A0A3Q0KPD1_SCHMA Loading...

Chitinase domain-containing protein 1

AlphaFold DB , UniProt , Accession A0A3Q0KPD1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 390 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
1M36.7Very low50.6Low255 Ų255146.4 Ų146.4100%1.25677%0.768SS**  0130.90-125.1166.715700107.7
2G39.7Very low52.6Low71 Ų71138 Ų13873%0.73274%0.743SS**  trans14068.7167.700000117.3
3N40.7Very low54.6Low150 Ų150135.8 Ų135.880%0.80272%0.723SS**  trans48.6100.3145-64-12.5000120.3L5N3-L5 PolarHBondContact O-N 3.29Å
4K42.3Very low56.5Low210 Ų210131.6 Ų131.691%0.91370%0.7SS**  trans-60.6102.1149.7-75.3-178176.4-179.60108.7K6K4-K6 PolarHBondContact O-N 3.25Å
5L40.4Very low58.2Low163 Ų163129.9 Ų129.985%0.85369%0.69SS**  trans-62.297.4169.6-124.184.4000108.5N3 S7N3-L5 PolarHBondContact O-N 3.29Å; L5-S7 PolarHBondContact O-N 2.89Å
6K44Very low59.7Low160 Ų160129.4 Ų129.470%0.69668%0.68SS**  trans-73.9101.1161.3-79.8-176.3175.6-179.20106.7K4 Y8K4-K6 PolarHBondContact O-N 3.25Å; K6-Y8 HydrophobicContact CB-CD2 4.1Å; K6-Y8 HydrophobicContact CB-CE2 3.74Å; K6-Y8 HydrophobicContact CD-CE2 4.24Å; K6-Y8 WeakPolarHBondContact O-CD2 3.46Å; K6-Y8 PolarHBondContact O-N 3.11Å
7S52.2Low61Low102 Ų102126 Ų12671%0.71366%0.662SS**  trans-65.797169.8-177.10000108.6L5 I9L5-S7 PolarHBondContact O-N 2.89Å; S7-I9 PolarHBondContact O-N 3.44Å
8Y52.4Low62.2Low192 Ų192123.6 Ų123.675%0.75365%0.649SS**  trans-81.396.8166.1-75.8-87.3000107.2K6 S10K6-Y8 HydrophobicContact CB-CD2 4.1Å; K6-Y8 HydrophobicContact CB-CE2 3.74Å; K6-Y8 HydrophobicContact CD-CE2 4.24Å; K6-Y8 WeakPolarHBondContact O-CD2 3.46Å; K6-Y8 PolarHBondContact O-N 3.11Å; Y8-S10 PolarHBondContact O-N 3.03Å
9I60.8Low62.8Low102 Ų102122.9 Ų122.952%0.52364%0.64SS.*  trans-64.3117.3165.9-60.6177.4000106.5S7 F13 I14S7-I9 PolarHBondContact O-N 3.44Å; I9-F13 HydrophobicContact CG2-CB 3.94Å; I9-F13 HydrophobicContact CG2-CD1 3.62Å; I9-F13 HydrophobicContact CG2-CG 4.21Å; I9-I14 HydrophobicContact CG2-CD1 4.5Å; I9-I14 HydrophobicContact CG2-CG1 3.91Å
10S70.3Confident63.6Low75 Ų75120.4 Ų120.452%0.52463%0.63SS.*  trans-67.2146.8-179.276.60000110.5Y8 G12 F13 I14Y8-S10 PolarHBondContact O-N 3.03Å; S10-G12 PolarHBondContact O-N 3.12Å; S10-F13 WeakPolarHBondContact O-CB 3.21Å; S10-F13 PolarHBondContact O-N 3.11Å; S10-F13 PolarHBondContact OG-N 3.06Å; S10-I14 PolarHBondContact O-N 2.75Å
11L77Confident64.3Low130 Ų130118.9 Ų118.968%0.68162%0.622SS**Hα-helixtrans-52.3-32.1175.4-172.368.4000112.1I14 L15L11-I14 PolarHBondContact O-N 2.68Å; L11-L15 HydrophobicContact CG-CD1 4.39Å; L11-L15 WeakPolarHBondContact O-CG 3.15Å; L11-L15 PolarHBondContact O-N 3.35Å
12G74.8Confident66.2Low46 Ų46111.7 Ų111.747%0.47459%0.587SS.*Hα-helixtrans-63.7-37.1175.800000113.7S10 F16S10-G12 PolarHBondContact O-N 3.12Å; G12-F16 PolarHBondContact O-N 2.9Å
13F79.1Confident67.8Low109 Ų109112 Ų11248%0.47857%0.572SS.*Hα-helixtrans-70.6-38.1176.5-167.4-104.1000111.7I9 S10 F16 I17I9-F13 HydrophobicContact CG2-CB 3.94Å; I9-F13 HydrophobicContact CG2-CD1 3.62Å; I9-F13 HydrophobicContact CG2-CG 4.21Å; S10-F13 WeakPolarHBondContact O-CB 3.21Å; S10-F13 PolarHBondContact O-N 3.11Å; S10-F13 PolarHBondContact OG-N 3.06Å; F13-F16 PolarHBondContact O-N 3.34Å; F13-I17 HydrophobicContact CD1-CD1 3.68Å; F13-I17 HydrophobicContact CD1-CG1 4.4Å; F13-I17 HydrophobicContact CE1-CD1 3.4Å; F13-I17 VanDerWaalsContact CE1-CD1 3.4Å; F13-I17 HydrophobicContact CE1-CG1 4.23Å; F13-I17 HydrophobicContact CZ-CD1 4.14Å; F13-I17 WeakPolarHBondContact O-CG1 3.47Å; F13-I17 PolarHBondContact O-N 3.3Å
14I81.1Confident69.1Low78 Ų78106.9 Ų106.940%0.455%0.55SS..Hα-helixtrans-61.8-46.5174.7-60.6174.5000110.3I9 S10 L11 F16 I17 I18I9-I14 HydrophobicContact CG2-CD1 4.5Å; I9-I14 HydrophobicContact CG2-CG1 3.91Å; S10-I14 PolarHBondContact O-N 2.75Å; L11-I14 PolarHBondContact O-N 2.68Å; I14-F16 VanDerWaalsContact C-N 3.31Å; I14-F16 PolarHBondContact O-N 3.12Å; I14-I17 PolarHBondContact O-N 3.14Å; I14-I18 HydrophobicContact CG2-CD1 3.97Å; I14-I18 WeakPolarHBondContact O-CG1 3.31Å; I14-I18 PolarHBondContact O-N 3.11Å
15L82Confident70.4Confident105 Ų105101.6 Ų101.655%0.5553%0.531SS..Hα-helixtrans-62.6-37.2177-73168.3000112.5L11 I18 K19L11-L15 HydrophobicContact CG-CD1 4.39Å; L11-L15 WeakPolarHBondContact O-CG 3.15Å; L11-L15 PolarHBondContact O-N 3.35Å; L15-I18 PolarHBondContact O-N 3.29Å; L15-K19 WeakPolarHBondContact O-CB 3.38Å; L15-K19 PolarHBondContact O-N 3.19Å
16F81.8Confident71.7Confident122 Ų12297.7 Ų97.754%0.53551%0.511SS..Hα-helixtrans-63.9-45174.6178.1-99.4000112G12 F13 I14 I18 K19 V20G12-F16 PolarHBondContact O-N 2.9Å; F13-F16 PolarHBondContact O-N 3.34Å; I14-F16 VanDerWaalsContact C-N 3.31Å; I14-F16 PolarHBondContact O-N 3.12Å; F16-I18 PolarHBondContact O-N 2.93Å; F16-K19 WeakPolarHBondContact O-CB 3.42Å; F16-K19 PolarHBondContact O-N 3.15Å; F16-V20 HydrophobicContact CD1-CG2 4.4Å; F16-V20 HydrophobicContact CE1-CG2 3.95Å; F16-V20 HydrophobicContact CE2-CG2 4.35Å; F16-V20 HydrophobicContact CZ-CG2 3.93Å; F16-V20 WeakPolarHBondContact O-CG2 3.19Å; F16-V20 PolarHBondContact O-N 3.26Å
17I81.8Confident72.4Confident72 Ų7295.9 Ų95.937%0.36951%0.505SS..Hα-helixtrans-62.1-44.8176.4-70173.9000110.9F13 I14 K19 V20 I21F13-I17 HydrophobicContact CD1-CD1 3.68Å; F13-I17 HydrophobicContact CD1-CG1 4.4Å; F13-I17 HydrophobicContact CE1-CD1 3.4Å; F13-I17 VanDerWaalsContact CE1-CD1 3.4Å; F13-I17 HydrophobicContact CE1-CG1 4.23Å; F13-I17 HydrophobicContact CZ-CD1 4.14Å; F13-I17 WeakPolarHBondContact O-CG1 3.47Å; F13-I17 PolarHBondContact O-N 3.3Å; I14-I17 PolarHBondContact O-N 3.14Å; I17-K19 VanDerWaalsContact C-N 3.26Å; I17-K19 PolarHBondContact O-N 3.27Å; I17-V20 PolarHBondContact O-N 3.02Å; I17-I21 HydrophobicContact CG2-CD1 3.59Å; I17-I21 HydrophobicContact CG2-CG1 4.22Å; I17-I21 WeakPolarHBondContact O-CG1 3.38Å; I17-I21 PolarHBondContact O-N 3.08Å
18I82.8Confident72.6Confident82 Ų8296 Ų9642%0.42150%0.496SS..Hα-helixtrans-57.6-42.4176-69.1168.7000110.5I14 L15 F16 I21 L22I14-I18 HydrophobicContact CG2-CD1 3.97Å; I14-I18 WeakPolarHBondContact O-CG1 3.31Å; I14-I18 PolarHBondContact O-N 3.11Å; L15-I18 PolarHBondContact O-N 3.29Å; F16-I18 PolarHBondContact O-N 2.93Å; I18-I21 PolarHBondContact O-N 3.4Å; I18-L22 HydrophobicContact CG2-CD1 3.73Å; I18-L22 WeakPolarHBondContact O-CB 2.85Å; I18-L22 PolarHBondContact O-N 3.24Å
