 VanDerWaalsContact O-N 3.16Å; G19-M23 PolarHBondContact O-N 2.94Å
20T97.3Very high97.1Very high5 Ų512.1 Ų12.13%0.0316%0.064CC..Hα-helixtrans-54.7-40.6-177.657.90000113.5L15 M23 K24 H37 D84L15-T20 WeakPolarHBondContact O-CG2 3.45Å; T20-M23 WeakPolarHBondContact O-CB 3.49Å; T20-M23 PolarHBondContact O-N 2.93Å; T20-K24 WeakPolarHBondContact O-CB 3.45Å; T20-K24 PolarHBondContact O-N 3.04Å; T20-H37 PolarHBondContact OG1-NE2 2.82Å; T20-D84 HydrophobicContact CG2-CB 4.11Å
21L96.4Very high97.1Very high2 Ų214.4 Ų14.41%0.017%0.073CC..Hα-helixtrans-71.2-37.7179.7-175.859.9000112.6G19 M23 K24 K25 H37 F39 T220 N221 I250G19-L21 VanDerWaalsContact C-N 3.32Å; G19-L21 PolarHBondContact O-N 2.93Å; L21-M23 VanDerWaalsContact C-N 3.31Å; L21-K24 HydrophobicContact CD1-CB 4.43Å; L21-K24 HydrophobicContact CD1-CD 3.68Å; L21-K24 PolarHBondContact O-N 3.14Å; L21-K25 PolarHBondContact O-N 3.15Å; L21-K25 VanDerWaalsContact O-N 3.07Å; L21-H37 WeakPolarHBondContact CA-NE2 3.41Å; L21-H37 PolarHBondContact N-NE2 3.44Å; L21-F39 HydrophobicContact CD1-CD2 4.15Å; L21-F39 HydrophobicContact CD1-CE2 4.49Å; L21-F39 HydrophobicContact CD2-CD2 4.35Å; L21-F39 HydrophobicContact CD2-CE2 3.9Å; L21-T220 WeakPolarHBondContact CG-OG1 3.5Å; L21-N221 HydrophobicContact CB-CB 4.08Å; L21-N221 HydrophobicContact CD2-CB 3.78Å; L21-I250 WeakPolarHBondContact CD1-OXT 3.33Å
22S96.3Very high97Very high1 Ų119.5 Ų19.51%0.00711%0.109CC..Hα-helixtrans-61.3-43.9171.4-840000110.8G19 K25 A26 P218 K219 T220G19-S22 WeakPolarHBondContact O-CB 3.42Å; G19-S22 PolarHBondContact O-N 3.37Å; G19-S22 VanDerWaalsContact O-N 3.16Å; S22-K25 PolarHBondContact O-N 3.08Å; S22-A26 WeakPolarHBondContact O-CB 3.45Å; S22-A26 PolarHBondContact O-N 2.83Å; S22-P218 WeakPolarHBondContact CB-O 3.3Å; S22-P218 PolarHBondContact OG-O 2.9Å; S22-K219 WeakPolarHBondContact OG-CA 3.19Å; S22-T220 PolarHBondContact OG-N 3.17Å; S22-T220 VanDerWaalsContact OG-N 3.12Å
23M98Very high96.9Very high2 Ų224 Ų241%0.0113%0.129CC..Hα-helixtrans-62.4-46.7176.4-17757.563.900111.7G19 T20 L21 K25 A26 L27 T83 V104 T106 H194 L203G19-M23 PolarHBondContact O-N 2.94Å; T20-M23 WeakPolarHBondContact O-CB 3.49Å; T20-M23 PolarHBondContact O-N 2.93Å; L21-M23 VanDerWaalsContact C-N 3.31Å; M23-K25 VanDerWaalsContact C-N 3.33Å; M23-K25 PolarHBondContact O-N 3.16Å; M23-A26 WeakPolarHBondContact O-CB 3.45Å; M23-A26 PolarHBondContact O-N 3.32Å; M23-A26 VanDerWaalsContact O-N 3.12Å; M23-L27 HydrophobicContact CG-CD1 3.86Å; M23-L27 HydrophobicContact CG-CG 4.37Å; M23-L27 VanDerWaalsContact O-CG 3.28Å; M23-L27 WeakPolarHBondContact O-CG 3.29Å; M23-L27 PolarHBondContact O-N 2.91Å; M23-L27 HydrophobicContact SD-CD1 4.02Å; M23-L27 HydrophobicContact SD-CD2 4.38Å; M23-L27 HydrophobicContact SD-CG 4.01Å; M23-T83 HydrophobicContact CB-CG2 4.44Å; M23-T83 HydrophobicContact CG-CG2 4.06Å; M23-V104 HydrophobicContact CE-CG1 3.63Å; M23-V104 HydrophobicContact SD-CG1 4.2Å; M23-T106 HydrophobicContact CB-CG2 4.14Å; M23-T106 HydrophobicContact CE-CG2 3.73Å; M23-T106 HydrophobicContact CG-CG2 4.31Å; M23-H194 HydrophobicContact CE-CB 4.2Å; M23-L203 HydrophobicContact CE-CD1 4.24Å; M23-L203 HydrophobicContact CE-CD2 4.25Å; M23-L203 HydrophobicContact SD-CD1 4.05Å; M23-L203 HydrophobicContact SD-CD2 3.92Å
24K97.8Very high96.8Very high12 Ų1226.3 Ų26.35%0.05214%0.144CC..Hα-helixtrans-50.2-53.5173.6-177.7-153.7-172.2-61.60110.9T20 L21 A26 L27 E28 C35 H37 E40T20-K24 WeakPolarHBondContact O-CB 3.45Å; T20-K24 PolarHBondContact O-N 3.04Å; L21-K24 HydrophobicContact CD1-CB 4.43Å; L21-K24 HydrophobicContact CD1-CD 3.68Å; L21-K24 PolarHBondContact O-N 3.14Å; K24-A26 VanDerWaalsContact C-N 3.34Å; K24-A26 PolarHBondContact O-N 3.24Å; K24-L27 PolarHBondContact O-N 2.86Å; K24-E28 IonicContact NZ-OE1 3.52Å; K24-E28 PolarHBondContact NZ-OE1 3.31Å; K24-E28 IonicContact NZ-OE2 3.95Å; K24-E28 PolarHBondContact NZ-OE2 3.01Å; K24-E28 WeakPolarHBondContact O-CG 3.46Å; K24-E28 PolarHBondContact O-N 2.98Å; K24-C35 HydrophobicContact CB-CB 4.4Å; K24-C35 WeakPolarHBondContact CE-O 3.45Å; K24-C35 HydrophobicContact CG-CB 3.68Å; K24-C35 WeakPolarHBondContact CG-O 3.41Å; K24-C35 PolarHBondContact NZ-O 2.87Å; K24-H37 HydrophobicContact CD-CB 3.62Å; K24-H37 HydrophobicContact CG-CB 4.16Å; K24-E40 IonicContact NZ-OE2 2.61Å
25K96.9Very high96.9Very high29 Ų2926.3 Ų26.313%0.12614%0.143CC..Hα-helixtrans-63-39.3179.5-72.5-177.8176.2178.60112.3L21 S22 M23 E28 I29 P218 T220 G248 I250L21-K25 PolarHBondContact O-N 3.15Å; L21-K25 VanDerWaalsContact O-N 3.07Å; S22-K25 PolarHBondContact O-N 3.08Å; M23-K25 VanDerWaalsContact C-N 3.33Å; M23-K25 PolarHBondContact O-N 3.16Å; K25-E28 PolarHBondContact O-N 2.86Å; K25-I29 WeakPolarHBondContact O-CD1 3.45Å; K25-I29 VanDerWaalsContact O-CG1 3.26Å; K25-I29 WeakPolarHBondContact O-CG1 3.42Å; K25-I29 PolarHBondContact O-N 3.25Å; K25-P218 HydrophobicContact CB-CB 3.84Å; K25-P218 HydrophobicContact CB-CG 3.79Å; K25-T220 HydrophobicContact CD-CG2 3.72Å; K25-G248 PolarHBondContact NZ-O 3.32Å; K25-I250 WeakPolarHBondContact CE-O 3.4Å; K25-I250 PolarHBondContact NZ-O 3.35Å
26A97.8Very high97Very high0 Ų026.3 Ų26.30%014%0.143CC..Hα-helixtrans-62.5-43.817800000111.5S22 M23 K24 I29 I30 W200 L203 Y217 P218S22-A26 WeakPolarHBondContact O-CB 3.45Å; S22-A26 PolarHBondContact O-N 2.83Å; M23-A26 WeakPolarHBondContact O-CB 3.45Å; M23-A26 PolarHBondContact O-N 3.32Å; M23-A26 VanDerWaalsContact O-N 3.12Å; K24-A26 VanDerWaalsContact C-N 3.34Å; K24-A26 PolarHBondContact O-N 3.24Å; A26-I29 PolarHBondContact O-N 2.88Å; A26-I30 WeakPolarHBondContact O-CG1 3.39Å; A26-I30 PolarHBondContact O-N 2.82Å; A26-W200 HydrophobicContact CB-CH2 3.8Å; A26-W200 HydrophobicContact CB-CZ3 3.7Å; A26-L203 HydrophobicContact CB-CD2 4.05Å; A26-Y217 HydrophobicContact CB-CD2 4.36Å; A26-Y217 HydrophobicContact CB-CE2 3.67Å; A26-P218 HydrophobicContact CB-CG 4.3Å
27L98.2Very high97Very high0 Ų026.3 Ų26.30%014%0.143CC..Hα-helixtrans-67.9-37.8177.7-64.6169.7000112V10 M23 K24 I29 I30 Y31 C35 A81 T83 L207V10-L27 HydrophobicContact CB-CD1 4.26Å; V10-L27 HydrophobicContact CB-CD2 4.16Å; V10-L27 HydrophobicContact CG1-CD1 3.94Å; V10-L27 HydrophobicContact CG1-CD2 4.06Å; V10-L27 HydrophobicContact CG2-CD2 3.91Å; M23-L27 HydrophobicContact CG-CD1 3.86Å; M23-L27 HydrophobicContact CG-CG 4.37Å; M23-L27 VanDerWaalsContact O-CG 3.28Å; M23-L27 WeakPolarHBondContact O-CG 3.29Å; M23-L27 PolarHBondContact O-N 2.91Å; M23-L27 HydrophobicContact SD-CD1 4.02Å; M23-L27 HydrophobicContact SD-CD2 4.38Å; M23-L27 HydrophobicContact SD-CG 4.01Å; K24-L27 PolarHBondContact O-N 2.86Å; L27-I29 VanDerWaalsContact C-N 3.33Å; L27-I29 PolarHBondContact O-N 3.33Å; L27-I30 PolarHBondContact O-N 3.01Å; L27-Y31 HydrophobicContact CB-CD2 4.48Å; L27-Y31 HydrophobicContact CD2-CD2 4.49Å; L27-Y31 HydrophobicContact CD2-CE2 4.02Å; L27-Y31 WeakPolarHBondContact O-CB 3.41Å; L27-Y31 WeakPolarHBondContact O-CD2 2.84Å; L27-Y31 PolarHBondContact O-N 3.32Å; L27-C35 HydrophobicContact CB-CB 4.39Å; L27-A81 HydrophobicContact CB-CB 4.27Å; L27-A81 HydrophobicContact CD1-CB 3.75Å; L27-T83 HydrophobicContact CD1-CG2 4.31Å; L27-L207 HydrophobicContact CD2-CD1 3.86Å
28E97.2Very high97.1Very high54 Ų5425.8 Ų25.825%0.25215%0.145SC..Hα-helixtrans-64.6-37.1173.9-71.3-177.7149.600112.3K24 K25 S32 Q33 P34 C35K24-E28 IonicContact NZ-OE1 3.52Å; K24-E28 PolarHBondContact NZ-OE1 3.31Å; K24-E28 IonicContact NZ-OE2 3.95Å; K24-E28 PolarHBondContact NZ-OE2 3.01Å; K24-E28 WeakPolarHBondContact O-CG 3.46Å; K24-E28 PolarHBondContact O-N 2.98Å; K25-E28 PolarHBondContact O-N 2.86Å; E28-S32 WeakPolarHBondContact O-CA 3.17Å; E28-S32 PolarHBondContact O-N 3.33Å; E28-Q33 WeakPolarHBondContact CG-O 3.37Å; E28-P34 WeakPolarHBondContact OE1-CA 3.47Å; E28-C35 HydrophobicContact CG-CB 3.79Å; E28-C35 PolarHBondContact OE1-N 2.68Å
29I97.4Very high97Very high64 Ų6427 Ų2733%0.32815%0.151SC..Hα-helixtrans-65.6-45.9173.4-69.6160.5000110.8K25 A26 L27 W200 P212 V215 P218K25-I29 WeakPolarHBondContact O-CD1 3.45Å; K25-I29 VanDerWaalsContact O-CG1 3.26Å; K25-I29 WeakPolarHBondContact O-CG1 3.42Å; K25-I29 PolarHBondContact O-N 3.25Å; A26-I29 PolarHBondContact O-N 2.88Å; L27-I29 VanDerWaalsContact C-N 3.33Å; L27-I29 PolarHBondContact O-N 3.33Å; I29-W200 HydrophobicContact CB-CH2 4.02Å; I29-W200 HydrophobicContact CD1-CH2 4.09Å; I29-W200 HydrophobicContact CD1-CZ2 4.15Å; I29-W200 HydrophobicContact CG2-CH2 3.9Å; I29-W200 HydrophobicContact CG2-CZ2 4.25Å; I29-P212 HydrophobicContact CG2-CB 3.89Å; I29-P212 HydrophobicContact CG2-CG 3.7Å; I29-V215 HydrophobicContact CD1-CG1 4.03Å; I29-P218 HydrophobicContact CD1-CG 3.81Å
30I97.9Very high97.1Very high31 Ų3126.6 Ų26.616%0.15914%0.144CC..Hα-helixtrans-63.5-48.7-178.9-73.1167.8000111.3A26 L27 W200 L203 L207 V209 P212A26-I30 WeakPolarHBondContact O-CG1 3.39Å; A26-I30 PolarHBondContact O-N 2.82Å; L27-I30 PolarHBondContact O-N 3.01Å; I30-W200 HydrophobicContact CD1-CE3 4.31Å; I30-W200 HydrophobicContact CD1-CZ3 3.75Å; I30-W200 HydrophobicContact CG1-CZ3 3.82Å; I30-L203 HydrophobicContact CD1-CD2 4.11Å; I30-L203 HydrophobicContact CD1-CG 4.33Å; I30-L207 HydrophobicContact CD1-CD1 4Å; I30-V209 HydrophobicContact CD1-CG2 4.29Å; I30-V209 HydrophobicContact CG1-CG2 4.44Å; I30-V209 HydrophobicContact CG2-CB 4.28Å; I30-V209 HydrophobicContact CG2-CG1 4.14Å; I30-V209 HydrophobicContact CG2-CG2 3.81Å; I30-P212 HydrophobicContact CG1-CG 4.46Å
31Y96.9Very high97Very high47 Ų4726.4 Ų26.418%0.18414%0.143CC..Hα-helixtrans-99.3-8.4-169.1-66.7-64.3000114.1L9 V10 L27 Q33 V80 L207L9-Y31 HydrophobicContact CD1-CD1 3.87Å; L9-Y31 HydrophobicContact CD1-CE1 3.58Å; V10-Y31 HydrophobicContact CG2-CE2 3.9Å; L27-Y31 HydrophobicContact CB-CD2 4.48Å; L27-Y31 HydrophobicContact CD2-CD2 4.49Å; L27-Y31 HydrophobicContact CD2-CE2 4.02Å; L27-Y31 WeakPolarHBondContact O-CB 3.41Å; L27-Y31 WeakPolarHBondContact O-CD2 2.84Å; L27-Y31 PolarHBondContact O-N 3.32Å; Y31-Q33 PolarHBondContact O-N 3.43Å; Y31-Q33 VanDerWaalsContact O-N 3.09Å; Y31-V80 HydrophobicContact CD1-CG2 4.35Å; Y31-V80 HydrophobicContact CD2-CG1 4.05Å; Y31-V80 HydrophobicContact CD2-CG2 4.31Å; Y31-V80 HydrophobicContact CG-CG1 4.12Å; Y31-V80 HydrophobicContact CG-CG2 4Å; Y31-L207 HydrophobicContact CE2-CD1 4.31Å
32S96.2Very high96.9Very high109 Ų10926.8 Ų26.876%0.76215%0.145SC*.SBendtrans5131.6-174-60.50000112.9E28E28-S32 WeakPolarHBondContact O-CA 3.17Å; E28-S32 PolarHBondContact O-N 3.33Å
33Q96.5Very high96.8Very high102 Ų10227.9 Ų27.948%0.47715%0.152SC..SBendtrans-141.1153.2-177.2-78.2-174.272.200110.5E28 Y31 V80E28-Q33 WeakPolarHBondContact CG-O 3.37Å; Y31-Q33 PolarHBondContact O-N 3.43Å; Y31-Q33 VanDerWaalsContact O-N 3.09Å; Q33-V80 HydrophobicContact CB-CB 3.85Å; Q33-V80 HydrophobicContact CB-CG1 3.76Å
34P96.2Very high96.6Very high48 Ų4833.9 Ų33.931%0.31217%0.174SC..  trans-61.2139.5-173.7-23.234.3000113.8E28 Y79 V80E28-P34 WeakPolarHBondContact OE1-CA 3.47Å; P34-Y79 HydrophobicContact CB-CD1 3.69Å; P34-Y79 HydrophobicContact CB-CE1 3.88Å; P34-Y79 WeakPolarHBondContact O-CA 3.28Å; P34-V80 PolarHBondContact O-N 3.48Å
35C97.6Very high96.5Very high0 Ų035.1 Ų35.10%018%0.18CC..EExtended strand (participates in β ladder)trans-110.3127.7167.3178.10000109.8K24 L27 E28 A81K24-C35 HydrophobicContact CB-CB 4.4Å; K24-C35 WeakPolarHBondContact CE-O 3.45Å; K24-C35 HydrophobicContact CG-CB 3.68Å; K24-C35 WeakPolarHBondContact CG-O 3.41Å; K24-C35 PolarHBondContact NZ-O 2.87Å; L27-C35 HydrophobicContact CB-CB 4.39Å; E28-C35 HydrophobicContact CG-CB 3.79Å; E28-C35 PolarHBondContact OE1-N 2.68Å; C35-A81 CarbonylContact C-O 3.57Å; C35-A81 WeakPolarHBondContact CA-O 3.49Å; C35-A81 HydrophobicContact CB-CB 4.1Å
36Y98Very high96.4Very high0 Ų036.7 Ų36.70%019%0.188CC..EExtended strand (participates in β ladder)trans-69.9145.8179.6-161.8-79.5000110.3E40 L41 K45 W52 I75 L76 Y79 A81 V82 T83Y36-E40 HydrophobicContact CD1-CG 4.33Å; Y36-E40 HydrophobicContact CD2-CG 4.07Å; Y36-E40 HydrophobicContact CE1-CG 4.39Å; Y36-E40 HydrophobicContact CE2-CB 4.24Å; Y36-E40 HydrophobicContact CE2-CG 4.15Å; Y36-E40 HydrophobicContact CG-CG 4.14Å; Y36-L41 WeakPolarHBondContact OH-CD2 3.44Å; Y36-K45 HydrophobicContact CE2-CD 3.99Å; Y36-W52 HydrophobicContact CE1-CZ2 4.04Å; Y36-W52 AromaticContact CE1-NE1 3.98Å; Y36-W52 AromaticContact CZ-NE1 3.64Å; Y36-W52 PolarHBondContact OH-NE1 3.42Å; Y36-I75 HydrophobicContact CE2-CG2 3.91Å; Y36-L76 HydrophobicContact CD1-CD2 4.25Å; Y36-L76 HydrophobicContact CD2-CD2 3.65Å; Y36-L76 HydrophobicContact CE2-CD2 4.22Å; Y36-L76 HydrophobicContact CG-CD2 3.69Å; Y36-Y79 HydrophobicContact CD2-CD1 4.15Å; Y36-Y79 AromaticContact CD2-CD2 3.85Å; Y36-Y79 HydrophobicContact CD2-CD2 3.85Å; Y36-Y79 AromaticContact CD2-CE1 3.8Å; Y36-Y79 HydrophobicContact CD2-CE1 3.8Å; Y36-Y79 AromaticContact CD2-CE2 3.53Å; Y36-Y79 HydrophobicContact CD2-CE2 3.53Å; Y36-Y79 HydrophobicContact CD2-CG 4.14Å; Y36-Y79 AromaticContact CD2-CZ 3.48Å; Y36-Y79 VanDerWaalsContact CD2-CZ 3.48Å; Y36-Y79 HydrophobicContact CE2-CE2 4.11Å; Y36-Y79 HydrophobicContact CG-CD1 4.42Å; Y36-Y79 HydrophobicContact CG-CE1 4.26Å; Y36-A81 PolarHBondContact N-O 2.87Å; Y36-V82 HydrophobicContact CD1-CG2 4.36Å; Y36-V82 HydrophobicContact CG-CG2 4.46Å; Y36-T83 PolarHBondContact O-N 2.88Å; Y36-T83 PolarHBondContact O-OG1 3.4Å
37H97.9Very high96.2Very high1 Ų141.2 Ų41.21%0.00522%0.218CC..  trans-154.7163.3179.3-169.3-75.4000110.3T20 L21 K24 F39 E40 T83 D84T20-H37 PolarHBondContact OG1-NE2 2.82Å; L21-H37 WeakPolarHBondContact CA-NE2 3.41Å; L21-H37 PolarHBondContact N-NE2 3.44Å; K24-H37 HydrophobicContact CD-CB 3.62Å; K24-H37 HydrophobicContact CG-CB 4.16Å; H37-F39 AromaticContact CE1-CD2 3.6Å; H37-F39 AromaticContact ND1-CD2 3.49Å; H37-F39 WeakPolarHBondContact ND1-CD2 3.35Å; H37-F39 PolarHBondContact ND1-N 3.07Å; H37-F39 PolarHBondContact O-N 3.15Å; H37-E40 VanDerWaalsContact O-CG 3.24Å; H37-E40 WeakPolarHBondContact O-CG 3.14Å; H37-E40 PolarHBondContact O-N 3.22Å; H37-T83 WeakPolarHBondContact CA-O 3.48Å; H37-T83 PolarHBondContact CD2-OG1 2.89Å; H37-T83 VanDerWaalsContact CD2-OG1 3.27Å; H37-D84 IonicContact CE1-OD2 3.48Å; H37-D84 PolarHBondContact CE1-OD2 3.14Å; H37-D84 IonicContact ND1-OD2 2.79Å; H37-D84 PolarHBondContact ND1-OD2 2.76Å; H37-D84 IonicContact NE2-OD2 3.33Å
38G96Very high96.1Very high14 Ų1441.4 Ų41.414%0.14422%0.219CC..THydrogen-bonded Turntrans-54.8-21.5172.600000114.6E40 L41 D84 V85G38-E40 VanDerWaalsContact C-N 3.26Å; G38-E40 PolarHBondContact O-N 3.41Å; G38-L41 PolarHBondContact O-N 3.46Å; G38-D84 PolarHBondContact N-OD2 2.93Å; G38-V85 VanDerWaalsContact CA-O 3.23Å; G38-V85 WeakPolarHBondContact CA-O 3.3Å; G38-V85 PolarHBondContact N-O 3.4Å
39F95.6Very high96.1Very high29 Ų2939.3 Ų39.313%0.12721%0.21CC..THydrogen-bonded Turntrans-69.4-22.3176.5-85.8-68.5000113.1L21 H37 L41 V42 T43 I239 I250L21-F39 HydrophobicContact CD1-CD2 4.15Å; L21-F39 HydrophobicContact CD1-CE2 4.49Å; L21-F39 HydrophobicContact CD2-CD2 4.35Å; L21-F39 HydrophobicContact CD2-CE2 3.9Å; H37-F39 AromaticContact CE1-CD2 3.6Å; H37-F39 AromaticContact ND1-CD2 3.49Å; H37-F39 WeakPolarHBondContact ND1-CD2 3.35Å; H37-F39 PolarHBondContact ND1-N 3.07Å; H37-F39 PolarHBondContact O-N 3.15Å; F39-L41 PolarHBondContact O-N 3.37Å; F39-V42 HydrophobicContact CD1-CG2 3.88Å; F39-V42 VanDerWaalsContact O-CG2 3.3Å; F39-V42 WeakPolarHBondContact O-CG2 3.45Å; F39-V42 PolarHBondContact O-N 2.95Å; F39-T43 WeakPolarHBondContact O-CB 3.25Å; F39-T43 WeakPolarHBondContact O-CG2 3.38Å; F39-T43 PolarHBondContact O-N 3.23Å; F39-T43 PolarHBondContact O-OG1 3.35Å; F39-I239 HydrophobicContact CD1-CD1 4.29Å; F39-I239 HydrophobicContact CE1-CD1 4.12Å; F39-I250 HydrophobicContact CB-CG2 3.6Å; F39-I250 HydrophobicContact CD1-CG2 3.48Å; F39-I250 VanDerWaalsContact CD1-CG2 3.48Å; F39-I250 HydrophobicContact CD2-CG2 4.13Å; F39-I250 HydrophobicContact CE1-CG1 4.46Å; F39-I250 HydrophobicContact CE1-CG2 4.14Å; F39-I250 HydrophobicContact CG-CG2 3.48Å; F39-I250 VanDerWaalsContact CG-CG2 3.48Å
40E96.1Very high96.1Very high8 Ų839.4 Ų39.44%0.03722%0.22CC..Hα-helixtrans-62.6-36.7176.8-47.2-50.913.700111K24 Y36 H37 G38 V42 T43 R44 K45 Y79K24-E40 IonicContact NZ-OE2 2.61Å; Y36-E40 HydrophobicContact CD1-CG 4.33Å; Y36-E40 HydrophobicContact CD2-CG 4.07Å; Y36-E40 HydrophobicContact CE1-CG 4.39Å; Y36-E40 HydrophobicContact CE2-CB 4.24Å; Y36-E40 HydrophobicContact CE2-CG 4.15Å; Y36-E40 HydrophobicContact CG-CG 4.14Å; H37-E40 VanDerWaalsContact O-CG 3.24Å; H37-E40 WeakPolarHBondContact O-CG 3.14Å; H37-E40 PolarHBondContact O-N 3.22Å; G38-E40 VanDerWaalsContact C-N 3.26Å; G38-E40 PolarHBondContact O-N 3.41Å; E40-V42 PolarHBondContact O-N 2.93Å; E40-T43 PolarHBondContact O-N 2.78Å; E40-R44 HydrophobicContact CB-CG 4.2Å; E40-R44 PolarHBondContact O-N 3.38Å; E40-R44 IonicContact OE1-CZ 3.98Å; E40-R44 VanDerWaalsContact OE1-CZ 3.29Å; E40-R44 IonicContact OE1-NE 3.23Å; E40-R44 PolarHBondContact OE1-NE 2.7Å; E40-R44 IonicContact OE1-NH2 3.22Å; E40-R44 PolarHBondContact OE1-NH2 3.38Å; E40-R44 IonicContact OE2-CZ 3.36Å; E40-R44 IonicContact OE2-NE 3.52Å; E40-R44 IonicContact OE2-NH2 3.56Å; E40-R44 PolarHBondContact OE2-NH2 3.41Å; E40-K45 HydrophobicContact CB-CB 4.36Å; E40-K45 HydrophobicContact CB-CD 4.22Å; E40-K45 WeakPolarHBondContact O-CA 3.41Å; E40-K45 PolarHBondContact O-N 2.76Å; E40-Y79 HydrophobicContact CG-CE1 4.36Å; E40-Y79 WeakPolarHBondContact OE2-CE1 3.36Å
41L96.7Very high96Very high2 Ų241.4 Ų41.41%0.0123%0.228CC..Hα-helixtrans-67.5-18-178.2-64.5177.8000113.6Y36 G38 F39 Q46 D48 I49 P86 L146 L149Y36-L41 WeakPolarHBondContact OH-CD2 3.44Å; G38-L41 PolarHBondContact O-N 3.46Å; F39-L41 PolarHBondContact O-N 3.37Å; L41-Q46 WeakPolarHBondContact O-CA 3.49Å; L41-Q46 WeakPolarHBondContact O-CG 3.37Å; L41-D48 HydrophobicContact CD2-CB 4.06Å; L41-I49 HydrophobicContact CB-CG1 4.19Å; L41-I49 HydrophobicContact CD2-CG1 4.07Å; L41-P86 HydrophobicContact CD1-CG 4.27Å; L41-L146 HydrophobicContact CB-CD1 4.28Å; L41-L146 HydrophobicContact CD1-CD1 3.95Å; L41-L149 HydrophobicContact CD1-CD2 3.86Å
42V94.3Very high96Very high10 Ų1039.1 Ų39.16%0.06122%0.219CC..Hα-helixtrans-110.1-16.7178.6-62.20000112.9F39 E40 V142 L146 I239 E240F39-V42 HydrophobicContact CD1-CG2 3.88Å; F39-V42 VanDerWaalsContact O-CG2 3.3Å; F39-V42 WeakPolarHBondContact O-CG2 3.45Å; F39-V42 PolarHBondContact O-N 2.95Å; E40-V42 PolarHBondContact O-N 2.93Å; V42-V142 HydrophobicContact CG1-CG1 4.03Å; V42-V142 HydrophobicContact CG1-CG2 4.16Å; V42-L146 HydrophobicContact CG1-CD2 3.37Å; V42-I239 HydrophobicContact CB-CD1 4.27Å; V42-I239 HydrophobicContact CB-CG2 4.04Å; V42-I239 HydrophobicContact CG2-CD1 3.63Å; V42-I239 HydrophobicContact CG2-CG1 4.4Å; V42-I239 HydrophobicContact CG2-CG2 4.4Å; V42-I239 WeakPolarHBondContact O-CG2 3.32Å; V42-E240 WeakPolarHBondContact O-CG 3.48Å
43T94.3Very high96.1Very high23 Ų2335 Ų3514%0.14119%0.188CC..Hα-helixtrans-107.6-27-175.656.90000115.1F39 E40 I239 A243 I250F39-T43 WeakPolarHBondContact O-CB 3.25Å; F39-T43 WeakPolarHBondContact O-CG2 3.38Å; F39-T43 PolarHBondContact O-N 3.23Å; F39-T43 PolarHBondContact O-OG1 3.35Å; E40-T43 PolarHBondContact O-N 2.78Å; T43-I239 HydrophobicContact CG2-CG1 4.3Å; T43-A243 HydrophobicContact CG2-CB 3.57Å; T43-I250 HydrophobicContact CG2-CD1 3.87Å; T43-I250 HydrophobicContact CG2-CG2 3.96Å
44R93.2Very high96Very high128 Ų12832.6 Ų32.648%0.48318%0.18SC..THydrogen-bonded Turntrans-151.6-22.5-172.157.9177172.5172.7-4.6116.6E40 Y79E40-R44 HydrophobicContact CB-CG 4.2Å; E40-R44 PolarHBondContact O-N 3.38Å; E40-R44 IonicContact OE1-CZ 3.98Å; E40-R44 VanDerWaalsContact OE1-CZ 3.29Å; E40-R44 IonicContact OE1-NE 3.23Å; E40-R44 PolarHBondContact OE1-NE 2.7Å; E40-R44 IonicContact OE1-NH2 3.22Å; E40-R44 PolarHBondContact OE1-NH2 3.38Å; E40-R44 IonicContact OE2-CZ 3.36Å; E40-R44 IonicContact OE2-NE 3.52Å; E40-R44 IonicContact OE2-NH2 3.56Å; E40-R44 PolarHBondContact OE2-NH2 3.41Å; R44-Y79 VanDerWaalsContact CZ-OH 3.26Å; R44-Y79 PolarHBondContact NE-OH 2.99Å; R44-Y79 PolarHBondContact NH2-OH 3.36Å
