A0A5K4F8B3_SCHMA Loading...

MEG 1

AlphaFold DB , UniProt , Accession A0A5K4F8B3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 186 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
1M36.6Very low53.9Low253 Ų253135.8 Ų135.8100%1.24673%0.731SS**  0115.80-69.8170.4171.100106.1
2A43.4Very low54.9Low101 Ų101132.6 Ų132.684%0.83571%0.707SS**  cis-121.1136.3700000109.8S4A2-S4 PolarHBondContact O-N 2.69Å
3K42.9Very low56.3Low190 Ų190128.5 Ų128.583%0.82669%0.69SS**  trans-63.8119.2164.8-79.5172.6171.2177.50106.3D5K3-D5 PolarHBondContact O-N 2.97Å
4S51.6Low57.6Low111 Ų111130.4 Ų130.478%0.77669%0.689SS**  trans-71.193.2164.865.40000106.4A2 L6A2-S4 PolarHBondContact O-N 2.69Å; S4-L6 PolarHBondContact O-N 2.89Å
5D51Low59.1Low128 Ų128125.2 Ų125.268%0.68466%0.661SS**  trans-56.9108.8167.7-71.8-33.1000106.6K3 I7K3-D5 PolarHBondContact O-N 2.97Å; D5-I7 HydrophobicContact CB-CG1 4.32Å; D5-I7 PolarHBondContact O-N 2.9Å
6L55.2Low60.3Low151 Ų151123.9 Ų123.979%0.79165%0.654SS**  trans-69.479.4175-161.986000106.4S4 L8S4-L6 PolarHBondContact O-N 2.89Å; L6-L8 VanDerWaalsContact C-N 3.26Å; L6-L8 HydrophobicContact CD2-CD1 3.95Å; L6-L8 HydrophobicContact CG-CD1 4.45Å; L6-L8 PolarHBondContact O-N 2.9Å
7I57.1Low61.7Low143 Ų143120.3 Ų120.373%0.73364%0.64SS**  trans-69.292175.7-63169.4000105.8D5 T9D5-I7 HydrophobicContact CB-CG1 4.32Å; D5-I7 PolarHBondContact O-N 2.9Å; I7-T9 PolarHBondContact O-N 3.42Å; I7-T9 VanDerWaalsContact O-N 3.16Å
8L58.2Low63.1Low77 Ų77117.6 Ų117.640%0.40363%0.631SS.*  trans-56.3120.4164.9-102.685.5000107L6 Q12 V13L6-L8 VanDerWaalsContact C-N 3.26Å; L6-L8 HydrophobicContact CD2-CD1 3.95Å; L6-L8 HydrophobicContact CG-CD1 4.45Å; L6-L8 PolarHBondContact O-N 2.9Å; L8-Q12 HydrophobicContact CB-CB 4.46Å; L8-Q12 HydrophobicContact CD2-CB 3.95Å; L8-Q12 HydrophobicContact CG-CB 4.09Å; L8-V13 HydrophobicContact CB-CG2 3.93Å; L8-V13 HydrophobicContact CD2-CG2 3.95Å
9T66.3Low64.3Low67 Ų67116.7 Ų116.741%0.41163%0.625SS.*  trans-59.7146.8170.654.70000108.9I7 Y11 Q12 V13I7-T9 PolarHBondContact O-N 3.42Å; I7-T9 VanDerWaalsContact O-N 3.16Å; T9-Y11 PolarHBondContact O-N 2.87Å; T9-Q12 VanDerWaalsContact N-OE1 3.09Å; T9-Q12 WeakPolarHBondContact O-CB 3.05Å; T9-Q12 PolarHBondContact O-N 3.43Å; T9-Q12 WeakPolarHBondContact OG1-CG 3.32Å; T9-Q12 PolarHBondContact OG1-OE1 2.91Å; T9-Q12 VanDerWaalsContact OG1-OE1 3.11Å; T9-V13 PolarHBondContact O-N 3.35Å
10P64.6Low65.5Low101 Ų101115.2 Ų115.266%0.65662%0.616SS**Hα-helixtrans-53.8-31.6-178.417.2-29.3000112.1Q12 V13 F14P10-Q12 PolarHBondContact O-N 2.82Å; P10-V13 PolarHBondContact O-N 3.28Å; P10-F14 VanDerWaalsContact O-CD2 3.27Å; P10-F14 WeakPolarHBondContact O-CD2 3.43Å; P10-F14 PolarHBondContact O-N 2.7Å
11Y65.7Low66.5Low172 Ų172115.5 Ų115.568%0.67562%0.617SS**Hα-helixtrans-59.5-41.1173.6-166.4-106.6000113.5T9 F14 I15T9-Y11 PolarHBondContact O-N 2.87Å; Y11-F14 PolarHBondContact O-N 2.91Å; Y11-I15 HydrophobicContact CD1-CD1 3.43Å; Y11-I15 VanDerWaalsContact CD1-CD1 3.43Å; Y11-I15 HydrophobicContact CD2-CD1 3.48Å; Y11-I15 VanDerWaalsContact CD2-CD1 3.48Å; Y11-I15 HydrophobicContact CE1-CD1 3.04Å; Y11-I15 HydrophobicContact CE1-CG1 4.45Å; Y11-I15 HydrophobicContact CE2-CD1 3.11Å; Y11-I15 HydrophobicContact CE2-CG1 4.46Å; Y11-I15 HydrophobicContact CG-CD1 3.62Å; Y11-I15 WeakPolarHBondContact O-CB 3.23Å; Y11-I15 WeakPolarHBondContact O-CG1 2.93Å; Y11-I15 PolarHBondContact O-N 2.89Å; Y11-I15 VanDerWaalsContact OH-CD1 3.26Å; Y11-I15 WeakPolarHBondContact OH-CD1 3.12Å
12Q66.3Low69Low97 Ų97108.3 Ų108.345%0.45358%0.582SS.*Hα-helixtrans-69.9-32.7179-73.4169.4-3900112.6L8 T9 P10 F14 L16L8-Q12 HydrophobicContact CB-CB 4.46Å; L8-Q12 HydrophobicContact CD2-CB 3.95Å; L8-Q12 HydrophobicContact CG-CB 4.09Å; T9-Q12 VanDerWaalsContact N-OE1 3.09Å; T9-Q12 WeakPolarHBondContact O-CB 3.05Å; T9-Q12 PolarHBondContact O-N 3.43Å; T9-Q12 WeakPolarHBondContact OG1-CG 3.32Å; T9-Q12 PolarHBondContact OG1-OE1 2.91Å; T9-Q12 VanDerWaalsContact OG1-OE1 3.11Å; P10-Q12 PolarHBondContact O-N 2.82Å; Q12-F14 VanDerWaalsContact C-N 3.3Å; Q12-F14 PolarHBondContact O-N 3.02Å; Q12-L16 VanDerWaalsContact O-CB 3.26Å; Q12-L16 WeakPolarHBondContact O-CB 2.92Å; Q12-L16 PolarHBondContact O-N 3.17Å
13V73Confident71.1Confident80 Ų80109.8 Ų109.849%0.48557%0.57SS.*Hα-helixtrans-66.8-33177-177.80000111.5L8 T9 P10 P17L8-V13 HydrophobicContact CB-CG2 3.93Å; L8-V13 HydrophobicContact CD2-CG2 3.95Å; T9-V13 PolarHBondContact O-N 3.35Å; P10-V13 PolarHBondContact O-N 3.28Å; V13-P17 WeakPolarHBondContact O-CD 3.25Å; V13-P17 WeakPolarHBondContact O-CG 3.22Å
14F74.6Confident73Confident154 Ų154107.6 Ų107.668%0.67556%0.557SS**Hα-helixtrans-87.7-35.5179.3-78.1-74.8000113.7P10 Y11 Q12 P17 C18P10-F14 VanDerWaalsContact O-CD2 3.27Å; P10-F14 WeakPolarHBondContact O-CD2 3.43Å; P10-F14 PolarHBondContact O-N 2.7Å; Y11-F14 PolarHBondContact O-N 2.91Å; Q12-F14 VanDerWaalsContact C-N 3.3Å; Q12-F14 PolarHBondContact O-N 3.02Å; F14-P17 WeakPolarHBondContact O-CG 3.36Å; F14-C18 PolarHBondContact O-SG 3.48Å
15I79.9Confident74.6Confident53 Ų53104.9 Ų104.927%0.27254%0.538SS..Hα-helixtrans-85.2-35.6-170.7-76167000113Y11 C18 I19Y11-I15 HydrophobicContact CD1-CD1 3.43Å; Y11-I15 VanDerWaalsContact CD1-CD1 3.43Å; Y11-I15 HydrophobicContact CD2-CD1 3.48Å; Y11-I15 VanDerWaalsContact CD2-CD1 3.48Å; Y11-I15 HydrophobicContact CE1-CD1 3.04Å; Y11-I15 HydrophobicContact CE1-CG1 4.45Å; Y11-I15 HydrophobicContact CE2-CD1 3.11Å; Y11-I15 HydrophobicContact CE2-CG1 4.46Å; Y11-I15 HydrophobicContact CG-CD1 3.62Å; Y11-I15 WeakPolarHBondContact O-CB 3.23Å; Y11-I15 WeakPolarHBondContact O-CG1 2.93Å; Y11-I15 PolarHBondContact O-N 2.89Å; Y11-I15 VanDerWaalsContact OH-CD1 3.26Å; Y11-I15 WeakPolarHBondContact OH-CD1 3.12Å; I15-C18 PolarHBondContact O-N 2.79Å; I15-I19 HydrophobicContact CG2-CD1 3.6Å; I15-I19 HydrophobicContact CG2-CG1 4.12Å; I15-I19 WeakPolarHBondContact O-CG1 3.48Å; I15-I19 PolarHBondContact O-N 3.48Å
16L79.3Confident76.1Confident104 Ų104103.6 Ų103.655%0.54553%0.531SS..Hα-helixtrans-58.3-48.5178.8-158.276.6000112.4Q12 C18 I19 I20Q12-L16 VanDerWaalsContact O-CB 3.26Å; Q12-L16 WeakPolarHBondContact O-CB 2.92Å; Q12-L16 PolarHBondContact O-N 3.17Å; L16-C18 VanDerWaalsContact C-N 3.35Å; L16-C18 PolarHBondContact O-N 3.35Å; L16-I19 PolarHBondContact O-N 3.13Å; L16-I20 HydrophobicContact CG-CD1 4.26Å; L16-I20 WeakPolarHBondContact O-CD1 3.37Å; L16-I20 VanDerWaalsContact O-CG1 3.27Å; L16-I20 WeakPolarHBondContact O-CG1 3.49Å; L16-I20 PolarHBondContact O-N 3.42Å; L16-I20 VanDerWaalsContact O-N 3.1Å
17P83.8Confident77.2Confident63 Ų63100.1 Ų100.141%0.40951%0.509SS..Hα-helixtrans-66-34.1176.222.7-30.9000113V13 F14 I20 L21V13-P17 WeakPolarHBondContact O-CD 3.25Å; V13-P17 WeakPolarHBondContact O-CG 3.22Å; F14-P17 WeakPolarHBondContact O-CG 3.36Å; P17-I20 PolarHBondContact O-N 2.87Å; P17-L21 WeakPolarHBondContact O-CB 3.42Å; P17-L21 VanDerWaalsContact O-CG 3.3Å; P17-L21 WeakPolarHBondContact O-CG 3.42Å; P17-L21 PolarHBondContact O-N 2.05Å
18C86.6Confident78Confident71 Ų7198.2 Ų98.248%0.4850%0.5SS..Hα-helixtrans-63.2-44.2175.6-73.10000112.4F14 I15 L16 L21 I22F14-C18 PolarHBondContact O-SG 3.48Å; I15-C18 PolarHBondContact O-N 2.79Å; L16-C18 VanDerWaalsContact C-N 3.35Å; L16-C18 PolarHBondContact O-N 3.35Å; C18-L21 PolarHBondContact O-N 3.23Å; C18-I22 VanDerWaalsContact O-CG1 3.32Å; C18-I22 WeakPolarHBondContact O-CG1 3.11Å; C18-I22 PolarHBondContact O-N 2.8Å
19I86Confident78.7Confident101 Ų101100 Ų10052%0.51851%0.509SS..Hα-helixtrans-63.8-43.4177-66.9171.4000110.5I15 L16 L21 I22 F23I15-I19 HydrophobicContact CG2-CD1 3.6Å; I15-I19 HydrophobicContact CG2-CG1 4.12Å; I15-I19 WeakPolarHBondContact O-CG1 3.48Å; I15-I19 PolarHBondContact O-N 3.48Å; L16-I19 PolarHBondContact O-N 3.13Å; I19-L21 VanDerWaalsContact C-N 3.33Å; I19-L21 PolarHBondContact O-N 2.78Å; I19-I22 PolarHBondContact O-N 3.03Å; I19-F23 WeakPolarHBondContact O-CB 3.22Å; I19-F23 PolarHBondContact O-N 2.78Å
20I87.1Confident78.5Confident86 Ų86100.8 Ų100.844%0.44151%0.513SS..Hα-helixtrans-61.1-43.3178.1-68.1166.9000110.6L16 P17 F23 W24L16-I20 HydrophobicContact CG-CD1 4.26Å; L16-I20 WeakPolarHBondContact O-CD1 3.37Å; L16-I20 VanDerWaalsContact O-CG1 3.27Å; L16-I20 WeakPolarHBondContact O-CG1 3.49Å; L16-I20 PolarHBondContact O-N 3.42Å; L16-I20 VanDerWaalsContact O-N 3.1Å; P17-I20 PolarHBondContact O-N 2.87Å; I20-F23 PolarHBondContact O-N 2.99Å; I20-W24 WeakPolarHBondContact O-CB 3.14Å; I20-W24 VanDerWaalsContact O-CD1 3.26Å; I20-W24 PolarHBondContact O-N 2.83Å