19K73.7Confident72.7Confident112 Ų11291.2 Ų91.249%0.48749%0.487SS..Hα-helixtrans-60.6-45.8176.7-171.3-177.5-179.9-177.80111.9L15 F16 I17 I23L15-K19 WeakPolarHBondContact O-CB 3.38Å; L15-K19 PolarHBondContact O-N 3.19Å; F16-K19 WeakPolarHBondContact O-CB 3.42Å; F16-K19 PolarHBondContact O-N 3.15Å; I17-K19 VanDerWaalsContact C-N 3.26Å; I17-K19 PolarHBondContact O-N 3.27Å; K19-I23 HydrophobicContact CG-CD1 4.07Å; K19-I23 VanDerWaalsContact O-CG1 3.27Å; K19-I23 WeakPolarHBondContact O-CG1 3.43Å; K19-I23 PolarHBondContact O-N 2.89Å; K19-I23 VanDerWaalsContact O-N 3.1Å
20V77.9Confident72.2Confident72 Ų7289.9 Ų89.944%0.43648%0.478SS..Hα-helixtrans-65.7-42.3178.9174.80000111.1F16 I17 I23 A24F16-V20 HydrophobicContact CD1-CG2 4.4Å; F16-V20 HydrophobicContact CE1-CG2 3.95Å; F16-V20 HydrophobicContact CE2-CG2 4.35Å; F16-V20 HydrophobicContact CZ-CG2 3.93Å; F16-V20 WeakPolarHBondContact O-CG2 3.19Å; F16-V20 PolarHBondContact O-N 3.26Å; I17-V20 PolarHBondContact O-N 3.02Å; V20-I23 PolarHBondContact O-N 3.34Å; V20-A24 VanDerWaalsContact O-CB 3.31Å; V20-A24 WeakPolarHBondContact O-CB 3.44Å; V20-A24 PolarHBondContact O-N 2.91Å
21I79.7Confident71.1Confident89 Ų8990.1 Ų90.146%0.45648%0.479SS..Hα-helixtrans-64.6-43.7178.4-68.5172000111.1I17 I18 I23 A24 L25I17-I21 HydrophobicContact CG2-CD1 3.59Å; I17-I21 HydrophobicContact CG2-CG1 4.22Å; I17-I21 WeakPolarHBondContact O-CG1 3.38Å; I17-I21 PolarHBondContact O-N 3.08Å; I18-I21 PolarHBondContact O-N 3.4Å; I21-I23 PolarHBondContact O-N 3.26Å; I21-A24 PolarHBondContact O-N 2.81Å; I21-L25 HydrophobicContact CG2-CD1 3.62Å; I21-L25 HydrophobicContact CG2-CG 4.12Å; I21-L25 VanDerWaalsContact O-CB 3.31Å; I21-L25 WeakPolarHBondContact O-CB 3.29Å; I21-L25 VanDerWaalsContact O-CG 3.29Å; I21-L25 WeakPolarHBondContact O-CG 3.47Å; I21-L25 PolarHBondContact O-N 3.42Å
22L76.7Confident69.6Low103 Ų10389.3 Ų89.354%0.53948%0.479SS..Hα-helixtrans-61.6-43.9176.4-100.5138.1000112I18 L26I18-L22 HydrophobicContact CG2-CD1 3.73Å; I18-L22 WeakPolarHBondContact O-CB 2.85Å; I18-L22 PolarHBondContact O-N 3.24Å; L22-L26 WeakPolarHBondContact O-CB 3.17Å; L22-L26 WeakPolarHBondContact O-CD1 3.41Å; L22-L26 WeakPolarHBondContact O-CG 3.29Å; L22-L26 PolarHBondContact O-N 3.33Å
23I72.8Confident68.1Low79 Ų7988.8 Ų88.841%0.40547%0.471SS..Hα-helixtrans-64-44.1176.4-66.8167.2000110.4K19 V20 I21 L26 H27K19-I23 HydrophobicContact CG-CD1 4.07Å; K19-I23 VanDerWaalsContact O-CG1 3.27Å; K19-I23 WeakPolarHBondContact O-CG1 3.43Å; K19-I23 PolarHBondContact O-N 2.89Å; K19-I23 VanDerWaalsContact O-N 3.1Å; V20-I23 PolarHBondContact O-N 3.34Å; I21-I23 PolarHBondContact O-N 3.26Å; I23-L26 WeakPolarHBondContact O-CB 3.31Å; I23-L26 PolarHBondContact O-N 3.41Å; I23-H27 PolarHBondContact O-N 2.94Å; I23-H27 PolarHBondContact O-ND1 3.24Å
24A67.9Low66.2Low41 Ų4187.7 Ų87.734%0.33948%0.477SS..Hα-helixtrans-67.7-41.7179.600000112.5V20 I21 L26 H27 I28V20-A24 VanDerWaalsContact O-CB 3.31Å; V20-A24 WeakPolarHBondContact O-CB 3.44Å; V20-A24 PolarHBondContact O-N 2.91Å; I21-A24 PolarHBondContact O-N 2.81Å; A24-L26 VanDerWaalsContact C-N 3.34Å; A24-H27 PolarHBondContact O-N 3.4Å; A24-I28 VanDerWaalsContact O-CG1 3.3Å; A24-I28 WeakPolarHBondContact O-CG1 3.47Å; A24-I28 PolarHBondContact O-N 3.05Å
25L70.2Confident64.1Low99 Ų9992.6 Ų92.652%0.51850%0.498SS..Hα-helixtrans-62.3-42.4175.1-77.2169.8000111I21 I28 T29I21-L25 HydrophobicContact CG2-CD1 3.62Å; I21-L25 HydrophobicContact CG2-CG 4.12Å; I21-L25 VanDerWaalsContact O-CB 3.31Å; I21-L25 WeakPolarHBondContact O-CB 3.29Å; I21-L25 VanDerWaalsContact O-CG 3.29Å; I21-L25 WeakPolarHBondContact O-CG 3.47Å; I21-L25 PolarHBondContact O-N 3.42Å; L25-I28 PolarHBondContact O-N 2.89Å; L25-T29 WeakPolarHBondContact O-CB 3.47Å; L25-T29 WeakPolarHBondContact O-CG2 3.2Å; L25-T29 PolarHBondContact O-N 3.13Å; L25-T29 PolarHBondContact O-OG1 3.33Å
26L66.8Low62.1Low82 Ų8295.9 Ų95.943%0.42951%0.51SS..Hα-helixtrans-53.8-56.4170.1-81.1157.6000109.5L22 I23 A24 I28 T29 F30L22-L26 WeakPolarHBondContact O-CB 3.17Å; L22-L26 WeakPolarHBondContact O-CD1 3.41Å; L22-L26 WeakPolarHBondContact O-CG 3.29Å; L22-L26 PolarHBondContact O-N 3.33Å; I23-L26 WeakPolarHBondContact O-CB 3.31Å; I23-L26 PolarHBondContact O-N 3.41Å; A24-L26 VanDerWaalsContact C-N 3.34Å; L26-I28 PolarHBondContact O-N 2.89Å; L26-T29 PolarHBondContact O-N 2.88Å; L26-T29 PolarHBondContact O-OG1 3.47Å; L26-F30 HydrophobicContact CB-CD2 4.48Å; L26-F30 HydrophobicContact CB-CE2 4.3Å; L26-F30 HydrophobicContact CD2-CE2 3.97Å; L26-F30 WeakPolarHBondContact O-CD2 3.41Å; L26-F30 PolarHBondContact O-N 2.93Å
27H59.6Low60.1Low122 Ų12296.9 Ų96.957%0.56551%0.512SS*.Hα-helixtrans-57.3-43.1179.9-76.176.2000113.6I23 A24 F30 S31I23-H27 PolarHBondContact O-N 2.94Å; I23-H27 PolarHBondContact O-ND1 3.24Å; A24-H27 PolarHBondContact O-N 3.4Å; H27-F30 WeakPolarHBondContact O-CB 3.49Å; H27-F30 PolarHBondContact O-N 2.7Å; H27-S31 PolarHBondContact O-N 2.85Å; H27-S31 PolarHBondContact O-OG 2.9Å
28I54.8Low58.3Low103 Ų103101 Ų10153%0.52853%0.534SS..Hα-helixtrans-68-43.4-179.7-67.6164.9000111A24 L25 L26 F30 S31 V32A24-I28 VanDerWaalsContact O-CG1 3.3Å; A24-I28 WeakPolarHBondContact O-CG1 3.47Å; A24-I28 PolarHBondContact O-N 3.05Å; L25-I28 PolarHBondContact O-N 2.89Å; L26-I28 PolarHBondContact O-N 2.89Å; I28-F30 PolarHBondContact O-N 3.42Å; I28-S31 PolarHBondContact O-N 3.01Å; I28-V32 HydrophobicContact CG2-CG2 4.38Å; I28-V32 WeakPolarHBondContact O-CG2 3.4Å; I28-V32 PolarHBondContact O-N 2.74Å
29T54.6Low56.8Low92 Ų92106.4 Ų106.456%0.56456%0.558SS**Hα-helixtrans-61.2-29.6173.955.70000112.1L25 L26L25-T29 WeakPolarHBondContact O-CB 3.47Å; L25-T29 WeakPolarHBondContact O-CG2 3.2Å; L25-T29 PolarHBondContact O-N 3.13Å; L25-T29 PolarHBondContact O-OG1 3.33Å; L26-T29 PolarHBondContact O-N 2.88Å; L26-T29 PolarHBondContact O-OG1 3.47Å
30F50.6Low56.1Low75 Ų75107.2 Ų107.233%0.32957%0.565SS.*Hα-helixtrans-75.7-40.7173.1-75.3-66.9000113.1L26 H27 I28 A33L26-F30 HydrophobicContact CB-CD2 4.48Å; L26-F30 HydrophobicContact CB-CE2 4.3Å; L26-F30 HydrophobicContact CD2-CE2 3.97Å; L26-F30 WeakPolarHBondContact O-CD2 3.41Å; L26-F30 PolarHBondContact O-N 2.93Å; H27-F30 WeakPolarHBondContact O-CB 3.49Å; H27-F30 PolarHBondContact O-N 2.7Å; I28-F30 PolarHBondContact O-N 3.42Å; F30-A33 PolarHBondContact O-N 2.84Å
31S48.2Very low56Low80 Ų80105.6 Ų105.656%0.55956%0.559SS**Hα-helixtrans-68.7-35.1177.9-70.30000113.4H27 I28 A33 S34H27-S31 PolarHBondContact O-N 2.85Å; H27-S31 PolarHBondContact O-OG 2.9Å; I28-S31 PolarHBondContact O-N 3.01Å; S31-A33 PolarHBondContact O-N 3.23Å; S31-S34 PolarHBondContact O-N 3.2Å; S31-S34 PolarHBondContact O-OG 2.81Å