45K95.2Very high96Very high38 Ų3830.3 Ų30.317%0.16517%0.165CC..  trans-127.538.7-169.6-80.5173.2157.9-103.10111.6Y36 E40 C47 D48 I75 Y79Y36-K45 HydrophobicContact CE2-CD 3.99Å; E40-K45 HydrophobicContact CB-CB 4.36Å; E40-K45 HydrophobicContact CB-CD 4.22Å; E40-K45 WeakPolarHBondContact O-CA 3.41Å; E40-K45 PolarHBondContact O-N 2.76Å; K45-C47 PolarHBondContact O-N 3.25Å; K45-C47 VanDerWaalsContact O-N 3.15Å; K45-D48 HydrophobicContact CB-CB 4.31Å; K45-D48 WeakPolarHBondContact CD-OD2 3.31Å; K45-D48 IonicContact NZ-OD2 3.72Å; K45-D48 PolarHBondContact NZ-OD2 2.88Å; K45-D48 WeakPolarHBondContact O-CB 2.97Å; K45-D48 PolarHBondContact O-N 2.77Å; K45-I75 PolarHBondContact NZ-O 3.13Å; K45-Y79 HydrophobicContact CD-CE2 4.47Å; K45-Y79 WeakPolarHBondContact CD-OH 3.42Å; K45-Y79 VanDerWaalsContact CE-OH 3.3Å; K45-Y79 WeakPolarHBondContact CE-OH 3.35Å
46Q94.6Very high96Very high62 Ų6230.3 Ų30.329%0.2917%0.165SC..THydrogen-bonded Turntrans-55.2-33.1176-57.9-159.72.600112.1L41 D48 I49 G141 P143 E240L41-Q46 WeakPolarHBondContact O-CA 3.49Å; L41-Q46 WeakPolarHBondContact O-CG 3.37Å; Q46-D48 PolarHBondContact O-N 3.39Å; Q46-I49 HydrophobicContact CB-CD1 4.43Å; Q46-I49 WeakPolarHBondContact O-CB 3.47Å; Q46-I49 WeakPolarHBondContact O-CD1 3.46Å; Q46-I49 WeakPolarHBondContact O-CG1 3.22Å; Q46-I49 PolarHBondContact O-N 2.87Å; Q46-I49 VanDerWaalsContact O-N 3.14Å; Q46-G141 PolarHBondContact NE2-O 3.26Å; Q46-P143 HydrophobicContact CB-CG 4.38Å; Q46-P143 HydrophobicContact CG-CG 4.3Å; Q46-E240 PolarHBondContact NE2-OE1 3.38Å
47C94.2Very high95.8Very high96 Ų9633.3 Ų33.365%0.64918%0.181SC*.THydrogen-bonded Turntrans-64.8-19.8176.361.40000114.4K45 I49K45-C47 PolarHBondContact O-N 3.25Å; K45-C47 VanDerWaalsContact O-N 3.15Å; C47-I49 VanDerWaalsContact C-N 3.31Å
48D96.5Very high95.6Very high4 Ų434.3 Ų34.32%0.02119%0.186CC..Hα-helixtrans-80.6-10.6177-70.9-22.9000112L41 K45 Q46 A50 K51 W52L41-D48 HydrophobicContact CD2-CB 4.06Å; K45-D48 HydrophobicContact CB-CB 4.31Å; K45-D48 WeakPolarHBondContact CD-OD2 3.31Å; K45-D48 IonicContact NZ-OD2 3.72Å; K45-D48 PolarHBondContact NZ-OD2 2.88Å; K45-D48 WeakPolarHBondContact O-CB 2.97Å; K45-D48 PolarHBondContact O-N 2.77Å; Q46-D48 PolarHBondContact O-N 3.39Å; D48-A50 VanDerWaalsContact C-N 3.33Å; D48-A50 PolarHBondContact O-N 3.33Å; D48-K51 PolarHBondContact O-N 2.99Å; D48-K51 VanDerWaalsContact O-N 3.15Å; D48-K51 IonicContact OD1-NZ 3.42Å; D48-K51 PolarHBondContact OD1-NZ 2.93Å; D48-W52 VanDerWaalsContact O-CD1 3.26Å; D48-W52 PolarHBondContact O-N 2.86Å
49I97.4Very high95.4Very high9 Ų934.1 Ų34.15%0.04618%0.182CC..Hα-helixtrans-56-47.5178-66.7170.2000110.9L41 Q46 C47 K51 W52 Q53 P143 E145 L146 L149L41-I49 HydrophobicContact CB-CG1 4.19Å; L41-I49 HydrophobicContact CD2-CG1 4.07Å; Q46-I49 HydrophobicContact CB-CD1 4.43Å; Q46-I49 WeakPolarHBondContact O-CB 3.47Å; Q46-I49 WeakPolarHBondContact O-CD1 3.46Å; Q46-I49 WeakPolarHBondContact O-CG1 3.22Å; Q46-I49 PolarHBondContact O-N 2.87Å; Q46-I49 VanDerWaalsContact O-N 3.14Å; C47-I49 VanDerWaalsContact C-N 3.31Å; I49-K51 VanDerWaalsContact C-N 3.34Å; I49-K51 PolarHBondContact O-N 3.48Å; I49-W52 PolarHBondContact O-N 2.92Å; I49-Q53 PolarHBondContact O-N 3.42Å; I49-P143 HydrophobicContact CD1-CB 3.98Å; I49-P143 HydrophobicContact CD1-CG 3.79Å; I49-E145 HydrophobicContact CG2-CB 4.01Å; I49-L146 HydrophobicContact CD1-CB 4.27Å; I49-L146 HydrophobicContact CD1-CD1 4.46Å; I49-L146 HydrophobicContact CG1-CD1 4.43Å; I49-L149 HydrophobicContact CB-CD2 4.49Å; I49-L149 HydrophobicContact CG2-CB 4.49Å; I49-L149 HydrophobicContact CG2-CD2 4.07Å
50A96.2Very high95.2Very high67 Ų6736.5 Ų36.555%0.55419%0.19SC*.Hα-helixtrans-64.5-38.3179.400000112.2D48 Q53 T54D48-A50 VanDerWaalsContact C-N 3.33Å; D48-A50 PolarHBondContact O-N 3.33Å; A50-Q53 PolarHBondContact O-N 2.84Å; A50-T54 PolarHBondContact O-N 3.45Å; A50-T54 PolarHBondContact O-OG1 2.87Å; A50-T54 VanDerWaalsContact O-OG1 3.12Å
51K96.1Very high94.8Very high72 Ų7240.9 Ų40.931%0.31322%0.217SC..Hα-helixtrans-65.5-43.4177.5-59.5-179.7-171.1160.20111.4D48 I49 Q53 T54 L55 Y71 I75D48-K51 PolarHBondContact O-N 2.99Å; D48-K51 VanDerWaalsContact O-N 3.15Å; D48-K51 IonicContact OD1-NZ 3.42Å; D48-K51 PolarHBondContact OD1-NZ 2.93Å; I49-K51 VanDerWaalsContact C-N 3.34Å; I49-K51 PolarHBondContact O-N 3.48Å; K51-Q53 VanDerWaalsContact C-N 3.34Å; K51-T54 WeakPolarHBondContact O-CB 3.41Å; K51-T54 PolarHBondContact O-N 3.12Å; K51-L55 PolarHBondContact O-N 3.48Å; K51-Y71 HydrophobicContact CB-CD1 4.36Å; K51-I75 HydrophobicContact CB-CD1 3.87Å; K51-I75 HydrophobicContact CB-CG1 4.32Å; K51-I75 HydrophobicContact CD-CG1 4.18Å
52W97.8Very high94.1Very high0 Ų043.8 Ų43.80%024%0.235CC..Hα-helixtrans-63.5-39.2174.7-81.5117.8000112.6Y36 D48 I49 L55 V56 L72 I75 L76 P86 F90 L149Y36-W52 HydrophobicContact CE1-CZ2 4.04Å; Y36-W52 AromaticContact CE1-NE1 3.98Å; Y36-W52 AromaticContact CZ-NE1 3.64Å; Y36-W52 PolarHBondContact OH-NE1 3.42Å; D48-W52 VanDerWaalsContact O-CD1 3.26Å; D48-W52 PolarHBondContact O-N 2.86Å; I49-W52 PolarHBondContact O-N 2.92Å; W52-L55 HydrophobicContact CD2-CD1 4.31Å; W52-L55 HydrophobicContact CE3-CB 4.44Å; W52-L55 HydrophobicContact CE3-CD1 3.62Å; W52-L55 HydrophobicContact CZ3-CD1 3.84Å; W52-L55 WeakPolarHBondContact O-CB 3.38Å; W52-L55 PolarHBondContact O-N 2.9Å; W52-V56 WeakPolarHBondContact O-CG2 3.34Å; W52-V56 PolarHBondContact O-N 3.18Å; W52-L72 HydrophobicContact CH2-CD2 3.81Å; W52-L72 HydrophobicContact CZ3-CD2 3.64Å; W52-I75 HydrophobicContact CD2-CD1 3.9Å; W52-I75 HydrophobicContact CE3-CD1 4.38Å; W52-I75 HydrophobicContact CG-CD1 4.14Å; W52-I75 HydrophobicContact CZ2-CB 4.48Å; W52-I75 HydrophobicContact CZ2-CD1 4.39Å; W52-I75 HydrophobicContact CZ2-CG2 3.6Å; W52-L76 HydrophobicContact CZ2-CD2 4.3Å; W52-P86 HydrophobicContact CB-CG 3.92Å; W52-P86 HydrophobicContact CD2-CB 4.26Å; W52-P86 HydrophobicContact CD2-CG 3.25Å; W52-P86 HydrophobicContact CE3-CB 4.16Å; W52-P86 HydrophobicContact CE3-CG 3.59Å; W52-P86 HydrophobicContact CG-CB 4.49Å; W52-P86 HydrophobicContact CG-CG 3.44Å; W52-P86 VanDerWaalsContact CG-CG 3.44Å; W52-P86 HydrophobicContact CH2-CG 4.49Å; W52-P86 HydrophobicContact CZ2-CG 4.21Å; W52-P86 HydrophobicContact CZ3-CG 4.2Å; W52-F90 HydrophobicContact CE3-CD2 4.21Å; W52-F90 AromaticContact CE3-CE2 3.76Å; W52-F90 HydrophobicContact CE3-CE2 3.76Å; W52-F90 HydrophobicContact CE3-CZ 4.25Å; W52-F90 AromaticContact CZ3-CD2 3.63Å; W52-F90 HydrophobicContact CZ3-CD2 3.63Å; W52-F90 AromaticContact CZ3-CE2 3.67Å; W52-F90 HydrophobicContact CZ3-CE2 3.67Å; W52-F90 HydrophobicContact CZ3-CG 4.29Å; W52-F90 HydrophobicContact CZ3-CZ 4.36Å; W52-L149 HydrophobicContact CB-CD1 3.75Å; W52-L149 HydrophobicContact CB-CD2 3.67Å; W52-L149 HydrophobicContact CB-CG 4.38Å; W52-L149 HydrophobicContact CG-CD2 4.42Å
53Q97.3Very high93.5Very high22 Ų2249.2 Ų49.210%0.10326%0.26CS..Hα-helixtrans-62.9-44.3175-175.264.959.400111I49 A50 K51 L55 V56 D57 D152I49-Q53 PolarHBondContact O-N 3.42Å; A50-Q53 PolarHBondContact O-N 2.84Å; K51-Q53 VanDerWaalsContact C-N 3.34Å; Q53-L55 VanDerWaalsContact C-N 3.3Å; Q53-L55 PolarHBondContact O-N 2.73Å; Q53-V56 PolarHBondContact O-N 2.65Å; Q53-D57 PolarHBondContact NE2-OD1 2.99Å; Q53-D57 PolarHBondContact O-N 3.47Å; Q53-D152 PolarHBondContact NE2-OD2 2.79Å
54T95.1Very high93.2Very high51 Ų5154.8 Ų54.831%0.31328%0.278SS..Hα-helixtrans-57.4-43.4173.3-60.20000111.5A50 K51 D57 Q58 Y71A50-T54 PolarHBondContact O-N 3.45Å; A50-T54 PolarHBondContact O-OG1 2.87Å; A50-T54 VanDerWaalsContact O-OG1 3.12Å; K51-T54 WeakPolarHBondContact O-CB 3.41Å; K51-T54 PolarHBondContact O-N 3.12Å; T54-D57 PolarHBondContact O-N 2.84Å; T54-Q58 HydrophobicContact CG2-CG 4.28Å; T54-Q58 WeakPolarHBondContact O-CB 3.41Å; T54-Q58 VanDerWaalsContact O-CG 3.3Å; T54-Q58 WeakPolarHBondContact O-CG 3.48Å; T54-Q58 PolarHBondContact O-N 3.11Å; T54-Y71 HydrophobicContact CG2-CE2 4.34Å
55L96.2Very high93Very high0 Ų053.4 Ų53.40%028%0.281CS..Hα-helixtrans-59-46.1174.9-89.9171.1000112.6K51 W52 Q53 D57 Q58 V59 I68 Y71 L72 I75 F90K51-L55 PolarHBondContact O-N 3.48Å; W52-L55 HydrophobicContact CD2-CD1 4.31Å; W52-L55 HydrophobicContact CE3-CB 4.44Å; W52-L55 HydrophobicContact CE3-CD1 3.62Å; W52-L55 HydrophobicContact CZ3-CD1 3.84Å; W52-L55 WeakPolarHBondContact O-CB 3.38Å; W52-L55 PolarHBondContact O-N 2.9Å; Q53-L55 VanDerWaalsContact C-N 3.3Å; Q53-L55 PolarHBondContact O-N 2.73Å; L55-D57 VanDerWaalsContact C-N 3.31Å; L55-D57 PolarHBondContact O-N 3.39Å; L55-Q58 PolarHBondContact O-N 2.79Å; L55-V59 WeakPolarHBondContact O-CG2 3.28Å; L55-V59 PolarHBondContact O-N 2.96Å; L55-I68 HydrophobicContact CD2-CB 4.26Å; L55-I68 HydrophobicContact CD2-CG1 4.43Å; L55-I68 HydrophobicContact CD2-CG2 3.95Å; L55-Y71 HydrophobicContact CD2-CG 4.37Å; L55-Y71 HydrophobicContact CG-CG 4.24Å; L55-L72 HydrophobicContact CD1-CD2 3.87Å; L55-L72 HydrophobicContact CD1-CG 4.18Å; L55-L72 HydrophobicContact CD2-CG 4.17Å; L55-I75 HydrophobicContact CD1-CD1 3.55Å; L55-F90 HydrophobicContact CB-CE1 3.86Å; L55-F90 HydrophobicContact CB-CZ 3.83Å
56V96.5Very high92.8Very high0 Ų060 Ų600%031%0.312CS..Hα-helixtrans-59.8-45.5176.7173.50000110.3W52 Q53 Q58 R60 F90 L149 D152 L156W52-V56 WeakPolarHBondContact O-CG2 3.34Å; W52-V56 PolarHBondContact O-N 3.18Å; Q53-V56 PolarHBondContact O-N 2.65Å; V56-Q58 PolarHBondContact O-N 2.9Å; V56-R60 WeakPolarHBondContact O-CB 3.34Å; V56-R60 VanDerWaalsContact O-CG 3.29Å; V56-R60 WeakPolarHBondContact O-CG 3.47Å; V56-R60 PolarHBondContact O-N 3.16Å; V56-R60 VanDerWaalsContact O-N 3.09Å; V56-F90 HydrophobicContact CB-CZ 4.39Å; V56-F90 HydrophobicContact CG2-CE2 4.09Å; V56-F90 HydrophobicContact CG2-CZ 3.63Å; V56-L149 HydrophobicContact CG2-CD1 4.04Å; V56-D152 HydrophobicContact CG1-CB 3.74Å; V56-L156 HydrophobicContact CG1-CD2 4.31Å; V56-L156 HydrophobicContact CG2-CD2 4.46Å
57D94.7Very high92.7Very high64 Ų6459.6 Ų59.634%0.34231%0.31SS..Hα-helixtrans-65.4-39.9-179.9-61.2-21.9000111.4Q53 T54 L55 R60 T61Q53-D57 PolarHBondContact NE2-OD1 2.99Å; Q53-D57 PolarHBondContact O-N 3.47Å; T54-D57 PolarHBondContact O-N 2.84Å; L55-D57 VanDerWaalsContact C-N 3.31Å; L55-D57 PolarHBondContact O-N 3.39Å; D57-R60 PolarHBondContact O-N 3.28Å; D57-T61 WeakPolarHBondContact O-CB 3.41Å; D57-T61 WeakPolarHBondContact O-CG2 3.26Å; D57-T61 PolarHBondContact O-N 3.45Å; D57-T61 PolarHBondContact O-OG1 3.37Å
58Q93.3Very high92.6Very high21 Ų2155.1 Ų55.110%0.09828%0.28CS..Hα-helixtrans-65.9-45.8177.5-76.3-172.6-1700112.7T54 L55 V56 R60 T61 T62 H63 E67 I68T54-Q58 HydrophobicContact CG2-CG 4.28Å; T54-Q58 WeakPolarHBondContact O-CB 3.41Å; T54-Q58 VanDerWaalsContact O-CG 3.3Å; T54-Q58 WeakPolarHBondContact O-CG 3.48Å; T54-Q58 PolarHBondContact O-N 3.11Å; L55-Q58 PolarHBondContact O-N 2.79Å; V56-Q58 PolarHBondContact O-N 2.9Å; Q58-R60 PolarHBondContact O-N 3.12Å; Q58-T61 PolarHBondContact O-N 2.91Å; Q58-T62 PolarHBondContact O-N 3.07Å; Q58-T62 PolarHBondContact O-OG1 3.28Å; Q58-H63 PolarHBondContact O-N 2.97Å; Q58-E67 PolarHBondContact NE2-OE2 2.9Å; Q58-I68 HydrophobicContact CB-CG1 4.15Å
59V92.8Very high92.4Very high11 Ų1157.3 Ų57.37%0.06729%0.29CS..Hα-helixtrans-63.5-31.8176.3171.70000111.3L55 H63 I68 F90 L156L55-V59 WeakPolarHBondContact O-CG2 3.28Å; L55-V59 PolarHBondContact O-N 2.96Å; V59-H63 PolarHBondContact O-CE1 2.92Å; V59-H63 PolarHBondContact O-ND1 3.3Å; V59-H63 VanDerWaalsContact O-ND1 3.11Å; V59-I68 HydrophobicContact CG2-CD1 3.72Å; V59-I68 HydrophobicContact CG2-CG1 4.07Å; V59-I68 HydrophobicContact CG2-CG2 4.15Å; V59-F90 HydrophobicContact CB-CE1 4.24Å; V59-F90 HydrophobicContact CG2-CD1 3.81Å; V59-F90 HydrophobicContact CG2-CE1 3.54Å; V59-L156 HydrophobicContact CB-CD2 4.23Å; V59-L156 HydrophobicContact CG1-CD1 3.8Å; V59-L156 HydrophobicContact CG1-CD2 3.98Å; V59-L156 HydrophobicContact CG1-CG 4.5Å
60R90.1Very high92.2Very high79 Ų7962.2 Ų62.230%0.29831%0.308SS..Hα-helixtrans-80-22.6178.3-72.5179.370.5-165.6-4.1114.5V56 D57 Q58 D152 L156 D161V56-R60 WeakPolarHBondContact O-CB 3.34Å; V56-R60 VanDerWaalsContact O-CG 3.29Å; V56-R60 WeakPolarHBondContact O-CG 3.47Å; V56-R60 PolarHBondContact O-N 3.16Å; V56-R60 VanDerWaalsContact O-N 3.09Å; D57-R60 PolarHBondContact O-N 3.28Å; Q58-R60 PolarHBondContact O-N 3.12Å; R60-D152 IonicContact NH1-OD1 3.54Å; R60-L156 HydrophobicContact CG-CD1 4.1Å; R60-D161 IonicContact CZ-OD1 2.63Å; R60-D161 IonicContact CZ-OD2 2.9Å; R60-D161 IonicContact NE-OD1 2.94Å; R60-D161 PolarHBondContact NE-OD1 3.41Å; R60-D161 IonicContact NE-OD2 2.74Å; R60-D161 PolarHBondContact NE-OD2 3.21Å; R60-D161 IonicContact NH2-OD1 2.83Å; R60-D161 PolarHBondContact NH2-OD1 2.79Å; R60-D161 IonicContact NH2-OD2 2.77Å; R60-D161 PolarHBondContact NH2-OD2 3.27Å
61T89.4Confident92Very high99 Ų9961.4 Ų61.461%0.60729%0.29SS*.Hα-helixtrans-122.6-56.9-167.959.60000114D57 Q58D57-T61 WeakPolarHBondContact O-CB 3.41Å; D57-T61 WeakPolarHBondContact O-CG2 3.26Å; D57-T61 PolarHBondContact O-N 3.45Å; D57-T61 PolarHBondContact O-OG1 3.37Å; Q58-T61 PolarHBondContact O-N 2.91Å
62T80.5Confident92Very high64 Ų6458 Ų5839%0.39328%0.276SS..THydrogen-bonded Turntrans-99.7-24.1-16763.60000113.5Q58 R64Q58-T62 PolarHBondContact O-N 3.07Å; Q58-T62 PolarHBondContact O-OG1 3.28Å; T62-R64 PolarHBondContact O-N 3.38Å
63H82.9Confident91.7Very high124 Ų12460.3 Ų60.357%0.57429%0.292SS*.  trans49.738.5-177.7-56.7-80.6000113.1Q58 V59 D65Q58-H63 PolarHBondContact O-N 2.97Å; V59-H63 PolarHBondContact O-CE1 2.92Å; V59-H63 PolarHBondContact O-ND1 3.3Å; V59-H63 VanDerWaalsContact O-ND1 3.11Å; H63-D65 PolarHBondContact O-N 2.99Å; H63-D65 VanDerWaalsContact O-N 3.1Å
64R87.3Confident91.5Very high139 Ų13963.4 Ų63.453%0.52531%0.307SS..  trans-81.287.3178.7-68.9-176.5-172.8-176.41.8110.5T62 E66 E67 I68T62-R64 PolarHBondContact O-N 3.38Å; R64-E66 VanDerWaalsContact C-N 3.27Å; R64-E66 PolarHBondContact O-N 3.43Å; R64-E67 HydrophobicContact CB-CB 4.16Å; R64-E67 HydrophobicContact CB-CG 4.29Å; R64-E67 WeakPolarHBondContact CD-OE1 3.39Å; R64-E67 IonicContact CZ-OE1 3.14Å; R64-E67 IonicContact NE-OE1 2.72Å; R64-E67 IonicContact NH1-OE1 2.6Å; R64-E67 PolarHBondContact NH1-OE1 3.23Å; R64-E67 PolarHBondContact O-N 3.12Å; R64-I68 WeakPolarHBondContact O-CG1 3.19Å; R64-I68 PolarHBondContact O-N 2.89Å
65D89.7Confident91.6Very high100 Ų10061 Ų6154%0.53529%0.292SS..Hα-helixtrans-50.1-43.7-175.5-69.8-9.6000113.3H63 E67 I68 H69H63-D65 PolarHBondContact O-N 2.99Å; H63-D65 VanDerWaalsContact O-N 3.1Å; D65-E67 PolarHBondContact O-N 3.36Å; D65-I68 PolarHBondContact O-N 3.09Å; D65-H69 WeakPolarHBondContact O-CB 3.35Å; D65-H69 PolarHBondContact O-CD2 3.49Å; D65-H69 PolarHBondContact O-N 2.88Å
66E90.4Very high91.6Very high176 Ų17661 Ų6182%0.82229%0.292SS*.Hα-helixtrans-61.3-42.8179.5-65.5-179.2176.400112.9R64 R70R64-E66 VanDerWaalsContact C-N 3.27Å; R64-E66 PolarHBondContact O-N 3.43Å; E66-R70 WeakPolarHBondContact O-CB 3.5Å; E66-R70 PolarHBondContact O-N 2.93Å
67E91.5Very high91.5Very high54 Ų5465.3 Ų65.325%0.25232%0.318SS..Hα-helixtrans-70-44.5178-69-175-146.900110.9Q58 R64 D65 H69 R70 Y71Q58-E67 PolarHBondContact NE2-OE2 2.9Å; R64-E67 HydrophobicContact CB-CB 4.16Å; R64-E67 HydrophobicContact CB-CG 4.29Å; R64-E67 WeakPolarHBondContact CD-OE1 3.39Å; R64-E67 IonicContact CZ-OE1 3.14Å; R64-E67 IonicContact NE-OE1 2.72Å; R64-E67 IonicContact NH1-OE1 2.6Å; R64-E67 PolarHBondContact NH1-OE1 3.23Å; R64-E67 PolarHBondContact O-N 3.12Å; D65-E67 PolarHBondContact O-N 3.36Å; E67-H69 VanDerWaalsContact C-N 3.34Å; E67-H69 PolarHBondContact O-N 3.01Å; E67-R70 PolarHBondContact O-N 3.5Å; E67-Y71 VanDerWaalsContact O-CD2 3.27Å; E67-Y71 WeakPolarHBondContact O-CD2 3.26Å; E67-Y71 PolarHBondContact O-N 2.9Å
68I93Very high91.5Very high2 Ų264 Ų641%0.0132%0.319CS..Hα-helixtrans-58.9-47.5177.3-67.9161000110.1L55 Q58 V59 R64 D65 R70 Y71 L72 E93L55-I68 HydrophobicContact CD2-CB 4.26Å; L55-I68 HydrophobicContact CD2-CG1 4.43Å; L55-I68 HydrophobicContact CD2-CG2 3.95Å; Q58-I68 HydrophobicContact CB-CG1 4.15Å; V59-I68 HydrophobicContact CG2-CD1 3.72Å; V59-I68 HydrophobicContact CG2-CG1 4.07Å; V59-I68 HydrophobicContact CG2-CG2 4.15Å; R64-I68 WeakPolarHBondContact O-CG1 3.19Å; R64-I68 PolarHBondContact O-N 2.89Å; D65-I68 PolarHBondContact O-N 3.09Å; I68-R70 VanDerWaalsContact C-N 3.34Å; I68-R70 PolarHBondContact O-N 2.7Å; I68-Y71 PolarHBondContact O-N 3.35Å; I68-L72 HydrophobicContact CG2-CD1 3.85Å; I68-L72 HydrophobicContact CG2-CG 4.44Å; I68-L72 WeakPolarHBondContact O-CB 3.44Å; I68-L72 WeakPolarHBondContact O-CG 3.43Å; I68-L72 PolarHBondContact O-N 3.22Å; I68-E93 HydrophobicContact CG2-CB 4.22Å; I68-E93 HydrophobicContact CG2-CG 3.87Å
69H92.9Very high91.7Very high50 Ų5063.2 Ų63.223%0.23132%0.315CS..Hα-helixtrans-62.3-41178.7-71.5-166.9000112D65 E67 S73 I97D65-H69 WeakPolarHBondContact O-CB 3.35Å; D65-H69 PolarHBondContact O-CD2 3.49Å; D65-H69 PolarHBondContact O-N 2.88Å; E67-H69 VanDerWaalsContact C-N 3.34Å; E67-H69 PolarHBondContact O-N 3.01Å; H69-S73 VanDerWaalsContact O-CB 3.3Å; H69-S73 WeakPolarHBondContact O-CB 3.24Å; H69-S73 PolarHBondContact O-N 2.95Å; H69-S73 PolarHBondContact O-OG 2.87Å; H69-I97 HydrophobicContact CB-CD1 3.98Å; H69-I97 HydrophobicContact CB-CG1 3.99Å
70R92.2Very high91.9Very high112 Ų11262.9 Ų62.942%0.42331%0.313SS..Hα-helixtrans-62.6-50.9176.2-177.4178.661.281.32.1111.4E66 E67 I68 L72 S73 E74E66-R70 WeakPolarHBondContact O-CB 3.5Å; E66-R70 PolarHBondContact O-N 2.93Å; E67-R70 PolarHBondContact O-N 3.5Å; I68-R70 VanDerWaalsContact C-N 3.34Å; I68-R70 PolarHBondContact O-N 2.7Å; R70-L72 PolarHBondContact O-N 3.43Å; R70-S73 PolarHBondContact O-N 2.96Å; R70-E74 WeakPolarHBondContact CG-OE1 3.25Å; R70-E74 IonicContact CZ-OE1 3.43Å; R70-E74 IonicContact NH1-OE1 2.66Å; R70-E74 PolarHBondContact NH1-OE1 2.96Å; R70-E74 IonicContact NH1-OE2 2.78Å; R70-E74 WeakPolarHBondContact O-CB 3.31Å; R70-E74 WeakPolarHBondContact O-CG 3.22Å; R70-E74 PolarHBondContact O-N 3.5Å
71Y93Very high92.3Very high49 Ų4959.1 Ų59.119%0.19230%0.299CS..Hα-helixtrans-61.1-44.4179-87-72.2000112.4K51 T54 L55 E67 I68 S73 E74 I75K51-Y71 HydrophobicContact CB-CD1 4.36Å; T54-Y71 HydrophobicContact CG2-CE2 4.34Å; L55-Y71 HydrophobicContact CD2-CG 4.37Å; L55-Y71 HydrophobicContact CG-CG 4.24Å; E67-Y71 VanDerWaalsContact O-CD2 3.27Å; E67-Y71 WeakPolarHBondContact O-CD2 3.26Å; E67-Y71 PolarHBondContact O-N 2.9Å; I68-Y71 PolarHBondContact O-N 3.35Å; Y71-S73 VanDerWaalsContact C-N 3.34Å; Y71-S73 PolarHBondContact O-N 3.23Å; Y71-E74 PolarHBondContact O-N 2.96Å; Y71-I75 VanDerWaalsContact O-CG1 3.28Å; Y71-I75 WeakPolarHBondContact O-CG1 3.13Å; Y71-I75 PolarHBondContact O-N 3.22Å
72L95.6Very high92.8Very high0 Ų054.5 Ų54.50%027%0.271CS..Hα-helixtrans-60.2-45.4176.6-73.9171.7000111.2W52 L55 I68 R70 E74 I75 L76 F90 E93 L94 I97W52-L72 HydrophobicContact CH2-CD2 3.81Å; W52-L72 HydrophobicContact CZ3-CD2 3.64Å; L55-L72 HydrophobicContact CD1-CD2 3.87Å; L55-L72 HydrophobicContact CD1-CG 4.18Å; L55-L72 HydrophobicContact CD2-CG 4.17Å; I68-L72 HydrophobicContact CG2-CD1 3.85Å; I68-L72 HydrophobicContact CG2-CG 4.44Å; I68-L72 WeakPolarHBondContact O-CB 3.44Å; I68-L72 WeakPolarHBondContact O-CG 3.43Å; I68-L72 PolarHBondContact O-N 3.22Å; R70-L72 PolarHBondContact O-N 3.43Å; L72-E74 PolarHBondContact O-N 3.5Å; L72-I75 PolarHBondContact O-N 2.83Å; L72-L76 VanDerWaalsContact O-CB 3.3Å; L72-L76 WeakPolarHBondContact O-CB 3.5Å; L72-L76 VanDerWaalsContact O-CG 3.3Å; L72-L76 WeakPolarHBondContact O-CG 3.29Å; L72-L76 PolarHBondContact O-N 3.38Å; L72-L76 VanDerWaalsContact O-N 3.08Å; L72-F90 HydrophobicContact CD1-CB 4.41Å; L72-F90 HydrophobicContact CD2-CB 4.17Å; L72-F90 HydrophobicContact CD2-CD1 4.46Å; L72-F90 HydrophobicContact CD2-CG 4.24Å; L72-E93 HydrophobicContact CD1-CB 3.66Å; L72-L94 HydrophobicContact CB-CD2 4.47Å; L72-L94 HydrophobicContact CD1-CD2 4.27Å; L72-L94 HydrophobicContact CD1-CG 4.48Å; L72-L94 HydrophobicContact CD2-CD2 4.27Å; L72-I97 HydrophobicContact CB-CD1 3.93Å; L72-I97 HydrophobicContact CD1-CD1 3.69Å; L72-I97 HydrophobicContact CG-CD1 4.47Å
73S92.3Very high93.6Very high49 Ų4951.5 Ų51.534%0.34325%0.252SS..Hα-helixtrans-64.4-38.9178.4-57.90000112.5H69 R70 Y71 V77H69-S73 VanDerWaalsContact O-CB 3.3Å; H69-S73 WeakPolarHBondContact O-CB 3.24Å; H69-S73 PolarHBondContact O-N 2.95Å; H69-S73 PolarHBondContact O-OG 2.87Å; R70-S73 PolarHBondContact O-N 2.96Å; Y71-S73 VanDerWaalsContact C-N 3.34Å; Y71-S73 PolarHBondContact O-N 3.23Å; S73-V77 PolarHBondContact O-N 3.28Å