21L87.6Confident78.1Confident123 Ų123101.5 Ų101.564%0.64451%0.506SS*.Hα-helixtrans-64.6-41.4177.8-74.6171.4000112.9P17 C18 I19 S25P17-L21 WeakPolarHBondContact O-CB 3.42Å; P17-L21 VanDerWaalsContact O-CG 3.3Å; P17-L21 WeakPolarHBondContact O-CG 3.42Å; P17-L21 PolarHBondContact O-N 2.05Å; C18-L21 PolarHBondContact O-N 3.23Å; I19-L21 VanDerWaalsContact C-N 3.33Å; I19-L21 PolarHBondContact O-N 2.78Å; L21-S25 WeakPolarHBondContact O-CB 3.13Å; L21-S25 PolarHBondContact O-N 2.89Å; L21-S25 PolarHBondContact O-OG 3.22Å
22I88.6Confident77.3Confident101 Ų101101.9 Ų101.952%0.51851%0.512SS..Hα-helixtrans-66.3-41.1176.2-66.3165.6000110.7C18 I19 S25 L26C18-I22 VanDerWaalsContact O-CG1 3.32Å; C18-I22 WeakPolarHBondContact O-CG1 3.11Å; C18-I22 PolarHBondContact O-N 2.8Å; I19-I22 PolarHBondContact O-N 3.03Å; I22-S25 WeakPolarHBondContact CA-OG 3.33Å; I22-S25 PolarHBondContact O-N 3.02Å; I22-S25 PolarHBondContact O-OG 2.92Å; I22-L26 HydrophobicContact CG2-CD1 3.98Å; I22-L26 WeakPolarHBondContact O-CB 3.37Å; I22-L26 WeakPolarHBondContact O-CG 3.46Å; I22-L26 PolarHBondContact O-N 2.97Å
23F86.9Confident76.2Confident133 Ų133101 Ų10158%0.58352%0.516SS*.Hα-helixtrans-64-45177.6-175.4-94.6000111.5I19 I20 L26 F27I19-F23 WeakPolarHBondContact O-CB 3.22Å; I19-F23 PolarHBondContact O-N 2.78Å; I20-F23 PolarHBondContact O-N 2.99Å; F23-L26 PolarHBondContact O-N 2.9Å; F23-F27 VanDerWaalsContact O-CB 3.24Å; F23-F27 WeakPolarHBondContact O-CB 3.03Å; F23-F27 PolarHBondContact O-N 2.88Å
24W83.2Confident74.6Confident143 Ų143103 Ų10354%0.54252%0.524SS..Hα-helixtrans-66.7-36177-87.1103.6000113.1I20 F27 L28I20-W24 WeakPolarHBondContact O-CB 3.14Å; I20-W24 VanDerWaalsContact O-CD1 3.26Å; I20-W24 PolarHBondContact O-N 2.83Å; W24-F27 HydrophobicContact CE3-CD1 4.29Å; W24-F27 HydrophobicContact CZ3-CD1 4.18Å; W24-F27 HydrophobicContact CZ3-CE1 4.43Å; W24-F27 PolarHBondContact O-N 2.84Å; W24-L28 WeakPolarHBondContact O-CB 3.44Å; W24-L28 VanDerWaalsContact O-CG 3.23Å; W24-L28 WeakPolarHBondContact O-CG 3.49Å; W24-L28 PolarHBondContact O-N 2.98Å
25S85.1Confident72.7Confident55 Ų5598.7 Ų98.739%0.38552%0.523SS..Hα-helixtrans-68.6-42.2176.363.20000111.9L21 I22 L28 I29L21-S25 WeakPolarHBondContact O-CB 3.13Å; L21-S25 PolarHBondContact O-N 2.89Å; L21-S25 PolarHBondContact O-OG 3.22Å; I22-S25 WeakPolarHBondContact CA-OG 3.33Å; I22-S25 PolarHBondContact O-N 3.02Å; I22-S25 PolarHBondContact O-OG 2.92Å; S25-L28 PolarHBondContact O-N 3.11Å; S25-I29 WeakPolarHBondContact O-CD1 3.32Å; S25-I29 WeakPolarHBondContact O-CG1 3.48Å; S25-I29 PolarHBondContact O-N 3.44Å
26L82.6Confident70.5Confident100 Ų10099.7 Ų99.752%0.52454%0.535SS..Hα-helixtrans-63.7-43.3172.9-73.5170000111.9I22 F23 L28 I29 V30I22-L26 HydrophobicContact CG2-CD1 3.98Å; I22-L26 WeakPolarHBondContact O-CB 3.37Å; I22-L26 WeakPolarHBondContact O-CG 3.46Å; I22-L26 PolarHBondContact O-N 2.97Å; F23-L26 PolarHBondContact O-N 2.9Å; L26-L28 VanDerWaalsContact C-N 3.35Å; L26-L28 PolarHBondContact O-N 3.01Å; L26-I29 PolarHBondContact O-N 2.82Å; L26-V30 WeakPolarHBondContact O-CG2 3.32Å; L26-V30 PolarHBondContact O-N 3.09Å
27F78.5Confident68.3Low78 Ų7896.8 Ų96.834%0.34253%0.53SS..Hα-helixtrans-59.2-46.7175.4-173-89.6000110.6F23 W24 I29 V30 F31F23-F27 VanDerWaalsContact O-CB 3.24Å; F23-F27 WeakPolarHBondContact O-CB 3.03Å; F23-F27 PolarHBondContact O-N 2.88Å; W24-F27 HydrophobicContact CE3-CD1 4.29Å; W24-F27 HydrophobicContact CZ3-CD1 4.18Å; W24-F27 HydrophobicContact CZ3-CE1 4.43Å; W24-F27 PolarHBondContact O-N 2.84Å; F27-I29 VanDerWaalsContact C-N 3.33Å; F27-I29 PolarHBondContact O-N 2.88Å; F27-V30 PolarHBondContact O-N 2.98Å; F27-F31 AromaticContact CD1-CD2 3.74Å; F27-F31 HydrophobicContact CD1-CD2 3.74Å; F27-F31 HydrophobicContact CD1-CE2 4.34Å; F27-F31 HydrophobicContact CD1-CG 4.39Å; F27-F31 AromaticContact CD2-CD2 3.6Å; F27-F31 HydrophobicContact CD2-CD2 3.6Å; F27-F31 AromaticContact CD2-CE2 3.43Å; F27-F31 HydrophobicContact CD2-CE2 3.43Å; F27-F31 VanDerWaalsContact CD2-CE2 3.43Å; F27-F31 HydrophobicContact CE1-CB 4.45Å; F27-F31 AromaticContact CE1-CD2 3.56Å; F27-F31 HydrophobicContact CE1-CD2 3.56Å; F27-F31 AromaticContact CE1-CE2 3.99Å; F27-F31 HydrophobicContact CE1-CE2 3.99Å; F27-F31 AromaticContact CE1-CG 3.99Å; F27-F31 HydrophobicContact CE1-CG 3.99Å; F27-F31 AromaticContact CE2-CD2 3.44Å; F27-F31 HydrophobicContact CE2-CD2 3.44Å; F27-F31 VanDerWaalsContact CE2-CD2 3.44Å; F27-F31 AromaticContact CE2-CE2 3Å; F27-F31 HydrophobicContact CE2-CE2 3Å; F27-F31 HydrophobicContact CE2-CG 4.46Å; F27-F31 AromaticContact CE2-CZ 3.74Å; F27-F31 HydrophobicContact CE2-CZ 3.74Å; F27-F31 AromaticContact CG-CD2 3.75Å; F27-F31 HydrophobicContact CG-CD2 3.75Å; F27-F31 HydrophobicContact CG-CE2 4.09Å; F27-F31 HydrophobicContact CZ-CD1 4.48Å; F27-F31 AromaticContact CZ-CD2 3.41Å; F27-F31 HydrophobicContact CZ-CD2 3.41Å; F27-F31 VanDerWaalsContact CZ-CD2 3.41Å; F27-F31 HydrophobicContact CZ-CE1 4.38Å; F27-F31 AromaticContact CZ-CE2 3.31Å; F27-F31 HydrophobicContact CZ-CE2 3.31Å; F27-F31 HydrophobicContact CZ-CG 4.03Å; F27-F31 AromaticContact CZ-CZ 3.82Å; F27-F31 HydrophobicContact CZ-CZ 3.82Å; F27-F31 WeakPolarHBondContact O-CB 3.38Å; F27-F31 VanDerWaalsContact O-CD2 3.29Å; F27-F31 WeakPolarHBondContact O-CD2 3.39Å; F27-F31 PolarHBondContact O-N 3.15Å
28L74.8Confident65.9Low103 Ų10396.6 Ų96.654%0.53953%0.528SS..Hα-helixtrans-64.7-34.6175.9-71.6173.1000112.5W24 S25 L26 K32W24-L28 WeakPolarHBondContact O-CB 3.44Å; W24-L28 VanDerWaalsContact O-CG 3.23Å; W24-L28 WeakPolarHBondContact O-CG 3.49Å; W24-L28 PolarHBondContact O-N 2.98Å; S25-L28 PolarHBondContact O-N 3.11Å; L26-L28 VanDerWaalsContact C-N 3.35Å; L26-L28 PolarHBondContact O-N 3.01Å; L28-K32 WeakPolarHBondContact O-CA 3.46Å; L28-K32 WeakPolarHBondContact O-CB 3.43Å; L28-K32 PolarHBondContact O-N 2.9Å
29I72.2Confident63.4Low114 Ų11498.6 Ų98.659%0.58553%0.525SS*.Hα-helixtrans-66.7-45176.1-69.9161.3000111S25 L26 F27 S33S25-I29 WeakPolarHBondContact O-CD1 3.32Å; S25-I29 WeakPolarHBondContact O-CG1 3.48Å; S25-I29 PolarHBondContact O-N 3.44Å; L26-I29 PolarHBondContact O-N 2.82Å; F27-I29 VanDerWaalsContact C-N 3.33Å; F27-I29 PolarHBondContact O-N 2.88Å; I29-S33 PolarHBondContact O-N 3.26Å
30V62.8Low60.9Low84 Ų84101 Ų10151%0.50953%0.528SS..Hα-helixtrans-67.7-48.2179.2175.30000110.7L26 F27 S33 D34L26-V30 WeakPolarHBondContact O-CG2 3.32Å; L26-V30 PolarHBondContact O-N 3.09Å; F27-V30 PolarHBondContact O-N 2.98Å; V30-S33 VanDerWaalsContact O-CB 3.32Å; V30-S33 WeakPolarHBondContact O-CB 2.92Å; V30-S33 PolarHBondContact O-N 2.82Å; V30-D34 PolarHBondContact O-N 3.41Å
31F54.9Low58.4Low116 Ų116106 Ų10651%0.50954%0.541SS..Hα-helixtrans-78.3-22.5-178.1-77.8-85.7000113.8F27 S33 D34 G35F27-F31 AromaticContact CD1-CD2 3.74Å; F27-F31 HydrophobicContact CD1-CD2 3.74Å; F27-F31 HydrophobicContact CD1-CE2 4.34Å; F27-F31 HydrophobicContact CD1-CG 4.39Å; F27-F31 AromaticContact CD2-CD2 3.6Å; F27-F31 HydrophobicContact CD2-CD2 3.6Å; F27-F31 AromaticContact CD2-CE2 3.43Å; F27-F31 HydrophobicContact CD2-CE2 3.43Å; F27-F31 VanDerWaalsContact CD2-CE2 3.43Å; F27-F31 HydrophobicContact CE1-CB 4.45Å; F27-F31 AromaticContact CE1-CD2 3.56Å; F27-F31 HydrophobicContact CE1-CD2 3.56Å; F27-F31 AromaticContact CE1-CE2 3.99Å; F27-F31 HydrophobicContact CE1-CE2 3.99Å; F27-F31 AromaticContact CE1-CG 3.99Å; F27-F31 HydrophobicContact CE1-CG 3.99Å; F27-F31 AromaticContact CE2-CD2 3.44Å; F27-F31 HydrophobicContact CE2-CD2 3.44Å; F27-F31 VanDerWaalsContact CE2-CD2 3.44Å; F27-F31 AromaticContact CE2-CE2 3Å; F27-F31 HydrophobicContact CE2-CE2 3Å; F27-F31 HydrophobicContact CE2-CG 4.46Å; F27-F31 AromaticContact CE2-CZ 3.74Å; F27-F31 HydrophobicContact CE2-CZ 3.74Å; F27-F31 AromaticContact CG-CD2 3.75Å; F27-F31 HydrophobicContact CG-CD2 3.75Å; F27-F31 HydrophobicContact CG-CE2 4.09Å; F27-F31 HydrophobicContact CZ-CD1 4.48Å; F27-F31 AromaticContact CZ-CD2 3.41Å; F27-F31 HydrophobicContact CZ-CD2 3.41Å; F27-F31 VanDerWaalsContact CZ-CD2 3.41Å; F27-F31 HydrophobicContact CZ-CE1 4.38Å; F27-F31 AromaticContact CZ-CE2 3.31Å; F27-F31 HydrophobicContact CZ-CE2 3.31Å; F27-F31 HydrophobicContact CZ-CG 4.03Å; F27-F31 AromaticContact CZ-CZ 3.82Å; F27-F31 HydrophobicContact CZ-CZ 3.82Å; F27-F31 WeakPolarHBondContact O-CB 3.38Å; F27-F31 VanDerWaalsContact O-CD2 3.29Å; F27-F31 WeakPolarHBondContact O-CD2 3.39Å; F27-F31 PolarHBondContact O-N 3.15Å; F31-S33 VanDerWaalsContact C-N 3.29Å; F31-D34 PolarHBondContact O-N 3.4Å; F31-G35 PolarHBondContact O-N 2.67Å; F31-G35 VanDerWaalsContact O-N 3.17Å
32K50.2Low56Low181 Ų181104.3 Ų104.379%0.78753%0.533SS*.Hα-helixtrans-76.7-19.4169.8-169.1165.6-179.4155.70112.1L28L28-K32 WeakPolarHBondContact O-CA 3.46Å; L28-K32 WeakPolarHBondContact O-CB 3.43Å; L28-K32 PolarHBondContact O-N 2.9Å