32V44.2Very low56.2Low112 Ų112104.7 Ų104.768%0.67955%0.55SS**Hα-helixtrans-71.1-22.2176.41780000111.4I28 S34I28-V32 HydrophobicContact CG2-CG2 4.38Å; I28-V32 WeakPolarHBondContact O-CG2 3.4Å; I28-V32 PolarHBondContact O-N 2.74Å; V32-S34 VanDerWaalsContact C-N 3.27Å; V32-S34 PolarHBondContact O-N 3.36Å
33A44.1Very low56.8Low36 Ų36100.4 Ų100.430%0.29853%0.53SS..THydrogen-bonded Turntrans-75.3-11.8175.100000113.8F30 S31F30-A33 PolarHBondContact O-N 2.84Å; S31-A33 PolarHBondContact O-N 3.23Å
34S38.6Very low57.8Low86 Ų86100.2 Ų100.260%0.60153%0.532SS*.THydrogen-bonded Turntrans-94.82.2-17064.40000116.2S31 V32 E36S31-S34 PolarHBondContact O-N 3.2Å; S31-S34 PolarHBondContact O-OG 2.81Å; V32-S34 VanDerWaalsContact C-N 3.27Å; V32-S34 PolarHBondContact O-N 3.36Å; S34-E36 PolarHBondContact O-N 2.65Å
35E38.3Very low59.1Low181 Ų181101 Ų10185%0.84653%0.534SS*.SBendtrans-81.9-4.2-173.9-87.2-175.6170.500116.2
36E38.7Very low60.4Low173 Ų17398.6 Ų98.681%0.80852%0.523SS*.SBendtrans-15220.8-179-130.3177.1-163.900118.4S34S34-E36 PolarHBondContact O-N 2.65Å
37Y39.8Very low61.9Low144 Ų14498 Ų9857%0.56552%0.519SS*.SBendtrans-134.8124-179.6-71.7-81.6000112.1E39 Y64Y37-E39 PolarHBondContact O-N 3.31Å; Y37-Y64 PolarHBondContact OH-OH 3.05Å
38D45.2Very low63.7Low159 Ų15998.7 Ų98.785%0.8553%0.526SS*.THydrogen-bonded Turntrans-16.2114.3161.6-162.716.1000111.1M40D38-M40 PolarHBondContact O-N 2.91Å
39E50.7Low65.7Low195 Ų19595.1 Ų95.191%0.91151%0.508SS*.THydrogen-bonded Turntrans-41.674.3-163.3-69.5-178.6164.700114.2Y37 A41Y37-E39 PolarHBondContact O-N 3.31Å; E39-A41 VanDerWaalsContact C-N 3.34Å; E39-A41 PolarHBondContact O-N 2.91Å
40M59.5Low67.7Low129 Ų12995.2 Ų95.264%0.63551%0.505SS*.  trans-76.396.1174.5-88.7-160.2141.300106D38 Y42D38-M40 PolarHBondContact O-N 2.91Å; M40-Y42 HydrophobicContact CB-CE2 4.44Å; M40-Y42 VanDerWaalsContact O-CD2 3.3Å; M40-Y42 WeakPolarHBondContact O-CD2 3.48Å; M40-Y42 PolarHBondContact O-N 2.86Å
41A75.2Confident69.9Low38 Ų3892.7 Ų92.731%0.31450%0.495SS..  trans-56.4103.6169.400000108.8E39 L53 S57E39-A41 VanDerWaalsContact C-N 3.34Å; E39-A41 PolarHBondContact O-N 2.91Å; A41-L53 HydrophobicContact CB-CD1 3.8Å; A41-S57 WeakPolarHBondContact O-CA 3.08Å; A41-S57 WeakPolarHBondContact O-CB 3.43Å
42Y84.8Confident72.2Confident69 Ų6993.4 Ų93.427%0.27149%0.492SS..  trans-76.7137.6174.1-73.5-72.9000109.9M40 V44M40-Y42 HydrophobicContact CB-CE2 4.44Å; M40-Y42 VanDerWaalsContact O-CD2 3.3Å; M40-Y42 WeakPolarHBondContact O-CD2 3.48Å; M40-Y42 PolarHBondContact O-N 2.86Å; Y42-V44 PolarHBondContact O-N 2.96Å
43A89.3Confident74.6Confident13 Ų1391.8 Ų91.811%0.10748%0.479CS..  trans-69.1128.1174.900000109.3S60 L357A43-S60 PolarHBondContact N-OG 2.98Å; A43-L357 HydrophobicContact CB-CD2 3.65Å; A43-L357 WeakPolarHBondContact O-CD2 3.34Å
44V92.5Very high77.1Confident75 Ų7591 Ų9146%0.45547%0.469SS..  trans-112.5141.8173-620000109.8Y42 T46Y42-V44 PolarHBondContact O-N 2.96Å; V44-T46 PolarHBondContact O-N 2.74Å; V44-T46 VanDerWaalsContact O-N 3.11Å
45P96.1Very high79.9Confident57 Ų5788.7 Ų88.737%0.3745%0.45SS..  trans-55.4116.5170.6-2533.7000111L357 M358 A361 L389P45-L357 HydrophobicContact CG-CD2 4.28Å; P45-L357 HydrophobicContact CG-CG 4.1Å; P45-M358 HydrophobicContact CB-CB 4.43Å; P45-M358 HydrophobicContact CB-SD 3.79Å; P45-A361 HydrophobicContact CB-CB 3.97Å; P45-A361 HydrophobicContact CG-CB 3.89Å; P45-L389 HydrophobicContact CG-CD2 4.25Å
46T97.3Very high82.7Confident50 Ų5087.5 Ų87.531%0.30744%0.442SS..  trans-138.8141.8178.6-179.20000112V44 N48 I49 H338 M358V44-T46 PolarHBondContact O-N 2.74Å; V44-T46 VanDerWaalsContact O-N 3.11Å; T46-N48 VanDerWaalsContact CG2-O 3.3Å; T46-N48 WeakPolarHBondContact CG2-O 3.29Å; T46-N48 PolarHBondContact OG1-N 3.37Å; T46-N48 VanDerWaalsContact OG1-N 3.11Å; T46-N48 PolarHBondContact OG1-O 3.11Å; T46-I49 HydrophobicContact CG2-CG1 4.28Å; T46-H338 PolarHBondContact O-CE1 2.85Å; T46-M358 VanDerWaalsContact O-CB 3.23Å; T46-M358 WeakPolarHBondContact O-CB 3.5Å
47E97.7Very high85.4Confident70 Ų7079.5 Ų79.533%0.32741%0.405SS..SBendtrans-74.6-32.4170.3-56.3-169162.200111.1W331 H338 M358E47-W331 HydrophobicContact CB-CB 4.1Å; E47-W331 HydrophobicContact CB-CD2 4.38Å; E47-W331 HydrophobicContact CB-CG 3.8Å; E47-W331 HydrophobicContact CG-CD2 4.25Å; E47-W331 HydrophobicContact CG-CG 4.01Å; E47-W331 PolarHBondContact OE1-NE1 2.87Å; E47-H338 PolarHBondContact O-NE2 3.37Å; E47-M358 HydrophobicContact CG-CE 3.57Å; E47-M358 HydrophobicContact CG-CG 4.32Å
48N97.5Very high88Confident136 Ų13674.1 Ų74.173%0.72739%0.385SS*.SBendtrans-101100.4-179-57.1-56000108.7T46T46-N48 VanDerWaalsContact CG2-O 3.3Å; T46-N48 WeakPolarHBondContact CG2-O 3.29Å; T46-N48 PolarHBondContact OG1-N 3.37Å; T46-N48 VanDerWaalsContact OG1-N 3.11Å; T46-N48 PolarHBondContact OG1-O 3.11Å
49I97.4Very high90.3Very high27 Ų2769.2 Ų69.214%0.13836%0.363CS..  trans-84.8117179.8-68.7176.8000109T46 I51 F54 F329 T356T46-I49 HydrophobicContact CG2-CG1 4.28Å; I49-I51 HydrophobicContact CG2-CD1 4.37Å; I49-F54 HydrophobicContact CG2-CB 3.86Å; I49-F54 HydrophobicContact CG2-CG 4.16Å; I49-F329 HydrophobicContact CB-CB 4.02Å; I49-F329 HydrophobicContact CB-CG 4.32Å; I49-F329 HydrophobicContact CD1-CB 3.99Å; I49-F329 HydrophobicContact CD1-CD1 3.79Å; I49-F329 HydrophobicContact CD1-CE1 4.47Å; I49-F329 HydrophobicContact CD1-CG 3.94Å; I49-F329 HydrophobicContact CG1-CB 4.43Å; I49-F329 HydrophobicContact CG2-CB 4.47Å; I49-F329 HydrophobicContact CG2-CD2 4.12Å; I49-F329 HydrophobicContact CG2-CG 4.27Å; I49-T356 HydrophobicContact CD1-CG2 3.62Å
50D96.7Very high92.3Very high94 Ų9460.6 Ų60.650%0.50332%0.324SS..  trans-83.5125.6161.4178.9-87.1000108.9D52 L53 F54D50-D52 PolarHBondContact OD1-N 3.46Å; D50-D52 VanDerWaalsContact OD1-N 3.15Å; D50-L53 HydrophobicContact CB-CB 4.08Å; D50-L53 PolarHBondContact O-N 3.11Å; D50-L53 WeakPolarHBondContact OD1-CB 3.19Å; D50-L53 PolarHBondContact OD1-N 3.11Å; D50-F54 VanDerWaalsContact O-CB 3.26Å; D50-F54 WeakPolarHBondContact O-CB 3.44Å; D50-F54 PolarHBondContact O-N 2.96Å
51I97Very high93.9Very high22 Ų2257.7 Ų57.711%0.11331%0.307CS..Hα-helixtrans-67.1-40.4-172.8-64.2-65.5000111.6I49 L53 F54 L55 P327 F329I49-I51 HydrophobicContact CG2-CD1 4.37Å; I51-L53 PolarHBondContact O-N 3.39Å; I51-F54 PolarHBondContact O-N 3.5Å; I51-L55 HydrophobicContact CG2-CD1 3.74Å; I51-L55 HydrophobicContact CG2-CG 4.08Å; I51-L55 WeakPolarHBondContact O-CB 3.47Å; I51-L55 VanDerWaalsContact O-CG 3.24Å; I51-L55 WeakPolarHBondContact O-CG 3.37Å; I51-L55 PolarHBondContact O-N 3.43Å; I51-P327 WeakPolarHBondContact CD1-O 3.42Å; I51-F329 HydrophobicContact CD1-CD2 3.55Å; I51-F329 HydrophobicContact CD1-CE2 3.42Å; I51-F329 VanDerWaalsContact CD1-CE2 3.42Å