74E93.1Very high94.3Very high88 Ų8846.2 Ų46.241%0.41123%0.228SC..Hα-helixtrans-66.4-43.5176.6-77.6176.7-160.100112.4R70 Y71 L72 V77R70-E74 WeakPolarHBondContact CG-OE1 3.25Å; R70-E74 IonicContact CZ-OE1 3.43Å; R70-E74 IonicContact NH1-OE1 2.66Å; R70-E74 PolarHBondContact NH1-OE1 2.96Å; R70-E74 IonicContact NH1-OE2 2.78Å; R70-E74 WeakPolarHBondContact O-CB 3.31Å; R70-E74 WeakPolarHBondContact O-CG 3.22Å; R70-E74 PolarHBondContact O-N 3.5Å; Y71-E74 PolarHBondContact O-N 2.96Å; L72-E74 PolarHBondContact O-N 3.5Å; E74-V77 WeakPolarHBondContact O-CG1 3.24Å
75I95.8Very high94.8Very high0 Ų040 Ų400%021%0.206CC..Hα-helixtrans-69.7-38.8-177.8-68.1168.4000111.5Y36 K45 K51 W52 L55 Y71 L72Y36-I75 HydrophobicContact CE2-CG2 3.91Å; K45-I75 PolarHBondContact NZ-O 3.13Å; K51-I75 HydrophobicContact CB-CD1 3.87Å; K51-I75 HydrophobicContact CB-CG1 4.32Å; K51-I75 HydrophobicContact CD-CG1 4.18Å; W52-I75 HydrophobicContact CD2-CD1 3.9Å; W52-I75 HydrophobicContact CE3-CD1 4.38Å; W52-I75 HydrophobicContact CG-CD1 4.14Å; W52-I75 HydrophobicContact CZ2-CB 4.48Å; W52-I75 HydrophobicContact CZ2-CD1 4.39Å; W52-I75 HydrophobicContact CZ2-CG2 3.6Å; L55-I75 HydrophobicContact CD1-CD1 3.55Å; Y71-I75 VanDerWaalsContact O-CG1 3.28Å; Y71-I75 WeakPolarHBondContact O-CG1 3.13Å; Y71-I75 PolarHBondContact O-N 3.22Å; L72-I75 PolarHBondContact O-N 2.83Å
76L96.5Very high95.1Very high1 Ų135.4 Ų35.41%0.00518%0.181CC..THydrogen-bonded Turntrans-957.3-170.9-59.3173000113.5L8 Y36 W52 L72 G78 Y79 V82 L94L8-L76 HydrophobicContact CD1-CD1 3.97Å; Y36-L76 HydrophobicContact CD1-CD2 4.25Å; Y36-L76 HydrophobicContact CD2-CD2 3.65Å; Y36-L76 HydrophobicContact CE2-CD2 4.22Å; Y36-L76 HydrophobicContact CG-CD2 3.69Å; W52-L76 HydrophobicContact CZ2-CD2 4.3Å; L72-L76 VanDerWaalsContact O-CB 3.3Å; L72-L76 WeakPolarHBondContact O-CB 3.5Å; L72-L76 VanDerWaalsContact O-CG 3.3Å; L72-L76 WeakPolarHBondContact O-CG 3.29Å; L72-L76 PolarHBondContact O-N 3.38Å; L72-L76 VanDerWaalsContact O-N 3.08Å; L76-G78 PolarHBondContact O-N 3.01Å; L76-Y79 WeakPolarHBondContact O-CB 3.4Å; L76-Y79 PolarHBondContact O-N 3.42Å; L76-Y79 VanDerWaalsContact O-N 3.17Å; L76-V82 HydrophobicContact CD2-CB 4.43Å; L76-V82 HydrophobicContact CD2-CG2 4.02Å; L76-L94 HydrophobicContact CD1-CD2 3.52Å
77V94.4Very high95.5Very high89 Ų8927.1 Ų27.154%0.53914%0.143SC..THydrogen-bonded Turntrans-55.3134.4170.772.70000110.9S73 E74 Y79S73-V77 PolarHBondContact O-N 3.28Å; E74-V77 WeakPolarHBondContact O-CG1 3.24Å; V77-Y79 VanDerWaalsContact C-N 3.34Å; V77-Y79 VanDerWaalsContact O-CD2 3.31Å; V77-Y79 WeakPolarHBondContact O-CD2 3.33Å
78G94.8Very high95.7Very high36 Ų3624.6 Ų24.637%0.37113%0.131SC..THydrogen-bonded Turntrans80.41.5-177.900000116.3T6 L76T6-G78 VanDerWaalsContact CG2-N 3.32Å; T6-G78 PolarHBondContact OG1-N 3.34Å; L76-G78 PolarHBondContact O-N 3.01Å
79Y97.2Very high95.9Very high6 Ų625 Ų252%0.02413%0.134CC..  trans-103.7137.3176.2-65.8-88.6000112.3T6 L8 P34 Y36 E40 R44 K45 L76 V77T6-Y79 WeakPolarHBondContact CG2-O 3.35Å; L8-Y79 WeakPolarHBondContact CD2-O 3.24Å; P34-Y79 HydrophobicContact CB-CD1 3.69Å; P34-Y79 HydrophobicContact CB-CE1 3.88Å; P34-Y79 WeakPolarHBondContact O-CA 3.28Å; Y36-Y79 HydrophobicContact CD2-CD1 4.15Å; Y36-Y79 AromaticContact CD2-CD2 3.85Å; Y36-Y79 HydrophobicContact CD2-CD2 3.85Å; Y36-Y79 AromaticContact CD2-CE1 3.8Å; Y36-Y79 HydrophobicContact CD2-CE1 3.8Å; Y36-Y79 AromaticContact CD2-CE2 3.53Å; Y36-Y79 HydrophobicContact CD2-CE2 3.53Å; Y36-Y79 HydrophobicContact CD2-CG 4.14Å; Y36-Y79 AromaticContact CD2-CZ 3.48Å; Y36-Y79 VanDerWaalsContact CD2-CZ 3.48Å; Y36-Y79 HydrophobicContact CE2-CE2 4.11Å; Y36-Y79 HydrophobicContact CG-CD1 4.42Å; Y36-Y79 HydrophobicContact CG-CE1 4.26Å; E40-Y79 HydrophobicContact CG-CE1 4.36Å; E40-Y79 WeakPolarHBondContact OE2-CE1 3.36Å; R44-Y79 VanDerWaalsContact CZ-OH 3.26Å; R44-Y79 PolarHBondContact NE-OH 2.99Å; R44-Y79 PolarHBondContact NH2-OH 3.36Å; K45-Y79 HydrophobicContact CD-CE2 4.47Å; K45-Y79 WeakPolarHBondContact CD-OH 3.42Å; K45-Y79 VanDerWaalsContact CE-OH 3.3Å; K45-Y79 WeakPolarHBondContact CE-OH 3.35Å; L76-Y79 WeakPolarHBondContact O-CB 3.4Å; L76-Y79 PolarHBondContact O-N 3.42Å; L76-Y79 VanDerWaalsContact O-N 3.17Å; V77-Y79 VanDerWaalsContact C-N 3.34Å; V77-Y79 VanDerWaalsContact O-CD2 3.31Å; V77-Y79 WeakPolarHBondContact O-CD2 3.33Å
80V97.7Very high96Very high4 Ų422.6 Ų22.62%0.02412%0.123CC..SBendtrans-89.2-20.8175.173.60000112.2L9 Y31 Q33 P34L9-V80 HydrophobicContact CB-CG2 4.16Å; L9-V80 HydrophobicContact CD1-CG2 3.55Å; L9-V80 HydrophobicContact CG-CG2 3.71Å; L9-V80 PolarHBondContact N-O 3.49Å; Y31-V80 HydrophobicContact CD1-CG2 4.35Å; Y31-V80 HydrophobicContact CD2-CG1 4.05Å; Y31-V80 HydrophobicContact CD2-CG2 4.31Å; Y31-V80 HydrophobicContact CG-CG1 4.12Å; Y31-V80 HydrophobicContact CG-CG2 4Å; Q33-V80 HydrophobicContact CB-CB 3.85Å; Q33-V80 HydrophobicContact CB-CG1 3.76Å; P34-V80 PolarHBondContact O-N 3.48Å
81A98.5Very high96.1Very high0 Ų017.8 Ų17.80%011%0.105CC..EExtended strand (participates in β ladder)trans-150.8166.2-178.600000110.9V10 L27 C35 Y36V10-A81 HydrophobicContact CB-CB 3.92Å; V10-A81 VanDerWaalsContact O-CA 3.24Å; V10-A81 WeakPolarHBondContact O-CA 3.18Å; V10-A81 WeakPolarHBondContact O-CB 3.3Å; L27-A81 HydrophobicContact CB-CB 4.27Å; L27-A81 HydrophobicContact CD1-CB 3.75Å; C35-A81 CarbonylContact C-O 3.57Å; C35-A81 WeakPolarHBondContact CA-O 3.49Å; C35-A81 HydrophobicContact CB-CB 4.1Å; Y36-A81 PolarHBondContact N-O 2.87Å
82V98.5Very high96.2Very high1 Ų120.6 Ų20.61%0.00612%0.119CC..EExtended strand (participates in β ladder)trans-142.7141.5-177.4600000110.3L8 V10 I11 G12 Y36 L76 S87 L94L8-V82 HydrophobicContact CD1-CB 4.43Å; L8-V82 HydrophobicContact CD1-CG1 3.78Å; L8-V82 HydrophobicContact CD2-CB 4.5Å; L8-V82 HydrophobicContact CD2-CG1 4.5Å; V10-V82 PolarHBondContact O-N 2.91Å; V10-V82 VanDerWaalsContact O-N 3.16Å; I11-V82 HydrophobicContact CG2-CG1 4.47Å; G12-V82 WeakPolarHBondContact CA-O 3.23Å; G12-V82 PolarHBondContact N-O 2.73Å; Y36-V82 HydrophobicContact CD1-CG2 4.36Å; Y36-V82 HydrophobicContact CG-CG2 4.46Å; L76-V82 HydrophobicContact CD2-CB 4.43Å; L76-V82 HydrophobicContact CD2-CG2 4.02Å; V82-S87 WeakPolarHBondContact CG2-OG 3.5Å; V82-L94 HydrophobicContact CG1-CD1 4.03Å
83T98.4Very high96.1Very high2 Ų222.4 Ų22.41%0.01213%0.127CC..  trans-147.4164.2-178.4590000110.5M23 L27 Y36 H37 S87M23-T83 HydrophobicContact CB-CG2 4.44Å; M23-T83 HydrophobicContact CG-CG2 4.06Å; L27-T83 HydrophobicContact CD1-CG2 4.31Å; Y36-T83 PolarHBondContact O-N 2.88Å; Y36-T83 PolarHBondContact O-OG1 3.4Å; H37-T83 WeakPolarHBondContact CA-O 3.48Å; H37-T83 PolarHBondContact CD2-OG1 2.89Å; H37-T83 VanDerWaalsContact CD2-OG1 3.27Å; T83-S87 PolarHBondContact O-OG 3.48Å; T83-S87 VanDerWaalsContact O-OG 3.11Å
84D98.1Very high96.3Very high13 Ų1320 Ų207%0.0711%0.111CC..SBendtrans66.9177.7171-160.523.6000114.5S16 T20 H37 G38 S87 C88S16-D84 WeakPolarHBondContact CA-OD1 3.4Å; S16-D84 VanDerWaalsContact CB-OD1 3.27Å; S16-D84 WeakPolarHBondContact CB-OD1 3.38Å; S16-D84 PolarHBondContact OG-OD1 3.33Å; T20-D84 HydrophobicContact CG2-CB 4.11Å; H37-D84 IonicContact CE1-OD2 3.48Å; H37-D84 PolarHBondContact CE1-OD2 3.14Å; H37-D84 IonicContact ND1-OD2 2.79Å; H37-D84 PolarHBondContact ND1-OD2 2.76Å; H37-D84 IonicContact NE2-OD2 3.33Å; G38-D84 PolarHBondContact N-OD2 2.93Å; D84-S87 PolarHBondContact O-N 3.27Å; D84-S87 VanDerWaalsContact O-N 3.14Å; D84-S87 PolarHBondContact O-OG 3.09Å; D84-C88 PolarHBondContact O-N 2.72Å; D84-C88 PolarHBondContact O-SG 3.42Å
85V96.6Very high96.4Very high9 Ų917.1 Ų17.16%0.05510%0.097CC..THydrogen-bonded Turntrans-66.9150.4170.9-65.60000111.5S16 G38 S87 I150 M154S16-V85 WeakPolarHBondContact OG-CG1 3.44Å; S16-V85 VanDerWaalsContact OG-CG2 3.26Å; S16-V85 WeakPolarHBondContact OG-CG2 3.2Å; G38-V85 VanDerWaalsContact CA-O 3.23Å; G38-V85 WeakPolarHBondContact CA-O 3.3Å; G38-V85 PolarHBondContact N-O 3.4Å; V85-S87 VanDerWaalsContact C-N 3.34Å; V85-I150 HydrophobicContact CG2-CG1 4.41Å; V85-M154 HydrophobicContact CG1-CG 4.12Å; V85-M154 HydrophobicContact CG1-SD 3.59Å; V85-M154 VanDerWaalsContact CG1-SD 3.59Å
86P97.4Very high96.3Very high3 Ų320.9 Ų20.92%0.01912%0.123CC..THydrogen-bonded Turncis-79.4-14.4-5.433.3-37.3000113.1L41 W52 C88 A89 F90 L149L41-P86 HydrophobicContact CD1-CG 4.27Å; W52-P86 HydrophobicContact CB-CG 3.92Å; W52-P86 HydrophobicContact CD2-CB 4.26Å; W52-P86 HydrophobicContact CD2-CG 3.25Å; W52-P86 HydrophobicContact CE3-CB 4.16Å; W52-P86 HydrophobicContact CE3-CG 3.59Å; W52-P86 HydrophobicContact CG-CB 4.49Å; W52-P86 HydrophobicContact CG-CG 3.44Å; W52-P86 VanDerWaalsContact CG-CG 3.44Å; W52-P86 HydrophobicContact CH2-CG 4.49Å; W52-P86 HydrophobicContact CZ2-CG 4.21Å; W52-P86 HydrophobicContact CZ3-CG 4.2Å; P86-C88 VanDerWaalsContact C-N 3.33Å; P86-C88 PolarHBondContact O-N 3.16Å; P86-A89 VanDerWaalsContact O-CB 3.31Å; P86-A89 WeakPolarHBondContact O-CB 3.24Å; P86-A89 PolarHBondContact O-N 2.79Å; P86-A89 VanDerWaalsContact O-N 3.07Å; P86-F90 HydrophobicContact CB-CE2 4.43Å; P86-F90 WeakPolarHBondContact O-CD2 3.45Å; P86-L149 HydrophobicContact CB-CD1 4.02Å; P86-L149 HydrophobicContact CB-CG 4.33Å; P86-L149 HydrophobicContact CG-CD1 4.45Å; P86-L149 HydrophobicContact CG-CD2 4.27Å
87S97.3Very high96.2Very high1 Ų122.6 Ų22.61%0.00713%0.132CC..G310 helixtrans-59.3-32.8-167660000116V82 T83 D84 V85 A89 F90V82-S87 WeakPolarHBondContact CG2-OG 3.5Å; T83-S87 PolarHBondContact O-OG 3.48Å; T83-S87 VanDerWaalsContact O-OG 3.11Å; D84-S87 PolarHBondContact O-N 3.27Å; D84-S87 VanDerWaalsContact O-N 3.14Å; D84-S87 PolarHBondContact O-OG 3.09Å; V85-S87 VanDerWaalsContact C-N 3.34Å; S87-A89 PolarHBondContact O-N 3.29Å; S87-A89 VanDerWaalsContact O-N 3.13Å; S87-F90 PolarHBondContact O-N 3.37Å
88C96.8Very high96.2Very high1 Ų119.2 Ų19.21%0.00711%0.11CC..G310 helixtrans-59-24.5177.358.70000113.3D84 P86 F90D84-C88 PolarHBondContact O-N 2.72Å; D84-C88 PolarHBondContact O-SG 3.42Å; P86-C88 VanDerWaalsContact C-N 3.33Å; P86-C88 PolarHBondContact O-N 3.16Å; C88-F90 PolarHBondContact O-N 2.97Å
89A96Very high96.2Very high10 Ų1021.5 Ų21.58%0.08312%0.118CC..G310 helixtrans-68.8-19.2175.500000113.4P86 S87 S153 L156 A157P86-A89 VanDerWaalsContact O-CB 3.31Å; P86-A89 WeakPolarHBondContact O-CB 3.24Å; P86-A89 PolarHBondContact O-N 2.79Å; P86-A89 VanDerWaalsContact O-N 3.07Å; S87-A89 PolarHBondContact O-N 3.29Å; S87-A89 VanDerWaalsContact O-N 3.13Å; A89-S153 WeakPolarHBondContact CB-O 3.44Å; A89-L156 HydrophobicContact CB-CB 4.29Å; A89-L156 HydrophobicContact CB-CD2 3.98Å; A89-L156 HydrophobicContact CB-CG 4.07Å; A89-A157 HydrophobicContact CB-CB 3.91Å
90F96.2Very high96.1Very high0 Ų028.6 Ų28.60%016%0.157CC..G310 helixtrans-108.722.9-172.6-58.4-92.5000112.8W52 L55 V56 V59 L72 P86 S87 C88 K92 E93 L94 L156W52-F90 HydrophobicContact CE3-CD2 4.21Å; W52-F90 AromaticContact CE3-CE2 3.76Å; W52-F90 HydrophobicContact CE3-CE2 3.76Å; W52-F90 HydrophobicContact CE3-CZ 4.25Å; W52-F90 AromaticContact CZ3-CD2 3.63Å; W52-F90 HydrophobicContact CZ3-CD2 3.63Å; W52-F90 AromaticContact CZ3-CE2 3.67Å; W52-F90 HydrophobicContact CZ3-CE2 3.67Å; W52-F90 HydrophobicContact CZ3-CG 4.29Å; W52-F90 HydrophobicContact CZ3-CZ 4.36Å; L55-F90 HydrophobicContact CB-CE1 3.86Å; L55-F90 HydrophobicContact CB-CZ 3.83Å; V56-F90 HydrophobicContact CB-CZ 4.39Å; V56-F90 HydrophobicContact CG2-CE2 4.09Å; V56-F90 HydrophobicContact CG2-CZ 3.63Å; V59-F90 HydrophobicContact CB-CE1 4.24Å; V59-F90 HydrophobicContact CG2-CD1 3.81Å; V59-F90 HydrophobicContact CG2-CE1 3.54Å; L72-F90 HydrophobicContact CD1-CB 4.41Å; L72-F90 HydrophobicContact CD2-CB 4.17Å; L72-F90 HydrophobicContact CD2-CD1 4.46Å; L72-F90 HydrophobicContact CD2-CG 4.24Å; P86-F90 HydrophobicContact CB-CE2 4.43Å; P86-F90 WeakPolarHBondContact O-CD2 3.45Å; S87-F90 PolarHBondContact O-N 3.37Å; C88-F90 PolarHBondContact O-N 2.97Å; F90-K92 PolarHBondContact O-N 3.22Å; F90-E93 WeakPolarHBondContact CA-OE2 3.18Å; F90-E93 PolarHBondContact O-N 3.27Å; F90-L94 HydrophobicContact CB-CD1 4.46Å; F90-L94 HydrophobicContact CB-CG 4.47Å; F90-L94 WeakPolarHBondContact O-CB 3.37Å; F90-L94 WeakPolarHBondContact O-CG 3.01Å; F90-L94 PolarHBondContact O-N 3.49Å; F90-L156 HydrophobicContact CE1-CD2 4.13Å; F90-L156 HydrophobicContact CE2-CD2 4.48Å; F90-L156 HydrophobicContact CZ-CD2 4.02Å
91Y94.7Very high96.1Very high11 Ų1128.4 Ų28.44%0.04316%0.156CC..Hα-helixtrans-60.4-31.4-173.472.9-88.7000112.8M95 F182 I186Y91-M95 HydrophobicContact CD2-SD 4.03Å; Y91-M95 VanDerWaalsContact O-CB 3.29Å; Y91-M95 WeakPolarHBondContact O-CB 3.47Å; Y91-M95 WeakPolarHBondContact O-CG 3.49Å; Y91-M95 PolarHBondContact O-N 3.16Å; Y91-F182 HydrophobicContact CD1-CD2 4.3Å; Y91-F182 AromaticContact CD1-CE2 3.79Å; Y91-F182 HydrophobicContact CD1-CE2 3.79Å; Y91-F182 HydrophobicContact CD2-CD2 4.25Å; Y91-F182 AromaticContact CD2-CE2 3.47Å; Y91-F182 HydrophobicContact CD2-CE2 3.47Å; Y91-F182 VanDerWaalsContact CD2-CE2 3.47Å; Y91-F182 HydrophobicContact CD2-CZ 4.12Å; Y91-F182 AromaticContact CE1-CD2 3.99Å; Y91-F182 HydrophobicContact CE1-CD2 3.99Å; Y91-F182 AromaticContact CE1-CE2 3.93Å; Y91-F182 HydrophobicContact CE1-CE2 3.93Å; Y91-F182 AromaticContact CE2-CD2 3.94Å; Y91-F182 HydrophobicContact CE2-CD2 3.94Å; Y91-F182 AromaticContact CE2-CE2 3.63Å; Y91-F182 HydrophobicContact CE2-CE2 3.63Å; Y91-F182 HydrophobicContact CE2-CZ 4.47Å; Y91-F182 HydrophobicContact CG-CD2 4.41Å; Y91-F182 AromaticContact CG-CE2 3.55Å; Y91-F182 HydrophobicContact CG-CE2 3.55Å; Y91-F182 HydrophobicContact CG-CZ 4.35Å; Y91-F182 AromaticContact CZ-CD2 3.79Å; Y91-F182 AromaticContact CZ-CE2 3.84Å; Y91-I186 HydrophobicContact CD2-CD1 4.01Å; Y91-I186 HydrophobicContact CE2-CD1 3.9Å; Y91-I186 HydrophobicContact CE2-CG1 4.44Å
92K93.5Very high96Very high109 Ų10930.8 Ų30.847%0.47417%0.166SC..Hα-helixtrans-69.9-47.1-179.3-65-176.9-179.2177.80111F90 M95 S96F90-K92 PolarHBondContact O-N 3.22Å; K92-M95 WeakPolarHBondContact O-CB 3.11Å; K92-M95 PolarHBondContact O-N 2.95Å; K92-S96 PolarHBondContact O-N 2.83Å
93E94.9Very high96Very high37 Ų3730.7 Ų30.717%0.17317%0.166CC..Hα-helixtrans-62.8-45.9177.1-61.972.5-163.800109.5I68 L72 F90 M95 S96 I97I68-E93 HydrophobicContact CG2-CB 4.22Å; I68-E93 HydrophobicContact CG2-CG 3.87Å; L72-E93 HydrophobicContact CD1-CB 3.66Å; F90-E93 WeakPolarHBondContact CA-OE2 3.18Å; F90-E93 PolarHBondContact O-N 3.27Å; E93-M95 VanDerWaalsContact C-N 3.33Å; E93-M95 PolarHBondContact O-N 2.87Å; E93-S96 WeakPolarHBondContact O-CB 3.12Å; E93-S96 PolarHBondContact O-N 2.93Å; E93-S96 VanDerWaalsContact O-N 3.13Å; E93-I97 WeakPolarHBondContact O-CD1 3.28Å; E93-I97 VanDerWaalsContact O-CG1 3.26Å; E93-I97 WeakPolarHBondContact O-CG1 3.48Å; E93-I97 PolarHBondContact O-N 2.82Å
94L96.1Very high96Very high0 Ų030.6 Ų30.60%017%0.165CC..Hα-helixtrans-61.1-40174.7-68.4170.3000112.3L8 I11 L72 L76 V82 F90 S96 I97 Y98L8-L94 HydrophobicContact CD1-CD2 3.95Å; I11-L94 HydrophobicContact CD1-CB 3.7Å; I11-L94 HydrophobicContact CG1-CB 4.11Å; I11-L94 HydrophobicContact CG2-CB 4.32Å; I11-L94 HydrophobicContact CG2-CD1 4.1Å; L72-L94 HydrophobicContact CB-CD2 4.47Å; L72-L94 HydrophobicContact CD1-CD2 4.27Å; L72-L94 HydrophobicContact CD1-CG 4.48Å; L72-L94 HydrophobicContact CD2-CD2 4.27Å; L76-L94 HydrophobicContact CD1-CD2 3.52Å; V82-L94 HydrophobicContact CG1-CD1 4.03Å; F90-L94 HydrophobicContact CB-CD1 4.46Å; F90-L94 HydrophobicContact CB-CG 4.47Å; F90-L94 WeakPolarHBondContact O-CB 3.37Å; F90-L94 WeakPolarHBondContact O-CG 3.01Å; F90-L94 PolarHBondContact O-N 3.49Å; L94-S96 VanDerWaalsContact C-N 3.27Å; L94-S96 PolarHBondContact O-N 2.9Å; L94-I97 PolarHBondContact O-N 3.04Å; L94-Y98 HydrophobicContact CD2-CD2 4.35Å; L94-Y98 HydrophobicContact CD2-CE2 4.06Å; L94-Y98 WeakPolarHBondContact O-CB 3.47Å; L94-Y98 WeakPolarHBondContact O-CD2 3.35Å; L94-Y98 PolarHBondContact O-N 3.29Å
95M94.9Very high96Very high26 Ų2630 Ų3013%0.12816%0.162CC..Hα-helixtrans-65.8-31.1176.4-80174.467.700113I11 Y91 K92 E93 Y98 V103 I186 R190I11-M95 HydrophobicContact CD1-CB 4.49Å; I11-M95 HydrophobicContact CD1-CG 3.87Å; Y91-M95 HydrophobicContact CD2-SD 4.03Å; Y91-M95 VanDerWaalsContact O-CB 3.29Å; Y91-M95 WeakPolarHBondContact O-CB 3.47Å; Y91-M95 WeakPolarHBondContact O-CG 3.49Å; Y91-M95 PolarHBondContact O-N 3.16Å; K92-M95 WeakPolarHBondContact O-CB 3.11Å; K92-M95 PolarHBondContact O-N 2.95Å; E93-M95 VanDerWaalsContact C-N 3.33Å; E93-M95 PolarHBondContact O-N 2.87Å; M95-Y98 CarbonylContact O-C 3.57Å; M95-V103 HydrophobicContact CE-CG2 4.33Å; M95-V103 HydrophobicContact CG-CG2 3.78Å; M95-V103 HydrophobicContact SD-CG2 3.77Å; M95-I186 HydrophobicContact CE-CG1 4.1Å; M95-I186 HydrophobicContact CE-CG2 4.02Å; M95-I186 HydrophobicContact SD-CD1 4.06Å; M95-I186 HydrophobicContact SD-CG1 4.04Å; M95-R190 PolarHBondContact O-NH1 3.33Å; M95-R190 PolarHBondContact O-NH2 2.87Å
96S93.4Very high96Very high79 Ų7929.9 Ų29.955%0.55216%0.161SC*.Hα-helixtrans-71-46.9174.8-173.40000111.3K92 E93 L94K92-S96 PolarHBondContact O-N 2.83Å; E93-S96 WeakPolarHBondContact O-CB 3.12Å; E93-S96 PolarHBondContact O-N 2.93Å; E93-S96 VanDerWaalsContact O-N 3.13Å; L94-S96 VanDerWaalsContact C-N 3.27Å; L94-S96 PolarHBondContact O-N 2.9Å
97I94.4Very high95.9Very high37 Ų3730.3 Ų30.319%0.1916%0.163CC..Hα-helixtrans-67.6-39.9179.3-61.3160.2000111.5H69 L72 E93 L94 P99H69-I97 HydrophobicContact CB-CD1 3.98Å; H69-I97 HydrophobicContact CB-CG1 3.99Å; L72-I97 HydrophobicContact CB-CD1 3.93Å; L72-I97 HydrophobicContact CD1-CD1 3.69Å; L72-I97 HydrophobicContact CG-CD1 4.47Å; E93-I97 WeakPolarHBondContact O-CD1 3.28Å; E93-I97 VanDerWaalsContact O-CG1 3.26Å; E93-I97 WeakPolarHBondContact O-CG1 3.48Å; E93-I97 PolarHBondContact O-N 2.82Å; L94-I97 PolarHBondContact O-N 3.04Å; I97-P99 VanDerWaalsContact C-CD 3.49Å; I97-P99 VanDerWaalsContact O-CD 3.23Å; I97-P99 WeakPolarHBondContact O-CD 3.42Å
98Y95Very high95.7Very high18 Ų1834 Ų347%0.07118%0.177CC..  trans-11874.9-176.1-53.8-78.2000110.4L8 L94 M95 N100 A101 R190L8-Y98 HydrophobicContact CB-CD1 4.04Å; L8-Y98 HydrophobicContact CB-CD2 3.94Å; L8-Y98 HydrophobicContact CB-CE1 4.27Å; L8-Y98 HydrophobicContact CB-CE2 4.17Å; L8-Y98 HydrophobicContact CB-CG 3.87Å; L8-Y98 HydrophobicContact CD1-CD2 3.68Å; L8-Y98 HydrophobicContact CD1-CE2 3.44Å; L8-Y98 VanDerWaalsContact CD1-CE2 3.44Å; L8-Y98 HydrophobicContact CD1-CG 4.46Å; L8-Y98 HydrophobicContact CG-CD2 4.05Å; L8-Y98 HydrophobicContact CG-CE1 4.27Å; L8-Y98 HydrophobicContact CG-CE2 3.78Å; L8-Y98 HydrophobicContact CG-CG 4.4Å; L94-Y98 HydrophobicContact CD2-CD2 4.35Å; L94-Y98 HydrophobicContact CD2-CE2 4.06Å; L94-Y98 WeakPolarHBondContact O-CB 3.47Å; L94-Y98 WeakPolarHBondContact O-CD2 3.35Å; L94-Y98 PolarHBondContact O-N 3.29Å; M95-Y98 CarbonylContact O-C 3.57Å; Y98-N100 PolarHBondContact O-N 3.24Å; Y98-N100 VanDerWaalsContact O-N 3.12Å; Y98-A101 WeakPolarHBondContact O-CB 3.35Å; Y98-A101 PolarHBondContact O-N 3.18Å; Y98-R190 PolarHBondContact O-NH2 2.98Å
99P94.8Very high95.6Very high84 Ų8437.9 Ų37.955%0.54520%0.198SC..THydrogen-bonded Turntrans-61.4-26.2-173.123.3-34.6000113.8I97 R190I97-P99 VanDerWaalsContact C-CD 3.49Å; I97-P99 VanDerWaalsContact O-CD 3.23Å; I97-P99 WeakPolarHBondContact O-CD 3.42Å; P99-R190 VanDerWaalsContact O-CZ 3.27Å; P99-R190 PolarHBondContact O-NH2 2.94Å
100N94.8Very high95.6Very high155 Ų15540.3 Ų40.383%0.82921%0.207SC*.THydrogen-bonded Turntrans-88.7-8.9178.7-61.8-34.4000113.7Y98 K102Y98-N100 PolarHBondContact O-N 3.24Å; Y98-N100 VanDerWaalsContact O-N 3.12Å; N100-K102 PolarHBondContact O-N 2.9Å
101A97.2Very high95.7Very high1 Ų144.2 Ų44.21%0.00823%0.228CC..  trans-68.5132.9179.400000110.3L8 L9 I11 Y98 R190L8-A101 WeakPolarHBondContact O-CB 3.44Å; L9-A101 CarbonylContact O-C 3.5Å; L9-A101 WeakPolarHBondContact O-CA 3.48Å; I11-A101 HydrophobicContact CD1-CB 3.81Å; I11-A101 HydrophobicContact CG1-CB 3.99Å; Y98-A101 WeakPolarHBondContact O-CB 3.35Å; Y98-A101 PolarHBondContact O-N 3.18Å; A101-R190 VanDerWaalsContact O-CZ 3.28Å; A101-R190 PolarHBondContact O-NE 2.85Å; A101-R190 PolarHBondContact O-NH2 2.61Å