33S42.5Very low53.6Low79 Ų79101 Ų10155%0.55252%0.516SS*.Hα-helixtrans-72.8-33169.6-1770000112.1I29 V30 F31 S36I29-S33 PolarHBondContact O-N 3.26Å; V30-S33 VanDerWaalsContact O-CB 3.32Å; V30-S33 WeakPolarHBondContact O-CB 2.92Å; V30-S33 PolarHBondContact O-N 2.82Å; F31-S33 VanDerWaalsContact C-N 3.29Å; S33-S36 PolarHBondContact O-OG 3.4Å
34D39.3Very low51.1Low121 Ų12198.3 Ų98.365%0.64751%0.507SS*.THydrogen-bonded Turntrans-97.11-179-63.4-20.7000113.4V30 F31 S36V30-D34 PolarHBondContact O-N 3.41Å; F31-D34 PolarHBondContact O-N 3.4Å; D34-S36 VanDerWaalsContact C-N 3.31Å
35G34Very low49.1Very low64 Ų6492.8 Ų92.866%0.6649%0.487SS*.THydrogen-bonded Turntrans-81.6-3.817100000114.3F31 G37F31-G35 PolarHBondContact O-N 2.67Å; F31-G35 VanDerWaalsContact O-N 3.17Å; G35-G37 PolarHBondContact O-N 3Å
36S35.3Very low46.5Very low74 Ų7496 Ų9652%0.51749%0.494SS..SBendtrans-74.988.8156.460.20000106.8S33 D34 T38S33-S36 PolarHBondContact O-OG 3.4Å; D34-S36 VanDerWaalsContact C-N 3.31Å; S36-T38 PolarHBondContact O-N 2.8Å
37G32.8Very low44.4Very low43 Ų4393.9 Ų93.944%0.44348%0.482SS..  trans-42.4118.1146.800000105.5G35 W39G35-G37 PolarHBondContact O-N 3Å; G37-W39 PolarHBondContact O-N 3.19Å
38T32.2Very low42.1Very low58 Ų5894 Ų9436%0.35649%0.486SS..  trans-70.364.1-168.540.60000109.1S36 R40 E63S36-T38 PolarHBondContact O-N 2.8Å; T38-R40 PolarHBondContact O-N 2.83Å; T38-E63 WeakPolarHBondContact CB-OE1 3.49Å; T38-E63 WeakPolarHBondContact OG1-CG 3.33Å; T38-E63 PolarHBondContact OG1-OE1 2.76Å; T38-E63 PolarHBondContact OG1-OE2 3.43Å
39W34.3Very low40Very low114 Ų11492.1 Ų92.143%0.43248%0.479SS..  trans-67.192.3165.6-57.4105.3000105.8G37 R41 V60 N62 F171G37-W39 PolarHBondContact O-N 3.19Å; W39-R41 PolarHBondContact O-N 3Å; W39-V60 HydrophobicContact CE3-CG1 3.61Å; W39-V60 HydrophobicContact CZ3-CG1 3.89Å; W39-N62 HydrophobicContact CE3-CB 4.48Å; W39-N62 HydrophobicContact CH2-CB 4.06Å; W39-N62 WeakPolarHBondContact CH2-ND2 3.43Å; W39-N62 HydrophobicContact CZ3-CB 3.72Å; W39-F171 HydrophobicContact CB-CE2 4.15Å; W39-F171 HydrophobicContact CB-CZ 4.09Å
40R33.5Very low37.8Very low150 Ų15095.5 Ų95.557%0.56649%0.492SS*.  trans-65.3108.4165.9-92.8-170.9-174.3162.85.9107.3T38 H116T38-R40 PolarHBondContact O-N 2.83Å; R40-H116 PolarHBondContact NH1-CD2 2.86Å; R40-H116 PolarHBondContact NH2-CD2 2.82Å; R40-H116 PolarHBondContact NH2-CE1 3.46Å; R40-H116 VanDerWaalsContact NH2-CG 3.33Å; R40-H116 PolarHBondContact NH2-ND1 3.05Å; R40-H116 VanDerWaalsContact NH2-ND1 3.1Å; R40-H116 PolarHBondContact NH2-NE2 2.84Å; R40-H116 VanDerWaalsContact NH2-NE2 3.16Å
41R34.4Very low36.2Very low192 Ų19294.8 Ų94.873%0.72550%0.502SS*.  trans-60.9130.9172.1-77.6-163.2-158.1-175.65.2110.9W39 F171W39-R41 PolarHBondContact O-N 3Å; R41-F171 HydrophobicContact CG-CE1 3.66Å; R41-F171 HydrophobicContact CG-CZ 3.92Å
42D38Very low35Very low88 Ų8897.9 Ų97.947%0.47152%0.515SS..  trans72.286.4138.3-53.6-14.7000115.9W58D42-W58 HydrophobicContact CB-CZ3 3.84Å
43I37.5Very low34.3Very low32 Ų3294.8 Ų94.816%0.16450%0.504CS..  trans-104.2109.2149.9-44.3176.3000108W45 F61 F114 I119I43-W45 HydrophobicContact CB-CZ2 4.28Å; I43-W45 VanDerWaalsContact CB-NE1 3.3Å; I43-W45 HydrophobicContact CD1-CZ2 4.04Å; I43-W45 HydrophobicContact CG2-CD2 4.11Å; I43-W45 HydrophobicContact CG2-CG 4.35Å; I43-W45 HydrophobicContact CG2-CH2 4.35Å; I43-W45 HydrophobicContact CG2-CZ2 3.47Å; I43-W45 VanDerWaalsContact CG2-CZ2 3.47Å; I43-F61 HydrophobicContact CD1-CE2 4.22Å; I43-F114 HydrophobicContact CD1-CZ 4.42Å; I43-F114 HydrophobicContact CG1-CE1 4.43Å; I43-F114 HydrophobicContact CG2-CE1 3.74Å; I43-F114 HydrophobicContact CG2-CE2 4.5Å; I43-F114 HydrophobicContact CG2-CZ 3.51Å; I43-I119 HydrophobicContact CD1-CD1 4.25Å
44D35.8Very low34Very low75 Ų7592.6 Ų92.640%0.40149%0.485SS..EExtended strand (participates in β ladder)trans-74.5116.7166.1-95.7-59.2000109.1W58D44-W58 HydrophobicContact CB-CH2 4.39Å; D44-W58 HydrophobicContact CB-CZ3 4.35Å; D44-W58 VanDerWaalsContact CG-CZ3 3.5Å; D44-W58 WeakPolarHBondContact OD1-CH2 2.87Å; D44-W58 WeakPolarHBondContact OD1-CZ2 2.96Å; D44-W58 WeakPolarHBondContact OD2-CH2 3.12Å
45W40.2Very low34Very low28 Ų2890 Ų9011%0.10647%0.469CS..EExtended strand (participates in β ladder)trans-110.9142170.9-56.276.1000109.8I43 R56 I57 F59 F114 I119 Y121I43-W45 HydrophobicContact CB-CZ2 4.28Å; I43-W45 VanDerWaalsContact CB-NE1 3.3Å; I43-W45 HydrophobicContact CD1-CZ2 4.04Å; I43-W45 HydrophobicContact CG2-CD2 4.11Å; I43-W45 HydrophobicContact CG2-CG 4.35Å; I43-W45 HydrophobicContact CG2-CH2 4.35Å; I43-W45 HydrophobicContact CG2-CZ2 3.47Å; I43-W45 VanDerWaalsContact CG2-CZ2 3.47Å; W45-R56 CarbonylContact O-C 3.5Å; W45-R56 WeakPolarHBondContact O-CA 3.34Å; W45-R56 WeakPolarHBondContact O-CB 3.42Å; W45-I57 WeakPolarHBondContact CB-O 3.07Å; W45-I57 PolarHBondContact N-O 2.83Å; W45-I57 VanDerWaalsContact N-O 3.12Å; W45-I57 PolarHBondContact O-N 2.89Å; W45-F59 AromaticContact CD1-CD2 3.62Å; W45-F59 HydrophobicContact CG-CD2 4.28Å; W45-F59 HydrophobicContact CG-CE2 4.44Å; W45-F59 AromaticContact NE1-CD2 3.56Å; W45-F114 AromaticContact CH2-CE2 3.87Å; W45-F114 HydrophobicContact CH2-CE2 3.87Å; W45-F114 HydrophobicContact CH2-CZ 4.05Å; W45-F114 HydrophobicContact CZ2-CE2 4.2Å; W45-F114 HydrophobicContact CZ2-CZ 4.17Å; W45-I119 HydrophobicContact CH2-CB 4.04Å; W45-I119 HydrophobicContact CH2-CD1 4.24Å; W45-I119 HydrophobicContact CH2-CG2 4.11Å; W45-I119 HydrophobicContact CZ2-CD1 4.09Å; W45-Y121 HydrophobicContact CD2-CE2 4.19Å; W45-Y121 AromaticContact CE2-CZ 3.99Å; W45-Y121 VanDerWaalsContact CE2-OH 3.31Å; W45-Y121 HydrophobicContact CE3-CD2 4.11Å; W45-Y121 AromaticContact CE3-CE2 3.59Å; W45-Y121 HydrophobicContact CE3-CE2 3.59Å; W45-Y121 HydrophobicContact CH2-CD2 4.11Å; W45-Y121 AromaticContact CH2-CE2 3.12Å; W45-Y121 HydrophobicContact CH2-CE2 3.12Å; W45-Y121 AromaticContact CH2-CZ 3.73Å; W45-Y121 WeakPolarHBondContact CH2-OH 3.49Å; W45-Y121 AromaticContact CZ2-CE2 3.66Å; W45-Y121 HydrophobicContact CZ2-CE2 3.66Å; W45-Y121 AromaticContact CZ2-CZ 3.74Å; W45-Y121 WeakPolarHBondContact CZ2-OH 3.27Å; W45-Y121 AromaticContact CZ3-CD2 3.62Å; W45-Y121 HydrophobicContact CZ3-CD2 3.62Å; W45-Y121 AromaticContact CZ3-CE2 3.03Å; W45-Y121 HydrophobicContact CZ3-CE2 3.03Å; W45-Y121 AromaticContact CZ3-CZ 3.82Å
46F31.7Very low34.1Very low123 Ų12391.5 Ų91.554%0.53946%0.455SS..EExtended strand (participates in β ladder)trans-109.3116.7170.2-65.5-91.6000108.8I54 R56F46-I54 HydrophobicContact CD1-CG2 3.72Å; F46-R56 HydrophobicContact CD1-CG 3.85Å; F46-R56 HydrophobicContact CE1-CG 3.83Å; F46-R56 HydrophobicContact CZ-CG 4.49Å
47I38.3Very low34.4Very low55 Ų5588.4 Ų88.428%0.28243%0.432SS..EExtended strand (participates in β ladder)trans-91.8122.3167.8-61.6-169.6000108.5T49 Q55 I57I47-T49 HydrophobicContact CG2-CG2 4.13Å; I47-Q55 PolarHBondContact N-O 2.82Å; I47-Q55 PolarHBondContact O-N 3.12Å; I47-I57 HydrophobicContact CD1-CD1 3.28Å; I47-I57 HydrophobicContact CD1-CG1 3.77Å; I47-I57 HydrophobicContact CG1-CD1 4.24Å; I47-I57 HydrophobicContact CG1-CG1 4.2Å
48L28.8Very low34.6Very low79 Ų7989.3 Ų89.341%0.41442%0.423SS..EExtended strand (participates in β ladder)trans-94.697.8171.9-77.2159.6000108.8I54 I79 I82L48-I54 HydrophobicContact CD2-CG1 4.25Å; L48-I79 HydrophobicContact CD2-CD1 3.26Å; L48-I79 HydrophobicContact CD2-CG1 3.82Å; L48-I82 HydrophobicContact CD1-CD1 3.65Å
49T31.6Very low35Very low64 Ų6487.2 Ų87.239%0.39341%0.408SS..  trans-81.1122.3167.745.30000109.3I47 G51 K52 Q53I47-T49 HydrophobicContact CG2-CG2 4.13Å; T49-G51 PolarHBondContact O-N 2.83Å; T49-K52 PolarHBondContact OG1-O 3.22Å; T49-Q53 PolarHBondContact OG1-O 2.88Å
50Q26.7Very low35.1Very low186 Ų18682.3 Ų82.387%0.86939%0.391SS*.THydrogen-bonded Turntrans-58.3110169.1-90.8-168.5-13.800108.8
51G28.5Very low35.3Very low69 Ų6978.3 Ų78.371%0.71138%0.378SS*.THydrogen-bonded Turntrans127.8-23.6164.200000116.8T49T49-G51 PolarHBondContact O-N 2.83Å
52K30.5Very low35.1Very low181 Ų18171.1 Ų71.179%0.78735%0.354SS*.SBendtrans179.4134.8172.3-97.5138.2-171.3-173.10110T49T49-K52 PolarHBondContact OG1-O 3.22Å
53Q34.6Very low34.9Very low116 Ų11674.4 Ų74.454%0.54237%0.367SS..  trans70.5131.6168.3-64.2178.6-1600117.1T49T49-Q53 PolarHBondContact OG1-O 2.88Å
54I36.1Very low34.7Very low33 Ų3377.3 Ų77.317%0.16939%0.386CS..EExtended strand (participates in β ladder)trans-84.6125.8167.3-67.4168.2000106.2F46 L48 C77F46-I54 HydrophobicContact CD1-CG2 3.72Å; L48-I54 HydrophobicContact CD2-CG1 4.25Å; I54-C77 HydrophobicContact CD1-CB 3.69Å
55Q38.9Very low34.5Very low65 Ų6582.2 Ų82.230%0.30441%0.406SS..EExtended strand (participates in β ladder)trans-106.6128.7170.8-67.6-176.4-3.600108I47 V71I47-Q55 PolarHBondContact N-O 2.82Å; I47-Q55 PolarHBondContact O-N 3.12Å; Q55-V71 HydrophobicContact CB-CG1 4.05Å; Q55-V71 HydrophobicContact CG-CG1 4.32Å