52D95.5Very high94.6Very high96 Ų9658.2 Ų58.251%0.51330%0.304SS..Hα-helixtrans-65.4-43.5-179.3-72.8-24.7000110.8D50 L55 K56D50-D52 PolarHBondContact OD1-N 3.46Å; D50-D52 VanDerWaalsContact OD1-N 3.15Å; D52-L55 PolarHBondContact O-N 3.19Å; D52-K56 WeakPolarHBondContact O-CB 3.29Å; D52-K56 VanDerWaalsContact O-CG 3.26Å; D52-K56 WeakPolarHBondContact O-CG 3.46Å; D52-K56 PolarHBondContact O-N 3.3Å
53L95.4Very high94.8Very high77 Ų7761 Ų6140%0.40332%0.318SS..Hα-helixtrans-65.6-41.3175.1-177.260.2000111.8A41 D50 I51 K56 S57A41-L53 HydrophobicContact CB-CD1 3.8Å; D50-L53 HydrophobicContact CB-CB 4.08Å; D50-L53 PolarHBondContact O-N 3.11Å; D50-L53 WeakPolarHBondContact OD1-CB 3.19Å; D50-L53 PolarHBondContact OD1-N 3.11Å; I51-L53 PolarHBondContact O-N 3.39Å; L53-K56 PolarHBondContact O-N 3.26Å; L53-S57 VanDerWaalsContact O-CB 3.25Å; L53-S57 WeakPolarHBondContact O-CB 3.42Å; L53-S57 PolarHBondContact O-N 2.83Å; L53-S57 PolarHBondContact O-OG 3.35Å
54F96.7Very high94.7Very high21 Ų2166.6 Ų66.69%0.09234%0.337CS..Hα-helixtrans-60.1-46.8176.4176-116000111.3I49 D50 I51 K56 S57 H58 V318 I319 A322 F329 L383I49-F54 HydrophobicContact CG2-CB 3.86Å; I49-F54 HydrophobicContact CG2-CG 4.16Å; D50-F54 VanDerWaalsContact O-CB 3.26Å; D50-F54 WeakPolarHBondContact O-CB 3.44Å; D50-F54 PolarHBondContact O-N 2.96Å; I51-F54 PolarHBondContact O-N 3.5Å; F54-K56 VanDerWaalsContact C-N 3.3Å; F54-K56 PolarHBondContact O-N 3.09Å; F54-S57 PolarHBondContact O-N 3.27Å; F54-H58 HydrophobicContact CE2-CB 4.46Å; F54-H58 WeakPolarHBondContact O-CB 3.49Å; F54-H58 PolarHBondContact O-N 3.18Å; F54-V318 HydrophobicContact CE1-CG1 4.28Å; F54-V318 HydrophobicContact CZ-CG1 4.22Å; F54-I319 HydrophobicContact CD1-CD1 4.22Å; F54-I319 HydrophobicContact CE1-CD1 3.48Å; F54-I319 VanDerWaalsContact CE1-CD1 3.48Å; F54-I319 HydrophobicContact CE2-CD1 4.35Å; F54-I319 HydrophobicContact CZ-CD1 3.56Å; F54-A322 HydrophobicContact CD1-CB 4.3Å; F54-A322 HydrophobicContact CE1-CB 4.2Å; F54-F329 HydrophobicContact CE1-CZ 4.22Å; F54-L383 HydrophobicContact CE2-CD1 3.65Å; F54-L383 HydrophobicContact CZ-CD1 3.86Å
55L96.9Very high94.6Very high37 Ų3764.8 Ų64.819%0.19433%0.326CS..Hα-helixtrans-66.7-27.9177.8-69.8178000113.3I51 D52 H58 I319 A322 K323I51-L55 HydrophobicContact CG2-CD1 3.74Å; I51-L55 HydrophobicContact CG2-CG 4.08Å; I51-L55 WeakPolarHBondContact O-CB 3.47Å; I51-L55 VanDerWaalsContact O-CG 3.24Å; I51-L55 WeakPolarHBondContact O-CG 3.37Å; I51-L55 PolarHBondContact O-N 3.43Å; D52-L55 PolarHBondContact O-N 3.19Å; L55-H58 PolarHBondContact O-CD2 3.42Å; L55-H58 VanDerWaalsContact O-CD2 3.24Å; L55-I319 HydrophobicContact CD2-CD1 4.48Å; L55-I319 HydrophobicContact CD2-CG2 3.91Å; L55-A322 HydrophobicContact CD2-CB 3.92Å; L55-K323 HydrophobicContact CD1-CG 3.93Å; L55-K323 HydrophobicContact CD2-CG 3.66Å; L55-K323 HydrophobicContact CG-CG 4.44Å
56K96.1Very high94.3Very high156 Ų15663.3 Ų63.368%0.67832%0.316SS*.Hα-helixtrans-80.3-32174.9-73.3172.4-176.6177.70113.2D52 L53 F54D52-K56 WeakPolarHBondContact O-CB 3.29Å; D52-K56 VanDerWaalsContact O-CG 3.26Å; D52-K56 WeakPolarHBondContact O-CG 3.46Å; D52-K56 PolarHBondContact O-N 3.3Å; L53-K56 PolarHBondContact O-N 3.26Å; F54-K56 VanDerWaalsContact C-N 3.3Å; F54-K56 PolarHBondContact O-N 3.09Å
57S95.7Very high93.7Very high5 Ų564.4 Ų64.44%0.03533%0.326CS..Hα-helixtrans-108.8-10.9-166.668.10000115A41 L53 F54 S59 S60A41-S57 WeakPolarHBondContact O-CA 3.08Å; A41-S57 WeakPolarHBondContact O-CB 3.43Å; L53-S57 VanDerWaalsContact O-CB 3.25Å; L53-S57 WeakPolarHBondContact O-CB 3.42Å; L53-S57 PolarHBondContact O-N 2.83Å; L53-S57 PolarHBondContact O-OG 3.35Å; F54-S57 PolarHBondContact O-N 3.27Å; S57-S59 PolarHBondContact O-N 2.8Å; S57-S60 VanDerWaalsContact O-CB 3.25Å; S57-S60 WeakPolarHBondContact O-CB 3.06Å; S57-S60 PolarHBondContact O-N 3.33Å; S57-S60 PolarHBondContact O-OG 3.43Å
58H94.9Very high93.3Very high31 Ų3166 Ų6614%0.14433%0.333CS..THydrogen-bonded Turntrans-56.2-32.2-172.273.589.9000114.5F54 L55 I319 L383 S385F54-H58 HydrophobicContact CE2-CB 4.46Å; F54-H58 WeakPolarHBondContact O-CB 3.49Å; F54-H58 PolarHBondContact O-N 3.18Å; L55-H58 PolarHBondContact O-CD2 3.42Å; L55-H58 VanDerWaalsContact O-CD2 3.24Å; H58-I319 HydrophobicContact CB-CD1 3.59Å; H58-I319 HydrophobicContact CB-CG1 4.38Å; H58-I319 VanDerWaalsContact CG-CD1 3.45Å; H58-L383 HydrophobicContact CB-CD1 4.13Å; H58-L383 HydrophobicContact CB-CD2 4.18Å; H58-S385 VanDerWaalsContact O-CB 3.29Å; H58-S385 WeakPolarHBondContact O-CB 3.41Å; H58-S385 PolarHBondContact O-N 3.15Å; H58-S385 VanDerWaalsContact O-N 3.13Å; H58-S385 PolarHBondContact O-OG 2.91Å
59S94.4Very high93.1Very high56 Ų5662.6 Ų62.639%0.39231%0.312SS..THydrogen-bonded Turntrans-93.8-4.4-179.361.10000113.5S57 Y61S57-S59 PolarHBondContact O-N 2.8Å; S59-Y61 VanDerWaalsContact O-CD1 3.28Å; S59-Y61 WeakPolarHBondContact O-CD1 2.92Å
60S92.6Very high92.6Very high13 Ų1365.8 Ų65.89%0.09133%0.329CS..  trans-69137.4-174.767.70000112.1A43 S57 S385A43-S60 PolarHBondContact N-OG 2.98Å; S57-S60 VanDerWaalsContact O-CB 3.25Å; S57-S60 WeakPolarHBondContact O-CB 3.06Å; S57-S60 PolarHBondContact O-N 3.33Å; S57-S60 PolarHBondContact O-OG 3.43Å; S60-S385 VanDerWaalsContact O-CA 3.24Å; S60-S385 WeakPolarHBondContact O-CA 3.29Å
61Y91.7Very high92.4Very high69 Ų6962.4 Ų62.427%0.27131%0.311SS..  trans-156.7155.6168.359.8-87.7000108.9S59 K63 T66 I92 F93 N384S59-Y61 VanDerWaalsContact O-CD1 3.28Å; S59-Y61 WeakPolarHBondContact O-CD1 2.92Å; Y61-K63 PolarHBondContact O-N 2.99Å; Y61-T66 HydrophobicContact CD2-CG2 3.58Å; Y61-T66 HydrophobicContact CE2-CG2 3.58Å; Y61-I92 HydrophobicContact CE2-CG2 4.09Å; Y61-F93 HydrophobicContact CD1-CE1 4.43Å; Y61-F93 AromaticContact CD1-CZ 3.79Å; Y61-F93 HydrophobicContact CD1-CZ 3.79Å; Y61-F93 AromaticContact CD2-CE1 3.78Å; Y61-F93 HydrophobicContact CD2-CE1 3.78Å; Y61-F93 AromaticContact CD2-CZ 3.89Å; Y61-F93 HydrophobicContact CD2-CZ 3.89Å; Y61-F93 HydrophobicContact CE1-CZ 4.02Å; Y61-F93 HydrophobicContact CE2-CE1 4.22Å; Y61-F93 HydrophobicContact CE2-CZ 4.1Å; Y61-F93 AromaticContact CG-CE1 3.9Å; Y61-F93 HydrophobicContact CG-CE1 3.9Å; Y61-F93 AromaticContact CG-CZ 3.73Å; Y61-F93 HydrophobicContact CG-CZ 3.73Å; Y61-N384 HydrophobicContact CD1-CB 3.94Å; Y61-N384 HydrophobicContact CE1-CB 4.33Å