102K97.8Very high95.7Very high49 Ų4948.1 Ų48.121%0.21325%0.249CC..EExtended strand (participates in β ladder)trans-79.1151.2172.7-73.5-178.8177.8170.70110.4L9 V10 I11 N100 F206 L207 N208L9-K102 PolarHBondContact O-N 2.96Å; V10-K102 CarbonylContact C-O 3.58Å; V10-K102 WeakPolarHBondContact CA-O 3.43Å; I11-K102 PolarHBondContact N-O 3.01Å; N100-K102 PolarHBondContact O-N 2.9Å; K102-F206 HydrophobicContact CB-CE1 3.59Å; K102-F206 HydrophobicContact CB-CZ 3.73Å; K102-F206 HydrophobicContact CD-CD1 4.24Å; K102-F206 HydrophobicContact CD-CE1 3.93Å; K102-F206 HydrophobicContact CD-CE2 4.31Å; K102-F206 HydrophobicContact CD-CZ 3.95Å; K102-F206 WeakPolarHBondContact CD-O 3.39Å; K102-F206 WeakPolarHBondContact CE-O 3.44Å; K102-F206 HydrophobicContact CG-CE1 4.14Å; K102-F206 HydrophobicContact CG-CZ 3.98Å; K102-F206 PolarHBondContact NZ-O 3.49Å; K102-L207 HydrophobicContact CB-CD2 4.18Å; K102-L207 HydrophobicContact CD-CD2 3.92Å; K102-N208 PolarHBondContact NZ-ND2 2.96Å
103V98.2Very high95.8Very high0 Ų042.9 Ų42.90%023%0.226CC..EExtended strand (participates in β ladder)trans-110.8130.1-177.7-174.70000109.7I11 A13 M95 F182 I186 R190 L191 L192I11-V103 HydrophobicContact CB-CG2 4.44Å; I11-V103 WeakPolarHBondContact O-CA 2.96Å; A13-V103 HydrophobicContact CB-CG1 4.31Å; M95-V103 HydrophobicContact CE-CG2 4.33Å; M95-V103 HydrophobicContact CG-CG2 3.78Å; M95-V103 HydrophobicContact SD-CG2 3.77Å; V103-F182 HydrophobicContact CG1-CE1 3.86Å; V103-F182 HydrophobicContact CG1-CZ 3.54Å; V103-I186 HydrophobicContact CG1-CD1 4.2Å; V103-R190 WeakPolarHBondContact CB-O 3.42Å; V103-R190 HydrophobicContact CG2-CG 4.3Å; V103-R190 PolarHBondContact N-O 3.38Å; V103-L191 HydrophobicContact CB-CD1 4.38Å; V103-L191 HydrophobicContact CG1-CD1 4.14Å; V103-L191 WeakPolarHBondContact O-CA 3.41Å; V103-L192 PolarHBondContact O-N 3.04Å
104V98.1Very high96Very high0 Ų042 Ų420%022%0.222CC..EExtended strand (participates in β ladder)trans-120120.6177.2-177.90000109.3V10 I11 G12 A13 M23 L192 H194 L203 F206V10-V104 HydrophobicContact CG1-CB 4.36Å; V10-V104 HydrophobicContact CG1-CG2 3.73Å; I11-V104 PolarHBondContact O-N 3.37Å; G12-V104 CarbonylContact C-O 3.56Å; G12-V104 WeakPolarHBondContact CA-O 3.43Å; A13-V104 PolarHBondContact N-O 2.97Å; M23-V104 HydrophobicContact CE-CG1 3.63Å; M23-V104 HydrophobicContact SD-CG1 4.2Å; V104-L192 CarbonylContact C-O 3.59Å; V104-L192 WeakPolarHBondContact CA-O 3.35Å; V104-L192 HydrophobicContact CG1-CD2 4.44Å; V104-L192 HydrophobicContact CG2-CB 4.4Å; V104-L192 HydrophobicContact CG2-CD2 4.48Å; V104-H194 HydrophobicContact CG1-CB 4.03Å; V104-L203 HydrophobicContact CG2-CD1 4.27Å; V104-F206 HydrophobicContact CG2-CD1 4.37Å; V104-F206 HydrophobicContact CG2-CE1 4.07Å
105L97.6Very high96Very high0 Ų045.5 Ų45.50%024%0.244CC..EExtended strand (participates in β ladder)trans-102.3105.1174.4-17770.6000109.2A13 V107 M179 F182 Q183 L191 L192 V193 H194A13-L105 HydrophobicContact CB-CD1 4.49Å; L105-V107 HydrophobicContact CD2-CG1 3.8Å; L105-V107 HydrophobicContact CG-CG1 3.75Å; L105-M179 HydrophobicContact CD1-CE 3.86Å; L105-M179 HydrophobicContact CD1-SD 4.12Å; L105-M179 HydrophobicContact CD2-SD 4.04Å; L105-M179 HydrophobicContact CG-SD 4.26Å; L105-F182 HydrophobicContact CB-CD1 4.1Å; L105-F182 HydrophobicContact CB-CE1 3.85Å; L105-F182 HydrophobicContact CD1-CD1 3.84Å; L105-F182 HydrophobicContact CD1-CD2 4.47Å; L105-F182 HydrophobicContact CD1-CE1 3.95Å; L105-F182 HydrophobicContact CD1-CG 4.1Å; L105-F182 HydrophobicContact CD1-CZ 4.37Å; L105-F182 HydrophobicContact CD2-CB 4.43Å; L105-F182 HydrophobicContact CD2-CD1 3.7Å; L105-F182 HydrophobicContact CD2-CE1 4.32Å; L105-F182 HydrophobicContact CD2-CG 4.28Å; L105-F182 HydrophobicContact CG-CD1 4.08Å; L105-F182 HydrophobicContact CG-CE1 4.25Å; L105-Q183 HydrophobicContact CD2-CG 4.07Å; L105-L191 HydrophobicContact CB-CD1 4.07Å; L105-L192 PolarHBondContact N-O 3.18Å; L105-V193 HydrophobicContact CD2-CG2 4.44Å; L105-H194 PolarHBondContact O-N 3.03Å
106T97.2Very high96Very high6 Ų644.9 Ų44.94%0.03724%0.243CC..EExtended strand (participates in β ladder)trans-78.2130171.751.10000110.6G14 T18 M23 H194G14-T106 WeakPolarHBondContact CA-OG1 3.3Å; T18-T106 VanDerWaalsContact CB-O 3.22Å; T18-T106 WeakPolarHBondContact CB-O 3.38Å; T18-T106 WeakPolarHBondContact O-CB 3.32Å; T18-T106 PolarHBondContact OG1-O 3Å; T18-T106 PolarHBondContact OG1-OG1 2.72Å; M23-T106 HydrophobicContact CB-CG2 4.14Å; M23-T106 HydrophobicContact CE-CG2 3.73Å; M23-T106 HydrophobicContact CG-CG2 4.31Å; T106-H194 VanDerWaalsContact CA-O 3.29Å; T106-H194 WeakPolarHBondContact CA-O 3.35Å
107V95.2Very high96.2Very high12 Ų1241.1 Ų41.17%0.07322%0.216CC..EExtended strand (participates in β ladder)trans-130.9154.4-175.4-550000112.1L105 M179 V193 H194 R195L105-V107 HydrophobicContact CD2-CG1 3.8Å; L105-V107 HydrophobicContact CG-CG1 3.75Å; V107-M179 HydrophobicContact CG1-SD 3.71Å; V107-V193 HydrophobicContact CG1-CG1 3.89Å; V107-V193 HydrophobicContact CG2-CG1 3.75Å; V107-H194 PolarHBondContact N-O 2.89Å; V107-R195 HydrophobicContact CG2-CG 3.73Å
108R93.6Very high96.3Very high80 Ų8040.5 Ų40.530%0.30221%0.212SC..  trans-150.2172.4174.167.7-178.8-66.2167.66.6110.3R17 T18 D112 W113 Y175R17-R108 WeakPolarHBondContact O-CD 3.43Å; R17-R108 PolarHBondContact O-NH1 2.77Å; T18-R108 HydrophobicContact CG2-CG 4.33Å; R108-D112 PolarHBondContact NH2-O 3.04Å; R108-W113 HydrophobicContact CG-CB 3.7Å; R108-Y175 PolarHBondContact O-OH 2.85Å
109D94.9Very high96.2Very high82 Ų8245.1 Ų45.144%0.43923%0.234SC..  trans-56.8139.9171.4173.4-94000111N111 D112 W113D109-N111 PolarHBondContact O-N 2.77Å; D109-N111 WeakPolarHBondContact OD1-CA 3.49Å; D109-N111 WeakPolarHBondContact OD1-CB 3.21Å; D109-N111 PolarHBondContact OD1-N 3.31Å; D109-D112 HydrophobicContact CB-CB 4.02Å; D109-D112 PolarHBondContact O-N 3.25Å; D109-D112 PolarHBondContact OD1-N 2.9Å; D109-W113 WeakPolarHBondContact O-CB 3.46Å; D109-W113 PolarHBondContact O-N 3.38Å
110K95.9Very high96.1Very high60 Ų6042.6 Ų42.626%0.26122%0.217SC..Hα-helixtrans-68-36.1-172.472.4-176.2-173.9179.70113W113 L114 L172 Y175 E176K110-W113 WeakPolarHBondContact O-CB 3.41Å; K110-W113 PolarHBondContact O-N 3.34Å; K110-L114 WeakPolarHBondContact O-CB 3.27Å; K110-L114 PolarHBondContact O-N 3.45Å; K110-L172 HydrophobicContact CB-CD2 3.8Å; K110-L172 HydrophobicContact CD-CD2 4.32Å; K110-L172 HydrophobicContact CG-CD2 3.91Å; K110-L172 VanDerWaalsContact O-CD2 3.28Å; K110-L172 WeakPolarHBondContact O-CD2 3.43Å; K110-Y175 HydrophobicContact CB-CD1 3.88Å; K110-Y175 HydrophobicContact CB-CE1 4.02Å; K110-E176 HydrophobicContact CD-CG 3.8Å; K110-E176 WeakPolarHBondContact CD-OE1 3.39Å; K110-E176 WeakPolarHBondContact CE-OE1 3.18Å; K110-E176 IonicContact NZ-OE1 2.7Å; K110-E176 PolarHBondContact NZ-OE1 3.31Å; K110-E176 IonicContact NZ-OE2 2.76Å; K110-E176 PolarHBondContact NZ-OE2 3Å
111N97.1Very high96.1Very high83 Ų8336.7 Ų36.744%0.44419%0.185SC..Hα-helixtrans-74.6-38.9-180-58-62.5000110.4D109 W113 L114 T115D109-N111 PolarHBondContact O-N 2.77Å; D109-N111 WeakPolarHBondContact OD1-CA 3.49Å; D109-N111 WeakPolarHBondContact OD1-CB 3.21Å; D109-N111 PolarHBondContact OD1-N 3.31Å; N111-W113 VanDerWaalsContact C-N 3.34Å; N111-L114 PolarHBondContact O-N 3.07Å; N111-T115 WeakPolarHBondContact O-CB 3.33Å; N111-T115 PolarHBondContact O-N 3.01Å; N111-T115 PolarHBondContact O-OG1 2.6Å
112D95.4Very high96Very high92 Ų9237.9 Ų37.949%0.49219%0.19SC..Hα-helixtrans-63-40.7171.4-80.3-10.4000112R108 D109 S116R108-D112 PolarHBondContact NH2-O 3.04Å; D109-D112 HydrophobicContact CB-CB 4.02Å; D109-D112 PolarHBondContact O-N 3.25Å; D109-D112 PolarHBondContact OD1-N 2.9Å; D112-S116 PolarHBondContact O-N 3.48Å; D112-S116 VanDerWaalsContact O-N 3.11Å
113W96.4Very high95.9Very high0 Ų035.8 Ų35.80%018%0.182CC..Hα-helixtrans-60.9-52.9173.617175.8000110.7L15 S16 R108 D109 K110 N111 T115 S116 F117 M154 L171 L172 Y175L15-W113 HydrophobicContact CD1-CZ2 4.32Å; S16-W113 PolarHBondContact O-NE1 3.44Å; R108-W113 HydrophobicContact CG-CB 3.7Å; D109-W113 WeakPolarHBondContact O-CB 3.46Å; D109-W113 PolarHBondContact O-N 3.38Å; K110-W113 WeakPolarHBondContact O-CB 3.41Å; K110-W113 PolarHBondContact O-N 3.34Å; N111-W113 VanDerWaalsContact C-N 3.34Å; W113-T115 VanDerWaalsContact C-N 3.35Å; W113-T115 PolarHBondContact O-N 3.4Å; W113-S116 CarbonylContact O-C 3.55Å; W113-S116 PolarHBondContact O-N 3.1Å; W113-S116 VanDerWaalsContact O-N 3.14Å; W113-F117 HydrophobicContact CZ2-CB 4.48Å; W113-F117 HydrophobicContact CZ2-CD2 4.11Å; W113-F117 HydrophobicContact CZ2-CG 4.18Å; W113-F117 VanDerWaalsContact O-CB 3.3Å; W113-F117 WeakPolarHBondContact O-CB 3.47Å; W113-F117 PolarHBondContact O-N 2.97Å; W113-M154 HydrophobicContact CZ2-CE 4.2Å; W113-L171 HydrophobicContact CH2-CD1 3.83Å; W113-L171 HydrophobicContact CH2-CD2 4.24Å; W113-L171 HydrophobicContact CH2-CG 3.8Å; W113-L171 HydrophobicContact CZ3-CD1 4.45Å; W113-L171 HydrophobicContact CZ3-CD2 4.43Å; W113-L171 HydrophobicContact CZ3-CG 3.96Å; W113-L172 HydrophobicContact CE3-CD2 4.39Å; W113-Y175 HydrophobicContact CB-CE2 4.38Å; W113-Y175 AromaticContact CD1-CE2 3.88Å; W113-Y175 AromaticContact CD2-CD2 3.47Å; W113-Y175 HydrophobicContact CD2-CD2 3.47Å; W113-Y175 VanDerWaalsContact CD2-CD2 3.47Å; W113-Y175 AromaticContact CD2-CE2 3.61Å; W113-Y175 HydrophobicContact CD2-CE2 3.61Å; W113-Y175 HydrophobicContact CD2-CG 4.12Å; W113-Y175 AromaticContact CE2-CD2 3.56Å; W113-Y175 AromaticContact CE2-CE2 3.77Å; W113-Y175 HydrophobicContact CE3-CD1 4.41Å; W113-Y175 AromaticContact CE3-CD2 3.57Å; W113-Y175 HydrophobicContact CE3-CD2 3.57Å; W113-Y175 HydrophobicContact CE3-CE2 4.12Å; W113-Y175 AromaticContact CE3-CG 3.76Å; W113-Y175 HydrophobicContact CE3-CG 3.76Å; W113-Y175 HydrophobicContact CG-CD2 4.09Å; W113-Y175 AromaticContact CG-CE2 3.7Å; W113-Y175 HydrophobicContact CG-CE2 3.7Å; W113-Y175 AromaticContact CH2-CD2 3.85Å; W113-Y175 HydrophobicContact CH2-CD2 3.85Å; W113-Y175 HydrophobicContact CH2-CG 4.28Å; W113-Y175 AromaticContact CZ2-CD2 3.77Å; W113-Y175 HydrophobicContact CZ2-CD2 3.77Å; W113-Y175 HydrophobicContact CZ2-CE2 4.39Å; W113-Y175 AromaticContact CZ3-CD2 3.76Å; W113-Y175 HydrophobicContact CZ3-CD2 3.76Å; W113-Y175 AromaticContact CZ3-CG 3.84Å; W113-Y175 HydrophobicContact CZ3-CG 3.84Å; W113-Y175 AromaticContact NE1-CE2 3.91Å
114L97.6Very high95.9Very high17 Ų1738.2 Ų38.29%0.08919%0.192CC..Hα-helixtrans-57.3-48.5-179.2177.366.5000111.1K110 N111 S116 F117 R118 D168 L171 L172K110-L114 WeakPolarHBondContact O-CB 3.27Å; K110-L114 PolarHBondContact O-N 3.45Å; N111-L114 PolarHBondContact O-N 3.07Å; L114-S116 VanDerWaalsContact C-N 3.3Å; L114-S116 PolarHBondContact O-N 2.89Å; L114-F117 WeakPolarHBondContact O-CB 3.26Å; L114-F117 PolarHBondContact O-N 3.33Å; L114-F117 VanDerWaalsContact O-N 3.09Å; L114-R118 HydrophobicContact CD1-CG 4.23Å; L114-R118 HydrophobicContact CG-CG 4.47Å; L114-R118 WeakPolarHBondContact O-CG 3.28Å; L114-R118 PolarHBondContact O-N 3.2Å; L114-D168 HydrophobicContact CD2-CB 3.76Å; L114-L171 HydrophobicContact CD1-CD2 3.66Å; L114-L171 HydrophobicContact CD1-CG 4.37Å; L114-L172 HydrophobicContact CB-CD2 3.89Å; L114-L172 HydrophobicContact CD2-CD1 3.84Å; L114-L172 HydrophobicContact CD2-CD2 4.16Å; L114-L172 HydrophobicContact CD2-CG 3.95Å
115T96.5Very high95.7Very high75 Ų7541.6 Ų41.646%0.4622%0.216SC..Hα-helixtrans-55.6-46.7177.7-59.80000111N111 W113 Q119N111-T115 WeakPolarHBondContact O-CB 3.33Å; N111-T115 PolarHBondContact O-N 3.01Å; N111-T115 PolarHBondContact O-OG1 2.6Å; W113-T115 VanDerWaalsContact C-N 3.35Å; W113-T115 PolarHBondContact O-N 3.4Å; T115-Q119 VanDerWaalsContact O-CG 3.28Å; T115-Q119 WeakPolarHBondContact O-CG 3.29Å; T115-Q119 PolarHBondContact O-N 2.95Å
116S95.6Very high95.6Very high13 Ų1347.8 Ų47.89%0.09125%0.249CC..Hα-helixtrans-70.3-33.5177.7-174.40000113.1R17 D112 W113 L114 Q119 V120R17-S116 PolarHBondContact NE-OG 3.43Å; R17-S116 PolarHBondContact NH2-OG 3.42Å; D112-S116 PolarHBondContact O-N 3.48Å; D112-S116 VanDerWaalsContact O-N 3.11Å; W113-S116 CarbonylContact O-C 3.55Å; W113-S116 PolarHBondContact O-N 3.1Å; W113-S116 VanDerWaalsContact O-N 3.14Å; L114-S116 VanDerWaalsContact C-N 3.3Å; L114-S116 PolarHBondContact O-N 2.89Å; S116-Q119 PolarHBondContact O-N 3.24Å; S116-V120 WeakPolarHBondContact O-CB 3.38Å; S116-V120 WeakPolarHBondContact O-CG2 3.21Å; S116-V120 PolarHBondContact O-N 3.42Å; S116-V120 VanDerWaalsContact O-N 3.16Å
117F96.6Very high95.5Very high0 Ų050.2 Ų50.20%026%0.262CS..Hα-helixtrans-65.8-46178.7-176.8-98.8000110.8R17 W113 L114 Q119 V120 I121 M122 M154 F165 L171R17-F117 HydrophobicContact CG-CB 4.46Å; R17-F117 HydrophobicContact CG-CD2 4.46Å; W113-F117 HydrophobicContact CZ2-CB 4.48Å; W113-F117 HydrophobicContact CZ2-CD2 4.11Å; W113-F117 HydrophobicContact CZ2-CG 4.18Å; W113-F117 VanDerWaalsContact O-CB 3.3Å; W113-F117 WeakPolarHBondContact O-CB 3.47Å; W113-F117 PolarHBondContact O-N 2.97Å; L114-F117 WeakPolarHBondContact O-CB 3.26Å; L114-F117 PolarHBondContact O-N 3.33Å; L114-F117 VanDerWaalsContact O-N 3.09Å; F117-Q119 VanDerWaalsContact C-N 3.34Å; F117-Q119 PolarHBondContact O-N 2.92Å; F117-V120 PolarHBondContact O-N 3.34Å; F117-I121 HydrophobicContact CD2-CB 3.72Å; F117-I121 HydrophobicContact CD2-CG1 3.86Å; F117-I121 HydrophobicContact CD2-CG2 4.09Å; F117-I121 HydrophobicContact CE2-CB 3.62Å; F117-I121 HydrophobicContact CE2-CG1 4.07Å; F117-I121 HydrophobicContact CE2-CG2 3.45Å; F117-I121 VanDerWaalsContact CE2-CG2 3.45Å; F117-I121 HydrophobicContact CG-CB 4.38Å; F117-I121 HydrophobicContact CZ-CB 4.24Å; F117-I121 HydrophobicContact CZ-CG2 3.92Å; F117-I121 WeakPolarHBondContact O-CA 3.4Å; F117-I121 PolarHBondContact O-N 2.96Å; F117-M122 HydrophobicContact CD1-CB 4.42Å; F117-M122 HydrophobicContact CE1-CB 3.67Å; F117-M122 HydrophobicContact CE1-SD 4.48Å; F117-M122 HydrophobicContact CZ-CB 3.88Å; F117-M122 PolarHBondContact O-N 3.07Å; F117-M154 HydrophobicContact CD2-CE 4.05Å; F117-M154 HydrophobicContact CE2-CE 3.28Å; F117-M154 HydrophobicContact CZ-CE 3.81Å; F117-F165 HydrophobicContact CE1-CD1 4.41Å; F117-F165 HydrophobicContact CZ-CE1 4.45Å; F117-L171 HydrophobicContact CD1-CD2 4Å; F117-L171 HydrophobicContact CE1-CD2 4Å
118R96.2Very high95.3Very high24 Ų2455.3 Ų55.39%0.09130%0.296CS..Hα-helixtrans-59.2-42.8173.7-67.2-56-175.2-168.3-1.7113L114 M122 P123 F165 D168L114-R118 HydrophobicContact CD1-CG 4.23Å; L114-R118 HydrophobicContact CG-CG 4.47Å; L114-R118 WeakPolarHBondContact O-CG 3.28Å; L114-R118 PolarHBondContact O-N 3.2Å; R118-M122 VanDerWaalsContact CD-O 3.29Å; R118-M122 WeakPolarHBondContact CD-O 3.29Å; R118-M122 PolarHBondContact NH1-O 3.13Å; R118-P123 VanDerWaalsContact O-CA 3.32Å; R118-P123 WeakPolarHBondContact O-CA 2.97Å; R118-P123 WeakPolarHBondContact O-CG 3.13Å; R118-F165 PolarHBondContact NH1-O 3.28Å; R118-F165 PolarHBondContact NH2-O 3.08Å; R118-D168 IonicContact CZ-OD1 3.56Å; R118-D168 VanDerWaalsContact CZ-OD1 3.22Å; R118-D168 IonicContact NE-OD1 2.82Å; R118-D168 PolarHBondContact NE-OD1 2.79Å; R118-D168 IonicContact NH2-OD1 3.5Å; R118-D168 PolarHBondContact NH2-OD1 2.63Å
119Q93.3Very high95.2Very high114 Ų11453.9 Ų53.953%0.53330%0.298SS..Hα-helixtrans-72.4-29.4-176.5-74.2175.23.300114.1T115 S116 F117T115-Q119 VanDerWaalsContact O-CG 3.28Å; T115-Q119 WeakPolarHBondContact O-CG 3.29Å; T115-Q119 PolarHBondContact O-N 2.95Å; S116-Q119 PolarHBondContact O-N 3.24Å; F117-Q119 VanDerWaalsContact C-N 3.34Å; F117-Q119 PolarHBondContact O-N 2.92Å
120V93.3Very high95.2Very high32 Ų3252.9 Ų52.919%0.19429%0.29CS..Hα-helixtrans-122.3-30.8-165.6-1730000113.9S116 F117 F133 L226S116-V120 WeakPolarHBondContact O-CB 3.38Å; S116-V120 WeakPolarHBondContact O-CG2 3.21Å; S116-V120 PolarHBondContact O-N 3.42Å; S116-V120 VanDerWaalsContact O-N 3.16Å; F117-V120 PolarHBondContact O-N 3.34Å; V120-F133 WeakPolarHBondContact O-CE2 3.33Å; V120-L226 HydrophobicContact CG1-CD2 4.27Å; V120-L226 HydrophobicContact CG2-CD1 3.52Å
121I94.9Very high95.1Very high30 Ų3058.7 Ų58.715%0.15432%0.315CS..THydrogen-bonded Turntrans-107.2-55.8-175.4-53.5-60000110.6R17 F117 I150R17-I121 HydrophobicContact CG-CD1 4.32Å; R17-I121 HydrophobicContact CG-CG1 3.64Å; F117-I121 HydrophobicContact CD2-CB 3.72Å; F117-I121 HydrophobicContact CD2-CG1 3.86Å; F117-I121 HydrophobicContact CD2-CG2 4.09Å; F117-I121 HydrophobicContact CE2-CB 3.62Å; F117-I121 HydrophobicContact CE2-CG1 4.07Å; F117-I121 HydrophobicContact CE2-CG2 3.45Å; F117-I121 VanDerWaalsContact CE2-CG2 3.45Å; F117-I121 HydrophobicContact CG-CB 4.38Å; F117-I121 HydrophobicContact CZ-CB 4.24Å; F117-I121 HydrophobicContact CZ-CG2 3.92Å; F117-I121 WeakPolarHBondContact O-CA 3.4Å; F117-I121 PolarHBondContact O-N 2.96Å; I121-I150 HydrophobicContact CG2-CG2 3.7Å
122M95.3Very high94.8Very high26 Ų2661.3 Ų61.313%0.12832%0.324CS..  trans-145.986.1-169.2-164.8177.9-69.900112.1F117 R118 I150 F165F117-M122 HydrophobicContact CD1-CB 4.42Å; F117-M122 HydrophobicContact CE1-CB 3.67Å; F117-M122 HydrophobicContact CE1-SD 4.48Å; F117-M122 HydrophobicContact CZ-CB 3.88Å; F117-M122 PolarHBondContact O-N 3.07Å; R118-M122 VanDerWaalsContact CD-O 3.29Å; R118-M122 WeakPolarHBondContact CD-O 3.29Å; R118-M122 PolarHBondContact NH1-O 3.13Å; M122-I150 HydrophobicContact CE-CG2 4.35Å; M122-F165 HydrophobicContact CE-CD1 4.23Å; M122-F165 HydrophobicContact CE-CD2 4.17Å; M122-F165 HydrophobicContact CE-CE1 4.33Å; M122-F165 HydrophobicContact CE-CE2 4.26Å; M122-F165 HydrophobicContact CE-CG 4.15Å; M122-F165 HydrophobicContact CE-CZ 4.34Å; M122-F165 HydrophobicContact SD-CB 3.34Å; M122-F165 WeakPolarHBondContact SD-CB 3.21Å; M122-F165 HydrophobicContact SD-CD1 3.5Å; M122-F165 WeakPolarHBondContact SD-CD1 3.3Å; M122-F165 HydrophobicContact SD-CD2 3.75Å; M122-F165 HydrophobicContact SD-CE1 4.17Å; M122-F165 HydrophobicContact SD-CE2 4.38Å; M122-F165 HydrophobicContact SD-CG 3.25Å; M122-F165 WeakPolarHBondContact SD-CG 3.21Å
123P96.1Very high94.7Very high5 Ų558.9 Ų58.93%0.03231%0.31CS..  trans-57.8148.5168.5-19.831.1000110.8R118 D127 K130 F133R118-P123 VanDerWaalsContact O-CA 3.32Å; R118-P123 WeakPolarHBondContact O-CA 2.97Å; R118-P123 WeakPolarHBondContact O-CG 3.13Å; P123-D127 HydrophobicContact CB-CB 4.32Å; P123-K130 HydrophobicContact CB-CB 4.25Å; P123-K130 HydrophobicContact CB-CG 4.5Å; P123-F133 HydrophobicContact CG-CB 4.15Å; P123-F133 HydrophobicContact CG-CD1 3.81Å; P123-F133 HydrophobicContact CG-CD2 4.09Å; P123-F133 HydrophobicContact CG-CE1 4.18Å; P123-F133 HydrophobicContact CG-CE2 4.45Å; P123-F133 HydrophobicContact CG-CG 3.75Å; P123-F133 HydrophobicContact CG-CZ 4.49Å
124K96.9Very high94.5Very high51 Ų5161.1 Ų61.122%0.22232%0.32CS..  trans-62.5152.8174.9-68.2-164.6179.4-1630111.6D126 D127 K130 D166 D168K124-D126 WeakPolarHBondContact CB-OD1 3.3Å; K124-D126 PolarHBondContact O-N 2.92Å; K124-D127 HydrophobicContact CB-CB 4.34Å; K124-D127 VanDerWaalsContact O-CB 3.28Å; K124-D127 WeakPolarHBondContact O-CB 3.3Å; K124-D127 PolarHBondContact O-N 3.49Å; K124-K130 VanDerWaalsContact O-CD 3.3Å; K124-K130 WeakPolarHBondContact O-CD 3.04Å; K124-D166 WeakPolarHBondContact CA-OD1 3.3Å; K124-D166 VanDerWaalsContact CE-O 3.27Å; K124-D166 WeakPolarHBondContact CE-O 3.28Å; K124-D166 PolarHBondContact NZ-O 2.9Å; K124-D168 WeakPolarHBondContact CE-OD1 3.32Å; K124-D168 WeakPolarHBondContact CE-OD2 3.25Å; K124-D168 IonicContact NZ-OD1 2.73Å; K124-D168 IonicContact NZ-OD2 2.9Å; K124-D168 PolarHBondContact NZ-OD2 2.73Å
125S95Very high94.3Very high72 Ų7264 Ų6450%0.50333%0.333SS..THydrogen-bonded Turntrans-62.2-28.3179.6-56.90000114.1K130 D166S125-K130 PolarHBondContact OG-NZ 2.66Å; S125-K130 VanDerWaalsContact OG-NZ 3.1Å; S125-D166 WeakPolarHBondContact CB-OD2 3.33Å; S125-D166 PolarHBondContact N-OD1 3.33Å; S125-D166 PolarHBondContact OG-OD1 3.25Å; S125-D166 PolarHBondContact OG-OD2 3.06Å
126D94.8Very high94Very high130 Ų13062.8 Ų62.870%0.69533%0.331SS*.THydrogen-bonded Turntrans-90.5-3.3175.866.7-18.5000113.9K124 P128K124-D126 WeakPolarHBondContact CB-OD1 3.3Å; K124-D126 PolarHBondContact O-N 2.92Å; D126-P128 VanDerWaalsContact O-CD 3.3Å; D126-P128 WeakPolarHBondContact O-CD 3.26Å