56R35.8Very low34.1Very low97 Ų9787.1 Ų87.137%0.36643%0.43SS..EExtended strand (participates in β ladder)trans-87.5138166.3-63.5-177.2-155.1-176.66.7109.3W45 F46 V71 T72W45-R56 CarbonylContact O-C 3.5Å; W45-R56 WeakPolarHBondContact O-CA 3.34Å; W45-R56 WeakPolarHBondContact O-CB 3.42Å; F46-R56 HydrophobicContact CD1-CG 3.85Å; F46-R56 HydrophobicContact CE1-CG 3.83Å; F46-R56 HydrophobicContact CZ-CG 4.49Å; R56-V71 CarbonylContact O-C 3.57Å; R56-V71 WeakPolarHBondContact O-CA 3.29Å; R56-T72 WeakPolarHBondContact CB-OG1 3.32Å; R56-T72 PolarHBondContact N-O 3.01Å; R56-T72 PolarHBondContact O-N 2.83Å
57I41.9Very low34.2Very low8 Ų882.3 Ų82.34%0.04141%0.411CS..EExtended strand (participates in β ladder)trans-116.9129.3169.7-55.3-161000108W45 I47 F59 C70 V71W45-I57 WeakPolarHBondContact CB-O 3.07Å; W45-I57 PolarHBondContact N-O 2.83Å; W45-I57 VanDerWaalsContact N-O 3.12Å; W45-I57 PolarHBondContact O-N 2.89Å; I47-I57 HydrophobicContact CD1-CD1 3.28Å; I47-I57 HydrophobicContact CD1-CG1 3.77Å; I47-I57 HydrophobicContact CG1-CD1 4.24Å; I47-I57 HydrophobicContact CG1-CG1 4.2Å; I57-F59 HydrophobicContact CB-CE2 4.09Å; I57-F59 HydrophobicContact CG2-CD2 3.9Å; I57-F59 HydrophobicContact CG2-CE1 4.36Å; I57-F59 HydrophobicContact CG2-CE2 3.43Å; I57-F59 VanDerWaalsContact CG2-CE2 3.43Å; I57-F59 HydrophobicContact CG2-CZ 3.7Å; I57-C70 CarbonylContact C-O 3.5Å; I57-C70 WeakPolarHBondContact CA-O 3.15Å; I57-V71 HydrophobicContact CD1-CG2 4.01Å; I57-V71 HydrophobicContact CG1-CG2 4.1Å
58W37.5Very low33.8Very low63 Ų6381.7 Ų81.724%0.23941%0.411CS..EExtended strand (participates in β ladder)trans-101.4124.8171.3-62.987.9000108.6D42 D44 S69 C70D42-W58 HydrophobicContact CB-CZ3 3.84Å; D44-W58 HydrophobicContact CB-CH2 4.39Å; D44-W58 HydrophobicContact CB-CZ3 4.35Å; D44-W58 VanDerWaalsContact CG-CZ3 3.5Å; D44-W58 WeakPolarHBondContact OD1-CH2 2.87Å; D44-W58 WeakPolarHBondContact OD1-CZ2 2.96Å; D44-W58 WeakPolarHBondContact OD2-CH2 3.12Å; W58-S69 CarbonylContact O-C 3.49Å; W58-S69 WeakPolarHBondContact O-CA 3.37Å; W58-C70 HydrophobicContact CB-CB 4.31Å; W58-C70 PolarHBondContact N-O 3.33Å; W58-C70 PolarHBondContact O-N 3.21Å
59F40.5Very low34Very low13 Ų1378.1 Ų78.16%0.05739%0.393CS..EExtended strand (participates in β ladder)trans-104.4124.6170.5-69.4-87.6000109.6W45 I57 F61 V67 C68 Y121 W182W45-F59 AromaticContact CD1-CD2 3.62Å; W45-F59 HydrophobicContact CG-CD2 4.28Å; W45-F59 HydrophobicContact CG-CE2 4.44Å; W45-F59 AromaticContact NE1-CD2 3.56Å; I57-F59 HydrophobicContact CB-CE2 4.09Å; I57-F59 HydrophobicContact CG2-CD2 3.9Å; I57-F59 HydrophobicContact CG2-CE1 4.36Å; I57-F59 HydrophobicContact CG2-CE2 3.43Å; I57-F59 VanDerWaalsContact CG2-CE2 3.43Å; I57-F59 HydrophobicContact CG2-CZ 3.7Å; F59-F61 HydrophobicContact CB-CD2 4.43Å; F59-F61 HydrophobicContact CB-CE2 3.73Å; F59-F61 HydrophobicContact CB-CZ 4.07Å; F59-V67 HydrophobicContact CD1-CG1 3.8Å; F59-C68 WeakPolarHBondContact CA-O 3.41Å; F59-Y121 HydrophobicContact CE2-CE1 4.26Å; F59-Y121 HydrophobicContact CZ-CE1 4.38Å; F59-W182 HydrophobicContact CE1-CZ2 4.01Å; F59-W182 HydrophobicContact CZ-CZ2 4.26Å
60V37.2Very low34Very low11 Ų1175.5 Ų75.57%0.06738%0.377CS..EExtended strand (participates in β ladder)trans-106116.6171.7-176.10000107.4W39 C68 F171W39-V60 HydrophobicContact CE3-CG1 3.61Å; W39-V60 HydrophobicContact CZ3-CG1 3.89Å; V60-C68 HydrophobicContact CB-CB 4.42Å; V60-C68 PolarHBondContact N-O 3.01Å; V60-C68 PolarHBondContact O-N 2.81Å; V60-C68 VanDerWaalsContact O-N 3.15Å; V60-F171 HydrophobicContact CG1-CD2 4.09Å; V60-F171 HydrophobicContact CG1-CE2 4.03Å; V60-F171 HydrophobicContact CG2-CD2 3.79Å; V60-F171 HydrophobicContact CG2-CE2 4.45Å; V60-F171 HydrophobicContact CG2-CG 4.4Å
61F36.8Very low34.4Very low66 Ų6669 Ų6929%0.28935%0.35SS..EExtended strand (participates in β ladder)trans-95.9120.9175.7-63.9-87.2000109.1I43 F59 V67 L141I43-F61 HydrophobicContact CD1-CE2 4.22Å; F59-F61 HydrophobicContact CB-CD2 4.43Å; F59-F61 HydrophobicContact CB-CE2 3.73Å; F59-F61 HydrophobicContact CB-CZ 4.07Å; F61-V67 HydrophobicContact CD1-CG1 4.37Å; F61-V67 HydrophobicContact CD1-CG2 3.85Å; F61-V67 HydrophobicContact CE1-CG1 4.09Å; F61-V67 HydrophobicContact CE1-CG2 3.96Å; F61-L141 HydrophobicContact CE1-CD2 4.41Å; F61-L141 HydrophobicContact CZ-CD2 4.47Å
62N31Very low34.5Very low42 Ų4266.8 Ų66.823%0.22532%0.322CS..  trans-93.7143.5166.3-168.6-10.3000108.9W39 T64 E66W39-N62 HydrophobicContact CE3-CB 4.48Å; W39-N62 HydrophobicContact CH2-CB 4.06Å; W39-N62 WeakPolarHBondContact CH2-ND2 3.43Å; W39-N62 HydrophobicContact CZ3-CB 3.72Å; N62-T64 PolarHBondContact ND2-OG1 2.8Å; N62-T64 PolarHBondContact O-N 2.94Å; N62-T64 VanDerWaalsContact O-N 3.11Å; N62-T64 PolarHBondContact OD1-N 3.27Å; N62-T64 PolarHBondContact OD1-OG1 3.12Å; N62-E66 PolarHBondContact N-O 2.99Å
63E32.3Very low34.4Very low157 Ų15760 Ų6073%0.73430%0.304SS*.SBendtrans-63.6-11.4171.5-77.6-176.5-171.300112.8T38T38-E63 WeakPolarHBondContact CB-OE1 3.49Å; T38-E63 WeakPolarHBondContact OG1-CG 3.33Å; T38-E63 PolarHBondContact OG1-OE1 2.76Å; T38-E63 PolarHBondContact OG1-OE2 3.43Å
64T33.5Very low34Very low92 Ų9262 Ų6256%0.56431%0.312SS*.SBendtrans-106.977.4174.849.80000110N62 E66N62-T64 PolarHBondContact ND2-OG1 2.8Å; N62-T64 PolarHBondContact O-N 2.94Å; N62-T64 VanDerWaalsContact O-N 3.11Å; N62-T64 PolarHBondContact OD1-N 3.27Å; N62-T64 PolarHBondContact OD1-OG1 3.12Å; T64-E66 PolarHBondContact O-N 3.11Å
65E32.9Very low33.6Very low179 Ų17967.9 Ų67.984%0.83634%0.338SS*.SBendtrans47.6-1.4159.6-63.5-177.3168.300120.8
66E30.4Very low32.9Very low130 Ų13075 Ų7561%0.60737%0.368SS*.  trans-108.6122-178.1-67.2-177172.200110.7N62 T64N62-E66 PolarHBondContact N-O 2.99Å; T64-E66 PolarHBondContact O-N 3.11Å
67V33.5Very low32.3Very low23 Ų2374.5 Ų74.514%0.13938%0.378CS..EExtended strand (participates in β ladder)trans-103116.2172-178.60000108F59 F61F59-V67 HydrophobicContact CD1-CG1 3.8Å; F61-V67 HydrophobicContact CD1-CG1 4.37Å; F61-V67 HydrophobicContact CD1-CG2 3.85Å; F61-V67 HydrophobicContact CE1-CG1 4.09Å; F61-V67 HydrophobicContact CE1-CG2 3.96Å
68C30.8Very low31.5Very low42 Ų4282.4 Ų82.428%0.28442%0.421SS..EExtended strand (participates in β ladder)trans-98.1129.2173.3-75.90000109.6F59 V60F59-C68 WeakPolarHBondContact CA-O 3.41Å; V60-C68 HydrophobicContact CB-CB 4.42Å; V60-C68 PolarHBondContact N-O 3.01Å; V60-C68 PolarHBondContact O-N 2.81Å; V60-C68 VanDerWaalsContact O-N 3.15Å
69S33.8Very low30.9Very low4 Ų484.4 Ų84.43%0.02844%0.435CS..EExtended strand (participates in β ladder)trans-110.5129.7170.469.70000111.2W58 S180 W182W58-S69 CarbonylContact O-C 3.49Å; W58-S69 WeakPolarHBondContact O-CA 3.37Å; S69-S180 PolarHBondContact N-O 3.45Å; S69-S180 PolarHBondContact O-N 2.84Å; S69-S180 PolarHBondContact OG-OG 3.01Å; S69-W182 PolarHBondContact OG-NE1 3.3Å
70C31.7Very low30Very low9 Ų995.1 Ų95.16%0.06148%0.475CS..EExtended strand (participates in β ladder)trans-114124172.1-57.50000109.4I57 W58I57-C70 CarbonylContact C-O 3.5Å; I57-C70 WeakPolarHBondContact CA-O 3.15Å; W58-C70 HydrophobicContact CB-CB 4.31Å; W58-C70 PolarHBondContact N-O 3.33Å; W58-C70 PolarHBondContact O-N 3.21Å
71V33.8Very low29.4Very low50 Ų50103.5 Ų103.530%0.30351%0.514SS..EExtended strand (participates in β ladder)trans-94.4129.6177.1-1750000109.2Q55 R56 I57 I176Q55-V71 HydrophobicContact CB-CG1 4.05Å; Q55-V71 HydrophobicContact CG-CG1 4.32Å; R56-V71 CarbonylContact O-C 3.57Å; R56-V71 WeakPolarHBondContact O-CA 3.29Å; I57-V71 HydrophobicContact CD1-CG2 4.01Å; I57-V71 HydrophobicContact CG1-CG2 4.1Å; V71-I176 WeakPolarHBondContact O-CG2 3.26Å
72T30.6Very low28.9Very low21 Ų21106 Ų10613%0.12953%0.529CS..EExtended strand (participates in β ladder)trans-122.9121.8175.585.80000110.1R56 I176R56-T72 WeakPolarHBondContact CB-OG1 3.32Å; R56-T72 PolarHBondContact N-O 3.01Å; R56-T72 PolarHBondContact O-N 2.83Å; T72-I176 HydrophobicContact CG2-CD1 3.21Å; T72-I176 HydrophobicContact CG2-CG2 4.35Å
73G29.3Very low28.6Very low39 Ų39112 Ų11240%0.40256%0.559SS.*  trans-95.6153.1158.900000107.7
74F26.6Very low28.2Very low159 Ų159109 Ų10970%0.69756%0.561SS**  cis-164.3135.939.7-68.9-94.5000109.1
75E26.1Very low27.7Very low155 Ų155107.7 Ų107.772%0.72456%0.56SS**  trans-163.6140.5147.3-114.4174.2-175.400110.8C77E75-C77 PolarHBondContact O-N 2.68Å
76K24.1Very low27.3Very low214 Ų214106.7 Ų106.793%0.9356%0.56SS**  trans-74.5115.3177.8-84.7176.5173.61740109.6
77C24.6Very low27.1Very low87 Ų87106.9 Ų106.959%0.58856%0.556SS**  trans-116.3135.8160.6-77.20000111.6I54 E75I54-C77 HydrophobicContact CD1-CB 3.69Å; E75-C77 PolarHBondContact O-N 2.68Å