62N90.1Very high92.3Very high49 Ų4969.7 Ų69.726%0.26235%0.351SS..  trans-79.5111.7174.9-176.9-17.4000109.6Y64 T65N62-Y64 PolarHBondContact O-N 2.79Å; N62-Y64 VanDerWaalsContact O-N 3.15Å; N62-Y64 WeakPolarHBondContact OD1-CB 3.44Å; N62-Y64 VanDerWaalsContact OD1-CD2 3.32Å; N62-Y64 WeakPolarHBondContact OD1-CD2 3.28Å; N62-Y64 PolarHBondContact OD1-N 3.37Å; N62-T65 HydrophobicContact CB-CG2 4.46Å; N62-T65 PolarHBondContact O-N 3.19Å; N62-T65 VanDerWaalsContact O-N 3.12Å; N62-T65 PolarHBondContact O-OG1 2.79Å
63K88.7Confident92.4Very high127 Ų12766.1 Ų66.155%0.55233%0.334SS*.THydrogen-bonded Turntrans-60.1-22.1179.968.4-176.4-177.4-176.50114Y61 T66Y61-K63 PolarHBondContact O-N 2.99Å; K63-T66 PolarHBondContact O-OG1 3.03Å
64Y88Confident92.5Very high131 Ų13163.7 Ų63.751%0.51432%0.323SS..THydrogen-bonded Turntrans-85.2-10.6-179.6-54.9-67.4000113.3Y37 N62Y37-Y64 PolarHBondContact OH-OH 3.05Å; N62-Y64 PolarHBondContact O-N 2.79Å; N62-Y64 VanDerWaalsContact O-N 3.15Å; N62-Y64 WeakPolarHBondContact OD1-CB 3.44Å; N62-Y64 VanDerWaalsContact OD1-CD2 3.32Å; N62-Y64 WeakPolarHBondContact OD1-CD2 3.28Å; N62-Y64 PolarHBondContact OD1-N 3.37Å
65T89.4Confident92.6Very high36 Ų3662.7 Ų62.722%0.22132%0.318CS..SBendtrans-118.112.4-178.766.50000113N62 S67 Q68 K96N62-T65 HydrophobicContact CB-CG2 4.46Å; N62-T65 PolarHBondContact O-N 3.19Å; N62-T65 VanDerWaalsContact O-N 3.12Å; N62-T65 PolarHBondContact O-OG1 2.79Å; T65-S67 VanDerWaalsContact C-N 3.31Å; T65-S67 PolarHBondContact O-N 2.96Å; T65-Q68 PolarHBondContact O-N 3.31Å; T65-Q68 VanDerWaalsContact O-N 3.16Å; T65-K96 PolarHBondContact O-NZ 2.86Å
66T89.9Confident92.7Very high26 Ų2661 Ų6116%0.1631%0.309CS..THydrogen-bonded Turntrans-64.3-35-179.753.10000112.9Y61 K63 I92 F93Y61-T66 HydrophobicContact CD2-CG2 3.58Å; Y61-T66 HydrophobicContact CE2-CG2 3.58Å; K63-T66 PolarHBondContact O-OG1 3.03Å; T66-I92 WeakPolarHBondContact CB-O 3.42Å; T66-I92 HydrophobicContact CG2-CG2 4.07Å; T66-F93 HydrophobicContact CG2-CD1 4.23Å; T66-F93 HydrophobicContact CG2-CE1 3.96Å
67S86.2Confident92.9Very high74 Ų7453.5 Ų53.552%0.51728%0.277SS..THydrogen-bonded Turntrans-85-10.317659.30000113.8T65T65-S67 VanDerWaalsContact C-N 3.31Å; T65-S67 PolarHBondContact O-N 2.96Å
68Q89.1Confident93Very high102 Ų10253.6 Ų53.648%0.47728%0.276SS..  trans-88.1130.6-179.3-62.5178.5600110T65 K96T65-Q68 PolarHBondContact O-N 3.31Å; T65-Q68 VanDerWaalsContact O-N 3.16Å; Q68-K96 PolarHBondContact O-NZ 3.1Å
69K91.9Very high93.2Very high65 Ų6552.1 Ų52.128%0.28327%0.269SS..  trans-96.4118.2173.2-170.9170.3176.6-112.80109.9L71 A73 K96 N98K69-L71 WeakPolarHBondContact CE-O 3.5Å; K69-L71 PolarHBondContact NZ-O 3.24Å; K69-A73 PolarHBondContact NZ-O 2.88Å; K69-K96 WeakPolarHBondContact CD-O 3.46Å; K69-K96 WeakPolarHBondContact CE-O 3.48Å; K69-N98 WeakPolarHBondContact CE-OD1 3.07Å; K69-N98 PolarHBondContact NZ-OD1 2.98Å
70N88.4Confident93.4Very high94 Ų9449.5 Ų49.550%0.50325%0.251SS..  trans-86.4-18.9-179.4-64.9-29.1000112F390N70-F390 PolarHBondContact N-O 3.41Å; N70-F390 PolarHBondContact N-OXT 3.24Å
71L92.7Very high93.5Very high24 Ų2450.2 Ų50.213%0.12626%0.256CS..  trans-92.8126-177.6-58.8-175.3000113.8K69 A73 V75 L364 L368 L389 F390K69-L71 WeakPolarHBondContact CE-O 3.5Å; K69-L71 PolarHBondContact NZ-O 3.24Å; L71-A73 PolarHBondContact O-N 3.47Å; L71-A73 VanDerWaalsContact O-N 3.15Å; L71-V75 HydrophobicContact CD1-CG2 4.23Å; L71-L364 HydrophobicContact CD1-CD2 4.16Å; L71-L368 HydrophobicContact CD1-CD1 4.31Å; L71-L368 HydrophobicContact CD2-CD1 3.53Å; L71-L368 HydrophobicContact CG-CD1 4.41Å; L71-L389 WeakPolarHBondContact CD2-O 3.48Å; L71-F390 HydrophobicContact CD1-CB 4.35Å; L71-F390 HydrophobicContact CD1-CD1 3.77Å; L71-F390 HydrophobicContact CD1-CE1 4.49Å; L71-F390 HydrophobicContact CD1-CG 4.27Å; L71-F390 WeakPolarHBondContact CG-OXT 3.45Å; L71-F390 PolarHBondContact N-OXT 3.26Å
72N93.9Very high93.6Very high175 Ų17555.9 Ų55.994%0.93628%0.277SS*.SBendtrans-86.450.9168.3-167.821.6000112.4
73A97.5Very high93.9Very high20 Ų2054.2 Ų54.217%0.16527%0.268CS..SBendtrans-150.2155.4175.400000110.6K69 L71 V75 N98 L368K69-A73 PolarHBondContact NZ-O 2.88Å; L71-A73 PolarHBondContact O-N 3.47Å; L71-A73 VanDerWaalsContact O-N 3.15Å; A73-V75 PolarHBondContact O-N 2.69Å; A73-N98 PolarHBondContact O-OD1 2.91Å; A73-L368 HydrophobicContact CB-CD2 3.3Å
74T98.6Very high94.3Very high27 Ų2756.4 Ų56.417%0.16628%0.277CS..  trans-63.9129.7178.1-60.60000110.7N98 L99 Y247 L293 G373 V374T74-N98 WeakPolarHBondContact CA-OD1 3.33Å; T74-N98 HydrophobicContact CG2-CB 4.03Å; T74-L99 HydrophobicContact CG2-CD1 3.8Å; T74-Y247 HydrophobicContact CG2-CD1 4.31Å; T74-Y247 HydrophobicContact CG2-CE1 3.78Å; T74-Y247 HydrophobicContact CG2-CE2 4.5Å; T74-Y247 PolarHBondContact OG1-OH 3.17Å; T74-L293 HydrophobicContact CG2-CD1 4.38Å; T74-L293 HydrophobicContact CG2-CD2 3.75Å; T74-G373 CarbonylContact O-C 3.55Å; T74-G373 VanDerWaalsContact O-CA 3.23Å; T74-G373 WeakPolarHBondContact O-CA 3.46Å; T74-V374 PolarHBondContact O-N 3.1Å
75V98.7Very high94.7Very high0 Ų053.9 Ų53.90%027%0.272CS..EExtended strand (participates in β ladder)trans-117.4119.4173.9-173.80000109.6L71 A73 F97 N98 L99 V374 I376 F390L71-V75 HydrophobicContact CD1-CG2 4.23Å; A73-V75 PolarHBondContact O-N 2.69Å; V75-F97 HydrophobicContact CG1-CD1 3.78Å; V75-F97 HydrophobicContact CG1-CE1 4.4Å; V75-N98 PolarHBondContact N-OD1 3.37Å; V75-N98 VanDerWaalsContact N-OD1 3.11Å; V75-N98 PolarHBondContact O-N 3.43Å; V75-L99 PolarHBondContact O-N 3.46Å; V75-V374 WeakPolarHBondContact CA-O 3.43Å; V75-I376 HydrophobicContact CG1-CD1 3.87Å; V75-I376 HydrophobicContact CG1-CG1 4.34Å; V75-F390 HydrophobicContact CG1-CD1 4.23Å
76L98.9Very high95.1Very high0 Ų052.2 Ų52.20%026%0.262CS..EExtended strand (participates in β ladder)trans-100.7128.4171.2169.264.8000109.7Y78 L99 A101 V140 V183 V217 L293 V374 S375 I376L76-Y78 HydrophobicContact CD2-CE2 3.85Å; L76-Y78 HydrophobicContact CG-CE2 4.16Å; L76-L99 WeakPolarHBondContact CA-O 3.4Å; L76-L99 HydrophobicContact CB-CB 4.1Å; L76-L99 HydrophobicContact CB-CD1 4.29Å; L76-L99 HydrophobicContact CD1-CB 3.46Å; L76-L99 VanDerWaalsContact CD1-CB 3.46Å; L76-L99 HydrophobicContact CD1-CD1 4.44Å; L76-L99 HydrophobicContact CG-CB 4.39Å; L76-A101 HydrophobicContact CD1-CB 3.74Å; L76-V140 HydrophobicContact CD1-CG2 4.05Å; L76-V183 HydrophobicContact CD1-CG2 4.49Å; L76-V183 HydrophobicContact CD2-CG2 4.45Å; L76-V217 HydrophobicContact CD2-CG1 4.1Å; L76-L293 HydrophobicContact CB-CD1 3.66Å; L76-L293 HydrophobicContact CD2-CD1 3.9Å; L76-L293 HydrophobicContact CG-CD1 4.43Å; L76-V374 PolarHBondContact N-O 3.4Å; L76-S375 CarbonylContact O-C 3.58Å; L76-S375 WeakPolarHBondContact O-CA 3.21Å; L76-I376 PolarHBondContact O-N 3.42Å