127D94.3Very high94Very high56 Ų5663.6 Ų63.630%0.29933%0.333SS..  trans-67.3119.5178-170-39000110.3P123 K124 S129 K130P123-D127 HydrophobicContact CB-CB 4.32Å; K124-D127 HydrophobicContact CB-CB 4.34Å; K124-D127 VanDerWaalsContact O-CB 3.28Å; K124-D127 WeakPolarHBondContact O-CB 3.3Å; K124-D127 PolarHBondContact O-N 3.49Å; D127-S129 VanDerWaalsContact CG-OG 3.23Å; D127-S129 PolarHBondContact O-N 2.95Å; D127-S129 WeakPolarHBondContact OD1-CA 3.32Å; D127-S129 VanDerWaalsContact OD1-CB 3.25Å; D127-S129 WeakPolarHBondContact OD1-CB 3.48Å; D127-S129 PolarHBondContact OD1-N 3.11Å; D127-S129 PolarHBondContact OD1-OG 3.14Å; D127-S129 PolarHBondContact OD2-OG 2.72Å; D127-K130 VanDerWaalsContact O-CB 3.24Å; D127-K130 WeakPolarHBondContact O-CB 3.45Å; D127-K130 PolarHBondContact O-N 3.18Å
128P92.5Very high93.8Very high120 Ų12071.1 Ų71.178%0.77936%0.361SS*.THydrogen-bonded Turntrans-57.2-26.5179.3-25.234.9000114D126 K130D126-P128 VanDerWaalsContact O-CD 3.3Å; D126-P128 WeakPolarHBondContact O-CD 3.26Å; P128-K130 VanDerWaalsContact C-N 3.33Å
129S91.6Very high93.6Very high50 Ų5077.6 Ų77.635%0.3539%0.385SS..THydrogen-bonded Turntrans-77.7-14.2178.574.90000113.5D127 K131 Q132 F133D127-S129 VanDerWaalsContact CG-OG 3.23Å; D127-S129 PolarHBondContact O-N 2.95Å; D127-S129 WeakPolarHBondContact OD1-CA 3.32Å; D127-S129 VanDerWaalsContact OD1-CB 3.25Å; D127-S129 WeakPolarHBondContact OD1-CB 3.48Å; D127-S129 PolarHBondContact OD1-N 3.11Å; D127-S129 PolarHBondContact OD1-OG 3.14Å; D127-S129 PolarHBondContact OD2-OG 2.72Å; S129-K131 VanDerWaalsContact C-N 3.29Å; S129-K131 PolarHBondContact O-N 3.44Å; S129-Q132 WeakPolarHBondContact O-CA 3.27Å; S129-Q132 WeakPolarHBondContact O-CB 3.23Å; S129-Q132 PolarHBondContact O-N 2.98Å; S129-F133 PolarHBondContact O-N 3.43Å
130K93.6Very high93.6Very high61 Ų6172.4 Ų72.427%0.26536%0.362SS..Hα-helixtrans-55-42.3-178.3-177.6166.5180163.90112.3P123 K124 S125 D127 P128 Q132 F133 E134P123-K130 HydrophobicContact CB-CB 4.25Å; P123-K130 HydrophobicContact CB-CG 4.5Å; K124-K130 VanDerWaalsContact O-CD 3.3Å; K124-K130 WeakPolarHBondContact O-CD 3.04Å; S125-K130 PolarHBondContact OG-NZ 2.66Å; S125-K130 VanDerWaalsContact OG-NZ 3.1Å; D127-K130 VanDerWaalsContact O-CB 3.24Å; D127-K130 WeakPolarHBondContact O-CB 3.45Å; D127-K130 PolarHBondContact O-N 3.18Å; P128-K130 VanDerWaalsContact C-N 3.33Å; K130-Q132 VanDerWaalsContact C-N 3.31Å; K130-Q132 PolarHBondContact O-N 2.88Å; K130-F133 WeakPolarHBondContact O-CB 3.5Å; K130-F133 PolarHBondContact O-N 3.47Å; K130-E134 HydrophobicContact CG-CG 4.39Å; K130-E134 WeakPolarHBondContact O-CG 3.39Å; K130-E134 PolarHBondContact O-N 2.83Å
131K93.3Very high93.6Very high181 Ų18172.6 Ų72.679%0.78737%0.37SS*.Hα-helixtrans-60.4-40.5176.8-71.1-175.3-180178.30112.4S129 E135S129-K131 VanDerWaalsContact C-N 3.29Å; S129-K131 PolarHBondContact O-N 3.44Å; K131-E135 WeakPolarHBondContact O-CB 3.31Å; K131-E135 PolarHBondContact O-N 3.2Å
132Q92Very high93.6Very high139 Ų13972.2 Ų72.265%0.6537%0.37SS*.Hα-helixtrans-70.5-38.5178.4-60.9177.15.800111.1S129 K130 E135 A136S129-Q132 WeakPolarHBondContact O-CA 3.27Å; S129-Q132 WeakPolarHBondContact O-CB 3.23Å; S129-Q132 PolarHBondContact O-N 2.98Å; K130-Q132 VanDerWaalsContact C-N 3.31Å; K130-Q132 PolarHBondContact O-N 2.88Å; Q132-E135 PolarHBondContact O-N 2.92Å; Q132-A136 VanDerWaalsContact O-CB 3.31Å; Q132-A136 WeakPolarHBondContact O-CB 3.28Å; Q132-A136 PolarHBondContact O-N 2.95Å
133F92Very high93.6Very high41 Ų4172 Ų7218%0.1837%0.37CS..Hα-helixtrans-59.9-49.8173.7176.9-96000111.6V120 P123 S129 K130 E135 A136 K137V120-F133 WeakPolarHBondContact O-CE2 3.33Å; P123-F133 HydrophobicContact CG-CB 4.15Å; P123-F133 HydrophobicContact CG-CD1 3.81Å; P123-F133 HydrophobicContact CG-CD2 4.09Å; P123-F133 HydrophobicContact CG-CE1 4.18Å; P123-F133 HydrophobicContact CG-CE2 4.45Å; P123-F133 HydrophobicContact CG-CG 3.75Å; P123-F133 HydrophobicContact CG-CZ 4.49Å; S129-F133 PolarHBondContact O-N 3.43Å; K130-F133 WeakPolarHBondContact O-CB 3.5Å; K130-F133 PolarHBondContact O-N 3.47Å; F133-E135 PolarHBondContact O-N 2.58Å; F133-A136 WeakPolarHBondContact O-CB 3.37Å; F133-A136 PolarHBondContact O-N 3.41Å; F133-K137 HydrophobicContact CD1-CD 4.4Å; F133-K137 HydrophobicContact CE1-CD 3.77Å; F133-K137 HydrophobicContact CE1-CG 4.41Å; F133-K137 HydrophobicContact CZ-CD 4.08Å; F133-K137 PolarHBondContact O-N 3.17Å
134E93.3Very high93.5Very high46 Ų4676.7 Ų76.722%0.21540%0.399CS..Hα-helixtrans-62.6-41177.7-69.6-52.3141.700112.6K130 K137 R138K130-E134 HydrophobicContact CG-CG 4.39Å; K130-E134 WeakPolarHBondContact O-CG 3.39Å; K130-E134 PolarHBondContact O-N 2.83Å; E134-K137 PolarHBondContact O-N 3.4Å; E134-K137 VanDerWaalsContact OE1-CE 3.3Å; E134-K137 WeakPolarHBondContact OE1-CE 3.49Å; E134-K137 IonicContact OE1-NZ 3.35Å; E134-K137 PolarHBondContact OE1-NZ 2.98Å; E134-K137 WeakPolarHBondContact OE2-CE 3.24Å; E134-K137 IonicContact OE2-NZ 3.85Å; E134-K137 PolarHBondContact OE2-NZ 2.81Å; E134-R138 WeakPolarHBondContact O-CG 3.47Å; E134-R138 PolarHBondContact O-N 2.93Å; E134-R138 VanDerWaalsContact O-N 3.08Å
135E92.6Very high93.4Very high77 Ų7779.8 Ų79.836%0.3641%0.414SS..Hα-helixtrans-66.2-38.9175.5-163.7-176.8173.300112.2K131 Q132 F133 R138 R139K131-E135 WeakPolarHBondContact O-CB 3.31Å; K131-E135 PolarHBondContact O-N 3.2Å; Q132-E135 PolarHBondContact O-N 2.92Å; F133-E135 PolarHBondContact O-N 2.58Å; E135-R138 PolarHBondContact O-N 3.25Å; E135-R139 WeakPolarHBondContact O-CB 3.46Å; E135-R139 VanDerWaalsContact O-CG 3.32Å; E135-R139 WeakPolarHBondContact O-CG 3.35Å; E135-R139 PolarHBondContact O-N 3.24Å; E135-R139 IonicContact OE1-CZ 3.29Å; E135-R139 IonicContact OE1-NE 2.74Å; E135-R139 PolarHBondContact OE1-NE 3.43Å; E135-R139 IonicContact OE1-NH2 2.7Å; E135-R139 PolarHBondContact OE1-NH2 3.3Å; E135-R139 IonicContact OE2-NH2 3.25Å; E135-R139 PolarHBondContact OE2-NH2 2.96Å
136A91.8Very high93.5Very high51 Ų5177 Ų7742%0.42139%0.393SS..Hα-helixtrans-62.9-42.3175.700000111.9Q132 F133 R139 A140Q132-A136 VanDerWaalsContact O-CB 3.31Å; Q132-A136 WeakPolarHBondContact O-CB 3.28Å; Q132-A136 PolarHBondContact O-N 2.95Å; F133-A136 WeakPolarHBondContact O-CB 3.37Å; F133-A136 PolarHBondContact O-N 3.41Å; A136-R139 PolarHBondContact O-N 3.16Å; A136-A140 VanDerWaalsContact O-CB 3.27Å; A136-A140 WeakPolarHBondContact O-CB 3.42Å; A136-A140 PolarHBondContact O-N 2.58Å
137K93.8Very high93.5Very high29 Ų2972.8 Ų72.813%0.12637%0.371CS..Hα-helixtrans-59.1-49.4173.4-78.5-170.6-64.61720112F133 E134 R139 A140 G141 V142 D147F133-K137 HydrophobicContact CD1-CD 4.4Å; F133-K137 HydrophobicContact CE1-CD 3.77Å; F133-K137 HydrophobicContact CE1-CG 4.41Å; F133-K137 HydrophobicContact CZ-CD 4.08Å; F133-K137 PolarHBondContact O-N 3.17Å; E134-K137 PolarHBondContact O-N 3.4Å; E134-K137 VanDerWaalsContact OE1-CE 3.3Å; E134-K137 WeakPolarHBondContact OE1-CE 3.49Å; E134-K137 IonicContact OE1-NZ 3.35Å; E134-K137 PolarHBondContact OE1-NZ 2.98Å; E134-K137 WeakPolarHBondContact OE2-CE 3.24Å; E134-K137 IonicContact OE2-NZ 3.85Å; E134-K137 PolarHBondContact OE2-NZ 2.81Å; K137-R139 PolarHBondContact O-N 3.44Å; K137-A140 CarbonylContact O-C 3.55Å; K137-A140 WeakPolarHBondContact O-CB 3.29Å; K137-A140 PolarHBondContact O-N 3.2Å; K137-A140 VanDerWaalsContact O-N 3.09Å; K137-G141 PolarHBondContact O-N 3.2Å; K137-V142 HydrophobicContact CB-CB 4.09Å; K137-V142 HydrophobicContact CD-CG1 4.45Å; K137-V142 HydrophobicContact CG-CB 4.49Å; K137-V142 WeakPolarHBondContact O-CB 3.44Å; K137-V142 PolarHBondContact O-N 2.7Å; K137-D147 IonicContact NZ-OD1 3.25Å; K137-D147 PolarHBondContact NZ-OD1 3.34Å; K137-D147 IonicContact NZ-OD2 3.27Å; K137-D147 PolarHBondContact NZ-OD2 3.42Å
138R93.5Very high93.6Very high159 Ų15975.3 Ų75.360%0.638%0.379SS*.Hα-helixtrans-58.9-47.1177.6-72.1-167.1-57.4-86.10.8111.9E134 E135 A140 G141E134-R138 WeakPolarHBondContact O-CG 3.47Å; E134-R138 PolarHBondContact O-N 2.93Å; E134-R138 VanDerWaalsContact O-N 3.08Å; E135-R138 PolarHBondContact O-N 3.25Å; R138-A140 PolarHBondContact O-N 3.02Å; R138-G141 PolarHBondContact O-N 2.93Å; R138-G141 VanDerWaalsContact O-N 3.09Å
139R91.9Very high93.9Very high159 Ų15969.7 Ų69.760%0.634%0.342SS*.Hα-helixtrans-62.8-32.2176.5-69.7-178.1-154.4164.63.3112.1E135 A136 K137 G141E135-R139 WeakPolarHBondContact O-CB 3.46Å; E135-R139 VanDerWaalsContact O-CG 3.32Å; E135-R139 WeakPolarHBondContact O-CG 3.35Å; E135-R139 PolarHBondContact O-N 3.24Å; E135-R139 IonicContact OE1-CZ 3.29Å; E135-R139 IonicContact OE1-NE 2.74Å; E135-R139 PolarHBondContact OE1-NE 3.43Å; E135-R139 IonicContact OE1-NH2 2.7Å; E135-R139 PolarHBondContact OE1-NH2 3.3Å; E135-R139 IonicContact OE2-NH2 3.25Å; E135-R139 PolarHBondContact OE2-NH2 2.96Å; A136-R139 PolarHBondContact O-N 3.16Å; K137-R139 PolarHBondContact O-N 3.44Å; R139-G141 PolarHBondContact O-N 2.84Å
140A93.3Very high94.2Very high6 Ų668.5 Ų68.55%0.0533%0.332CS..THydrogen-bonded Turntrans-76.4-4.3177.100000113.7A136 K137 R138 V142 L233 S238 I239A136-A140 VanDerWaalsContact O-CB 3.27Å; A136-A140 WeakPolarHBondContact O-CB 3.42Å; A136-A140 PolarHBondContact O-N 2.58Å; K137-A140 CarbonylContact O-C 3.55Å; K137-A140 WeakPolarHBondContact O-CB 3.29Å; K137-A140 PolarHBondContact O-N 3.2Å; K137-A140 VanDerWaalsContact O-N 3.09Å; R138-A140 PolarHBondContact O-N 3.02Å; A140-V142 HydrophobicContact CB-CG2 4.21Å; A140-L233 HydrophobicContact CB-CD1 4.05Å; A140-L233 HydrophobicContact CB-CD2 3.69Å; A140-L233 HydrophobicContact CB-CG 4.47Å; A140-S238 WeakPolarHBondContact O-CA 3.47Å; A140-I239 HydrophobicContact CB-CB 4.48Å; A140-I239 WeakPolarHBondContact O-CG2 3.5Å; A140-I239 PolarHBondContact O-N 3.5Å
141G94.2Very high94.4Very high35 Ų3567.4 Ų67.436%0.36133%0.33SS..THydrogen-bonded Turntrans7721.9-177.200000113.8Q46 K137 R138 R139 P143Q46-G141 PolarHBondContact NE2-O 3.26Å; K137-G141 PolarHBondContact O-N 3.2Å; R138-G141 PolarHBondContact O-N 2.93Å; R138-G141 VanDerWaalsContact O-N 3.09Å; R139-G141 PolarHBondContact O-N 2.84Å; G141-P143 WeakPolarHBondContact O-CD 3.35Å
142V94.7Very high94.6Very high23 Ų2359.8 Ų59.814%0.13930%0.298CS..  trans-78124175.6178.50000109.4V42 K137 A140 L146V42-V142 HydrophobicContact CG1-CG1 4.03Å; V42-V142 HydrophobicContact CG1-CG2 4.16Å; K137-V142 HydrophobicContact CB-CB 4.09Å; K137-V142 HydrophobicContact CD-CG1 4.45Å; K137-V142 HydrophobicContact CG-CB 4.49Å; K137-V142 WeakPolarHBondContact O-CB 3.44Å; K137-V142 PolarHBondContact O-N 2.7Å; A140-V142 HydrophobicContact CB-CG2 4.21Å; V142-L146 HydrophobicContact CG1-CB 4.44Å; V142-L146 HydrophobicContact CG1-CD2 3.67Å
143P93.8Very high94.9Very high22 Ų2253.2 Ų53.214%0.14327%0.267CS..  trans-63.4141.7178.3-24.336000112.5Q46 I49 G141 E145 L146Q46-P143 HydrophobicContact CB-CG 4.38Å; Q46-P143 HydrophobicContact CG-CG 4.3Å; I49-P143 HydrophobicContact CD1-CB 3.98Å; I49-P143 HydrophobicContact CD1-CG 3.79Å; G141-P143 WeakPolarHBondContact O-CD 3.35Å; P143-E145 WeakPolarHBondContact CB-OE2 3.5Å; P143-E145 PolarHBondContact O-N 3.42Å; P143-L146 VanDerWaalsContact O-CB 3.25Å; P143-L146 WeakPolarHBondContact O-CB 3.42Å; P143-L146 PolarHBondContact O-N 2.92Å
144V93.9Very high95.1Very high103 Ų10351.2 Ų51.262%0.62426%0.259SS*.THydrogen-bonded Turntrans-67.9-27.6179.365.90000111.8L146 D147V144-L146 PolarHBondContact O-N 3.37Å; V144-D147 WeakPolarHBondContact O-CB 3.15Å; V144-D147 PolarHBondContact O-N 2.76Å; V144-D147 VanDerWaalsContact O-N 3.08Å
145E96.2Very high95.3Very high115 Ų11550.9 Ų50.954%0.53726%0.257SS..Hα-helixtrans-61.3-24.8175.9-62.976.7-170.500112I49 P143 D147 K148 L149I49-E145 HydrophobicContact CG2-CB 4.01Å; P143-E145 WeakPolarHBondContact CB-OE2 3.5Å; P143-E145 PolarHBondContact O-N 3.42Å; E145-D147 VanDerWaalsContact C-N 3.26Å; E145-D147 PolarHBondContact O-N 3.34Å; E145-K148 PolarHBondContact O-N 3.03Å; E145-L149 PolarHBondContact O-N 3.14Å
146L96.6Very high95.5Very high15 Ų1548.5 Ų48.58%0.07925%0.246CC..Hα-helixtrans-63.5-32.3175.9-174.761000112L41 V42 I49 V142 P143 V144 K148 L149 I150L41-L146 HydrophobicContact CB-CD1 4.28Å; L41-L146 HydrophobicContact CD1-CD1 3.95Å; V42-L146 HydrophobicContact CG1-CD2 3.37Å; I49-L146 HydrophobicContact CD1-CB 4.27Å; I49-L146 HydrophobicContact CD1-CD1 4.46Å; I49-L146 HydrophobicContact CG1-CD1 4.43Å; V142-L146 HydrophobicContact CG1-CB 4.44Å; V142-L146 HydrophobicContact CG1-CD2 3.67Å; P143-L146 VanDerWaalsContact O-CB 3.25Å; P143-L146 WeakPolarHBondContact O-CB 3.42Å; P143-L146 PolarHBondContact O-N 2.92Å; V144-L146 PolarHBondContact O-N 3.37Å; L146-K148 VanDerWaalsContact C-N 3.35Å; L146-K148 PolarHBondContact O-N 2.74Å; L146-L149 HydrophobicContact CD1-CD2 4.21Å; L146-L149 PolarHBondContact O-N 3.09Å; L146-I150 HydrophobicContact CD1-CD1 4.31Å; L146-I150 HydrophobicContact CD1-CG1 4.24Å; L146-I150 HydrophobicContact CD2-CD1 4.31Å; L146-I150 HydrophobicContact CG-CD1 3.83Å; L146-I150 HydrophobicContact CG-CG1 4.22Å; L146-I150 WeakPolarHBondContact O-CG1 3.26Å; L146-I150 PolarHBondContact O-N 3.31Å
147D95.4Very high95.7Very high41 Ų4146.3 Ų46.322%0.21923%0.228CC..Hα-helixtrans-66.6-39.5-179.8-67.8-33.1000111.8K137 V144 E145 T151K137-D147 IonicContact NZ-OD1 3.25Å; K137-D147 PolarHBondContact NZ-OD1 3.34Å; K137-D147 IonicContact NZ-OD2 3.27Å; K137-D147 PolarHBondContact NZ-OD2 3.42Å; V144-D147 WeakPolarHBondContact O-CB 3.15Å; V144-D147 PolarHBondContact O-N 2.76Å; V144-D147 VanDerWaalsContact O-N 3.08Å; E145-D147 VanDerWaalsContact C-N 3.26Å; E145-D147 PolarHBondContact O-N 3.34Å; D147-T151 WeakPolarHBondContact O-CB 3.47Å; D147-T151 PolarHBondContact O-N 2.97Å; D147-T151 PolarHBondContact O-OG1 3.12Å
148K96.7Very high95.8Very high109 Ų10945.2 Ų45.247%0.47422%0.223SC..Hα-helixtrans-62.5-47.7172.8-172.4-171.8-174.7-56.80110.4E145 L146 I150 T151 D152E145-K148 PolarHBondContact O-N 3.03Å; L146-K148 VanDerWaalsContact C-N 3.35Å; L146-K148 PolarHBondContact O-N 2.74Å; K148-I150 PolarHBondContact O-N 3.49Å; K148-T151 WeakPolarHBondContact O-CB 3.47Å; K148-T151 PolarHBondContact O-N 3.46Å; K148-D152 IonicContact NZ-OD2 3.93Å; K148-D152 PolarHBondContact NZ-OD2 3.42Å; K148-D152 PolarHBondContact O-N 3.35Å
149L98Very high95.8Very high1 Ų142.2 Ų42.21%0.00522%0.216CC..Hα-helixtrans-61-44.7179.6174.259.5000112.2L41 I49 W52 V56 P86 E145 L146 T151 S153L41-L149 HydrophobicContact CD1-CD2 3.86Å; I49-L149 HydrophobicContact CB-CD2 4.49Å; I49-L149 HydrophobicContact CG2-CB 4.49Å; I49-L149 HydrophobicContact CG2-CD2 4.07Å; W52-L149 HydrophobicContact CB-CD1 3.75Å; W52-L149 HydrophobicContact CB-CD2 3.67Å; W52-L149 HydrophobicContact CB-CG 4.38Å; W52-L149 HydrophobicContact CG-CD2 4.42Å; V56-L149 HydrophobicContact CG2-CD1 4.04Å; P86-L149 HydrophobicContact CB-CD1 4.02Å; P86-L149 HydrophobicContact CB-CG 4.33Å; P86-L149 HydrophobicContact CG-CD1 4.45Å; P86-L149 HydrophobicContact CG-CD2 4.27Å; E145-L149 PolarHBondContact O-N 3.14Å; L146-L149 HydrophobicContact CD1-CD2 4.21Å; L146-L149 PolarHBondContact O-N 3.09Å; L149-T151 VanDerWaalsContact C-N 3.34Å; L149-S153 WeakPolarHBondContact O-CB 3.43Å; L149-S153 PolarHBondContact O-N 3.42Å; L149-S153 PolarHBondContact O-OG 2.99Å
150I97.4Very high96Very high25 Ų2537.3 Ų37.313%0.12820%0.199CC..Hα-helixtrans-60.8-46.6176.4-71.7170.7000110V85 I121 M122 L146 K148 S153 M154V85-I150 HydrophobicContact CG2-CG1 4.41Å; I121-I150 HydrophobicContact CG2-CG2 3.7Å; M122-I150 HydrophobicContact CE-CG2 4.35Å; L146-I150 HydrophobicContact CD1-CD1 4.31Å; L146-I150 HydrophobicContact CD1-CG1 4.24Å; L146-I150 HydrophobicContact CD2-CD1 4.31Å; L146-I150 HydrophobicContact CG-CD1 3.83Å; L146-I150 HydrophobicContact CG-CG1 4.22Å; L146-I150 WeakPolarHBondContact O-CG1 3.26Å; L146-I150 PolarHBondContact O-N 3.31Å; K148-I150 PolarHBondContact O-N 3.49Å; I150-S153 PolarHBondContact O-OG 2.86Å; I150-M154 HydrophobicContact CG2-CG 4.43Å; I150-M154 VanDerWaalsContact O-CB 3.26Å; I150-M154 WeakPolarHBondContact O-CB 3.22Å; I150-M154 WeakPolarHBondContact O-CG 3.27Å; I150-M154 PolarHBondContact O-N 3.35Å
151T97.4Very high96Very high39 Ų3941 Ų4124%0.23922%0.218CC..Hα-helixtrans-59.1-52.1179.3-59.10000111.3D147 K148 L149 M154 K155 F165D147-T151 WeakPolarHBondContact O-CB 3.47Å; D147-T151 PolarHBondContact O-N 2.97Å; D147-T151 PolarHBondContact O-OG1 3.12Å; K148-T151 WeakPolarHBondContact O-CB 3.47Å; K148-T151 PolarHBondContact O-N 3.46Å; L149-T151 VanDerWaalsContact C-N 3.34Å; T151-M154 PolarHBondContact O-N 3.44Å; T151-K155 HydrophobicContact CG2-CD 4.44Å; T151-K155 WeakPolarHBondContact O-CG 3.5Å; T151-K155 PolarHBondContact O-N 2.95Å; T151-F165 HydrophobicContact CG2-CD2 4.08Å; T151-F165 HydrophobicContact CG2-CE2 3.65Å
152D97.8Very high96.1Very high20 Ų2044.8 Ų44.811%0.10723%0.23CC..Hα-helixtrans-72.3-38.8-175.1-67.8-23.9000112.5Q53 V56 R60 K148 M154 K155 L156Q53-D152 PolarHBondContact NE2-OD2 2.79Å; V56-D152 HydrophobicContact CG1-CB 3.74Å; R60-D152 IonicContact NH1-OD1 3.54Å; K148-D152 IonicContact NZ-OD2 3.93Å; K148-D152 PolarHBondContact NZ-OD2 3.42Å; K148-D152 PolarHBondContact O-N 3.35Å; D152-M154 VanDerWaalsContact C-N 3.34Å; D152-K155 PolarHBondContact O-N 2.67Å; D152-L156 WeakPolarHBondContact O-CB 3.25Å; D152-L156 PolarHBondContact O-N 2.62Å
153S97.7Very high96.2Very high1 Ų143.9 Ų43.91%0.00723%0.225CC..Hα-helixtrans-67.2-34.1175.761.70000112.2A89 L149 I150 L156 A157A89-S153 WeakPolarHBondContact CB-O 3.44Å; L149-S153 WeakPolarHBondContact O-CB 3.43Å; L149-S153 PolarHBondContact O-N 3.42Å; L149-S153 PolarHBondContact O-OG 2.99Å; I150-S153 PolarHBondContact O-OG 2.86Å; S153-L156 PolarHBondContact O-N 3.48Å; S153-A157 WeakPolarHBondContact O-CB 3.34Å; S153-A157 PolarHBondContact O-N 3.44Å
154M97.5Very high96.3Very high0 Ų047.2 Ų47.20%024%0.241CC..Hα-helixtrans-69.2-40.5173.3-75.1-64-95.100112L15 V85 W113 F117 I150 T151 D152 L156 A157 L158 F165L15-M154 HydrophobicContact CD2-SD 4.13Å; V85-M154 HydrophobicContact CG1-CG 4.12Å; V85-M154 HydrophobicContact CG1-SD 3.59Å; V85-M154 VanDerWaalsContact CG1-SD 3.59Å; W113-M154 HydrophobicContact CZ2-CE 4.2Å; F117-M154 HydrophobicContact CD2-CE 4.05Å; F117-M154 HydrophobicContact CE2-CE 3.28Å; F117-M154 HydrophobicContact CZ-CE 3.81Å; I150-M154 HydrophobicContact CG2-CG 4.43Å; I150-M154 VanDerWaalsContact O-CB 3.26Å; I150-M154 WeakPolarHBondContact O-CB 3.22Å; I150-M154 WeakPolarHBondContact O-CG 3.27Å; I150-M154 PolarHBondContact O-N 3.35Å; T151-M154 PolarHBondContact O-N 3.44Å; D152-M154 VanDerWaalsContact C-N 3.34Å; M154-L156 VanDerWaalsContact C-N 3.31Å; M154-L156 PolarHBondContact O-N 3.03Å; M154-A157 PolarHBondContact O-N 3.36Å; M154-L158 VanDerWaalsContact O-CB 3.27Å; M154-L158 WeakPolarHBondContact O-CB 3.36Å; M154-L158 VanDerWaalsContact O-CG 3.29Å; M154-L158 WeakPolarHBondContact O-CG 3.26Å; M154-L158 PolarHBondContact O-N 2.88Å; M154-F165 HydrophobicContact CB-CE1 4.09Å; M154-F165 HydrophobicContact CB-CZ 3.71Å
155K97.5Very high96.5Very high39 Ų3943.1 Ų43.117%0.1722%0.215CC..Hα-helixtrans-59-43.5172.2-74.8177.4167.8-156.20111.9T151 D152 Q159 K160 D161 L163 F165T151-K155 HydrophobicContact CG2-CD 4.44Å; T151-K155 WeakPolarHBondContact O-CG 3.5Å; T151-K155 PolarHBondContact O-N 2.95Å; D152-K155 PolarHBondContact O-N 2.67Å; K155-Q159 WeakPolarHBondContact O-CA 3.46Å; K155-Q159 PolarHBondContact O-N 2.88Å; K155-K160 WeakPolarHBondContact CB-O 3.31Å; K155-K160 WeakPolarHBondContact CG-O 3.42Å; K155-K160 PolarHBondContact O-N 2.95Å; K155-D161 WeakPolarHBondContact CD-O 3.35Å; K155-D161 WeakPolarHBondContact CE-O 3.45Å; K155-D161 PolarHBondContact NZ-O 2.98Å; K155-L163 WeakPolarHBondContact CE-O 3.19Å; K155-L163 HydrophobicContact CG-CB 4.25Å; K155-F165 HydrophobicContact CD-CE2 4.27Å; K155-F165 HydrophobicContact CG-CE2 3.78Å; K155-F165 HydrophobicContact CG-CZ 4.02Å
156L96Very high96.6Very high27 Ų2740 Ų4014%0.14120%0.202CC..Hα-helixtrans-62.4-50.2175.7179.260.6000111.5V56 V59 R60 A89 F90 D152 S153 M154 L158 Q159V56-L156 HydrophobicContact CG1-CD2 4.31Å; V56-L156 HydrophobicContact CG2-CD2 4.46Å; V59-L156 HydrophobicContact CB-CD2 4.23Å; V59-L156 HydrophobicContact CG1-CD1 3.8Å; V59-L156 HydrophobicContact CG1-CD2 3.98Å; V59-L156 HydrophobicContact CG1-CG 4.5Å; R60-L156 HydrophobicContact CG-CD1 4.1Å; A89-L156 HydrophobicContact CB-CB 4.29Å; A89-L156 HydrophobicContact CB-CD2 3.98Å; A89-L156 HydrophobicContact CB-CG 4.07Å; F90-L156 HydrophobicContact CE1-CD2 4.13Å; F90-L156 HydrophobicContact CE2-CD2 4.48Å; F90-L156 HydrophobicContact CZ-CD2 4.02Å; D152-L156 WeakPolarHBondContact O-CB 3.25Å; D152-L156 PolarHBondContact O-N 2.62Å; S153-L156 PolarHBondContact O-N 3.48Å; M154-L156 VanDerWaalsContact C-N 3.31Å; M154-L156 PolarHBondContact O-N 3.03Å; L156-L158 PolarHBondContact O-N 3.36Å; L156-Q159 PolarHBondContact O-N 3.46Å; L156-Q159 VanDerWaalsContact O-N 3.1Å