78N23.3Very low26.7Very low175 Ų175110.7 Ų110.794%0.93658%0.584SS**  trans-74.3121.6171.7-75.2-35.1000109.4
79I25.6Very low26.4Very low105 Ų105113.2 Ų113.254%0.53860%0.6SS.*  trans-97.8101179.2-59.1136.1000109.1L48L48-I79 HydrophobicContact CD2-CD1 3.26Å; L48-I79 HydrophobicContact CD2-CG1 3.82Å
80R22.6Very low26.1Very low237 Ų237120 Ų12089%0.89463%0.634SS**  trans-114.1139.9150.3-80.6-176.8173.3-173-2.1105.3
81E24.4Very low25.8Very low187 Ų187124.9 Ų124.987%0.87466%0.658SS**  trans89.453.4177.9-53.9-178.7162.600118.2
82I26.9Very low25.5Very low118 Ų118129 Ų12961%0.60567%0.674SS**  trans-133.759149.1-48176.6000108.4L48L48-I82 HydrophobicContact CD1-CD1 3.65Å
83I24Very low25.2Very low169 Ų169134.6 Ų134.687%0.86770%0.703SS**SBendtrans-136.268.5170.1-52.7175.5000105.5
84A23.8Very low25.1Very low93 Ų93141.6 Ų141.677%0.76973%0.725SS**  trans-167.5-17.1176.300000116.3N86A84-N86 PolarHBondContact O-N 2.95Å
85A23.1Very low25.1Very low66 Ų66142.3 Ų142.355%0.54573%0.731SS.*  trans-84.782.8-17700000111.5Y87A85-Y87 HydrophobicContact CB-CD2 4.48Å; A85-Y87 PolarHBondContact O-N 3.04Å; A85-Y87 VanDerWaalsContact O-N 3.11Å
86N23.2Very low25.2Very low157 Ų157144.8 Ų144.884%0.8474%0.739SS**  trans-44.2111.1157.1-81-32.7000110A84A84-N86 PolarHBondContact O-N 2.95Å
87Y27.6Very low25.3Very low135 Ų135142.8 Ų142.853%0.52973%0.731SS.*  trans-120.398.1160.6-95.7-87.1000108.9A85 P111A85-Y87 HydrophobicContact CB-CD2 4.48Å; A85-Y87 PolarHBondContact O-N 3.04Å; A85-Y87 VanDerWaalsContact O-N 3.11Å; Y87-P111 HydrophobicContact CD1-CG 4Å; Y87-P111 HydrophobicContact CE1-CG 3.83Å
88S24Very low25.4Very low103 Ų103146.3 Ų146.372%0.7274%0.744SS**  trans-53130.4159.6-85.90000108.6I90S88-I90 PolarHBondContact O-N 3.3Å
89P25.9Very low25.9Very low95 Ų95143.8 Ų143.862%0.61773%0.729SS**  trans-62.4125.2171.827.9-33.2000107.9I91P89-I91 HydrophobicContact CB-CD1 4.28Å; P89-I91 HydrophobicContact CB-CG1 3.77Å; P89-I91 HydrophobicContact CG-CD1 3.76Å; P89-I91 HydrophobicContact CG-CG1 3.81Å; P89-I91 PolarHBondContact O-N 2.65Å
90I26.5Very low26.1Very low147 Ų147142 Ų14275%0.75473%0.726SS**  trans-70.177.2162.4-59.9175.2000105.4S88 H92S88-I90 PolarHBondContact O-N 3.3Å; I90-H92 PolarHBondContact O-N 2.84Å
91I26.2Very low26.5Very low110 Ų110137.6 Ų137.656%0.56472%0.72SS**  trans-70.4105.6166.1-61.1174.2000104.3P89 N93P89-I91 HydrophobicContact CB-CD1 4.28Å; P89-I91 HydrophobicContact CB-CG1 3.77Å; P89-I91 HydrophobicContact CG-CD1 3.76Å; P89-I91 HydrophobicContact CG-CG1 3.81Å; P89-I91 PolarHBondContact O-N 2.65Å; I91-N93 PolarHBondContact O-N 3.16Å
92H26.4Very low26.7Very low138 Ų138138.1 Ų138.164%0.63971%0.714SS**  trans-58.5112.3159.5-100.9-84.1000106.7I90 E94I90-H92 PolarHBondContact O-N 2.84Å; H92-E94 VanDerWaalsContact C-N 3.35Å; H92-E94 PolarHBondContact O-N 3.01Å
93N25.2Very low27Very low137 Ų137138.4 Ų138.473%0.73371%0.713SS**SBendtrans-58.896.1172.4-80.7-39.9000108.3I91I91-N93 PolarHBondContact O-N 3.16Å
94E27.3Very low27.3Very low186 Ų186138.6 Ų138.687%0.86971%0.707SS**SBendtrans17662.6152.7-98.9166.1-153.300109.5H92H92-E94 VanDerWaalsContact C-N 3.35Å; H92-E94 PolarHBondContact O-N 3.01Å
95E27.2Very low27.8Very low175 Ų175137.5 Ų137.582%0.81869%0.688SS**  trans170.376.7145.8-94.8178.6172.700109.6K97E95-K97 PolarHBondContact O-N 3.39Å
96K27.3Very low28.3Very low207 Ų207138 Ų13890%0.968%0.677SS**  trans-68.675.4157.8-81.9-178.4175.4175.40108.6
97K26.6Very low28.7Very low172 Ų172136.1 Ų136.175%0.74867%0.666SS**  trans-137.4106.3168.9-88.5-177.1177.61720109.8E95E95-K97 PolarHBondContact O-N 3.39Å
98N27.2Very low29Very low161 Ų161133.1 Ų133.186%0.86166%0.664SS**  trans57.664.2161.7-67.2-14.1000116.7S100N98-S100 VanDerWaalsContact C-N 3.33Å; N98-S100 PolarHBondContact O-N 3.1Å
99I32.8Very low29.6Very low122 Ų122131.8 Ų131.863%0.62665%0.652SS**  trans-64.3100.4152.3-70.7169.1000107E103I99-E103 HydrophobicContact CG2-CB 4.26Å; I99-E103 HydrophobicContact CG2-CG 4.11Å; I99-E103 WeakPolarHBondContact CG2-OE2 3.23Å
100S30.3Very low29.7Very low68 Ų68130.2 Ų130.248%0.47664%0.642SS.*  trans-64.7151.8176.180.40000109.9N98 R102N98-S100 VanDerWaalsContact C-N 3.33Å; N98-S100 PolarHBondContact O-N 3.1Å; S100-R102 PolarHBondContact O-N 2.97Å
101N29.7Very low30Very low144 Ų144124.6 Ų124.677%0.7762%0.615SS**G310 helixtrans-557.8178.6-90.4-29.4000116.1
102R29.8Very low30.3Very low198 Ų198122.5 Ų122.575%0.74761%0.608SS**G310 helixtrans-82.8-13178.6-70.1-177.8176.2177.2-1.2114.6S100 K104S100-R102 PolarHBondContact O-N 2.97Å; R102-K104 VanDerWaalsContact C-N 3.32Å; R102-K104 PolarHBondContact O-N 3.05Å
103E32.5Very low30.4Very low124 Ų124123 Ų12358%0.57961%0.605SS**G310 helixtrans-80.8-3.1-177.8-76.3-179.4-163.400114.9I99 D105I99-E103 HydrophobicContact CG2-CB 4.26Å; I99-E103 HydrophobicContact CG2-CG 4.11Å; I99-E103 WeakPolarHBondContact CG2-OE2 3.23Å; E103-D105 VanDerWaalsContact C-N 3.3Å
104K30.6Very low30.7Very low173 Ų173119.7 Ų119.775%0.75258%0.584SS**G310 helixtrans-78.6-13.8177-71.3-175.5179177.10114.1R102 Y106R102-K104 VanDerWaalsContact C-N 3.32Å; R102-K104 PolarHBondContact O-N 3.05Å; K104-Y106 VanDerWaalsContact C-N 3.34Å
105D34.8Very low30.7Very low69 Ų69117.8 Ų117.837%0.36958%0.58SS.*G310 helixtrans-90.4-0.9-173-62.2-19.9000112.5E103 K124 S125E103-D105 VanDerWaalsContact C-N 3.3Å; D105-K124 HydrophobicContact CB-CG 4Å; D105-K124 CarbonylContact O-C 3.52Å; D105-K124 WeakPolarHBondContact O-CA 3.45Å; D105-S125 PolarHBondContact O-N 3.35Å
106Y32.8Very low30.8Very low76 Ų76114.1 Ų114.130%0.29856%0.563SS.*EExtended strand (participates in β ladder)trans-103.6126.9-173.3-69.8-95.4000112.7K104 C122 T123 K124K104-Y106 VanDerWaalsContact C-N 3.34Å; Y106-C122 HydrophobicContact CD1-CB 3.95Å; Y106-C122 HydrophobicContact CG-CB 4.39Å; Y106-T123 CarbonylContact C-O 3.38Å; Y106-T123 VanDerWaalsContact CA-O 3.22Å; Y106-T123 WeakPolarHBondContact CA-O 3.37Å; Y106-K124 HydrophobicContact CD1-CB 4.05Å; Y106-K124 HydrophobicContact CE1-CB 3.7Å; Y106-K124 HydrophobicContact CE1-CG 4.29Å; Y106-K124 HydrophobicContact CE2-CG 4.3Å
107L32.3Very low30.9Very low119 Ų119104.6 Ų104.662%0.62352%0.523SS*.EExtended strand (participates in β ladder)trans-92.1109.6169-162.583.8000108.2C122 T123L107-C122 WeakPolarHBondContact O-CA 3.5Å; L107-T123 PolarHBondContact N-O 3.49Å; L107-T123 PolarHBondContact O-N 3.38Å
108C33.4Very low31.1Very low71 Ų7198.1 Ų98.148%0.4850%0.498SS..EExtended strand (participates in β ladder)trans-103.1141.1-179.3-52.40000112.2Y121 C122C108-Y121 WeakPolarHBondContact CA-O 3.36Å; C108-Y121 WeakPolarHBondContact CB-O 3.46Å; C108-C122 HydrophobicContact CB-CB 4.22Å; C108-C122 WeakPolarHBondContact CB-SG 3.38Å; C108-C122 WeakPolarHBondContact SG-CB 3.45Å; C108-C122 CovalentContact SG-SG 2.05Å; C108-C122 PolarHBondContact SG-SG 3.48Å
109T36.2Very low31.6Very low76 Ų7691.1 Ų91.147%0.46646%0.46SS..PPolyproline II helixtrans-91.4155.4177.155.20000112Y121T109-Y121 PolarHBondContact N-O 2.87Å; T109-Y121 VanDerWaalsContact N-O 3.09Å
110C28.7Very low31.6Very low61 Ų6187.4 Ų87.441%0.41244%0.443SS..PPolyproline II helixtrans-58.7139.4177.7-67.50000111T112C110-T112 PolarHBondContact O-N 3.17Å
111P31.9Very low32Very low29 Ų2985.5 Ų85.519%0.18843%0.426CS..PPolyproline II helixtrans-58.8123.4176.723.2-31.7000110.1Y87 V118Y87-P111 HydrophobicContact CD1-CG 4Å; Y87-P111 HydrophobicContact CE1-CG 3.83Å; P111-V118 HydrophobicContact CB-CG1 3.46Å; P111-V118 VanDerWaalsContact CB-CG1 3.46Å
112T32.8Very low32.3Very low66 Ų6679.5 Ų79.541%0.40540%0.395SS..EExtended strand (participates in β ladder)trans-94.7122.5170.4-52.60000108.1C110 F114C110-T112 PolarHBondContact O-N 3.17Å; T112-F114 HydrophobicContact CG2-CD2 4.47Å; T112-F114 HydrophobicContact CG2-CE1 3.98Å; T112-F114 HydrophobicContact CG2-CE2 3.74Å; T112-F114 HydrophobicContact CG2-CZ 3.45Å; T112-F114 VanDerWaalsContact CG2-CZ 3.45Å; T112-F114 VanDerWaalsContact O-CD2 3.32Å; T112-F114 WeakPolarHBondContact O-CD2 2.84Å; T112-F114 WeakPolarHBondContact O-CE2 3.24Å
113Y28.6Very low32.6Very low150 Ų15072.9 Ų72.959%0.58838%0.376SS*.EExtended strand (participates in β ladder)trans-80.3123.7178.2-66.7-88000109.3V118Y113-V118 HydrophobicContact CD1-CG2 3.79Å; Y113-V118 HydrophobicContact CE1-CG2 3.84Å