77A98.8Very high95.5Very high0 Ų052.1 Ų52.10%026%0.259CS..EExtended strand (participates in β ladder)trans-115.6117.4179.600000110.6F97 L99 I100 A101 I379A77-F97 HydrophobicContact CB-CB 4.28Å; A77-F97 HydrophobicContact CB-CD1 3.85Å; A77-F97 HydrophobicContact CB-CD2 3.84Å; A77-F97 HydrophobicContact CB-CE1 4.13Å; A77-F97 HydrophobicContact CB-CE2 4.12Å; A77-F97 HydrophobicContact CB-CG 3.71Å; A77-F97 HydrophobicContact CB-CZ 4.26Å; A77-L99 PolarHBondContact N-O 3.01Å; A77-I100 HydrophobicContact CB-CG1 4.48Å; A77-I100 CarbonylContact O-C 3.39Å; A77-I100 WeakPolarHBondContact O-CA 3.4Å; A77-A101 PolarHBondContact O-N 3.12Å; A77-I379 HydrophobicContact CB-CD1 4.1Å; A77-I379 HydrophobicContact CB-CG2 3.57Å
78Y98.9Very high96Very high6 Ų652.8 Ų52.82%0.02425%0.254CS..EExtended strand (participates in β ladder)trans-81.4144.2171-70.6-83.2000111L76 A101 V103 V183 S249 I376 W377 I379L76-Y78 HydrophobicContact CD2-CE2 3.85Å; L76-Y78 HydrophobicContact CG-CE2 4.16Å; Y78-A101 WeakPolarHBondContact CA-O 3.38Å; Y78-A101 HydrophobicContact CD1-CB 3.55Å; Y78-A101 HydrophobicContact CE1-CB 3.67Å; Y78-A101 HydrophobicContact CG-CB 4.31Å; Y78-V103 HydrophobicContact CD1-CG2 3.92Å; Y78-V183 HydrophobicContact CE1-CG1 4.02Å; Y78-V183 HydrophobicContact CE1-CG2 4.48Å; Y78-V183 WeakPolarHBondContact OH-CG1 3.24Å; Y78-S249 WeakPolarHBondContact OH-CB 3.39Å; Y78-S249 PolarHBondContact OH-OG 2.72Å; Y78-I376 WeakPolarHBondContact CD2-O 3.18Å; Y78-I376 PolarHBondContact N-O 3.11Å; Y78-I376 VanDerWaalsContact N-O 3.14Å; Y78-W377 HydrophobicContact CD1-CE3 4.06Å; Y78-W377 AromaticContact CD1-CZ3 3.91Å; Y78-W377 HydrophobicContact CD1-CZ3 3.91Å; Y78-W377 AromaticContact CD2-CE3 3.81Å; Y78-W377 HydrophobicContact CD2-CE3 3.81Å; Y78-W377 HydrophobicContact CD2-CZ3 4.49Å; Y78-W377 HydrophobicContact CE1-CZ3 4.49Å; Y78-W377 HydrophobicContact CE2-CE3 4.43Å; Y78-W377 AromaticContact CG-CE3 3.59Å; Y78-W377 HydrophobicContact CG-CE3 3.59Å; Y78-W377 AromaticContact CG-CZ3 3.9Å; Y78-W377 HydrophobicContact CG-CZ3 3.9Å; Y78-I379 WeakPolarHBondContact O-CG1 3.44Å; Y78-I379 PolarHBondContact O-N 3.45Å
79V98.7Very high96.4Very high0 Ų048.3 Ų48.30%023%0.233CC..EExtended strand (participates in β ladder)trans-132.8121.6175.2-179.80000109Y87 I100 A101 P102 V103 W126 I379V79-Y87 HydrophobicContact CG1-CD1 4.48Å; V79-Y87 HydrophobicContact CG1-CD2 3.8Å; V79-Y87 HydrophobicContact CG1-CE1 4.44Å; V79-Y87 HydrophobicContact CG1-CE2 3.8Å; V79-Y87 HydrophobicContact CG1-CG 4.15Å; V79-I100 HydrophobicContact CG2-CD1 3.83Å; V79-I100 HydrophobicContact CG2-CG1 3.94Å; V79-A101 PolarHBondContact N-O 2.91Å; V79-A101 VanDerWaalsContact N-O 3.08Å; V79-P102 CarbonylContact O-C 3.52Å; V79-P102 WeakPolarHBondContact O-CA 3.28Å; V79-V103 PolarHBondContact O-N 2.87Å; V79-W126 HydrophobicContact CB-CH2 4.21Å; V79-W126 HydrophobicContact CB-CZ2 4.37Å; V79-W126 HydrophobicContact CG1-CH2 4.16Å; V79-W126 HydrophobicContact CG1-CZ2 4Å; V79-W126 HydrophobicContact CG2-CH2 4.16Å; V79-W126 HydrophobicContact CG2-CZ2 4.09Å; V79-I379 HydrophobicContact CG2-CD1 3.46Å; V79-I379 VanDerWaalsContact CG2-CD1 3.46Å; V79-I379 HydrophobicContact CG2-CG1 3.92Å
80T97.8Very high96.6Very high1 Ų145.2 Ų45.21%0.00622%0.22CC..  trans-94.9141.5-179.857.70000112.2W82 N83 Y87 V103 W377 E378T80-W82 VanDerWaalsContact C-N 3.25Å; T80-W82 VanDerWaalsContact CB-CE2 3.5Å; T80-W82 HydrophobicContact CG2-CH2 4.11Å; T80-W82 HydrophobicContact CG2-CZ2 3.52Å; T80-W82 PolarHBondContact O-N 2.77Å; T80-W82 PolarHBondContact OG1-NE1 2.93Å; T80-N83 PolarHBondContact O-N 3.17Å; T80-N83 VanDerWaalsContact O-N 3.15Å; T80-N83 WeakPolarHBondContact OG1-CB 3.46Å; T80-Y87 WeakPolarHBondContact O-CE2 3.37Å; T80-V103 HydrophobicContact CG2-CB 4.15Å; T80-V103 HydrophobicContact CG2-CG2 4.13Å; T80-W377 HydrophobicContact CG2-CH2 4.36Å; T80-E378 HydrophobicContact CG2-CG 3.98Å
81P95.6Very high97Very high29 Ų2943.3 Ų43.319%0.18821%0.207CC..THydrogen-bonded Turntrans-64.4-29.3-175.721-29.1000113.4Y87 V103 E121P81-Y87 WeakPolarHBondContact CA-OH 3.35Å; P81-V103 WeakPolarHBondContact CD-O 3.37Å; P81-V103 WeakPolarHBondContact CG-O 3.37Å; P81-E121 HydrophobicContact CB-CB 4.44Å; P81-E121 HydrophobicContact CB-CG 4.35Å
82W94.9Very high97.2Very high188 Ų18844.9 Ų44.971%0.71222%0.215SC*.THydrogen-bonded Turntrans-82.1-8.7178.653.683.5000114.4T80 V103T80-W82 VanDerWaalsContact C-N 3.25Å; T80-W82 VanDerWaalsContact CB-CE2 3.5Å; T80-W82 HydrophobicContact CG2-CH2 4.11Å; T80-W82 HydrophobicContact CG2-CZ2 3.52Å; T80-W82 PolarHBondContact O-N 2.77Å; T80-W82 PolarHBondContact OG1-NE1 2.93Å; W82-V103 HydrophobicContact CH2-CG1 4.38Å
83N95.9Very high97.3Very high13 Ų1336.6 Ų36.67%0.0717%0.171CC..  trans-111.593.9177-166.7-1.4000112.3T80 L85 G86 E378 G380T80-N83 PolarHBondContact O-N 3.17Å; T80-N83 VanDerWaalsContact O-N 3.15Å; T80-N83 WeakPolarHBondContact OG1-CB 3.46Å; N83-L85 PolarHBondContact O-N 2.94Å; N83-L85 VanDerWaalsContact O-N 3.11Å; N83-L85 WeakPolarHBondContact OD1-CB 3.27Å; N83-L85 PolarHBondContact OD1-N 3.4Å; N83-G86 PolarHBondContact O-N 3.41Å; N83-E378 PolarHBondContact ND2-OE1 2.88Å; N83-G380 WeakPolarHBondContact ND2-CA 3.37Å; N83-G380 PolarHBondContact ND2-O 3.41Å
84K95.9Very high97.3Very high174 Ų17435.7 Ų35.776%0.75716%0.163SC*.Hα-helixtrans-55.3-30.3178.5-66.2-174.9179.6-177.60113.4G86 Y87 E88K84-G86 PolarHBondContact O-N 2.87Å; K84-Y87 WeakPolarHBondContact O-CB 3.37Å; K84-Y87 PolarHBondContact O-N 3.33Å; K84-E88 PolarHBondContact O-N 3.12Å
85L96.9Very high97.1Very high78 Ų7834.9 Ų34.941%0.40816%0.16SC..Hα-helixtrans-63.3-32.4179.2-66.2175.8000112.2N83 Y87 E88 V89 N316N83-L85 PolarHBondContact O-N 2.94Å; N83-L85 VanDerWaalsContact O-N 3.11Å; N83-L85 WeakPolarHBondContact OD1-CB 3.27Å; N83-L85 PolarHBondContact OD1-N 3.4Å; L85-Y87 VanDerWaalsContact C-N 3.29Å; L85-Y87 PolarHBondContact O-N 3.01Å; L85-E88 PolarHBondContact O-N 2.77Å; L85-V89 WeakPolarHBondContact O-CB 3.31Å; L85-V89 VanDerWaalsContact O-CG2 3.26Å; L85-V89 WeakPolarHBondContact O-CG2 3.39Å; L85-V89 PolarHBondContact O-N 3.41Å; L85-N316 WeakPolarHBondContact CD1-ND2 3.41Å
86G98Very high97Very high0 Ų035 Ų350%016%0.161CC..Hα-helixtrans-63.3-37.4176.800000112.2N83 K84 A90N83-G86 PolarHBondContact O-N 3.41Å; K84-G86 PolarHBondContact O-N 2.87Å; G86-A90 WeakPolarHBondContact O-CB 3.48Å; G86-A90 PolarHBondContact O-N 3.22Å