157A95.9Very high96.6Very high4 Ų442 Ų423%0.03321%0.213CC..Hα-helixtrans-60.2-45.6179.500000112.2L15 A89 S153 M154 Q159 H178L15-A157 HydrophobicContact CD2-CB 3.84Å; A89-A157 HydrophobicContact CB-CB 3.91Å; S153-A157 WeakPolarHBondContact O-CB 3.34Å; S153-A157 PolarHBondContact O-N 3.44Å; M154-A157 PolarHBondContact O-N 3.36Å; A157-Q159 PolarHBondContact O-N 3.37Å; A157-H178 PolarHBondContact O-CE1 3.46Å; A157-H178 VanDerWaalsContact O-CE1 3.22Å; A157-H178 PolarHBondContact O-ND1 2.92Å
158L96.2Very high96.7Very high6 Ų642.2 Ų42.23%0.03121%0.214CC..THydrogen-bonded Turntrans-77.3-3.8178.8-65173.2000113.4L15 M154 L156 K160 L163 L171 C174 H178L15-L158 HydrophobicContact CD1-CD2 3.79Å; M154-L158 VanDerWaalsContact O-CB 3.27Å; M154-L158 WeakPolarHBondContact O-CB 3.36Å; M154-L158 VanDerWaalsContact O-CG 3.29Å; M154-L158 WeakPolarHBondContact O-CG 3.26Å; M154-L158 PolarHBondContact O-N 2.88Å; L156-L158 PolarHBondContact O-N 3.36Å; L158-K160 VanDerWaalsContact C-N 3.3Å; L158-K160 PolarHBondContact O-N 2.97Å; L158-L163 HydrophobicContact CD1-CD2 3.53Å; L158-L171 HydrophobicContact CD1-CD1 3.83Å; L158-C174 HydrophobicContact CB-CB 4.23Å; L158-C174 HydrophobicContact CD1-CB 4.33Å; L158-C174 HydrophobicContact CD2-CB 4.16Å; L158-C174 HydrophobicContact CG-CB 4.48Å; L158-H178 HydrophobicContact CD2-CB 4.02Å
159Q93.8Very high96.8Very high97 Ų9741.4 Ų41.445%0.45322%0.218SC..THydrogen-bonded Turntrans5444-179.7-57.5173.72500112.4K155 L156 A157K155-Q159 WeakPolarHBondContact O-CA 3.46Å; K155-Q159 PolarHBondContact O-N 2.88Å; L156-Q159 PolarHBondContact O-N 3.46Å; L156-Q159 VanDerWaalsContact O-N 3.1Å; A157-Q159 PolarHBondContact O-N 3.37Å
160K95.7Very high96.8Very high56 Ų5642.9 Ų42.924%0.24323%0.227CC..  trans-145.197.2179-169.7172.9171.752.40111.6K155 L158 D162 L163 T170 C174K155-K160 WeakPolarHBondContact CB-O 3.31Å; K155-K160 WeakPolarHBondContact CG-O 3.42Å; K155-K160 PolarHBondContact O-N 2.95Å; L158-K160 VanDerWaalsContact C-N 3.3Å; L158-K160 PolarHBondContact O-N 2.97Å; K160-D162 WeakPolarHBondContact CG-OD1 3.3Å; K160-D162 VanDerWaalsContact NZ-CG 3.27Å; K160-D162 IonicContact NZ-OD1 3.9Å; K160-D162 PolarHBondContact NZ-OD1 2.69Å; K160-D162 IonicContact NZ-OD2 2.66Å; K160-D162 PolarHBondContact NZ-OD2 2.75Å; K160-D162 VanDerWaalsContact NZ-OD2 3.14Å; K160-D162 PolarHBondContact O-N 3.44Å; K160-L163 HydrophobicContact CB-CB 4.11Å; K160-L163 HydrophobicContact CD-CB 4.15Å; K160-L163 HydrophobicContact CD-CD1 4.08Å; K160-L163 HydrophobicContact CG-CB 3.93Å; K160-L163 VanDerWaalsContact O-CB 3.26Å; K160-L163 WeakPolarHBondContact O-CB 3.17Å; K160-L163 PolarHBondContact O-N 3.42Å; K160-T170 HydrophobicContact CD-CG2 4.12Å; K160-C174 WeakPolarHBondContact CD-SG 3.3Å
161D94Very high96.8Very high82 Ų8241.7 Ų41.744%0.43922%0.221SC..THydrogen-bonded Turntrans-68.2-33.6-176-84.36.3000114R60 K155 L163R60-D161 IonicContact CZ-OD1 2.63Å; R60-D161 IonicContact CZ-OD2 2.9Å; R60-D161 IonicContact NE-OD1 2.94Å; R60-D161 PolarHBondContact NE-OD1 3.41Å; R60-D161 IonicContact NE-OD2 2.74Å; R60-D161 PolarHBondContact NE-OD2 3.21Å; R60-D161 IonicContact NH2-OD1 2.83Å; R60-D161 PolarHBondContact NH2-OD1 2.79Å; R60-D161 IonicContact NH2-OD2 2.77Å; R60-D161 PolarHBondContact NH2-OD2 3.27Å; K155-D161 WeakPolarHBondContact CD-O 3.35Å; K155-D161 WeakPolarHBondContact CE-O 3.45Å; K155-D161 PolarHBondContact NZ-O 2.98Å; D161-L163 VanDerWaalsContact C-N 3.31Å
162D95.5Very high96.8Very high115 Ų11541 Ų4162%0.61522%0.215SC*.THydrogen-bonded Turntrans-92.114.3178.869-30.5000112.6K160 D164K160-D162 WeakPolarHBondContact CG-OD1 3.3Å; K160-D162 VanDerWaalsContact NZ-CG 3.27Å; K160-D162 IonicContact NZ-OD1 3.9Å; K160-D162 PolarHBondContact NZ-OD1 2.69Å; K160-D162 IonicContact NZ-OD2 2.66Å; K160-D162 PolarHBondContact NZ-OD2 2.75Å; K160-D162 VanDerWaalsContact NZ-OD2 3.14Å; K160-D162 PolarHBondContact O-N 3.44Å; D162-D164 PolarHBondContact O-N 2.98Å; D162-D164 VanDerWaalsContact O-N 3.09Å
163L96.8Very high96.8Very high5 Ų545.7 Ų45.73%0.02624%0.237CC..  trans-57.3117.6-179.717861.5000110.5K155 L158 K160 D161 F165 T170 L171K155-L163 WeakPolarHBondContact CE-O 3.19Å; K155-L163 HydrophobicContact CG-CB 4.25Å; L158-L163 HydrophobicContact CD1-CD2 3.53Å; K160-L163 HydrophobicContact CB-CB 4.11Å; K160-L163 HydrophobicContact CD-CB 4.15Å; K160-L163 HydrophobicContact CD-CD1 4.08Å; K160-L163 HydrophobicContact CG-CB 3.93Å; K160-L163 VanDerWaalsContact O-CB 3.26Å; K160-L163 WeakPolarHBondContact O-CB 3.17Å; K160-L163 PolarHBondContact O-N 3.42Å; D161-L163 VanDerWaalsContact C-N 3.31Å; L163-F165 HydrophobicContact CD2-CD1 4.04Å; L163-F165 HydrophobicContact CD2-CE1 3.55Å; L163-F165 HydrophobicContact CD2-CE2 4.28Å; L163-F165 HydrophobicContact CD2-CZ 3.69Å; L163-F165 HydrophobicContact CG-CD1 4.38Å; L163-F165 HydrophobicContact CG-CE1 4.3Å; L163-F165 HydrophobicContact CG-CZ 4.37Å; L163-F165 PolarHBondContact O-N 3.47Å; L163-T170 HydrophobicContact CD1-CG2 3.76Å; L163-L171 HydrophobicContact CD2-CD1 4.08Å
164D97.2Very high96.7Very high91 Ų9146.2 Ų46.249%0.48724%0.24SC..  trans-79.5110.7164.7-177.21.7000108.3D162 D166 D167D162-D164 PolarHBondContact O-N 2.98Å; D162-D164 VanDerWaalsContact O-N 3.09Å; D164-D166 PolarHBondContact O-N 3.49Å; D164-D166 PolarHBondContact OD1-N 3.47Å; D164-D167 HydrophobicContact CB-CB 4.48Å; D164-D167 PolarHBondContact O-N 3.44Å
165F97.2Very high96.7Very high18 Ų1846.6 Ų46.68%0.07924%0.242CC..THydrogen-bonded Turntrans-74.3-6.8178.7-77.4-76.4000113F117 R118 M122 T151 M154 K155 L163 L171F117-F165 HydrophobicContact CE1-CD1 4.41Å; F117-F165 HydrophobicContact CZ-CE1 4.45Å; R118-F165 PolarHBondContact NH1-O 3.28Å; R118-F165 PolarHBondContact NH2-O 3.08Å; M122-F165 HydrophobicContact CE-CD1 4.23Å; M122-F165 HydrophobicContact CE-CD2 4.17Å; M122-F165 HydrophobicContact CE-CE1 4.33Å; M122-F165 HydrophobicContact CE-CE2 4.26Å; M122-F165 HydrophobicContact CE-CG 4.15Å; M122-F165 HydrophobicContact CE-CZ 4.34Å; M122-F165 HydrophobicContact SD-CB 3.34Å; M122-F165 WeakPolarHBondContact SD-CB 3.21Å; M122-F165 HydrophobicContact SD-CD1 3.5Å; M122-F165 WeakPolarHBondContact SD-CD1 3.3Å; M122-F165 HydrophobicContact SD-CD2 3.75Å; M122-F165 HydrophobicContact SD-CE1 4.17Å; M122-F165 HydrophobicContact SD-CE2 4.38Å; M122-F165 HydrophobicContact SD-CG 3.25Å; M122-F165 WeakPolarHBondContact SD-CG 3.21Å; T151-F165 HydrophobicContact CG2-CD2 4.08Å; T151-F165 HydrophobicContact CG2-CE2 3.65Å; M154-F165 HydrophobicContact CB-CE1 4.09Å; M154-F165 HydrophobicContact CB-CZ 3.71Å; K155-F165 HydrophobicContact CD-CE2 4.27Å; K155-F165 HydrophobicContact CG-CE2 3.78Å; K155-F165 HydrophobicContact CG-CZ 4.02Å; L163-F165 HydrophobicContact CD2-CD1 4.04Å; L163-F165 HydrophobicContact CD2-CE1 3.55Å; L163-F165 HydrophobicContact CD2-CE2 4.28Å; L163-F165 HydrophobicContact CD2-CZ 3.69Å; L163-F165 HydrophobicContact CG-CD1 4.38Å; L163-F165 HydrophobicContact CG-CE1 4.3Å; L163-F165 HydrophobicContact CG-CZ 4.37Å; L163-F165 PolarHBondContact O-N 3.47Å; F165-L171 HydrophobicContact CD1-CD1 4.18Å; F165-L171 HydrophobicContact CE1-CD1 4.24Å
166D97.5Very high96.6Very high50 Ų5049 Ų4927%0.26725%0.253SS..THydrogen-bonded Turntrans-86.4-14.9174-73.1-33.3000113.1K124 S125 D164 D168K124-D166 WeakPolarHBondContact CA-OD1 3.3Å; K124-D166 VanDerWaalsContact CE-O 3.27Å; K124-D166 WeakPolarHBondContact CE-O 3.28Å; K124-D166 PolarHBondContact NZ-O 2.9Å; S125-D166 WeakPolarHBondContact CB-OD2 3.33Å; S125-D166 PolarHBondContact N-OD1 3.33Å; S125-D166 PolarHBondContact OG-OD1 3.25Å; S125-D166 PolarHBondContact OG-OD2 3.06Å; D164-D166 PolarHBondContact O-N 3.49Å; D164-D166 PolarHBondContact OD1-N 3.47Å; D166-D168 PolarHBondContact O-N 2.97Å
167D97.7Very high96.5Very high57 Ų5753.9 Ų53.931%0.30527%0.274SS..  trans-86.4102.6174.9-175.6-3.3000111.8D164 V169 T170 L171D164-D167 HydrophobicContact CB-CB 4.48Å; D164-D167 PolarHBondContact O-N 3.44Å; D167-V169 VanDerWaalsContact C-N 3.3Å; D167-V169 PolarHBondContact O-N 2.91Å; D167-V169 WeakPolarHBondContact OD1-CB 3.48Å; D167-V169 PolarHBondContact OD1-N 2.91Å; D167-T170 PolarHBondContact OD1-N 3.24Å; D167-T170 VanDerWaalsContact OD2-CB 3.3Å; D167-T170 WeakPolarHBondContact OD2-CB 3.41Å; D167-T170 PolarHBondContact OD2-OG1 3.33Å; D167-L171 VanDerWaalsContact O-CB 3.28Å; D167-L171 WeakPolarHBondContact O-CB 3.34Å; D167-L171 PolarHBondContact O-N 3.36Å
168D98.1Very high96.4Very high45 Ų4554 Ų5424%0.24127%0.273CS..Hα-helixtrans-65.1-32.3177.9-71.8-27.3000113L114 R118 K124 D166 L172L114-D168 HydrophobicContact CD2-CB 3.76Å; R118-D168 IonicContact CZ-OD1 3.56Å; R118-D168 VanDerWaalsContact CZ-OD1 3.22Å; R118-D168 IonicContact NE-OD1 2.82Å; R118-D168 PolarHBondContact NE-OD1 2.79Å; R118-D168 IonicContact NH2-OD1 3.5Å; R118-D168 PolarHBondContact NH2-OD1 2.63Å; K124-D168 WeakPolarHBondContact CE-OD1 3.32Å; K124-D168 WeakPolarHBondContact CE-OD2 3.25Å; K124-D168 IonicContact NZ-OD1 2.73Å; K124-D168 IonicContact NZ-OD2 2.9Å; K124-D168 PolarHBondContact NZ-OD2 2.73Å; D166-D168 PolarHBondContact O-N 2.97Å; D168-L172 WeakPolarHBondContact O-CB 3.42Å; D168-L172 VanDerWaalsContact O-CG 3.24Å; D168-L172 WeakPolarHBondContact O-CG 3.41Å; D168-L172 PolarHBondContact O-N 2.7Å
169V97.8Very high96.3Very high91 Ų9154.3 Ų54.355%0.55228%0.275SS*.Hα-helixtrans-68.2-53.7-177.7178.10000108.7D167 L171 L172 E173D167-V169 VanDerWaalsContact C-N 3.3Å; D167-V169 PolarHBondContact O-N 2.91Å; D167-V169 WeakPolarHBondContact OD1-CB 3.48Å; D167-V169 PolarHBondContact OD1-N 2.91Å; V169-L171 VanDerWaalsContact C-N 3.29Å; V169-L171 PolarHBondContact O-N 3.23Å; V169-L172 PolarHBondContact O-N 2.96Å; V169-E173 WeakPolarHBondContact O-CG 3.37Å; V169-E173 PolarHBondContact O-N 3.23Å
170T97.4Very high96.2Very high33 Ų3355.9 Ų55.920%0.20228%0.28CS..Hα-helixtrans-59.3-40.6176.7-63.90000111.5K160 L163 D167 L172 E173 C174K160-T170 HydrophobicContact CD-CG2 4.12Å; L163-T170 HydrophobicContact CD1-CG2 3.76Å; D167-T170 PolarHBondContact OD1-N 3.24Å; D167-T170 VanDerWaalsContact OD2-CB 3.3Å; D167-T170 WeakPolarHBondContact OD2-CB 3.41Å; D167-T170 PolarHBondContact OD2-OG1 3.33Å; T170-L172 PolarHBondContact O-N 3.33Å; T170-E173 PolarHBondContact O-N 3Å; T170-C174 WeakPolarHBondContact O-CB 3.48Å; T170-C174 PolarHBondContact O-N 3.12Å
171L97.9Very high95.9Very high0 Ų054.6 Ų54.60%028%0.277CS..Hα-helixtrans-63.5-41.2178.9-176.859000112.6W113 L114 F117 L158 L163 F165 D167 V169 C174 Y175W113-L171 HydrophobicContact CH2-CD1 3.83Å; W113-L171 HydrophobicContact CH2-CD2 4.24Å; W113-L171 HydrophobicContact CH2-CG 3.8Å; W113-L171 HydrophobicContact CZ3-CD1 4.45Å; W113-L171 HydrophobicContact CZ3-CD2 4.43Å; W113-L171 HydrophobicContact CZ3-CG 3.96Å; L114-L171 HydrophobicContact CD1-CD2 3.66Å; L114-L171 HydrophobicContact CD1-CG 4.37Å; F117-L171 HydrophobicContact CD1-CD2 4Å; F117-L171 HydrophobicContact CE1-CD2 4Å; L158-L171 HydrophobicContact CD1-CD1 3.83Å; L163-L171 HydrophobicContact CD2-CD1 4.08Å; F165-L171 HydrophobicContact CD1-CD1 4.18Å; F165-L171 HydrophobicContact CE1-CD1 4.24Å; D167-L171 VanDerWaalsContact O-CB 3.28Å; D167-L171 WeakPolarHBondContact O-CB 3.34Å; D167-L171 PolarHBondContact O-N 3.36Å; V169-L171 VanDerWaalsContact C-N 3.29Å; V169-L171 PolarHBondContact O-N 3.23Å; L171-C174 PolarHBondContact O-N 3.37Å; L171-Y175 PolarHBondContact O-N 2.95Å
172L97.9Very high95.7Very high24 Ų2450.7 Ų50.713%0.12626%0.256CS..Hα-helixtrans-67.6-41176.2-75.2172.6000112.3K110 W113 L114 D168 V169 T170 C174 Y175 E176K110-L172 HydrophobicContact CB-CD2 3.8Å; K110-L172 HydrophobicContact CD-CD2 4.32Å; K110-L172 HydrophobicContact CG-CD2 3.91Å; K110-L172 VanDerWaalsContact O-CD2 3.28Å; K110-L172 WeakPolarHBondContact O-CD2 3.43Å; W113-L172 HydrophobicContact CE3-CD2 4.39Å; L114-L172 HydrophobicContact CB-CD2 3.89Å; L114-L172 HydrophobicContact CD2-CD1 3.84Å; L114-L172 HydrophobicContact CD2-CD2 4.16Å; L114-L172 HydrophobicContact CD2-CG 3.95Å; D168-L172 WeakPolarHBondContact O-CB 3.42Å; D168-L172 VanDerWaalsContact O-CG 3.24Å; D168-L172 WeakPolarHBondContact O-CG 3.41Å; D168-L172 PolarHBondContact O-N 2.7Å; V169-L172 PolarHBondContact O-N 2.96Å; T170-L172 PolarHBondContact O-N 3.33Å; L172-C174 VanDerWaalsContact C-N 3.34Å; L172-Y175 WeakPolarHBondContact O-CB 3.3Å; L172-Y175 PolarHBondContact O-N 3.03Å; L172-E176 PolarHBondContact O-N 2.76Å
173E97.2Very high95.5Very high119 Ų11949.7 Ų49.756%0.55625%0.248SC*.Hα-helixtrans-61.3-44174.8-71.9-179.5171.300111.4V169 T170 Y175 E176 K177V169-E173 WeakPolarHBondContact O-CG 3.37Å; V169-E173 PolarHBondContact O-N 3.23Å; T170-E173 PolarHBondContact O-N 3Å; E173-Y175 PolarHBondContact O-N 3.38Å; E173-E176 PolarHBondContact O-N 3.4Å; E173-K177 VanDerWaalsContact O-CB 3.24Å; E173-K177 WeakPolarHBondContact O-CB 3.43Å; E173-K177 PolarHBondContact O-N 3.24Å
174C97Very high95.2Very high12 Ų1255.5 Ų55.58%0.08128%0.275CS..Hα-helixtrans-59.9-43.8173.4-83.50000112.1L158 K160 T170 L171 L172 H178L158-C174 HydrophobicContact CB-CB 4.23Å; L158-C174 HydrophobicContact CD1-CB 4.33Å; L158-C174 HydrophobicContact CD2-CB 4.16Å; L158-C174 HydrophobicContact CG-CB 4.48Å; K160-C174 WeakPolarHBondContact CD-SG 3.3Å; T170-C174 WeakPolarHBondContact O-CB 3.48Å; T170-C174 PolarHBondContact O-N 3.12Å; L171-C174 PolarHBondContact O-N 3.37Å; L172-C174 VanDerWaalsContact C-N 3.34Å; C174-H178 WeakPolarHBondContact O-CB 3.5Å; C174-H178 PolarHBondContact O-N 3.01Å
175Y96.4Very high95Very high8 Ų856.2 Ų56.23%0.03128%0.279CS..Hα-helixtrans-59-51.8176.6177.4-93.2000111.6L15 T18 R108 K110 W113 L171 L172 E173 K177 H178 M179L15-Y175 HydrophobicContact CD1-CD2 3.63Å; L15-Y175 HydrophobicContact CD1-CE2 3.96Å; T18-Y175 HydrophobicContact CG2-CE2 4.25Å; R108-Y175 PolarHBondContact O-OH 2.85Å; K110-Y175 HydrophobicContact CB-CD1 3.88Å; K110-Y175 HydrophobicContact CB-CE1 4.02Å; W113-Y175 HydrophobicContact CB-CE2 4.38Å; W113-Y175 AromaticContact CD1-CE2 3.88Å; W113-Y175 AromaticContact CD2-CD2 3.47Å; W113-Y175 HydrophobicContact CD2-CD2 3.47Å; W113-Y175 VanDerWaalsContact CD2-CD2 3.47Å; W113-Y175 AromaticContact CD2-CE2 3.61Å; W113-Y175 HydrophobicContact CD2-CE2 3.61Å; W113-Y175 HydrophobicContact CD2-CG 4.12Å; W113-Y175 AromaticContact CE2-CD2 3.56Å; W113-Y175 AromaticContact CE2-CE2 3.77Å; W113-Y175 HydrophobicContact CE3-CD1 4.41Å; W113-Y175 AromaticContact CE3-CD2 3.57Å; W113-Y175 HydrophobicContact CE3-CD2 3.57Å; W113-Y175 HydrophobicContact CE3-CE2 4.12Å; W113-Y175 AromaticContact CE3-CG 3.76Å; W113-Y175 HydrophobicContact CE3-CG 3.76Å; W113-Y175 HydrophobicContact CG-CD2 4.09Å; W113-Y175 AromaticContact CG-CE2 3.7Å; W113-Y175 HydrophobicContact CG-CE2 3.7Å; W113-Y175 AromaticContact CH2-CD2 3.85Å; W113-Y175 HydrophobicContact CH2-CD2 3.85Å; W113-Y175 HydrophobicContact CH2-CG 4.28Å; W113-Y175 AromaticContact CZ2-CD2 3.77Å; W113-Y175 HydrophobicContact CZ2-CD2 3.77Å; W113-Y175 HydrophobicContact CZ2-CE2 4.39Å; W113-Y175 AromaticContact CZ3-CD2 3.76Å; W113-Y175 HydrophobicContact CZ3-CD2 3.76Å; W113-Y175 AromaticContact CZ3-CG 3.84Å; W113-Y175 HydrophobicContact CZ3-CG 3.84Å; W113-Y175 AromaticContact NE1-CE2 3.91Å; L171-Y175 PolarHBondContact O-N 2.95Å; L172-Y175 WeakPolarHBondContact O-CB 3.3Å; L172-Y175 PolarHBondContact O-N 3.03Å; E173-Y175 PolarHBondContact O-N 3.38Å; Y175-K177 PolarHBondContact O-N 3.33Å; Y175-H178 PolarHBondContact O-N 3.38Å; Y175-M179 HydrophobicContact CD1-CG 4.27Å; Y175-M179 HydrophobicContact CE1-CG 3.89Å; Y175-M179 HydrophobicContact CE2-CE 4.48Å; Y175-M179 HydrophobicContact CE2-CG 4.35Å; Y175-M179 HydrophobicContact CE2-SD 4.5Å; Y175-M179 VanDerWaalsContact O-CG 3.31Å; Y175-M179 WeakPolarHBondContact O-CG 3.31Å; Y175-M179 PolarHBondContact O-N 3.23Å
176E95.4Very high94.8Very high88 Ų8855.8 Ų55.841%0.41128%0.277SS..Hα-helixtrans-62.9-44.5-180-71.9-178.5123.200111.9K110 L172 E173 H178 M179 K180K110-E176 HydrophobicContact CD-CG 3.8Å; K110-E176 WeakPolarHBondContact CD-OE1 3.39Å; K110-E176 WeakPolarHBondContact CE-OE1 3.18Å; K110-E176 IonicContact NZ-OE1 2.7Å; K110-E176 PolarHBondContact NZ-OE1 3.31Å; K110-E176 IonicContact NZ-OE2 2.76Å; K110-E176 PolarHBondContact NZ-OE2 3Å; L172-E176 PolarHBondContact O-N 2.76Å; E173-E176 PolarHBondContact O-N 3.4Å; E176-H178 VanDerWaalsContact C-N 3.33Å; E176-H178 PolarHBondContact O-N 3.46Å; E176-M179 PolarHBondContact O-N 3.29Å; E176-K180 WeakPolarHBondContact O-CB 3.43Å; E176-K180 PolarHBondContact O-N 3.17Å
177K94.6Very high94.6Very high130 Ų13056.3 Ų56.357%0.56528%0.283SS*.Hα-helixtrans-59.5-44.8175.8-177.8-177.2177.1-1730111.2E173 Y175 K180 T181E173-K177 VanDerWaalsContact O-CB 3.24Å; E173-K177 WeakPolarHBondContact O-CB 3.43Å; E173-K177 PolarHBondContact O-N 3.24Å; Y175-K177 PolarHBondContact O-N 3.33Å; K177-K180 PolarHBondContact O-N 2.72Å; K177-T181 VanDerWaalsContact O-CB 3.26Å; K177-T181 WeakPolarHBondContact O-CB 3.47Å; K177-T181 PolarHBondContact O-N 3.33Å; K177-T181 PolarHBondContact O-OG1 3.29Å
178H93.5Very high94.4Very high6 Ų658.3 Ų58.33%0.02830%0.302CS..Hα-helixtrans-62.3-48.3179174.972000110.9A157 L158 C174 Y175 E176 K180 T181 F182A157-H178 PolarHBondContact O-CE1 3.46Å; A157-H178 VanDerWaalsContact O-CE1 3.22Å; A157-H178 PolarHBondContact O-ND1 2.92Å; L158-H178 HydrophobicContact CD2-CB 4.02Å; C174-H178 WeakPolarHBondContact O-CB 3.5Å; C174-H178 PolarHBondContact O-N 3.01Å; Y175-H178 PolarHBondContact O-N 3.38Å; E176-H178 VanDerWaalsContact C-N 3.33Å; E176-H178 PolarHBondContact O-N 3.46Å; H178-K180 VanDerWaalsContact C-N 3.34Å; H178-K180 PolarHBondContact O-N 3.43Å; H178-T181 PolarHBondContact O-N 2.86Å; H178-F182 VanDerWaalsContact O-CB 3.25Å; H178-F182 WeakPolarHBondContact O-CB 3.5Å; H178-F182 PolarHBondContact O-N 3.11Å
179M93Very high94.2Very high14 Ų1463 Ų637%0.06932%0.322CS..Hα-helixtrans-59.5-41.4177-67.7-64.610200112.9L15 L105 V107 Y175 E176 Q183L15-M179 HydrophobicContact CD1-CE 4.25Å; L15-M179 HydrophobicContact CG-CE 4.27Å; L105-M179 HydrophobicContact CD1-CE 3.86Å; L105-M179 HydrophobicContact CD1-SD 4.12Å; L105-M179 HydrophobicContact CD2-SD 4.04Å; L105-M179 HydrophobicContact CG-SD 4.26Å; V107-M179 HydrophobicContact CG1-SD 3.71Å; Y175-M179 HydrophobicContact CD1-CG 4.27Å; Y175-M179 HydrophobicContact CE1-CG 3.89Å; Y175-M179 HydrophobicContact CE2-CE 4.48Å; Y175-M179 HydrophobicContact CE2-CG 4.35Å; Y175-M179 HydrophobicContact CE2-SD 4.5Å; Y175-M179 VanDerWaalsContact O-CG 3.31Å; Y175-M179 WeakPolarHBondContact O-CG 3.31Å; Y175-M179 PolarHBondContact O-N 3.23Å; E176-M179 PolarHBondContact O-N 3.29Å; M179-Q183 WeakPolarHBondContact O-CG 3.34Å; M179-Q183 PolarHBondContact O-N 2.77Å; M179-Q183 PolarHBondContact O-NE2 2.99Å
180K91.7Very high94.1Very high129 Ų12960.9 Ų60.956%0.56130%0.304SS*.Hα-helixtrans-67.3-53.6177.9179178.7173.4-179.20111.4E176 K177 H178 F182 Q183 E184E176-K180 WeakPolarHBondContact O-CB 3.43Å; E176-K180 PolarHBondContact O-N 3.17Å; K177-K180 PolarHBondContact O-N 2.72Å; H178-K180 VanDerWaalsContact C-N 3.34Å; H178-K180 PolarHBondContact O-N 3.43Å; K180-F182 PolarHBondContact O-N 3.5Å; K180-Q183 PolarHBondContact O-N 2.82Å; K180-Q183 VanDerWaalsContact O-N 3.15Å; K180-E184 WeakPolarHBondContact CE-OE1 3.44Å; K180-E184 IonicContact NZ-OE1 3.9Å; K180-E184 WeakPolarHBondContact O-CG 3.43Å; K180-E184 PolarHBondContact O-N 2.79Å; K180-E184 VanDerWaalsContact O-N 3.07Å
181T89.3Confident94.2Very high29 Ų2960.3 Ų60.318%0.17830%0.3CS..Hα-helixtrans-58.1-36.5-179.6-54.50000111.3K177 H178 N185K177-T181 VanDerWaalsContact O-CB 3.26Å; K177-T181 WeakPolarHBondContact O-CB 3.47Å; K177-T181 PolarHBondContact O-N 3.33Å; K177-T181 PolarHBondContact O-OG1 3.29Å; H178-T181 PolarHBondContact O-N 2.86Å; T181-N185 WeakPolarHBondContact CG2-ND2 3.47Å; T181-N185 WeakPolarHBondContact O-CB 3.41Å; T181-N185 PolarHBondContact O-N 3.1Å; T181-N185 PolarHBondContact O-ND2 3.07Å