114F32.8Very low32.7Very low67 Ų6771.5 Ų71.529%0.29437%0.369SS..EExtended strand (participates in β ladder)trans-116.6161.1171.2-59.9-81.1000110I43 W45 T112 H116 G117 I119I43-F114 HydrophobicContact CD1-CZ 4.42Å; I43-F114 HydrophobicContact CG1-CE1 4.43Å; I43-F114 HydrophobicContact CG2-CE1 3.74Å; I43-F114 HydrophobicContact CG2-CE2 4.5Å; I43-F114 HydrophobicContact CG2-CZ 3.51Å; W45-F114 AromaticContact CH2-CE2 3.87Å; W45-F114 HydrophobicContact CH2-CE2 3.87Å; W45-F114 HydrophobicContact CH2-CZ 4.05Å; W45-F114 HydrophobicContact CZ2-CE2 4.2Å; W45-F114 HydrophobicContact CZ2-CZ 4.17Å; T112-F114 HydrophobicContact CG2-CD2 4.47Å; T112-F114 HydrophobicContact CG2-CE1 3.98Å; T112-F114 HydrophobicContact CG2-CE2 3.74Å; T112-F114 HydrophobicContact CG2-CZ 3.45Å; T112-F114 VanDerWaalsContact CG2-CZ 3.45Å; T112-F114 VanDerWaalsContact O-CD2 3.32Å; T112-F114 WeakPolarHBondContact O-CD2 2.84Å; T112-F114 WeakPolarHBondContact O-CE2 3.24Å; F114-H116 PolarHBondContact O-N 3.35Å; F114-G117 PolarHBondContact N-O 3.24Å; F114-G117 PolarHBondContact O-N 3.41Å; F114-I119 HydrophobicContact CD2-CD1 4.17Å; F114-I119 HydrophobicContact CD2-CG1 4.29Å; F114-I119 HydrophobicContact CE2-CD1 4.1Å; F114-I119 HydrophobicContact CE2-CG1 4.37Å
115N26.3Very low32.9Very low146 Ų14665.2 Ų65.278%0.78135%0.346SS*.THydrogen-bonded Turntrans-54.5-10.8174.3-71.4-14.2000114
116H30.3Very low32.8Very low98 Ų9868.1 Ų68.145%0.45436%0.362SS..THydrogen-bonded Turntrans-127.91.1-172.4-57.3-59.7000114.9R40 F114 H146R40-H116 PolarHBondContact NH1-CD2 2.86Å; R40-H116 PolarHBondContact NH2-CD2 2.82Å; R40-H116 PolarHBondContact NH2-CE1 3.46Å; R40-H116 VanDerWaalsContact NH2-CG 3.33Å; R40-H116 PolarHBondContact NH2-ND1 3.05Å; R40-H116 VanDerWaalsContact NH2-ND1 3.1Å; R40-H116 PolarHBondContact NH2-NE2 2.84Å; R40-H116 VanDerWaalsContact NH2-NE2 3.16Å; F114-H116 PolarHBondContact O-N 3.35Å; H116-H146 PolarHBondContact O-N 3.35Å
117G28.4Very low32.7Very low6 Ų673.6 Ų73.66%0.06238%0.383CS..EExtended strand (participates in β ladder)trans158.5174.4179.100000115F114 K144F114-G117 PolarHBondContact N-O 3.24Å; F114-G117 PolarHBondContact O-N 3.41Å; G117-K144 CarbonylContact C-O 3.51Å; G117-K144 WeakPolarHBondContact CA-O 3.32Å
118V31.8Very low32.5Very low36 Ų3676.3 Ų76.322%0.21839%0.393CS..EExtended strand (participates in β ladder)trans-102.9130.4168.8179.30000107.5P111 Y113 K144P111-V118 HydrophobicContact CB-CG1 3.46Å; P111-V118 VanDerWaalsContact CB-CG1 3.46Å; Y113-V118 HydrophobicContact CD1-CG2 3.79Å; Y113-V118 HydrophobicContact CE1-CG2 3.84Å; V118-K144 HydrophobicContact CB-CB 4.33Å; V118-K144 PolarHBondContact N-O 3.33Å; V118-K144 PolarHBondContact O-N 3.18Å
119I36.2Very low32.2Very low14 Ų1481.8 Ų81.87%0.07241%0.409CS..EExtended strand (participates in β ladder)trans-116.1131.9174.9-50.6178000108.7I43 W45 F114 Y121 L141 F142 V143I43-I119 HydrophobicContact CD1-CD1 4.25Å; W45-I119 HydrophobicContact CH2-CB 4.04Å; W45-I119 HydrophobicContact CH2-CD1 4.24Å; W45-I119 HydrophobicContact CH2-CG2 4.11Å; W45-I119 HydrophobicContact CZ2-CD1 4.09Å; F114-I119 HydrophobicContact CD2-CD1 4.17Å; F114-I119 HydrophobicContact CD2-CG1 4.29Å; F114-I119 HydrophobicContact CE2-CD1 4.1Å; F114-I119 HydrophobicContact CE2-CG1 4.37Å; I119-Y121 HydrophobicContact CB-CE2 4.21Å; I119-Y121 HydrophobicContact CG2-CD2 4.01Å; I119-Y121 HydrophobicContact CG2-CE2 3.25Å; I119-L141 HydrophobicContact CG2-CD1 3.4Å; I119-L141 VanDerWaalsContact CG2-CD1 3.4Å; I119-F142 WeakPolarHBondContact CA-O 3.4Å; I119-V143 HydrophobicContact CG1-CG1 4.39Å; I119-V143 HydrophobicContact CG2-CG2 4.37Å
120T34.4Very low31.8Very low44 Ų4486.5 Ų86.527%0.2743%0.431SS..EExtended strand (participates in β ladder)trans-125.4129.9175-55.30000108.7F142T120-F142 PolarHBondContact N-O 3.1Å; T120-F142 WeakPolarHBondContact O-CB 3.47Å; T120-F142 PolarHBondContact O-N 2.89Å
121Y38.5Very low31.6Very low28 Ų2887.6 Ų87.611%0.1144%0.439CS..EExtended strand (participates in β ladder)trans-109.9143.1175.8-64.7-103.6000108.7W45 F59 C108 T109 I119 L141W45-Y121 HydrophobicContact CD2-CE2 4.19Å; W45-Y121 AromaticContact CE2-CZ 3.99Å; W45-Y121 VanDerWaalsContact CE2-OH 3.31Å; W45-Y121 HydrophobicContact CE3-CD2 4.11Å; W45-Y121 AromaticContact CE3-CE2 3.59Å; W45-Y121 HydrophobicContact CE3-CE2 3.59Å; W45-Y121 HydrophobicContact CH2-CD2 4.11Å; W45-Y121 AromaticContact CH2-CE2 3.12Å; W45-Y121 HydrophobicContact CH2-CE2 3.12Å; W45-Y121 AromaticContact CH2-CZ 3.73Å; W45-Y121 WeakPolarHBondContact CH2-OH 3.49Å; W45-Y121 AromaticContact CZ2-CE2 3.66Å; W45-Y121 HydrophobicContact CZ2-CE2 3.66Å; W45-Y121 AromaticContact CZ2-CZ 3.74Å; W45-Y121 WeakPolarHBondContact CZ2-OH 3.27Å; W45-Y121 AromaticContact CZ3-CD2 3.62Å; W45-Y121 HydrophobicContact CZ3-CD2 3.62Å; W45-Y121 AromaticContact CZ3-CE2 3.03Å; W45-Y121 HydrophobicContact CZ3-CE2 3.03Å; W45-Y121 AromaticContact CZ3-CZ 3.82Å; F59-Y121 HydrophobicContact CE2-CE1 4.26Å; F59-Y121 HydrophobicContact CZ-CE1 4.38Å; C108-Y121 WeakPolarHBondContact CA-O 3.36Å; C108-Y121 WeakPolarHBondContact CB-O 3.46Å; T109-Y121 PolarHBondContact N-O 2.87Å; T109-Y121 VanDerWaalsContact N-O 3.09Å; I119-Y121 HydrophobicContact CB-CE2 4.21Å; I119-Y121 HydrophobicContact CG2-CD2 4.01Å; I119-Y121 HydrophobicContact CG2-CE2 3.25Å; Y121-L141 HydrophobicContact CD1-CD1 3.9Å; Y121-L141 HydrophobicContact CD2-CD1 4.49Å; Y121-L141 HydrophobicContact CE1-CB 4.41Å; Y121-L141 HydrophobicContact CE1-CD1 3.25Å; Y121-L141 HydrophobicContact CE1-CG 4.38Å; Y121-L141 HydrophobicContact CE2-CD1 3.84Å; Y121-L141 HydrophobicContact CG-CD1 4.49Å; Y121-L141 WeakPolarHBondContact OH-CD1 3.3Å
122C34.1Very low31.4Very low18 Ų1893.5 Ų93.512%0.12247%0.469CS..EExtended strand (participates in β ladder)trans-133.8119.6172.8-69.40000107.8Y106 L107 C108 D140Y106-C122 HydrophobicContact CD1-CB 3.95Å; Y106-C122 HydrophobicContact CG-CB 4.39Å; L107-C122 WeakPolarHBondContact O-CA 3.5Å; C108-C122 HydrophobicContact CB-CB 4.22Å; C108-C122 WeakPolarHBondContact CB-SG 3.38Å; C108-C122 WeakPolarHBondContact SG-CB 3.45Å; C108-C122 CovalentContact SG-SG 2.05Å; C108-C122 PolarHBondContact SG-SG 3.48Å; C122-D140 PolarHBondContact N-O 3.19Å
123T37.1Very low31Very low59 Ų5997.3 Ų97.336%0.36248%0.482SS..EExtended strand (participates in β ladder)trans-102.2135.1175.460.10000109.9Y106 L107 S125Y106-T123 CarbonylContact C-O 3.38Å; Y106-T123 VanDerWaalsContact CA-O 3.22Å; Y106-T123 WeakPolarHBondContact CA-O 3.37Å; L107-T123 PolarHBondContact N-O 3.49Å; L107-T123 PolarHBondContact O-N 3.38Å; T123-S125 PolarHBondContact O-N 3.41Å
124K35.3Very low31.1Very low96 Ų9698.2 Ų98.242%0.41749%0.485SS..EExtended strand (participates in β ladder)trans-76.5112.7175.7-166.2-179.1176.5-169.40109.4D105 Y106 N126D105-K124 HydrophobicContact CB-CG 4Å; D105-K124 CarbonylContact O-C 3.52Å; D105-K124 WeakPolarHBondContact O-CA 3.45Å; Y106-K124 HydrophobicContact CD1-CB 4.05Å; Y106-K124 HydrophobicContact CE1-CB 3.7Å; Y106-K124 HydrophobicContact CE1-CG 4.29Å; Y106-K124 HydrophobicContact CE2-CG 4.3Å; K124-N126 PolarHBondContact O-N 2.85Å
125S34.1Very low31.1Very low40 Ų40102 Ų10228%0.2850%0.504SS..  trans-78.3107.4171.1-177.10000109.5D105 T123 Y127D105-S125 PolarHBondContact O-N 3.35Å; T123-S125 PolarHBondContact O-N 3.41Å; S125-Y127 PolarHBondContact O-N 2.94Å; S125-Y127 WeakPolarHBondContact OG-CD2 3.39Å; S125-Y127 WeakPolarHBondContact OG-CE2 3.43Å
126N33.1Very low31.7Very low131 Ų131100.3 Ų100.370%0.70150%0.495SS*.  trans-70.882.3163.6-78.7-19.1000108.7K124 E128K124-N126 PolarHBondContact O-N 2.85Å; N126-E128 PolarHBondContact O-N 3.17Å
127Y30.8Very low32.3Very low190 Ų19099.5 Ų99.575%0.74549%0.494SS*.  trans-73.363.2168.3-96.1-79.4000110.4S125S125-Y127 PolarHBondContact O-N 2.94Å; S125-Y127 WeakPolarHBondContact OG-CD2 3.39Å; S125-Y127 WeakPolarHBondContact OG-CE2 3.43Å
128E28.2Very low32.8Very low176 Ų176102.1 Ų102.182%0.82250%0.504SS*.  trans-128100.4161.1-76.4-164.8157.800109.6N126N126-E128 PolarHBondContact O-N 3.17Å
129K27.5Very low33.3Very low187 Ų187102 Ų10281%0.81350%0.501SS*.SBendtrans36111.4150.7-73.1175.7174.3173.80118.2S131K129-S131 VanDerWaalsContact C-N 3.29Å; K129-S131 PolarHBondContact O-N 3.45Å
130D26.5Very low33.5Very low174 Ų174102 Ų10293%0.9350%0.501SS*.SBendtrans618.4137.2-65.3-28000120.4
131S25.1Very low33.8Very low85 Ų85100.6 Ų100.659%0.59449%0.492SS*.  trans-144.494.8166.358.60000111.2K129 Q133K129-S131 VanDerWaalsContact C-N 3.29Å; K129-S131 PolarHBondContact O-N 3.45Å; S131-Q133 PolarHBondContact O-N 2.92Å
132L26.4Very low33.9Very low153 Ų153102.7 Ų102.780%0.80150%0.502SS*.  trans-66.878.6162.7-88.9136.9000108.5
133Q26.2Very low34.2Very low146 Ų146102.9 Ų102.968%0.68250%0.502SS*.  trans-80.8115.3153.3-76.4-174.3-34.400105.9S131 E135S131-Q133 PolarHBondContact O-N 2.92Å; Q133-E135 PolarHBondContact O-N 2.93Å
134Y30.8Very low34Very low169 Ų169103 Ų10366%0.66350%0.498SS*.  trans-69.181.7171.6-70.1-89.1000108
135E31.4Very low34.1Very low146 Ų146102.7 Ų102.768%0.68250%0.497SS*.  trans-102.8114.4167.4-72.8-171.7163.300107.5Q133 D137Q133-E135 PolarHBondContact O-N 2.93Å; E135-D137 PolarHBondContact O-N 3.37Å