87Y98.1Very high97Very high25 Ų2535 Ų3510%0.09816%0.161CC..Hα-helixtrans-65.8-43.1175.3-70.4-98.3000111.9V79 T80 P81 K84 L85 A90 K91 W104 W126V79-Y87 HydrophobicContact CG1-CD1 4.48Å; V79-Y87 HydrophobicContact CG1-CD2 3.8Å; V79-Y87 HydrophobicContact CG1-CE1 4.44Å; V79-Y87 HydrophobicContact CG1-CE2 3.8Å; V79-Y87 HydrophobicContact CG1-CG 4.15Å; T80-Y87 WeakPolarHBondContact O-CE2 3.37Å; P81-Y87 WeakPolarHBondContact CA-OH 3.35Å; K84-Y87 WeakPolarHBondContact O-CB 3.37Å; K84-Y87 PolarHBondContact O-N 3.33Å; L85-Y87 VanDerWaalsContact C-N 3.29Å; L85-Y87 PolarHBondContact O-N 3.01Å; Y87-A90 PolarHBondContact O-N 3.21Å; Y87-K91 WeakPolarHBondContact O-CG 3.45Å; Y87-K91 PolarHBondContact O-N 2.87Å; Y87-W104 HydrophobicContact CE1-CZ2 4.28Å; Y87-W104 PolarHBondContact OH-NE1 3.28Å; Y87-W126 HydrophobicContact CD1-CB 4.46Å; Y87-W126 AromaticContact CD1-CD1 3.71Å; Y87-W126 AromaticContact CD1-CD2 3.42Å; Y87-W126 HydrophobicContact CD1-CD2 3.42Å; Y87-W126 VanDerWaalsContact CD1-CD2 3.42Å; Y87-W126 AromaticContact CD1-CE2 3.26Å; Y87-W126 HydrophobicContact CD1-CE3 4.04Å; Y87-W126 AromaticContact CD1-CG 3.64Å; Y87-W126 HydrophobicContact CD1-CG 3.64Å; Y87-W126 HydrophobicContact CD1-CH2 4.34Å; Y87-W126 AromaticContact CD1-CZ2 3.74Å; Y87-W126 HydrophobicContact CD1-CZ2 3.74Å; Y87-W126 HydrophobicContact CD1-CZ3 4.47Å; Y87-W126 AromaticContact CD1-NE1 3.49Å; Y87-W126 AromaticContact CE1-CD2 3.81Å; Y87-W126 HydrophobicContact CE1-CD2 3.81Å; Y87-W126 AromaticContact CE1-CE2 3.93Å; Y87-W126 AromaticContact CE1-CE3 3.94Å; Y87-W126 HydrophobicContact CE1-CE3 3.94Å; Y87-W126 HydrophobicContact CE1-CG 4.3Å; Y87-W126 HydrophobicContact CE1-CH2 4.3Å; Y87-W126 HydrophobicContact CE1-CZ2 4.15Å; Y87-W126 HydrophobicContact CE1-CZ3 4.2Å; Y87-W126 AromaticContact CG-CE2 3.99Å; Y87-W126 HydrophobicContact CG-CZ2 4.3Å; Y87-W126 AromaticContact CG-NE1 3.95Å; Y87-W126 PolarHBondContact O-NE1 2.74Å
88E97.1Very high97Very high88 Ų8837.9 Ų37.941%0.41118%0.176SC..Hα-helixtrans-66.4-45.7177.8-64.5-52.5129.400111.7K84 L85 A90 K91 I92K84-E88 PolarHBondContact O-N 3.12Å; L85-E88 PolarHBondContact O-N 2.77Å; E88-A90 VanDerWaalsContact C-N 3.29Å; E88-A90 PolarHBondContact O-N 3.16Å; E88-K91 WeakPolarHBondContact O-CB 3.14Å; E88-K91 PolarHBondContact O-N 3.03Å; E88-K91 VanDerWaalsContact OE1-CE 3.29Å; E88-K91 WeakPolarHBondContact OE1-CE 3.34Å; E88-K91 IonicContact OE1-NZ 2.74Å; E88-K91 PolarHBondContact OE1-NZ 2.88Å; E88-K91 WeakPolarHBondContact OE2-CE 3.48Å; E88-K91 IonicContact OE2-NZ 3.51Å; E88-K91 PolarHBondContact OE2-NZ 2.87Å; E88-I92 WeakPolarHBondContact O-CG1 3.49Å; E88-I92 PolarHBondContact O-N 2.9Å
89V97.1Very high97Very high7 Ų737.8 Ų37.84%0.04218%0.176CC..Hα-helixtrans-58-41.7175.3161.80000111.4L85 K91 I92 F93 I379 Y387L85-V89 WeakPolarHBondContact O-CB 3.31Å; L85-V89 VanDerWaalsContact O-CG2 3.26Å; L85-V89 WeakPolarHBondContact O-CG2 3.39Å; L85-V89 PolarHBondContact O-N 3.41Å; V89-K91 PolarHBondContact O-N 3.3Å; V89-I92 PolarHBondContact O-N 3.04Å; V89-F93 HydrophobicContact CB-CD2 4.39Å; V89-F93 HydrophobicContact CG1-CD2 3.93Å; V89-F93 WeakPolarHBondContact O-CB 3.37Å; V89-F93 PolarHBondContact O-N 2.86Å; V89-I379 HydrophobicContact CB-CD1 4.46Å; V89-I379 HydrophobicContact CB-CG1 4.32Å; V89-I379 HydrophobicContact CG1-CB 3.82Å; V89-I379 HydrophobicContact CG1-CD1 3.85Å; V89-I379 HydrophobicContact CG1-CG1 3.8Å; V89-Y387 HydrophobicContact CG1-CE1 3.83Å; V89-Y387 HydrophobicContact CG1-CE2 3.71Å; V89-Y387 VanDerWaalsContact CG1-OH 3.22Å; V89-Y387 WeakPolarHBondContact CG1-OH 3.25Å; V89-Y387 HydrophobicContact CG2-CE2 4.05Å
90A97.4Very high97Very high0 Ų037.8 Ų37.80%018%0.176CC..Hα-helixtrans-62-32.1177.500000113G86 Y87 E88 G94 I100 W126 I130 I379G86-A90 WeakPolarHBondContact O-CB 3.48Å; G86-A90 PolarHBondContact O-N 3.22Å; Y87-A90 PolarHBondContact O-N 3.21Å; E88-A90 VanDerWaalsContact C-N 3.29Å; E88-A90 PolarHBondContact O-N 3.16Å; A90-G94 WeakPolarHBondContact O-CA 3.32Å; A90-G94 PolarHBondContact O-N 3.01Å; A90-I100 HydrophobicContact CB-CD1 3.55Å; A90-W126 HydrophobicContact CB-CZ2 3.73Å; A90-I130 HydrophobicContact CB-CD1 3.7Å; A90-I130 HydrophobicContact CB-CG1 4.14Å; A90-I379 HydrophobicContact CB-CD1 4.09Å
91K96.5Very high97Very high55 Ų5537.7 Ų37.724%0.23918%0.175CC..Hα-helixtrans-76-39175.2-65.5-179.6-64.3176.40112.2Y87 E88 V89 E129 I130 V133Y87-K91 WeakPolarHBondContact O-CG 3.45Å; Y87-K91 PolarHBondContact O-N 2.87Å; E88-K91 WeakPolarHBondContact O-CB 3.14Å; E88-K91 PolarHBondContact O-N 3.03Å; E88-K91 VanDerWaalsContact OE1-CE 3.29Å; E88-K91 WeakPolarHBondContact OE1-CE 3.34Å; E88-K91 IonicContact OE1-NZ 2.74Å; E88-K91 PolarHBondContact OE1-NZ 2.88Å; E88-K91 WeakPolarHBondContact OE2-CE 3.48Å; E88-K91 IonicContact OE2-NZ 3.51Å; E88-K91 PolarHBondContact OE2-NZ 2.87Å; V89-K91 PolarHBondContact O-N 3.3Å; K91-E129 HydrophobicContact CD-CB 4.34Å; K91-E129 WeakPolarHBondContact CD-OE2 3.46Å; K91-E129 HydrophobicContact CG-CB 4.43Å; K91-E129 IonicContact NZ-OE2 3.11Å; K91-I130 HydrophobicContact CG-CG1 4.46Å; K91-V133 VanDerWaalsContact O-CG2 3.29Å; K91-V133 WeakPolarHBondContact O-CG2 3.37Å
92I96Very high97.2Very high57 Ų5736.3 Ų36.329%0.29217%0.167SC..Hα-helixtrans-74.7-47.3-178.7-63.1167.6000110.5Y61 T66 E88 V89Y61-I92 HydrophobicContact CE2-CG2 4.09Å; T66-I92 WeakPolarHBondContact CB-O 3.42Å; T66-I92 HydrophobicContact CG2-CG2 4.07Å; E88-I92 WeakPolarHBondContact O-CG1 3.49Å; E88-I92 PolarHBondContact O-N 2.9Å; V89-I92 PolarHBondContact O-N 3.04Å