182F90.8Very high94.2Very high1 Ų161.4 Ų61.40%0.00431%0.305CS..Hα-helixtrans-62.6-49.5177.3-165.2-86.4000112.3A13 Y91 V103 L105 H178 K180 E184 N185 I186 L191A13-F182 HydrophobicContact CB-CD2 4.4Å; A13-F182 HydrophobicContact CB-CE1 4.07Å; A13-F182 HydrophobicContact CB-CE2 3.28Å; A13-F182 HydrophobicContact CB-CZ 3.07Å; Y91-F182 HydrophobicContact CD1-CD2 4.3Å; Y91-F182 AromaticContact CD1-CE2 3.79Å; Y91-F182 HydrophobicContact CD1-CE2 3.79Å; Y91-F182 HydrophobicContact CD2-CD2 4.25Å; Y91-F182 AromaticContact CD2-CE2 3.47Å; Y91-F182 HydrophobicContact CD2-CE2 3.47Å; Y91-F182 VanDerWaalsContact CD2-CE2 3.47Å; Y91-F182 HydrophobicContact CD2-CZ 4.12Å; Y91-F182 AromaticContact CE1-CD2 3.99Å; Y91-F182 HydrophobicContact CE1-CD2 3.99Å; Y91-F182 AromaticContact CE1-CE2 3.93Å; Y91-F182 HydrophobicContact CE1-CE2 3.93Å; Y91-F182 AromaticContact CE2-CD2 3.94Å; Y91-F182 HydrophobicContact CE2-CD2 3.94Å; Y91-F182 AromaticContact CE2-CE2 3.63Å; Y91-F182 HydrophobicContact CE2-CE2 3.63Å; Y91-F182 HydrophobicContact CE2-CZ 4.47Å; Y91-F182 HydrophobicContact CG-CD2 4.41Å; Y91-F182 AromaticContact CG-CE2 3.55Å; Y91-F182 HydrophobicContact CG-CE2 3.55Å; Y91-F182 HydrophobicContact CG-CZ 4.35Å; Y91-F182 AromaticContact CZ-CD2 3.79Å; Y91-F182 AromaticContact CZ-CE2 3.84Å; V103-F182 HydrophobicContact CG1-CE1 3.86Å; V103-F182 HydrophobicContact CG1-CZ 3.54Å; L105-F182 HydrophobicContact CB-CD1 4.1Å; L105-F182 HydrophobicContact CB-CE1 3.85Å; L105-F182 HydrophobicContact CD1-CD1 3.84Å; L105-F182 HydrophobicContact CD1-CD2 4.47Å; L105-F182 HydrophobicContact CD1-CE1 3.95Å; L105-F182 HydrophobicContact CD1-CG 4.1Å; L105-F182 HydrophobicContact CD1-CZ 4.37Å; L105-F182 HydrophobicContact CD2-CB 4.43Å; L105-F182 HydrophobicContact CD2-CD1 3.7Å; L105-F182 HydrophobicContact CD2-CE1 4.32Å; L105-F182 HydrophobicContact CD2-CG 4.28Å; L105-F182 HydrophobicContact CG-CD1 4.08Å; L105-F182 HydrophobicContact CG-CE1 4.25Å; H178-F182 VanDerWaalsContact O-CB 3.25Å; H178-F182 WeakPolarHBondContact O-CB 3.5Å; H178-F182 PolarHBondContact O-N 3.11Å; K180-F182 PolarHBondContact O-N 3.5Å; F182-E184 VanDerWaalsContact C-N 3.29Å; F182-E184 PolarHBondContact O-N 3.18Å; F182-N185 PolarHBondContact O-N 2.87Å; F182-I186 HydrophobicContact CD1-CD1 3.57Å; F182-I186 HydrophobicContact CD2-CD1 3.97Å; F182-I186 HydrophobicContact CE1-CD1 3.13Å; F182-I186 HydrophobicContact CE2-CD1 3.54Å; F182-I186 HydrophobicContact CG-CD1 3.97Å; F182-I186 HydrophobicContact CZ-CD1 3.08Å; F182-I186 PolarHBondContact O-N 3.36Å; F182-L191 HydrophobicContact CD1-CD1 4.23Å; F182-L191 HydrophobicContact CD1-CD2 4.43Å; F182-L191 HydrophobicContact CE1-CD1 3.63Å
183Q90.9Very high94.1Very high94 Ų9462.4 Ų62.444%0.43931%0.312SS..Hα-helixtrans-66.7-30.3-179.6-73170.572.900112.6L105 M179 K180 L191 V193L105-Q183 HydrophobicContact CD2-CG 4.07Å; M179-Q183 WeakPolarHBondContact O-CG 3.34Å; M179-Q183 PolarHBondContact O-N 2.77Å; M179-Q183 PolarHBondContact O-NE2 2.99Å; K180-Q183 PolarHBondContact O-N 2.82Å; K180-Q183 VanDerWaalsContact O-N 3.15Å; Q183-L191 HydrophobicContact CG-CD2 4.23Å; Q183-V193 HydrophobicContact CG-CG2 3.92Å
184E91.4Very high94.1Very high127 Ų12756.9 Ų56.959%0.59329%0.287SS*.Hα-helixtrans-75-28.8178-71.9173168.900113.4K180 F182K180-E184 WeakPolarHBondContact CE-OE1 3.44Å; K180-E184 IonicContact NZ-OE1 3.9Å; K180-E184 WeakPolarHBondContact O-CG 3.43Å; K180-E184 PolarHBondContact O-N 2.79Å; K180-E184 VanDerWaalsContact O-N 3.07Å; F182-E184 VanDerWaalsContact C-N 3.29Å; F182-E184 PolarHBondContact O-N 3.18Å
185N91.9Very high94Very high105 Ų10563.5 Ų63.556%0.56131%0.31SS*.Hα-helixtrans-102.2-6-170.5-73.1-59.3000115T181 F182T181-N185 WeakPolarHBondContact CG2-ND2 3.47Å; T181-N185 WeakPolarHBondContact O-CB 3.41Å; T181-N185 PolarHBondContact O-N 3.1Å; T181-N185 PolarHBondContact O-ND2 3.07Å; F182-N185 PolarHBondContact O-N 2.87Å
186I93.4Very high93.3Very high9 Ų967.2 Ų67.25%0.04633%0.326CS..SBendtrans-112.3127.7-180-64.5164.5000109Y91 M95 V103 F182 S188 L191Y91-I186 HydrophobicContact CD2-CD1 4.01Å; Y91-I186 HydrophobicContact CE2-CD1 3.9Å; Y91-I186 HydrophobicContact CE2-CG1 4.44Å; M95-I186 HydrophobicContact CE-CG1 4.1Å; M95-I186 HydrophobicContact CE-CG2 4.02Å; M95-I186 HydrophobicContact SD-CD1 4.06Å; M95-I186 HydrophobicContact SD-CG1 4.04Å; V103-I186 HydrophobicContact CG1-CD1 4.2Å; F182-I186 HydrophobicContact CD1-CD1 3.57Å; F182-I186 HydrophobicContact CD2-CD1 3.97Å; F182-I186 HydrophobicContact CE1-CD1 3.13Å; F182-I186 HydrophobicContact CE2-CD1 3.54Å; F182-I186 HydrophobicContact CG-CD1 3.97Å; F182-I186 HydrophobicContact CZ-CD1 3.08Å; F182-I186 PolarHBondContact O-N 3.36Å; I186-S188 PolarHBondContact O-N 3.35Å; I186-L191 HydrophobicContact CB-CB 4.48Å; I186-L191 HydrophobicContact CB-CD2 4.31Å; I186-L191 HydrophobicContact CG2-CB 3.83Å
187P93.2Very high92.9Very high62 Ų6267.5 Ų67.540%0.40334%0.344SS..  trans-54.9131.7177.8-23.532.1000111.6E189 R190 L191P187-E189 HydrophobicContact CB-CG 4.31Å; P187-E189 WeakPolarHBondContact CB-OE1 3.29Å; P187-E189 WeakPolarHBondContact CB-OE2 3.45Å; P187-E189 PolarHBondContact O-N 2.96Å; P187-E189 VanDerWaalsContact O-N 3.16Å; P187-R190 WeakPolarHBondContact O-CA 3.36Å; P187-R190 PolarHBondContact O-N 3.23Å; P187-L191 PolarHBondContact O-N 3.09Å
188S93Very high92.9Very high98 Ų9864.3 Ų64.369%0.68533%0.333SS*.G310 helixtrans-58.3-31.1-17359.70000113.6I186 R190 L191I186-S188 PolarHBondContact O-N 3.35Å; S188-R190 PolarHBondContact O-N 3.36Å; S188-L191 PolarHBondContact O-N 3.5Å; S188-L191 VanDerWaalsContact O-O 3.09Å
189E94.9Very high93Very high143 Ų14364.8 Ų64.867%0.66834%0.339SS*.G310 helixtrans-67.3-21.5176.165.4-85.8-16000113.1P187P187-E189 HydrophobicContact CB-CG 4.31Å; P187-E189 WeakPolarHBondContact CB-OE1 3.29Å; P187-E189 WeakPolarHBondContact CB-OE2 3.45Å; P187-E189 PolarHBondContact O-N 2.96Å; P187-E189 VanDerWaalsContact O-N 3.16Å
190R96.1Very high93.3Very high47 Ų4765.1 Ų65.118%0.17734%0.34CS..G310 helixtrans-103-4.1178.4-164.8174.4176.2-170.5-0.5112.3M95 Y98 P99 A101 V103 P187 S188 F206M95-R190 PolarHBondContact O-NH1 3.33Å; M95-R190 PolarHBondContact O-NH2 2.87Å; Y98-R190 PolarHBondContact O-NH2 2.98Å; P99-R190 VanDerWaalsContact O-CZ 3.27Å; P99-R190 PolarHBondContact O-NH2 2.94Å; A101-R190 VanDerWaalsContact O-CZ 3.28Å; A101-R190 PolarHBondContact O-NE 2.85Å; A101-R190 PolarHBondContact O-NH2 2.61Å; V103-R190 WeakPolarHBondContact CB-O 3.42Å; V103-R190 HydrophobicContact CG2-CG 4.3Å; V103-R190 PolarHBondContact N-O 3.38Å; P187-R190 WeakPolarHBondContact O-CA 3.36Å; P187-R190 PolarHBondContact O-N 3.23Å; S188-R190 PolarHBondContact O-N 3.36Å; R190-F206 WeakPolarHBondContact O-CZ 3.49Å
191L97.8Very high93.6Very high21 Ų2164.3 Ų64.311%0.1134%0.338CS..EExtended strand (participates in β ladder)trans-118.3128.2-174.1179.458.8000112.6V103 L105 F182 Q183 I186 P187 S188 V193V103-L191 HydrophobicContact CB-CD1 4.38Å; V103-L191 HydrophobicContact CG1-CD1 4.14Å; V103-L191 WeakPolarHBondContact O-CA 3.41Å; L105-L191 HydrophobicContact CB-CD1 4.07Å; F182-L191 HydrophobicContact CD1-CD1 4.23Å; F182-L191 HydrophobicContact CD1-CD2 4.43Å; F182-L191 HydrophobicContact CE1-CD1 3.63Å; Q183-L191 HydrophobicContact CG-CD2 4.23Å; I186-L191 HydrophobicContact CB-CB 4.48Å; I186-L191 HydrophobicContact CB-CD2 4.31Å; I186-L191 HydrophobicContact CG2-CB 3.83Å; P187-L191 PolarHBondContact O-N 3.09Å; S188-L191 PolarHBondContact O-N 3.5Å; S188-L191 VanDerWaalsContact O-O 3.09Å; L191-V193 HydrophobicContact CD2-CG2 4.31Å; L191-V193 HydrophobicContact CG-CG2 4.37Å
192L97.8Very high94Very high23 Ų2364.6 Ų64.612%0.1234%0.341CS..EExtended strand (participates in β ladder)trans-109.9123.8160.1174.867.4000110.2V103 V104 L105 H194 P202 L203 F206V103-L192 PolarHBondContact O-N 3.04Å; V104-L192 CarbonylContact C-O 3.59Å; V104-L192 WeakPolarHBondContact CA-O 3.35Å; V104-L192 HydrophobicContact CG1-CD2 4.44Å; V104-L192 HydrophobicContact CG2-CB 4.4Å; V104-L192 HydrophobicContact CG2-CD2 4.48Å; L105-L192 PolarHBondContact N-O 3.18Å; L192-H194 HydrophobicContact CD2-CB 4.33Å; L192-H194 HydrophobicContact CG-CB 4.31Å; L192-P202 HydrophobicContact CD1-CB 4.4Å; L192-L203 HydrophobicContact CD2-CB 4.38Å; L192-L203 HydrophobicContact CD2-CD1 3.93Å; L192-F206 HydrophobicContact CB-CB 4.31Å; L192-F206 HydrophobicContact CB-CD1 3.41Å; L192-F206 VanDerWaalsContact CB-CD1 3.41Å; L192-F206 HydrophobicContact CB-CD2 4.08Å; L192-F206 HydrophobicContact CB-CE1 3.53Å; L192-F206 HydrophobicContact CB-CE2 4.23Å; L192-F206 HydrophobicContact CB-CG 3.68Å; L192-F206 HydrophobicContact CB-CZ 3.96Å; L192-F206 HydrophobicContact CD1-CB 4.41Å; L192-F206 HydrophobicContact CD2-CB 3.94Å; L192-F206 HydrophobicContact CD2-CD1 3.84Å; L192-F206 HydrophobicContact CD2-CG 4.11Å; L192-F206 HydrophobicContact CG-CB 4.46Å; L192-F206 HydrophobicContact CG-CD1 4.22Å; L192-F206 HydrophobicContact CG-CG 4.34Å
193V97.1Very high94.4Very high45 Ų4564.6 Ų64.627%0.27334%0.34SS..EExtended strand (participates in β ladder)trans-88.4115.9163.8-178.20000107.8L105 V107 Q183 L191L105-V193 HydrophobicContact CD2-CG2 4.44Å; V107-V193 HydrophobicContact CG1-CG1 3.89Å; V107-V193 HydrophobicContact CG2-CG1 3.75Å; Q183-V193 HydrophobicContact CG-CG2 3.92Å; L191-V193 HydrophobicContact CD2-CG2 4.31Å; L191-V193 HydrophobicContact CG-CG2 4.37Å
194H97.6Very high94.7Very high3 Ų360.1 Ų60.11%0.01432%0.32CS..EExtended strand (participates in β ladder)trans-116116.3-174.3-167.9-89.4000110.5M23 V104 L105 T106 V107 L192 G199 Y217M23-H194 HydrophobicContact CE-CB 4.2Å; V104-H194 HydrophobicContact CG1-CB 4.03Å; L105-H194 PolarHBondContact O-N 3.03Å; T106-H194 VanDerWaalsContact CA-O 3.29Å; T106-H194 WeakPolarHBondContact CA-O 3.35Å; V107-H194 PolarHBondContact N-O 2.89Å; L192-H194 HydrophobicContact CD2-CB 4.33Å; L192-H194 HydrophobicContact CG-CB 4.31Å; H194-G199 PolarHBondContact NE2-O 2.93Å; H194-Y217 AromaticContact CE1-CZ 3.7Å; H194-Y217 PolarHBondContact CE1-OH 3.3Å; H194-Y217 VanDerWaalsContact CE1-OH 3.31Å
195R94.4Very high95Very high152 Ų15261.8 Ų61.857%0.57432%0.321SS*.EExtended strand (participates in β ladder)trans-86.8152.3175.1-56.9179176-85.9-2.6109.5V107 A197 D198V107-R195 HydrophobicContact CG2-CG 3.73Å; R195-A197 PolarHBondContact O-N 2.95Å; R195-D198 PolarHBondContact N-OD2 3.19Å; R195-D198 VanDerWaalsContact O-CB 3.28Å; R195-D198 WeakPolarHBondContact O-CB 3.41Å; R195-D198 PolarHBondContact O-N 3.46Å
196F81Confident95.3Very high85 Ų8558.4 Ų58.437%0.37330%0.301SS..THydrogen-bonded Turntrans-51.5-29.3-179.4-171.6-101.7000115K219F196-K219 HydrophobicContact CZ-CG 4.46Å
197A86.7Confident95.5Very high95 Ų9558.5 Ų58.579%0.78530%0.301SS*.THydrogen-bonded Turntrans-88.5-9.1-178.900000114.8R195 G199R195-A197 PolarHBondContact O-N 2.95Å; A197-G199 VanDerWaalsContact C-N 3.34Å; A197-G199 PolarHBondContact O-N 3.28Å
198D95.6Very high95.7Very high63 Ų6362 Ų6234%0.33732%0.317SS..  trans-70.5-28.1-167.9-74.4-2.6000113.5R195 P202R195-D198 PolarHBondContact N-OD2 3.19Å; R195-D198 VanDerWaalsContact O-CB 3.28Å; R195-D198 WeakPolarHBondContact O-CB 3.41Å; R195-D198 PolarHBondContact O-N 3.46Å; D198-P202 HydrophobicContact CB-CG 3.72Å; D198-P202 VanDerWaalsContact O-CD 3.31Å; D198-P202 WeakPolarHBondContact O-CD 3.35Å
199G96.4Very high96Very high15 Ų1559.7 Ų59.716%0.15530%0.298CS..  trans66.5-152.8175.700000114.4H194 A197 Y217H194-G199 PolarHBondContact NE2-O 2.93Å; A197-G199 VanDerWaalsContact C-N 3.34Å; A197-G199 PolarHBondContact O-N 3.28Å; G199-Y217 VanDerWaalsContact C-CD2 3.49Å
200W98.3Very high96.1Very high22 Ų2260.1 Ų60.18%0.08331%0.305CS..Hα-helixtrans-72.5-41.4-172.9-73.7124.3000114.3A26 I29 I30 L203 C204 I211 P212 V215 Y217A26-W200 HydrophobicContact CB-CH2 3.8Å; A26-W200 HydrophobicContact CB-CZ3 3.7Å; I29-W200 HydrophobicContact CB-CH2 4.02Å; I29-W200 HydrophobicContact CD1-CH2 4.09Å; I29-W200 HydrophobicContact CD1-CZ2 4.15Å; I29-W200 HydrophobicContact CG2-CH2 3.9Å; I29-W200 HydrophobicContact CG2-CZ2 4.25Å; I30-W200 HydrophobicContact CD1-CE3 4.31Å; I30-W200 HydrophobicContact CD1-CZ3 3.75Å; I30-W200 HydrophobicContact CG1-CZ3 3.82Å; W200-L203 HydrophobicContact CE3-CD2 4.49Å; W200-L203 HydrophobicContact CZ3-CD2 4.49Å; W200-L203 PolarHBondContact O-N 3.39Å; W200-L203 VanDerWaalsContact O-N 3.15Å; W200-C204 WeakPolarHBondContact O-CB 3.02Å; W200-C204 PolarHBondContact O-N 3.27Å; W200-I211 HydrophobicContact CB-CG1 4.32Å; W200-I211 HydrophobicContact CB-CG2 3.81Å; W200-I211 HydrophobicContact CG-CG2 4.04Å; W200-P212 HydrophobicContact CD2-CG 4.38Å; W200-P212 HydrophobicContact CE3-CG 4.27Å; W200-P212 HydrophobicContact CH2-CG 3.89Å; W200-P212 HydrophobicContact CZ2-CB 4.42Å; W200-P212 HydrophobicContact CZ2-CG 3.99Å; W200-P212 HydrophobicContact CZ3-CG 4.04Å; W200-V215 HydrophobicContact CZ2-CG1 4.41Å; W200-V215 PolarHBondContact NE1-O 2.93Å; W200-Y217 AromaticContact CD2-CD2 3.68Å; W200-Y217 HydrophobicContact CD2-CD2 3.68Å; W200-Y217 AromaticContact CE2-CD2 3.98Å; W200-Y217 AromaticContact CE3-CD2 3.87Å; W200-Y217 HydrophobicContact CE3-CD2 3.87Å; W200-Y217 HydrophobicContact CE3-CE2 4.29Å; W200-Y217 HydrophobicContact CG-CD2 4.02Å; W200-Y217 HydrophobicContact CZ2-CD2 4.42Å; W200-Y217 HydrophobicContact CZ3-CD2 4.31Å; W200-Y217 VanDerWaalsContact NE1-N 3.18Å
201E97.6Very high96.2Very high111 Ų11162.3 Ų62.352%0.51932%0.32SS..Hα-helixtrans-56.2-54.4-164.9-175.6-176.8162.700113.9L203 R205 I211E201-L203 VanDerWaalsContact C-N 3.33Å; E201-L203 PolarHBondContact O-N 3.24Å; E201-R205 VanDerWaalsContact O-CB 3.24Å; E201-R205 WeakPolarHBondContact O-CB 3.49Å; E201-R205 PolarHBondContact O-N 2.65Å; E201-R205 IonicContact OE1-CZ 3.8Å; E201-R205 IonicContact OE1-NH2 2.68Å; E201-R205 PolarHBondContact OE1-NH2 2.74Å; E201-I211 HydrophobicContact CB-CD1 4.3Å
202P98Very high96.2Very high36 Ų3662.6 Ų62.623%0.23432%0.323CS..Hα-helixtrans-67.4-33.4178.823.5-30.4000112.7L192 D198 F206L192-P202 HydrophobicContact CD1-CB 4.4Å; D198-P202 HydrophobicContact CB-CG 3.72Å; D198-P202 VanDerWaalsContact O-CD 3.31Å; D198-P202 WeakPolarHBondContact O-CD 3.35Å; P202-F206 WeakPolarHBondContact O-CB 3.28Å; P202-F206 PolarHBondContact O-N 3Å
203L98.4Very high96.1Very high0 Ų065.3 Ų65.30%035%0.349CS..Hα-helixtrans-66.4-53.6178.2-179.463.1000111.5M23 A26 I30 V104 L192 W200 E201 R205 F206 L207 Y217M23-L203 HydrophobicContact CE-CD1 4.24Å; M23-L203 HydrophobicContact CE-CD2 4.25Å; M23-L203 HydrophobicContact SD-CD1 4.05Å; M23-L203 HydrophobicContact SD-CD2 3.92Å; A26-L203 HydrophobicContact CB-CD2 4.05Å; I30-L203 HydrophobicContact CD1-CD2 4.11Å; I30-L203 HydrophobicContact CD1-CG 4.33Å; V104-L203 HydrophobicContact CG2-CD1 4.27Å; L192-L203 HydrophobicContact CD2-CB 4.38Å; L192-L203 HydrophobicContact CD2-CD1 3.93Å; W200-L203 HydrophobicContact CE3-CD2 4.49Å; W200-L203 HydrophobicContact CZ3-CD2 4.49Å; W200-L203 PolarHBondContact O-N 3.39Å; W200-L203 VanDerWaalsContact O-N 3.15Å; E201-L203 VanDerWaalsContact C-N 3.33Å; E201-L203 PolarHBondContact O-N 3.24Å; L203-R205 PolarHBondContact O-N 2.94Å; L203-F206 PolarHBondContact O-N 3.23Å; L203-L207 HydrophobicContact CD1-CD1 3.73Å; L203-L207 HydrophobicContact CD1-CG 4.16Å; L203-L207 HydrophobicContact CG-CD1 4Å; L203-L207 WeakPolarHBondContact O-CB 3.27Å; L203-L207 VanDerWaalsContact O-CG 3.3Å; L203-L207 WeakPolarHBondContact O-CG 3.37Å; L203-L207 PolarHBondContact O-N 3.24Å; L203-Y217 HydrophobicContact CD2-CE2 4.03Å
204C98.4Very high96Very high1 Ų171.3 Ų71.31%0.00738%0.379CS..Hα-helixtrans-63.6-42-179.3-71.20000111.7W200 F206 L207 N208 V209 I211W200-C204 WeakPolarHBondContact O-CB 3.02Å; W200-C204 PolarHBondContact O-N 3.27Å; C204-F206 PolarHBondContact O-N 3.37Å; C204-L207 PolarHBondContact O-N 3.46Å; C204-N208 PolarHBondContact O-N 3.2Å; C204-V209 HydrophobicContact CB-CG2 4.06Å; C204-V209 WeakPolarHBondContact CB-O 3.35Å; C204-V209 PolarHBondContact O-N 3.33Å; C204-V209 VanDerWaalsContact O-N 3.08Å; C204-I211 HydrophobicContact CB-CG1 3.79Å
205R98.1Very high95.9Very high162 Ų16274 Ų7461%0.61140%0.395SS*.Hα-helixtrans-58.1-49.8173.2-178.1-174.6-61.6152.56.7111.1E201 L203 L207 N208E201-R205 VanDerWaalsContact O-CB 3.24Å; E201-R205 WeakPolarHBondContact O-CB 3.49Å; E201-R205 PolarHBondContact O-N 2.65Å; E201-R205 IonicContact OE1-CZ 3.8Å; E201-R205 IonicContact OE1-NH2 2.68Å; E201-R205 PolarHBondContact OE1-NH2 2.74Å; L203-R205 PolarHBondContact O-N 2.94Å; R205-L207 VanDerWaalsContact C-N 3.29Å; R205-L207 PolarHBondContact O-N 2.85Å; R205-N208 PolarHBondContact O-N 3.26Å; R205-N208 PolarHBondContact O-OD1 3.1Å
206F98.2Very high96Very high33 Ų3371.9 Ų71.915%0.14540%0.401CS..Hα-helixtrans-62.8-37.3179.7174.5-114.8000112K102 V104 R190 L192 P202 L203 C204 N208K102-F206 HydrophobicContact CB-CE1 3.59Å; K102-F206 HydrophobicContact CB-CZ 3.73Å; K102-F206 HydrophobicContact CD-CD1 4.24Å; K102-F206 HydrophobicContact CD-CE1 3.93Å; K102-F206 HydrophobicContact CD-CE2 4.31Å; K102-F206 HydrophobicContact CD-CZ 3.95Å; K102-F206 WeakPolarHBondContact CD-O 3.39Å; K102-F206 WeakPolarHBondContact CE-O 3.44Å; K102-F206 HydrophobicContact CG-CE1 4.14Å; K102-F206 HydrophobicContact CG-CZ 3.98Å; K102-F206 PolarHBondContact NZ-O 3.49Å; V104-F206 HydrophobicContact CG2-CD1 4.37Å; V104-F206 HydrophobicContact CG2-CE1 4.07Å; R190-F206 WeakPolarHBondContact O-CZ 3.49Å; L192-F206 HydrophobicContact CB-CB 4.31Å; L192-F206 HydrophobicContact CB-CD1 3.41Å; L192-F206 VanDerWaalsContact CB-CD1 3.41Å; L192-F206 HydrophobicContact CB-CD2 4.08Å; L192-F206 HydrophobicContact CB-CE1 3.53Å; L192-F206 HydrophobicContact CB-CE2 4.23Å; L192-F206 HydrophobicContact CB-CG 3.68Å; L192-F206 HydrophobicContact CB-CZ 3.96Å; L192-F206 HydrophobicContact CD1-CB 4.41Å; L192-F206 HydrophobicContact CD2-CB 3.94Å; L192-F206 HydrophobicContact CD2-CD1 3.84Å; L192-F206 HydrophobicContact CD2-CG 4.11Å; L192-F206 HydrophobicContact CG-CB 4.46Å; L192-F206 HydrophobicContact CG-CD1 4.22Å; L192-F206 HydrophobicContact CG-CG 4.34Å; P202-F206 WeakPolarHBondContact O-CB 3.28Å; P202-F206 PolarHBondContact O-N 3Å; L203-F206 PolarHBondContact O-N 3.23Å; C204-F206 PolarHBondContact O-N 3.37Å; F206-N208 VanDerWaalsContact C-N 3.33Å
207L97.8Very high96.8Very high11 Ų1169.2 Ų69.26%0.05839%0.389CS..Hα-helixtrans-81.9-8.2179.9-64.5178.9000113.9V10 L27 I30 Y31 K102 L203 C204 R205 V209V10-L207 HydrophobicContact CG2-CD1 4.28Å; V10-L207 HydrophobicContact CG2-CD2 3.6Å; L27-L207 HydrophobicContact CD2-CD1 3.86Å; I30-L207 HydrophobicContact CD1-CD1 4Å; Y31-L207 HydrophobicContact CE2-CD1 4.31Å; K102-L207 HydrophobicContact CB-CD2 4.18Å; K102-L207 HydrophobicContact CD-CD2 3.92Å; L203-L207 HydrophobicContact CD1-CD1 3.73Å; L203-L207 HydrophobicContact CD1-CG 4.16Å; L203-L207 HydrophobicContact CG-CD1 4Å; L203-L207 WeakPolarHBondContact O-CB 3.27Å; L203-L207 VanDerWaalsContact O-CG 3.3Å; L203-L207 WeakPolarHBondContact O-CG 3.37Å; L203-L207 PolarHBondContact O-N 3.24Å; C204-L207 PolarHBondContact O-N 3.46Å; R205-L207 VanDerWaalsContact C-N 3.29Å; R205-L207 PolarHBondContact O-N 2.85Å; L207-V209 HydrophobicContact CB-CG1 4.45Å; L207-V209 HydrophobicContact CB-CG2 4.01Å
208N97.4Very high97.2Very high137 Ų13765.4 Ų65.473%0.73336%0.357SS*.THydrogen-bonded Turntrans58.247.8-173.5-58.8-40.3000112.8K102 C204 R205 F206K102-N208 PolarHBondContact NZ-ND2 2.96Å; C204-N208 PolarHBondContact O-N 3.2Å; R205-N208 PolarHBondContact O-N 3.26Å; R205-N208 PolarHBondContact O-OD1 3.1Å; F206-N208 VanDerWaalsContact C-N 3.33Å
209V97.8Very high97Very high48 Ų4868.9 Ų68.929%0.29137%0.368SS..  trans-129.9159.3177.5-60.90000110.2I30 C204 L207I30-V209 HydrophobicContact CD1-CG2 4.29Å; I30-V209 HydrophobicContact CG1-CG2 4.44Å; I30-V209 HydrophobicContact CG2-CB 4.28Å; I30-V209 HydrophobicContact CG2-CG1 4.14Å; I30-V209 HydrophobicContact CG2-CG2 3.81Å; C204-V209 HydrophobicContact CB-CG2 4.06Å; C204-V209 WeakPolarHBondContact CB-O 3.35Å; C204-V209 PolarHBondContact O-N 3.33Å; C204-V209 VanDerWaalsContact O-N 3.08Å; L207-V209 HydrophobicContact CB-CG1 4.45Å; L207-V209 HydrophobicContact CB-CG2 4.01Å
210D97.8Very high96.8Very high153 Ų15369.4 Ų69.482%0.81837%0.369SS*.PPolyproline II helixtrans-69.4151.7174.7-65.4-39.7000111.6P212D210-P212 WeakPolarHBondContact O-CD 3.24Å
211I98.2Very high96.5Very high93 Ų9369.4 Ų69.448%0.47737%0.37SS..PPolyproline II helixtrans-71.2127.7170.8-64.5174.6000108.4W200 E201 C204 A213W200-I211 HydrophobicContact CB-CG1 4.32Å; W200-I211 HydrophobicContact CB-CG2 3.81Å; W200-I211 HydrophobicContact CG-CG2 4.04Å; E201-I211 HydrophobicContact CB-CD1 4.3Å; C204-I211 HydrophobicContact CB-CG1 3.79Å; I211-A213 PolarHBondContact O-N 3.44Å