136D40.1Very low34.1Very low111 Ų111107.1 Ų107.159%0.59451%0.512SS*.  trans32.179.8169.3-58.6-27.2000115.3F138D136-F138 PolarHBondContact O-N 2.97Å
137D42.4Very low34.3Very low80 Ų80107.9 Ų107.943%0.42852%0.517SS..  trans-63.3103.2172.3-75.6-31.1000109.1E135 M139 S158E135-D137 PolarHBondContact O-N 3.37Å; D137-M139 PolarHBondContact O-N 3.43Å; D137-S158 PolarHBondContact O-N 3.04Å
138F39.1Very low34.6Very low62 Ų62104.1 Ų104.127%0.27250%0.504SS..EExtended strand (participates in β ladder)trans-71.5124.5169-173.7-103.3000108.6D136 D140 Y157D136-F138 PolarHBondContact O-N 2.97Å; F138-D140 WeakPolarHBondContact CE1-OD1 3.21Å; F138-D140 VanDerWaalsContact CE1-OD2 3.32Å; F138-D140 WeakPolarHBondContact CE1-OD2 3.26Å; F138-D140 VanDerWaalsContact CZ-OD1 3.23Å; F138-D140 WeakPolarHBondContact CZ-OD1 3.11Å; F138-Y157 HydrophobicContact CB-CD1 4.49Å; F138-Y157 HydrophobicContact CB-CE1 4.4Å; F138-Y157 AromaticContact CD2-CD1 3.79Å; F138-Y157 HydrophobicContact CD2-CD1 3.79Å; F138-Y157 HydrophobicContact CD2-CD2 4.27Å; F138-Y157 AromaticContact CD2-CE1 3.53Å; F138-Y157 HydrophobicContact CD2-CE1 3.53Å; F138-Y157 HydrophobicContact CD2-CE2 4.04Å; F138-Y157 HydrophobicContact CD2-CG 4.16Å; F138-Y157 AromaticContact CD2-CZ 3.67Å; F138-Y157 HydrophobicContact CE2-CD2 4.41Å; F138-Y157 HydrophobicContact CE2-CE1 4.25Å; F138-Y157 AromaticContact CE2-CE2 3.99Å; F138-Y157 HydrophobicContact CE2-CE2 3.99Å; F138-Y157 AromaticContact CE2-CZ 3.9Å; F138-Y157 HydrophobicContact CG-CE1 4.36Å
139M41.5Very low34.9Very low34 Ų34102.1 Ų102.117%0.16750%0.499CS..EExtended strand (participates in β ladder)trans-122.1129.1179.3-68.6-155.8-154.900109.4D137 G156 W182D137-M139 PolarHBondContact O-N 3.43Å; M139-G156 PolarHBondContact N-O 2.96Å; M139-G156 VanDerWaalsContact N-O 3.13Å; M139-G156 PolarHBondContact O-N 3.26Å; M139-G156 VanDerWaalsContact O-N 3.17Å; M139-W182 HydrophobicContact CB-CH2 3.24Å; M139-W182 HydrophobicContact CB-CZ2 4.36Å; M139-W182 HydrophobicContact CB-CZ3 3.6Å; M139-W182 HydrophobicContact CE-CZ2 4.37Å; M139-W182 HydrophobicContact CG-CH2 3.69Å; M139-W182 HydrophobicContact CG-CZ2 4.42Å; M139-W182 HydrophobicContact CG-CZ3 4.45Å; M139-W182 HydrophobicContact SD-CH2 3.49Å; M139-W182 WeakPolarHBondContact SD-CH2 3.27Å; M139-W182 HydrophobicContact SD-CZ2 3.8Å
140D40.1Very low35.4Very low14 Ų1499 Ų998%0.07549%0.491CS..EExtended strand (participates in β ladder)trans-102.4123.1172.8-71.9-37.4000109.9C122 F138 F142 H153C122-D140 PolarHBondContact N-O 3.19Å; F138-D140 WeakPolarHBondContact CE1-OD1 3.21Å; F138-D140 VanDerWaalsContact CE1-OD2 3.32Å; F138-D140 WeakPolarHBondContact CE1-OD2 3.26Å; F138-D140 VanDerWaalsContact CZ-OD1 3.23Å; F138-D140 WeakPolarHBondContact CZ-OD1 3.11Å; D140-F142 HydrophobicContact CB-CE2 3.79Å; D140-F142 HydrophobicContact CB-CZ 4.36Å; D140-H153 VanDerWaalsContact CG-NE2 3.31Å; D140-H153 IonicContact OD1-CE1 3.35Å; D140-H153 PolarHBondContact OD1-CE1 3.45Å; D140-H153 IonicContact OD1-NE2 3.03Å; D140-H153 PolarHBondContact OD1-NE2 3.44Å
141L42.4Very low35.7Very low14 Ų1494.5 Ų94.57%0.07347%0.473CS..EExtended strand (participates in β ladder)trans-108.5119.9175.3167.375.1000109.1F61 I119 Y121 V143 Y154F61-L141 HydrophobicContact CE1-CD2 4.41Å; F61-L141 HydrophobicContact CZ-CD2 4.47Å; I119-L141 HydrophobicContact CG2-CD1 3.4Å; I119-L141 VanDerWaalsContact CG2-CD1 3.4Å; Y121-L141 HydrophobicContact CD1-CD1 3.9Å; Y121-L141 HydrophobicContact CD2-CD1 4.49Å; Y121-L141 HydrophobicContact CE1-CB 4.41Å; Y121-L141 HydrophobicContact CE1-CD1 3.25Å; Y121-L141 HydrophobicContact CE1-CG 4.38Å; Y121-L141 HydrophobicContact CE2-CD1 3.84Å; Y121-L141 HydrophobicContact CG-CD1 4.49Å; Y121-L141 WeakPolarHBondContact OH-CD1 3.3Å; L141-V143 HydrophobicContact CD1-CG2 4.03Å; L141-V143 HydrophobicContact CD2-CG2 3.89Å; L141-V143 HydrophobicContact CG-CG2 3.77Å; L141-Y154 HydrophobicContact CD2-CD2 4.15Å; L141-Y154 HydrophobicContact CD2-CG 4.28Å; L141-Y154 HydrophobicContact CG-CD2 4.38Å; L141-Y154 PolarHBondContact N-O 3.39Å; L141-Y154 PolarHBondContact O-N 3.21Å
142F39.3Very low36.3Very low72 Ų7293.3 Ų93.332%0.31646%0.458SS..EExtended strand (participates in β ladder)trans-105.9117.7173-61.7-94.8000109.9I119 T120 D140 H153I119-F142 WeakPolarHBondContact CA-O 3.4Å; T120-F142 PolarHBondContact N-O 3.1Å; T120-F142 WeakPolarHBondContact O-CB 3.47Å; T120-F142 PolarHBondContact O-N 2.89Å; D140-F142 HydrophobicContact CB-CE2 3.79Å; D140-F142 HydrophobicContact CB-CZ 4.36Å; F142-H153 HydrophobicContact CD1-CB 4.39Å; F142-H153 AromaticContact CD1-CD2 3.74Å; F142-H153 HydrophobicContact CE1-CB 4.32Å; F142-H153 AromaticContact CE1-CD2 3.25Å; F142-H153 WeakPolarHBondContact CE1-CD2 3.18Å; F142-H153 AromaticContact CE2-CD2 3.97Å; F142-H153 AromaticContact CZ-CD2 3.36Å; F142-H153 WeakPolarHBondContact CZ-CD2 3.47Å; F142-H153 AromaticContact CZ-NE2 3.75Å
143V40.1Very low37.1Very low22 Ų2290.7 Ų90.713%0.13344%0.441CS..EExtended strand (participates in β ladder)trans-114.2114.7179-175.20000109.9I119 L141 Q152 Y154I119-V143 HydrophobicContact CG1-CG1 4.39Å; I119-V143 HydrophobicContact CG2-CG2 4.37Å; L141-V143 HydrophobicContact CD1-CG2 4.03Å; L141-V143 HydrophobicContact CD2-CG2 3.89Å; L141-V143 HydrophobicContact CG-CG2 3.77Å; V143-Q152 PolarHBondContact N-O 3.36Å; V143-Q152 PolarHBondContact O-N 2.95Å; V143-Y154 HydrophobicContact CB-CD2 4.4Å; V143-Y154 HydrophobicContact CB-CE2 4.02Å; V143-Y154 HydrophobicContact CG2-CD2 3.89Å; V143-Y154 HydrophobicContact CG2-CE2 3.85Å
144K34.7Very low37.9Very low61 Ų6187.4 Ų87.427%0.26542%0.423SS..EExtended strand (participates in β ladder)trans-96113.1167.2-174.5170.5-176.9166.60109.2G117 V118G117-K144 CarbonylContact C-O 3.51Å; G117-K144 WeakPolarHBondContact CA-O 3.32Å; V118-K144 HydrophobicContact CB-CB 4.33Å; V118-K144 PolarHBondContact N-O 3.33Å; V118-K144 PolarHBondContact O-N 3.18Å
145K37Very low38.2Very low90 Ų9079.7 Ų79.739%0.39140%0.395SS..EExtended strand (participates in β ladder)trans-73.3142.6176.6-75.5174.3174158.40110.1N147 K148K145-N147 PolarHBondContact O-N 3.01Å; K145-K148 HydrophobicContact CB-CB 4.4Å; K145-K148 PolarHBondContact O-N 2.92Å
146H33.6Very low38.5Very low132 Ų13272.9 Ų72.961%0.61136%0.364SS*.THydrogen-bonded Turntrans-55.2-16.9-174.2-171-79.9000114.9H116H116-H146 PolarHBondContact O-N 3.35Å
147N36.4Very low38.2Very low148 Ų14873.8 Ų73.879%0.79136%0.36SS*.THydrogen-bonded Turntrans-126.922.6-178.3-61.6-10.5000113.3K145K145-N147 PolarHBondContact O-N 3.01Å
148K38.3Very low38Very low110 Ų11070.7 Ų70.748%0.47834%0.344SS..  trans-133.1132.2175-67.6-168.4176.1-169.30109.9K145 D150K145-K148 HydrophobicContact CB-CB 4.4Å; K145-K148 PolarHBondContact O-N 2.92Å; K148-D150 PolarHBondContact O-N 2.97Å
149D35.1Very low37.5Very low134 Ų13470.2 Ų70.272%0.71735%0.349SS*.SBendtrans-72.2-18.7172.8-69.5-36.5000111.7
150D36.1Very low37.1Very low121 Ų12174.4 Ų74.465%0.64737%0.371SS*.SBendtrans-78.9125.3177-56.7-31.4000111.9K148K148-D150 PolarHBondContact O-N 2.97Å
151C33.4Very low36.5Very low81 Ų8178.4 Ų78.455%0.54739%0.389SS..EExtended strand (participates in β ladder)trans-76.2129.7164-69.20000109.4
152Q37.7Very low35.7Very low59 Ų5986.6 Ų86.628%0.27642%0.421SS..EExtended strand (participates in β ladder)trans-91.8121.8169.3-65-170.4-44.900108.6V143 Y154V143-Q152 PolarHBondContact N-O 3.36Å; V143-Q152 PolarHBondContact O-N 2.95Å; Q152-Y154 HydrophobicContact CB-CD2 4.35Å; Q152-Y154 HydrophobicContact CB-CE2 3.54Å; Q152-Y154 PolarHBondContact OE1-OH 3.39Å
153H43.8Very low35.2Very low98 Ų9891.3 Ų91.345%0.45444%0.437SS..EExtended strand (participates in β ladder)trans-89.5127.9173.7-179.6-112.8000109.3D140 F142D140-H153 VanDerWaalsContact CG-NE2 3.31Å; D140-H153 IonicContact OD1-CE1 3.35Å; D140-H153 PolarHBondContact OD1-CE1 3.45Å; D140-H153 IonicContact OD1-NE2 3.03Å; D140-H153 PolarHBondContact OD1-NE2 3.44Å; F142-H153 HydrophobicContact CD1-CB 4.39Å; F142-H153 AromaticContact CD1-CD2 3.74Å; F142-H153 HydrophobicContact CE1-CB 4.32Å; F142-H153 AromaticContact CE1-CD2 3.25Å; F142-H153 WeakPolarHBondContact CE1-CD2 3.18Å; F142-H153 AromaticContact CE2-CD2 3.97Å; F142-H153 AromaticContact CZ-CD2 3.36Å; F142-H153 WeakPolarHBondContact CZ-CD2 3.47Å; F142-H153 AromaticContact CZ-NE2 3.75Å
154Y42.4Very low34.7Very low77 Ų7796.2 Ų96.230%0.30246%0.462SS..EExtended strand (participates in β ladder)trans-12093.8171.9-61.6-90.3000106.7L141 V143 Q152 T184L141-Y154 HydrophobicContact CD2-CD2 4.15Å; L141-Y154 HydrophobicContact CD2-CG 4.28Å; L141-Y154 HydrophobicContact CG-CD2 4.38Å; L141-Y154 PolarHBondContact N-O 3.39Å; L141-Y154 PolarHBondContact O-N 3.21Å; V143-Y154 HydrophobicContact CB-CD2 4.4Å; V143-Y154 HydrophobicContact CB-CE2 4.02Å; V143-Y154 HydrophobicContact CG2-CD2 3.89Å; V143-Y154 HydrophobicContact CG2-CE2 3.85Å; Q152-Y154 HydrophobicContact CB-CD2 4.35Å; Q152-Y154 HydrophobicContact CB-CE2 3.54Å; Q152-Y154 PolarHBondContact OE1-OH 3.39Å; Y154-T184 HydrophobicContact CD1-CG2 4.05Å
155G37.6Very low34.5Very low8 Ų898 Ų988%0.08248%0.48CS..EExtended strand (participates in β ladder)trans-85.6134.4167.900000108.9
156G36.7Very low34.2Very low2 Ų2101.7 Ų101.72%0.02150%0.499CS..EExtended strand (participates in β ladder)trans-148.7148.117800000111.7M139M139-G156 PolarHBondContact N-O 2.96Å; M139-G156 VanDerWaalsContact N-O 3.13Å; M139-G156 PolarHBondContact O-N 3.26Å; M139-G156 VanDerWaalsContact O-N 3.17Å
157Y35.3Very low34.1Very low131 Ų131105.1 Ų105.151%0.51451%0.512SS..EExtended strand (participates in β ladder)trans-89.7126.1165.1-64.6-86.5000107.4F138 L185F138-Y157 HydrophobicContact CB-CD1 4.49Å; F138-Y157 HydrophobicContact CB-CE1 4.4Å; F138-Y157 AromaticContact CD2-CD1 3.79Å; F138-Y157 HydrophobicContact CD2-CD1 3.79Å; F138-Y157 HydrophobicContact CD2-CD2 4.27Å; F138-Y157 AromaticContact CD2-CE1 3.53Å; F138-Y157 HydrophobicContact CD2-CE1 3.53Å; F138-Y157 HydrophobicContact CD2-CE2 4.04Å; F138-Y157 HydrophobicContact CD2-CG 4.16Å; F138-Y157 AromaticContact CD2-CZ 3.67Å; F138-Y157 HydrophobicContact CE2-CD2 4.41Å; F138-Y157 HydrophobicContact CE2-CE1 4.25Å; F138-Y157 AromaticContact CE2-CE2 3.99Å; F138-Y157 HydrophobicContact CE2-CE2 3.99Å; F138-Y157 AromaticContact CE2-CZ 3.9Å; F138-Y157 HydrophobicContact CG-CE1 4.36Å; Y157-L185 HydrophobicContact CD2-CD1 4.42Å; Y157-L185 HydrophobicContact CE2-CD1 4.09Å
158S37.4Very low33.8Very low14 Ų14103.2 Ų103.210%0.09851%0.505CS..EExtended strand (participates in β ladder)trans-88.9108.9165.795.70000107.6D137D137-S158 PolarHBondContact O-N 3.04Å
159S29.9Very low33.5Very low53 Ų5398.9 Ų98.937%0.37149%0.489SS..  trans-92.8120.2163.169.10000108E161S159-E161 PolarHBondContact O-N 2.95Å
160L31.4Very low33.3Very low121 Ų12195.5 Ų95.563%0.63447%0.474SS*.  trans-69.977.9168.5-95.9137000109.4
161E27.5Very low33Very low98 Ų9893 Ų9346%0.45846%0.457SS..  trans-81.9117168.1-79.5-164.9166.500110S159 R163S159-E161 PolarHBondContact O-N 2.95Å; E161-R163 VanDerWaalsContact C-N 3.29Å; E161-R163 HydrophobicContact CB-CG 4.44Å; E161-R163 PolarHBondContact O-N 2.79Å; E161-R163 IonicContact OE2-CZ 3.18Å; E161-R163 IonicContact OE2-NE 2.78Å; E161-R163 PolarHBondContact OE2-NE 3.16Å; E161-R163 IonicContact OE2-NH2 2.8Å; E161-R163 PolarHBondContact OE2-NH2 2.87Å
162Y26.3Very low32.9Very low187 Ų18791.1 Ų91.173%0.73345%0.445SS*.  trans-66.388.1163.9-111.8-80.9000108.7Q178Y162-Q178 HydrophobicContact CE1-CG 4.17Å; Y162-Q178 HydrophobicContact CE2-CG 4.08Å
163R27.9Very low32.4Very low171 Ų17197.5 Ų97.565%0.64547%0.468SS*.  trans-98.3133.2168.1-77.9-169.8-168.6-172.65.4111E161E161-R163 VanDerWaalsContact C-N 3.29Å; E161-R163 HydrophobicContact CB-CG 4.44Å; E161-R163 PolarHBondContact O-N 2.79Å; E161-R163 IonicContact OE2-CZ 3.18Å; E161-R163 IonicContact OE2-NE 2.78Å; E161-R163 PolarHBondContact OE2-NE 3.16Å; E161-R163 IonicContact OE2-NH2 2.8Å; E161-R163 PolarHBondContact OE2-NH2 2.87Å
164N30.4Very low31.7Very low124 Ų124101.1 Ų101.166%0.66349%0.485SS*.  trans-49.2123.4177.4-154.218.4000109.7E166N164-E166 PolarHBondContact O-N 3.33Å
165P30.9Very low31Very low100 Ų100107.2 Ų107.265%0.64952%0.516SS*.THydrogen-bonded Turntrans-75.228.1-165.230.2-35.9000114.9K167P165-K167 PolarHBondContact O-N 3.39Å
166E29.8Very low30.8Very low167 Ų167110.3 Ų110.378%0.7853%0.53SS*.THydrogen-bonded Turntrans-73.1-8.9-177.9-69.1-174.817100113.7N164N164-E166 PolarHBondContact O-N 3.33Å
167K31.7Very low30.4Very low203 Ų203115.8 Ų115.888%0.88356%0.563SS**SBendtrans-101.887.4161.9-74-172.5177.8-176.70108.9P165 C169P165-K167 PolarHBondContact O-N 3.39Å; K167-C169 PolarHBondContact O-N 3.4Å; K167-C169 VanDerWaalsContact O-N 3.12Å
168V31.2Very low30.2Very low109 Ų109113.9 Ų113.966%0.66156%0.559SS**  trans-58.5111.6179.4-177.50000109.3P170V168-P170 WeakPolarHBondContact O-CD 3.38Å
169C30.7Very low29.8Very low19 Ų19116.3 Ų116.313%0.12858%0.575CS.*  trans-58.2119.9161.9-164.40000106.4K167 F171 C172K167-C169 PolarHBondContact O-N 3.4Å; K167-C169 VanDerWaalsContact O-N 3.12Å; C169-F171 PolarHBondContact O-N 3.46Å; C169-C172 HydrophobicContact CB-CB 4.47Å; C169-C172 PolarHBondContact O-N 3.39Å
170P30.6Very low30Very low63 Ų63114.4 Ų114.441%0.40956%0.562SS.*THydrogen-bonded Turntrans-65.2-0.1-16923.2-32.3000114.4V168 Y173V168-P170 WeakPolarHBondContact O-CD 3.38Å; P170-Y173 WeakPolarHBondContact O-CD2 3.45Å; P170-Y173 WeakPolarHBondContact O-CE2 3.49Å
171F31.2Very low30.1Very low68 Ų68113.2 Ų113.230%0.29856%0.555SS.*THydrogen-bonded Turntrans-112.4-4.4178.4-65-76.2000114.2W39 R41 V60 C169 Y173W39-F171 HydrophobicContact CB-CE2 4.15Å; W39-F171 HydrophobicContact CB-CZ 4.09Å; R41-F171 HydrophobicContact CG-CE1 3.66Å; R41-F171 HydrophobicContact CG-CZ 3.92Å; V60-F171 HydrophobicContact CG1-CD2 4.09Å; V60-F171 HydrophobicContact CG1-CE2 4.03Å; V60-F171 HydrophobicContact CG2-CD2 3.79Å; V60-F171 HydrophobicContact CG2-CE2 4.45Å; V60-F171 HydrophobicContact CG2-CG 4.4Å; C169-F171 PolarHBondContact O-N 3.46Å; F171-Y173 PolarHBondContact O-N 3.11Å
172C31.4Very low30.4Very low41 Ų41109.9 Ų109.928%0.27754%0.539SS..  trans-81.861.6170.8-65.10000110.1C169C169-C172 HydrophobicContact CB-CB 4.47Å; C169-C172 PolarHBondContact O-N 3.39Å
173Y26.3Very low30.5Very low194 Ų194109 Ų10976%0.76154%0.541SS*.  trans-88.1123.8165.6-82.7-91.5000107.6P170 F171P170-Y173 WeakPolarHBondContact O-CD2 3.45Å; P170-Y173 WeakPolarHBondContact O-CE2 3.49Å; F171-Y173 PolarHBondContact O-N 3.11Å
174E28.8Very low30.7Very low174 Ų174104.2 Ų104.281%0.81353%0.531SS*.SBendtrans85.3101.8179.3-56.1-177.8159.900115.9I176E174-I176 WeakPolarHBondContact O-CG1 3.37Å; E174-I176 PolarHBondContact O-N 3.01Å
175E28.3Very low30.7Very low204 Ų204104.4 Ų104.495%0.95353%0.531SS*.  trans32.471.3160.8-65.6-172.1163.300117.9
176I32.5Very low30.6Very low73 Ų73108.8 Ų108.837%0.37456%0.564SS.*  trans-132.2117.6169.3-41.4-167.1000110.8V71 T72 E174V71-I176 WeakPolarHBondContact O-CG2 3.26Å; T72-I176 HydrophobicContact CG2-CD1 3.21Å; T72-I176 HydrophobicContact CG2-CG2 4.35Å; E174-I176 WeakPolarHBondContact O-CG1 3.37Å; E174-I176 PolarHBondContact O-N 3.01Å
177T28.1Very low30.6Very low118 Ų118105.9 Ų105.972%0.72455%0.553SS**  trans-86.2122.3174.446.60000110
178Q32.8Very low30.6Very low90 Ų90100.7 Ų100.742%0.42154%0.536SS..  trans101.1124.6173.6-57.8175.9-43.900116.1Y162Y162-Q178 HydrophobicContact CE1-CG 4.17Å; Y162-Q178 HydrophobicContact CE2-CG 4.08Å
179C28.4Very low30.6Very low66 Ų66100.3 Ų100.345%0.44653%0.529SS..EExtended strand (participates in β ladder)trans-125.1138.4170.1-70.50000108.2
180S34Very low30.5Very low13 Ų13105.1 Ų105.19%0.09155%0.553CS.*EExtended strand (participates in β ladder)trans-116.5137.1173.450.60000110.6S69S69-S180 PolarHBondContact N-O 3.45Å; S69-S180 PolarHBondContact O-N 2.84Å; S69-S180 PolarHBondContact OG-OG 3.01Å
181I32.3Very low30.5Very low96 Ų96107.7 Ų107.749%0.49256%0.562SS.*EExtended strand (participates in β ladder)trans-97.3137.8176.5-61.5171.5000107.6
182W35.4Very low30.5Very low28 Ų28110.3 Ų110.311%0.10658%0.579CS.*EExtended strand (participates in β ladder)trans-103.9123.7174.5-70.664.7000109.7F59 S69 M139F59-W182 HydrophobicContact CE1-CZ2 4.01Å; F59-W182 HydrophobicContact CZ-CZ2 4.26Å; S69-W182 PolarHBondContact OG-NE1 3.3Å; M139-W182 HydrophobicContact CB-CH2 3.24Å; M139-W182 HydrophobicContact CB-CZ2 4.36Å; M139-W182 HydrophobicContact CB-CZ3 3.6Å; M139-W182 HydrophobicContact CE-CZ2 4.37Å; M139-W182 HydrophobicContact CG-CH2 3.69Å; M139-W182 HydrophobicContact CG-CZ2 4.42Å; M139-W182 HydrophobicContact CG-CZ3 4.45Å; M139-W182 HydrophobicContact SD-CH2 3.49Å; M139-W182 WeakPolarHBondContact SD-CH2 3.27Å; M139-W182 HydrophobicContact SD-CZ2 3.8Å
183E28.8Very low30.4Very low167 Ų167115.3 Ų115.378%0.7860%0.601SS**EExtended strand (participates in β ladder)trans-90124.3165.5-70.2-174.7169.900108.6
184T31.3Very low30.8Very low72 Ų72109.2 Ų109.244%0.44259%0.588SS.*EExtended strand (participates in β ladder)trans-85.3130.4175.645.40000109.7Y154Y154-T184 HydrophobicContact CD1-CG2 4.05Å
185L30.1Very low30.9Very low128 Ų128103.8 Ų103.867%0.6757%0.57SS**  trans-88.3111.9166.1-74.3163.9000108Y157Y157-L185 HydrophobicContact CD2-CD1 4.42Å; Y157-L185 HydrophobicContact CE2-CD1 4.09Å
186S29Very low31.2Very low191 Ų19194.7 Ų94.7100%1.33654%0.535SS*.  trans-66.8017765.10000113.3

Retrieved 186 of 186 residues in 42.5 ms (Link to these results)

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