212P97.7Very high96.1Very high27 Ų2767.9 Ų67.918%0.17536%0.363CS..PPolyproline II helixtrans-56120.2177.4-28.136.6000112.6I29 I30 W200 D210 N214 V215I29-P212 HydrophobicContact CG2-CB 3.89Å; I29-P212 HydrophobicContact CG2-CG 3.7Å; I30-P212 HydrophobicContact CG1-CG 4.46Å; W200-P212 HydrophobicContact CD2-CG 4.38Å; W200-P212 HydrophobicContact CE3-CG 4.27Å; W200-P212 HydrophobicContact CH2-CG 3.89Å; W200-P212 HydrophobicContact CZ2-CB 4.42Å; W200-P212 HydrophobicContact CZ2-CG 3.99Å; W200-P212 HydrophobicContact CZ3-CG 4.04Å; D210-P212 WeakPolarHBondContact O-CD 3.24Å; P212-N214 PolarHBondContact O-N 3.36Å; P212-V215 HydrophobicContact CB-CB 4.17Å; P212-V215 HydrophobicContact CB-CG2 4.5Å
213A96Very high95.6Very high80 Ų8074.9 Ų74.966%0.66139%0.385SS*.THydrogen-bonded Turntrans-66.8132.4-178.200000111.4I211 V215I211-A213 PolarHBondContact O-N 3.44Å; A213-V215 PolarHBondContact O-N 2.94Å; A213-V215 VanDerWaalsContact O-N 3.14Å
214N94.6Very high95.2Very high171 Ų17178 Ų7891%0.91441%0.406SS*.THydrogen-bonded Turntrans59.718.7175.7-52.7-49.1000115.7P212P212-N214 PolarHBondContact O-N 3.36Å
215V96Very high94.9Very high58 Ų5879.6 Ų79.635%0.35242%0.415SS..  trans-115114.8176.5-177.80000109.3I29 W200 P212 A213I29-V215 HydrophobicContact CD1-CG1 4.03Å; W200-V215 HydrophobicContact CZ2-CG1 4.41Å; W200-V215 PolarHBondContact NE1-O 2.93Å; P212-V215 HydrophobicContact CB-CB 4.17Å; P212-V215 HydrophobicContact CB-CG2 4.5Å; A213-V215 PolarHBondContact O-N 2.94Å; A213-V215 VanDerWaalsContact O-N 3.14Å
216P95.8Very high94.6Very high108 Ų10874.2 Ų74.270%0.70140%0.398SS*.PPolyproline II helixtrans-65.8148.9175.428.2-34000110.6
217Y97Very high94.3Very high29 Ų2978.1 Ų78.111%0.11442%0.417CS..PPolyproline II helixtrans-59132.2176.2-173.8-92000110.1A26 H194 G199 W200 L203 K219A26-Y217 HydrophobicContact CB-CD2 4.36Å; A26-Y217 HydrophobicContact CB-CE2 3.67Å; H194-Y217 AromaticContact CE1-CZ 3.7Å; H194-Y217 PolarHBondContact CE1-OH 3.3Å; H194-Y217 VanDerWaalsContact CE1-OH 3.31Å; G199-Y217 VanDerWaalsContact C-CD2 3.49Å; W200-Y217 AromaticContact CD2-CD2 3.68Å; W200-Y217 HydrophobicContact CD2-CD2 3.68Å; W200-Y217 AromaticContact CE2-CD2 3.98Å; W200-Y217 AromaticContact CE3-CD2 3.87Å; W200-Y217 HydrophobicContact CE3-CD2 3.87Å; W200-Y217 HydrophobicContact CE3-CE2 4.29Å; W200-Y217 HydrophobicContact CG-CD2 4.02Å; W200-Y217 HydrophobicContact CZ2-CD2 4.42Å; W200-Y217 HydrophobicContact CZ3-CD2 4.31Å; W200-Y217 VanDerWaalsContact NE1-N 3.18Å; L203-Y217 HydrophobicContact CD2-CE2 4.03Å; Y217-K219 PolarHBondContact O-N 3.06Å
218P95.2Very high94.1Very high16 Ų1683 Ų8310%0.10444%0.438CS..PPolyproline II helixtrans-57.8130.3-176.7-27.335.9000112.8S22 K25 A26 I29S22-P218 WeakPolarHBondContact CB-O 3.3Å; S22-P218 PolarHBondContact OG-O 2.9Å; K25-P218 HydrophobicContact CB-CB 3.84Å; K25-P218 HydrophobicContact CB-CG 3.79Å; A26-P218 HydrophobicContact CB-CG 4.3Å; I29-P218 HydrophobicContact CD1-CG 3.81Å
219K92.7Very high93.9Very high135 Ų13577.5 Ų77.559%0.58741%0.408SS*.  trans-124.190171.7-70.1-177.5-177.7-179.60108S22 F196 Y217S22-K219 WeakPolarHBondContact OG-CA 3.19Å; F196-K219 HydrophobicContact CZ-CG 4.46Å; Y217-K219 PolarHBondContact O-N 3.06Å
220T91.7Very high93.6Very high27 Ų2777.9 Ų77.917%0.16641%0.413CS..  trans-127.1172.7-172.461.20000111.6L21 S22 K25 Q222 D225L21-T220 WeakPolarHBondContact CG-OG1 3.5Å; S22-T220 PolarHBondContact OG-N 3.17Å; S22-T220 VanDerWaalsContact OG-N 3.12Å; K25-T220 HydrophobicContact CD-CG2 3.72Å; T220-Q222 PolarHBondContact O-N 2.95Å; T220-D225 VanDerWaalsContact C-OD2 3.32Å; T220-D225 WeakPolarHBondContact CA-OD2 3.33Å
221N91.7Very high93.4Very high21 Ų2176 Ų7611%0.11240%0.399CS..SBendtrans61.628.1-178.8-150.3-14.1000113.1R17 L21 D225R17-N221 PolarHBondContact NH1-ND2 3.28Å; R17-N221 PolarHBondContact NH1-OD1 2.74Å; R17-N221 PolarHBondContact NH2-O 2.77Å; L21-N221 HydrophobicContact CB-CB 4.08Å; L21-N221 HydrophobicContact CD2-CB 3.78Å; N221-D225 PolarHBondContact N-OD2 3.14Å
222Q89.8Confident93.3Very high79 Ų7972.3 Ų72.337%0.36938%0.38SS..  trans-81.5172.7174.6-59.6-168-9.900110.8T220 S224 D225 L226T220-Q222 PolarHBondContact O-N 2.95Å; Q222-S224 VanDerWaalsContact C-N 3.25Å; Q222-S224 PolarHBondContact O-N 3.08Å; Q222-D225 PolarHBondContact N-OD2 3.37Å; Q222-D225 WeakPolarHBondContact O-CB 3.25Å; Q222-D225 PolarHBondContact O-N 3.18Å; Q222-L226 WeakPolarHBondContact O-CG 3.46Å; Q222-L226 PolarHBondContact O-N 2.93Å
223R87.2Confident93.1Very high184 Ų18472.8 Ų72.869%0.69438%0.382SS*.Hα-helixtrans-53.7-42.1179.2-165.6179.2-151.8178.16.1112.9L226 Q227R223-L226 PolarHBondContact O-N 2.63Å; R223-Q227 WeakPolarHBondContact O-CG 3.45Å; R223-Q227 PolarHBondContact O-N 3.38Å
224S90.5Very high92.9Very high64 Ų6476.9 Ų76.945%0.44838%0.384SS..Hα-helixtrans-63.9-38.9176.449.10000112.5Q222 Q227 K228Q222-S224 VanDerWaalsContact C-N 3.25Å; Q222-S224 PolarHBondContact O-N 3.08Å; S224-Q227 PolarHBondContact O-N 3.24Å; S224-K228 WeakPolarHBondContact O-CB 3.41Å; S224-K228 PolarHBondContact O-N 3.36Å
225D92.3Very high92.8Very high36 Ų3676.6 Ų76.619%0.19338%0.375CS..Hα-helixtrans-67.6-40.1177.2-56.9-45.6000111T220 N221 Q222 K228 L229T220-D225 VanDerWaalsContact C-OD2 3.32Å; T220-D225 WeakPolarHBondContact CA-OD2 3.33Å; N221-D225 PolarHBondContact N-OD2 3.14Å; Q222-D225 PolarHBondContact N-OD2 3.37Å; Q222-D225 WeakPolarHBondContact O-CB 3.25Å; Q222-D225 PolarHBondContact O-N 3.18Å; D225-K228 PolarHBondContact O-N 2.9Å; D225-L229 WeakPolarHBondContact O-CB 3.21Å; D225-L229 PolarHBondContact O-N 3.2Å
226L91.5Very high92.7Very high48 Ų4875 Ų7525%0.25137%0.366SS..Hα-helixtrans-65.8-39.2177-66.2172.2000112.1V120 Q222 R223 L229 S230V120-L226 HydrophobicContact CG1-CD2 4.27Å; V120-L226 HydrophobicContact CG2-CD1 3.52Å; Q222-L226 WeakPolarHBondContact O-CG 3.46Å; Q222-L226 PolarHBondContact O-N 2.93Å; R223-L226 PolarHBondContact O-N 2.63Å; L226-L229 PolarHBondContact O-N 3.21Å; L226-S230 PolarHBondContact O-N 3.15Å
227Q91.9Very high92.5Very high116 Ų11672.2 Ų72.254%0.54236%0.357SS..Hα-helixtrans-61.4-48.6172.3-74.1170.3-15.900110.8R223 S224 L229 S230 E231R223-Q227 WeakPolarHBondContact O-CG 3.45Å; R223-Q227 PolarHBondContact O-N 3.38Å; S224-Q227 PolarHBondContact O-N 3.24Å; Q227-L229 VanDerWaalsContact C-N 3.34Å; Q227-L229 PolarHBondContact O-N 2.83Å; Q227-S230 WeakPolarHBondContact O-CB 3.47Å; Q227-S230 PolarHBondContact O-N 2.94Å; Q227-S230 VanDerWaalsContact O-N 3.16Å; Q227-E231 PolarHBondContact O-N 3.23Å
228K93.5Very high92.3Very high113 Ų11372.1 Ų72.149%0.49136%0.361SS..Hα-helixtrans-61.8-40.8176.9-173.4168.8175.7-173.50112.2S224 D225 S230 E231 L232 I249S224-K228 WeakPolarHBondContact O-CB 3.41Å; S224-K228 PolarHBondContact O-N 3.36Å; D225-K228 PolarHBondContact O-N 2.9Å; K228-S230 VanDerWaalsContact C-N 3.34Å; K228-S230 PolarHBondContact O-N 3.01Å; K228-E231 PolarHBondContact O-N 2.92Å; K228-L232 HydrophobicContact CG-CD1 4.2Å; K228-L232 WeakPolarHBondContact O-CB 3.36Å; K228-L232 VanDerWaalsContact O-CG 3.29Å; K228-L232 WeakPolarHBondContact O-CG 2.97Å; K228-L232 PolarHBondContact O-N 2.78Å; K228-I249 HydrophobicContact CB-CD1 4.49Å; K228-I249 HydrophobicContact CD-CD1 3.56Å; K228-I249 HydrophobicContact CG-CD1 3.94Å
229L93Very high92.3Very high21 Ų2171.9 Ų71.911%0.1136%0.359CS..Hα-helixtrans-60.1-44.8174177.659.7000110.8D225 L226 Q227 E231 L232 L233 V242 I249D225-L229 WeakPolarHBondContact O-CB 3.21Å; D225-L229 PolarHBondContact O-N 3.2Å; L226-L229 PolarHBondContact O-N 3.21Å; Q227-L229 VanDerWaalsContact C-N 3.34Å; Q227-L229 PolarHBondContact O-N 2.83Å; L229-E231 VanDerWaalsContact C-N 3.34Å; L229-E231 PolarHBondContact O-N 3.37Å; L229-L232 PolarHBondContact O-N 3.45Å; L229-L233 HydrophobicContact CD1-CD1 4.2Å; L229-L233 HydrophobicContact CD1-CG 4.12Å; L229-L233 HydrophobicContact CG-CD1 4.01Å; L229-L233 HydrophobicContact CG-CG 4.4Å; L229-L233 WeakPolarHBondContact O-CB 3.5Å; L229-L233 VanDerWaalsContact O-CG 3.28Å; L229-L233 WeakPolarHBondContact O-CG 3.48Å; L229-L233 PolarHBondContact O-N 3Å; L229-V242 HydrophobicContact CD1-CG1 3.86Å; L229-I249 HydrophobicContact CB-CG2 4.01Å; L229-I249 HydrophobicContact CD1-CG2 4.07Å
230S91.9Very high92.3Very high57 Ų5769.3 Ų69.340%0.39935%0.349SS..Hα-helixtrans-59-43.4175.8-172.30000112.4L226 Q227 K228 K234L226-S230 PolarHBondContact O-N 3.15Å; Q227-S230 WeakPolarHBondContact O-CB 3.47Å; Q227-S230 PolarHBondContact O-N 2.94Å; Q227-S230 VanDerWaalsContact O-N 3.16Å; K228-S230 VanDerWaalsContact C-N 3.34Å; K228-S230 PolarHBondContact O-N 3.01Å; S230-K234 WeakPolarHBondContact O-CG 3.43Å; S230-K234 PolarHBondContact O-N 2.88Å
231E93.9Very high92.5Very high112 Ų11270.8 Ų70.852%0.52335%0.354SS..Hα-helixtrans-65.2-41.7176.1-69.6177.3-177.100112.7Q227 K228 L229 K234 K235Q227-E231 PolarHBondContact O-N 3.23Å; K228-E231 PolarHBondContact O-N 2.92Å; L229-E231 VanDerWaalsContact C-N 3.34Å; L229-E231 PolarHBondContact O-N 3.37Å; E231-K234 PolarHBondContact O-N 3.45Å; E231-K235 WeakPolarHBondContact O-CG 3.35Å; E231-K235 PolarHBondContact O-N 3.08Å
232L94.7Very high92.6Very high16 Ų1669.8 Ų69.88%0.08435%0.348CS..Hα-helixtrans-67.9-39.6177.9-71175.1000111.7K228 L229 K234 K235 C236 V242 H246 I249K228-L232 HydrophobicContact CG-CD1 4.2Å; K228-L232 WeakPolarHBondContact O-CB 3.36Å; K228-L232 VanDerWaalsContact O-CG 3.29Å; K228-L232 WeakPolarHBondContact O-CG 2.97Å; K228-L232 PolarHBondContact O-N 2.78Å; L229-L232 PolarHBondContact O-N 3.45Å; L232-K234 VanDerWaalsContact C-N 3.3Å; L232-K234 PolarHBondContact O-N 3.09Å; L232-K235 CarbonylContact O-C 3.58Å; L232-K235 PolarHBondContact O-N 3.04Å; L232-C236 WeakPolarHBondContact O-CB 3.33Å; L232-C236 PolarHBondContact O-N 3.44Å; L232-C236 PolarHBondContact O-SG 3.45Å; L232-V242 HydrophobicContact CB-CG1 4.03Å; L232-V242 HydrophobicContact CB-CG2 3.86Å; L232-V242 HydrophobicContact CD1-CG1 4.08Å; L232-H246 HydrophobicContact CD1-CB 4Å; L232-I249 HydrophobicContact CD1-CG1 3.87Å
233L93.6Very high92.8Very high38 Ų3867 Ų6720%0.19934%0.339CS..Hα-helixtrans-59.3-40.7175.2-76.7169.7000111.8A140 L229 K235 G237 I239 V242A140-L233 HydrophobicContact CB-CD1 4.05Å; A140-L233 HydrophobicContact CB-CD2 3.69Å; A140-L233 HydrophobicContact CB-CG 4.47Å; L229-L233 HydrophobicContact CD1-CD1 4.2Å; L229-L233 HydrophobicContact CD1-CG 4.12Å; L229-L233 HydrophobicContact CG-CD1 4.01Å; L229-L233 HydrophobicContact CG-CG 4.4Å; L229-L233 WeakPolarHBondContact O-CB 3.5Å; L229-L233 VanDerWaalsContact O-CG 3.28Å; L229-L233 WeakPolarHBondContact O-CG 3.48Å; L229-L233 PolarHBondContact O-N 3Å; L233-K235 PolarHBondContact O-N 3.24Å; L233-G237 WeakPolarHBondContact O-CA 3.38Å; L233-G237 PolarHBondContact O-N 3.43Å; L233-I239 HydrophobicContact CD2-CB 3.97Å; L233-V242 HydrophobicContact CD2-CG2 3.97Å; L233-V242 HydrophobicContact CG-CG2 4.26Å
234K91.5Very high93.1Very high165 Ų16565.8 Ų65.872%0.71733%0.334SS*.Hα-helixtrans-61.9-31.5174.1-68.9172.2-174175.60112.9S230 E231 L232S230-K234 WeakPolarHBondContact O-CG 3.43Å; S230-K234 PolarHBondContact O-N 2.88Å; E231-K234 PolarHBondContact O-N 3.45Å; L232-K234 VanDerWaalsContact C-N 3.3Å; L232-K234 PolarHBondContact O-N 3.09Å
235K93.5Very high93.3Very high166 Ų16667.6 Ų67.672%0.72233%0.334SS*.Hα-helixtrans-87.1-36.5-179.3-68.8175.2-179.2174.50113.2E231 L232 L233E231-K235 WeakPolarHBondContact O-CG 3.35Å; E231-K235 PolarHBondContact O-N 3.08Å; L232-K235 CarbonylContact O-C 3.58Å; L232-K235 PolarHBondContact O-N 3.04Å; L233-K235 PolarHBondContact O-N 3.24Å
236C92.8Very high93.3Very high23 Ų2369.3 Ų69.316%0.15534%0.341CS..Hα-helixtrans-96.5-20.6-172.1-64.10000113.5L232 S238 E241 V242L232-C236 WeakPolarHBondContact O-CB 3.33Å; L232-C236 PolarHBondContact O-N 3.44Å; L232-C236 PolarHBondContact O-SG 3.45Å; C236-S238 PolarHBondContact O-N 2.91Å; C236-E241 HydrophobicContact CB-CB 3.93Å; C236-V242 HydrophobicContact CB-CG2 3.69Å
237G92Very high93Very high51 Ų5171.5 Ų71.553%0.52636%0.358SS..SBendtrans83-22.7176.500000115.1L233L233-G237 WeakPolarHBondContact O-CA 3.38Å; L233-G237 PolarHBondContact O-N 3.43Å
238S93.5Very high92.7Very high26 Ų2668.8 Ų68.818%0.18236%0.361CS..SBendtrans-148.6159.217473.20000112.2A140 C236 E240 E241 V242A140-S238 WeakPolarHBondContact O-CA 3.47Å; C236-S238 PolarHBondContact O-N 2.91Å; S238-E240 VanDerWaalsContact C-N 3.3Å; S238-E241 PolarHBondContact O-N 3.24Å; S238-E241 PolarHBondContact OG-N 2.87Å; S238-V242 WeakPolarHBondContact O-CG2 3.23Å; S238-V242 PolarHBondContact O-N 3.09Å; S238-V242 VanDerWaalsContact O-N 3.12Å
239I94.1Very high92.2Very high12 Ų1264.4 Ų64.46%0.06234%0.343CS..Hα-helixtrans-67.2-31.8176.1-168.4164.3000112.3F39 V42 T43 A140 L233 V242 A243 I250F39-I239 HydrophobicContact CD1-CD1 4.29Å; F39-I239 HydrophobicContact CE1-CD1 4.12Å; V42-I239 HydrophobicContact CB-CD1 4.27Å; V42-I239 HydrophobicContact CB-CG2 4.04Å; V42-I239 HydrophobicContact CG2-CD1 3.63Å; V42-I239 HydrophobicContact CG2-CG1 4.4Å; V42-I239 HydrophobicContact CG2-CG2 4.4Å; V42-I239 WeakPolarHBondContact O-CG2 3.32Å; T43-I239 HydrophobicContact CG2-CG1 4.3Å; A140-I239 HydrophobicContact CB-CB 4.48Å; A140-I239 WeakPolarHBondContact O-CG2 3.5Å; A140-I239 PolarHBondContact O-N 3.5Å; L233-I239 HydrophobicContact CD2-CB 3.97Å; I239-V242 PolarHBondContact O-N 2.66Å; I239-A243 WeakPolarHBondContact O-CB 3.4Å; I239-A243 PolarHBondContact O-N 2.64Å; I239-I250 HydrophobicContact CD1-CD1 4.39Å; I239-I250 HydrophobicContact CG1-CD1 3.72Å
240E93.8Very high91.7Very high81 Ų8164.3 Ų64.338%0.37934%0.342SS..Hα-helixtrans-62.3-44.7173.9-62.5-177.3167.700111.2V42 Q46 S238 V242 A243 R244V42-E240 WeakPolarHBondContact O-CG 3.48Å; Q46-E240 PolarHBondContact NE2-OE1 3.38Å; S238-E240 VanDerWaalsContact C-N 3.3Å; E240-V242 VanDerWaalsContact C-N 3.33Å; E240-V242 PolarHBondContact O-N 3.27Å; E240-A243 WeakPolarHBondContact O-CB 3.42Å; E240-A243 PolarHBondContact O-N 2.75Å; E240-R244 WeakPolarHBondContact O-CB 3.47Å; E240-R244 PolarHBondContact O-N 2.78Å
241E94.8Very high91.7Very high57 Ų5764.7 Ų64.727%0.26634%0.339SS..Hα-helixtrans-67.5-34176.4-81.2-66.611100112.3C236 S238 R244 K245C236-E241 HydrophobicContact CB-CB 3.93Å; S238-E241 PolarHBondContact O-N 3.24Å; S238-E241 PolarHBondContact OG-N 2.87Å; E241-R244 IonicContact OE1-CZ 3.51Å; E241-R244 IonicContact OE1-NE 3.2Å; E241-R244 PolarHBondContact OE1-NE 2.6Å; E241-R244 IonicContact OE1-NH2 2.83Å; E241-R244 PolarHBondContact OE1-NH2 2.99Å; E241-R244 IonicContact OE2-CZ 3.2Å; E241-R244 IonicContact OE2-NE 2.58Å; E241-R244 PolarHBondContact OE2-NE 2.91Å; E241-R244 IonicContact OE2-NH2 2.92Å; E241-R244 PolarHBondContact OE2-NH2 3.12Å; E241-K245 WeakPolarHBondContact O-CB 3.3Å; E241-K245 WeakPolarHBondContact O-CG 3.1Å; E241-K245 PolarHBondContact O-N 2.96Å; E241-K245 VanDerWaalsContact OE2-CE 3.23Å; E241-K245 WeakPolarHBondContact OE2-CE 3.27Å; E241-K245 IonicContact OE2-NZ 2.78Å; E241-K245 PolarHBondContact OE2-NZ 2.83Å
242V95Very high91.6Very high0 Ų062.2 Ų62.20%033%0.33CS..Hα-helixtrans-64.7-45.7171.3176.70000110.6L229 L232 L233 C236 S238 I239 E240 R244 K245 H246 I250L229-V242 HydrophobicContact CD1-CG1 3.86Å; L232-V242 HydrophobicContact CB-CG1 4.03Å; L232-V242 HydrophobicContact CB-CG2 3.86Å; L232-V242 HydrophobicContact CD1-CG1 4.08Å; L233-V242 HydrophobicContact CD2-CG2 3.97Å; L233-V242 HydrophobicContact CG-CG2 4.26Å; C236-V242 HydrophobicContact CB-CG2 3.69Å; S238-V242 WeakPolarHBondContact O-CG2 3.23Å; S238-V242 PolarHBondContact O-N 3.09Å; S238-V242 VanDerWaalsContact O-N 3.12Å; I239-V242 PolarHBondContact O-N 2.66Å; E240-V242 VanDerWaalsContact C-N 3.33Å; E240-V242 PolarHBondContact O-N 3.27Å; V242-R244 VanDerWaalsContact C-N 3.28Å; V242-R244 PolarHBondContact O-N 3.24Å; V242-K245 PolarHBondContact O-N 3.25Å; V242-H246 HydrophobicContact CG1-CB 4.39Å; V242-H246 CarbonylContact O-C 3.57Å; V242-H246 WeakPolarHBondContact O-CA 3.42Å; V242-H246 WeakPolarHBondContact O-CB 3.37Å; V242-H246 PolarHBondContact O-N 2.98Å; V242-I250 HydrophobicContact CG1-CD1 4.28Å
243A93.8Very high91.4Very high21 Ų2164.7 Ų64.717%0.17434%0.343CS..Hα-helixtrans-58.4-42.8177.900000111.6T43 I239 E240 P247 I250T43-A243 HydrophobicContact CG2-CB 3.57Å; I239-A243 WeakPolarHBondContact O-CB 3.4Å; I239-A243 PolarHBondContact O-N 2.64Å; E240-A243 WeakPolarHBondContact O-CB 3.42Å; E240-A243 PolarHBondContact O-N 2.75Å; A243-P247 WeakPolarHBondContact O-CA 3.48Å; A243-I250 HydrophobicContact CB-CD1 3.76Å
244R93.6Very high91.3Very high159 Ų15966.3 Ų66.360%0.635%0.352SS*.Hα-helixtrans-66.7-43179.4-169.6-176.766.580-7.6113E240 E241 V242E240-R244 WeakPolarHBondContact O-CB 3.47Å; E240-R244 PolarHBondContact O-N 2.78Å; E241-R244 IonicContact OE1-CZ 3.51Å; E241-R244 IonicContact OE1-NE 3.2Å; E241-R244 PolarHBondContact OE1-NE 2.6Å; E241-R244 IonicContact OE1-NH2 2.83Å; E241-R244 PolarHBondContact OE1-NH2 2.99Å; E241-R244 IonicContact OE2-CZ 3.2Å; E241-R244 IonicContact OE2-NE 2.58Å; E241-R244 PolarHBondContact OE2-NE 2.91Å; E241-R244 IonicContact OE2-NH2 2.92Å; E241-R244 PolarHBondContact OE2-NH2 3.12Å; V242-R244 VanDerWaalsContact C-N 3.28Å; V242-R244 PolarHBondContact O-N 3.24Å
245K94Very high91.3Very high101 Ų10160.1 Ų60.144%0.43933%0.329SS..Hα-helixtrans-87.8-27.4-175.8-68.7176.9-177.3165.70113.7E241 V242E241-K245 WeakPolarHBondContact O-CB 3.3Å; E241-K245 WeakPolarHBondContact O-CG 3.1Å; E241-K245 PolarHBondContact O-N 2.96Å; E241-K245 VanDerWaalsContact OE2-CE 3.23Å; E241-K245 WeakPolarHBondContact OE2-CE 3.27Å; E241-K245 IonicContact OE2-NZ 2.78Å; E241-K245 PolarHBondContact OE2-NZ 2.83Å; V242-K245 PolarHBondContact O-N 3.25Å
246H92Very high91.1Very high73 Ų7353.1 Ų53.134%0.33830%0.303SS..  trans-137.960.3-171.6-57.1-70.3000111.6L232 V242 G248 I249L232-H246 HydrophobicContact CD1-CB 4Å; V242-H246 HydrophobicContact CG1-CB 4.39Å; V242-H246 CarbonylContact O-C 3.57Å; V242-H246 WeakPolarHBondContact O-CA 3.42Å; V242-H246 WeakPolarHBondContact O-CB 3.37Å; V242-H246 PolarHBondContact O-N 2.98Å; H246-G248 PolarHBondContact O-N 3.15Å; H246-I249 HydrophobicContact CB-CG1 4.2Å; H246-I249 PolarHBondContact O-N 3.37Å; H246-I249 VanDerWaalsContact O-N 3.07Å
247P86.9Confident91Very high94 Ų9455.2 Ų55.261%0.6131%0.313SS*.THydrogen-bonded Turntrans-59.6-22.8-173.223.8-35.2000113.8A243 I249 I250A243-P247 WeakPolarHBondContact O-CA 3.48Å; P247-I249 VanDerWaalsContact C-N 3.26Å; P247-I249 PolarHBondContact O-N 3.25Å; P247-I250 VanDerWaalsContact O-O 3.05Å
248G84.8Confident90.9Very high59 Ų5955.5 Ų55.561%0.60830%0.297SS*.THydrogen-bonded Turntrans-69.9-15.6178.300000115.3K25 H246K25-G248 PolarHBondContact NZ-O 3.32Å; H246-G248 PolarHBondContact O-N 3.15Å
249I83.8Confident90.7Very high20 Ų2058 Ų5810%0.10331%0.306CS..THydrogen-bonded Turntrans-81.4-37.3178.9-63.2-64.8000111.6K228 L229 L232 H246 P247K228-I249 HydrophobicContact CB-CD1 4.49Å; K228-I249 HydrophobicContact CD-CD1 3.56Å; K228-I249 HydrophobicContact CG-CD1 3.94Å; L229-I249 HydrophobicContact CB-CG2 4.01Å; L229-I249 HydrophobicContact CD1-CG2 4.07Å; L232-I249 HydrophobicContact CD1-CG1 3.87Å; H246-I249 HydrophobicContact CB-CG1 4.2Å; H246-I249 PolarHBondContact O-N 3.37Å; H246-I249 VanDerWaalsContact O-N 3.07Å; P247-I249 VanDerWaalsContact C-N 3.26Å; P247-I249 PolarHBondContact O-N 3.25Å
250I82.1Confident90.4Very high19 Ų1962.2 Ų62.210%0.09733%0.329CS..  trans-970-177.3-60.6177.3000110.4L21 K25 F39 T43 I239 V242 A243 P247L21-I250 WeakPolarHBondContact CD1-OXT 3.33Å; K25-I250 WeakPolarHBondContact CE-O 3.4Å; K25-I250 PolarHBondContact NZ-O 3.35Å; F39-I250 HydrophobicContact CB-CG2 3.6Å; F39-I250 HydrophobicContact CD1-CG2 3.48Å; F39-I250 VanDerWaalsContact CD1-CG2 3.48Å; F39-I250 HydrophobicContact CD2-CG2 4.13Å; F39-I250 HydrophobicContact CE1-CG1 4.46Å; F39-I250 HydrophobicContact CE1-CG2 4.14Å; F39-I250 HydrophobicContact CG-CG2 3.48Å; F39-I250 VanDerWaalsContact CG-CG2 3.48Å; T43-I250 HydrophobicContact CG2-CD1 3.87Å; T43-I250 HydrophobicContact CG2-CG2 3.96Å; I239-I250 HydrophobicContact CD1-CD1 4.39Å; I239-I250 HydrophobicContact CG1-CD1 3.72Å; V242-I250 HydrophobicContact CG1-CD1 4.28Å; A243-I250 HydrophobicContact CB-CD1 3.76Å; P247-I250 VanDerWaalsContact O-O 3.05Å

Retrieved 250 of 250 residues in 155 ms (Link to these results)

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