93F96.7Very high97.4Very high1 Ų127.6 Ų27.60%0.00413%0.134CC..Hα-helixtrans-109.813.1-169.5-57.3-71.6000113.5Y61 T66 V89 G95 K96 F97 Y387Y61-F93 HydrophobicContact CD1-CE1 4.43Å; Y61-F93 AromaticContact CD1-CZ 3.79Å; Y61-F93 HydrophobicContact CD1-CZ 3.79Å; Y61-F93 AromaticContact CD2-CE1 3.78Å; Y61-F93 HydrophobicContact CD2-CE1 3.78Å; Y61-F93 AromaticContact CD2-CZ 3.89Å; Y61-F93 HydrophobicContact CD2-CZ 3.89Å; Y61-F93 HydrophobicContact CE1-CZ 4.02Å; Y61-F93 HydrophobicContact CE2-CE1 4.22Å; Y61-F93 HydrophobicContact CE2-CZ 4.1Å; Y61-F93 AromaticContact CG-CE1 3.9Å; Y61-F93 HydrophobicContact CG-CE1 3.9Å; Y61-F93 AromaticContact CG-CZ 3.73Å; Y61-F93 HydrophobicContact CG-CZ 3.73Å; T66-F93 HydrophobicContact CG2-CD1 4.23Å; T66-F93 HydrophobicContact CG2-CE1 3.96Å; V89-F93 HydrophobicContact CB-CD2 4.39Å; V89-F93 HydrophobicContact CG1-CD2 3.93Å; V89-F93 WeakPolarHBondContact O-CB 3.37Å; V89-F93 PolarHBondContact O-N 2.86Å; F93-G95 PolarHBondContact O-N 3.45Å; F93-K96 HydrophobicContact CB-CD 4.23Å; F93-K96 HydrophobicContact CD1-CD 4.19Å; F93-K96 VanDerWaalsContact O-CB 3.31Å; F93-K96 WeakPolarHBondContact O-CB 3.36Å; F93-K96 PolarHBondContact O-N 2.96Å; F93-F97 HydrophobicContact CB-CE2 4.32Å; F93-F97 HydrophobicContact CB-CZ 4.23Å; F93-Y387 HydrophobicContact CB-CD1 4.14Å; F93-Y387 HydrophobicContact CB-CG 4.24Å; F93-Y387 VanDerWaalsContact CD1-CB 3.5Å; F93-Y387 HydrophobicContact CD1-CD2 4.35Å; F93-Y387 AromaticContact CD1-CG 3.9Å; F93-Y387 HydrophobicContact CD1-CG 3.9Å; F93-Y387 HydrophobicContact CD2-CD1 4.2Å; F93-Y387 AromaticContact CD2-CD2 3.47Å; F93-Y387 HydrophobicContact CD2-CD2 3.47Å; F93-Y387 VanDerWaalsContact CD2-CD2 3.47Å; F93-Y387 AromaticContact CD2-CE2 3.94Å; F93-Y387 HydrophobicContact CD2-CE2 3.94Å; F93-Y387 AromaticContact CD2-CG 3.65Å; F93-Y387 HydrophobicContact CD2-CG 3.65Å; F93-Y387 HydrophobicContact CE1-CD2 4.24Å; F93-Y387 HydrophobicContact CE1-CG 4.09Å; F93-Y387 AromaticContact CE2-CD2 3.32Å; F93-Y387 HydrophobicContact CE2-CD2 3.32Å; F93-Y387 AromaticContact CE2-CE2 3.94Å; F93-Y387 HydrophobicContact CE2-CE2 3.94Å; F93-Y387 AromaticContact CE2-CG 3.86Å; F93-Y387 HydrophobicContact CE2-CG 3.86Å; F93-Y387 HydrophobicContact CG-CD1 4.06Å; F93-Y387 AromaticContact CG-CD2 3.98Å; F93-Y387 HydrophobicContact CG-CD2 3.98Å; F93-Y387 AromaticContact CG-CG 3.65Å; F93-Y387 HydrophobicContact CG-CG 3.65Å; F93-Y387 AromaticContact CZ-CD2 3.73Å; F93-Y387 HydrophobicContact CZ-CD2 3.73Å; F93-Y387 HydrophobicContact CZ-CG 4.06Å
94G96.1Very high97.5Very high0 Ų027.6 Ų27.60%013%0.133CC..G310 helixtrans-55.1-27.7-176.300000114.6A90 K96 F97 N134A90-G94 WeakPolarHBondContact O-CA 3.32Å; A90-G94 PolarHBondContact O-N 3.01Å; G94-K96 PolarHBondContact O-N 3.25Å; G94-F97 PolarHBondContact O-N 2.82Å; G94-N134 WeakPolarHBondContact O-CB 3.23Å; G94-N134 PolarHBondContact O-ND2 3.39Å
95G95.8Very high97.6Very high11 Ų1119.3 Ų19.311%0.11310%0.097CC..G310 helixtrans-63.1-18.2174.100000114.4F93F93-G95 PolarHBondContact O-N 3.45Å
96K97Very high97.7Very high2 Ų219.2 Ų19.21%0.00910%0.095CC..G310 helixtrans-87.3-9.7-178.8-58.2-175.7174.4-67.60113.6T65 Q68 K69 F93 G94 Y387 F390T65-K96 PolarHBondContact O-NZ 2.86Å; Q68-K96 PolarHBondContact O-NZ 3.1Å; K69-K96 WeakPolarHBondContact CD-O 3.46Å; K69-K96 WeakPolarHBondContact CE-O 3.48Å; F93-K96 HydrophobicContact CB-CD 4.23Å; F93-K96 HydrophobicContact CD1-CD 4.19Å; F93-K96 VanDerWaalsContact O-CB 3.31Å; F93-K96 WeakPolarHBondContact O-CB 3.36Å; F93-K96 PolarHBondContact O-N 2.96Å; G94-K96 PolarHBondContact O-N 3.25Å; K96-Y387 WeakPolarHBondContact CD-O 3.46Å; K96-Y387 WeakPolarHBondContact CE-O 3.5Å; K96-Y387 PolarHBondContact NZ-O 3.1Å; K96-F390 HydrophobicContact CB-CB 4.11Å; K96-F390 HydrophobicContact CD-CB 4Å; K96-F390 PolarHBondContact NZ-O 2.71Å
97F97.9Very high97.7Very high1 Ų119.2 Ų19.20%0.00410%0.095CC..  trans-110.4141.5-174-47.4-45.5000111.8V75 A77 F93 G94 N134 I137 I376 I379 Y387V75-F97 HydrophobicContact CG1-CD1 3.78Å; V75-F97 HydrophobicContact CG1-CE1 4.4Å; A77-F97 HydrophobicContact CB-CB 4.28Å; A77-F97 HydrophobicContact CB-CD1 3.85Å; A77-F97 HydrophobicContact CB-CD2 3.84Å; A77-F97 HydrophobicContact CB-CE1 4.13Å; A77-F97 HydrophobicContact CB-CE2 4.12Å; A77-F97 HydrophobicContact CB-CG 3.71Å; A77-F97 HydrophobicContact CB-CZ 4.26Å; F93-F97 HydrophobicContact CB-CE2 4.32Å; F93-F97 HydrophobicContact CB-CZ 4.23Å; G94-F97 PolarHBondContact O-N 2.82Å; F97-N134 PolarHBondContact O-ND2 2.87Å; F97-I137 HydrophobicContact CB-CD1 4.25Å; F97-I376 HydrophobicContact CE1-CD1 4.01Å; F97-I379 HydrophobicContact CE2-CD1 4.05Å; F97-I379 HydrophobicContact CZ-CD1 4.43Å; F97-I379 HydrophobicContact CZ-CG2 4.26Å; F97-Y387 HydrophobicContact CE1-CE1 4.32Å; F97-Y387 HydrophobicContact CZ-CD1 4.16Å; F97-Y387 AromaticContact CZ-CE1 3.82Å; F97-Y387 HydrophobicContact CZ-CE1 3.82Å
98N98.4Very high97.7Very high60 Ų6018.4 Ų18.432%0.3219%0.092SC..SBendtrans-90.1-39.4170.5-67.899.9000110.9K69 A73 T74 V75 K138K69-N98 WeakPolarHBondContact CE-OD1 3.07Å; K69-N98 PolarHBondContact NZ-OD1 2.98Å; A73-N98 PolarHBondContact O-OD1 2.91Å; T74-N98 WeakPolarHBondContact CA-OD1 3.33Å; T74-N98 HydrophobicContact CG2-CB 4.03Å; V75-N98 PolarHBondContact N-OD1 3.37Å; V75-N98 VanDerWaalsContact N-OD1 3.11Å; V75-N98 PolarHBondContact O-N 3.43Å; N98-K138 PolarHBondContact O-N 2.87Å
99L98.9Very high97.6Very high3 Ų314.6 Ų14.62%0.0168%0.076CC..EExtended strand (participates in β ladder)trans-125.4137.2-177.3-62.8158.4000108.6T74 V75 L76 A77 K138 V140 L215 V217 Y247 L293T74-L99 HydrophobicContact CG2-CD1 3.8Å; V75-L99 PolarHBondContact O-N 3.46Å; L76-L99 WeakPolarHBondContact CA-O 3.4Å; L76-L99 HydrophobicContact CB-CB 4.1Å; L76-L99 HydrophobicContact CB-CD1 4.29Å; L76-L99 HydrophobicContact CD1-CB 3.46Å; L76-L99 VanDerWaalsContact CD1-CB 3.46Å; L76-L99 HydrophobicContact CD1-CD1 4.44Å; L76-L99 HydrophobicContact CG-CB 4.39Å; A77-L99 PolarHBondContact N-O 3.01Å; L99-K138 CarbonylContact C-O 3.44Å; L99-K138 VanDerWaalsContact CA-O 3.31Å; L99-K138 WeakPolarHBondContact CA-O 3.32Å; L99-K138 HydrophobicContact CD2-CB 3.53Å; L99-K138 HydrophobicContact CD2-CG 4.36Å; L99-V140 HydrophobicContact CB-CG2 3.9Å; L99-V140 HydrophobicContact CD2-CG1 3.83Å; L99-V140 HydrophobicContact CD2-CG2 3.84Å; L99-V140 HydrophobicContact CG-CG2 4.42Å; L99-L215 HydrophobicContact CD2-CD1 3.79Å; L99-V217 HydrophobicContact CD1-CG2 4.48Å; L99-Y247 HydrophobicContact CD1-CD2 3.85Å; L99-Y247 HydrophobicContact CD1-CE2 3.96Å; L99-Y247 HydrophobicContact CD1-CG 4.41Å; L99-L293 HydrophobicContact CD1-CD1 4.09Å
100I98.7Very high97.4Very high0 Ų017.9 Ų17.90%09%0.091CC..EExtended strand (participates in β ladder)trans-120.5129.8167.1-162.3169.7000109.4A77 V79 A90 P102 W126 I130 I137 K138 I139 V140A77-I100 HydrophobicContact CB-CG1 4.48Å; A77-I100 CarbonylContact O-C 3.39Å; A77-I100 WeakPolarHBondContact O-CA 3.4Å; V79-I100 HydrophobicContact CG2-CD1 3.83Å; V79-I100 HydrophobicContact CG2-CG1 3.94Å; A90-I100 HydrophobicContact CB-CD1 3.55Å; I100-P102 WeakPolarHBondContact O-CD 3.3Å; I100-W126 HydrophobicContact CD1-CH2 3.74Å; I100-W126 HydrophobicContact CD1-CZ2 3.84Å; I100-W126 HydrophobicContact CG1-CH2 4.42Å; I100-I130 HydrophobicContact CD1-CD1 3.72Å; I100-I137 HydrophobicContact CB-CD1 3.98Å; I100-I137 HydrophobicContact CG2-CD1 3.99Å; I100-I137 HydrophobicContact CG2-CG1 4.33Å; I100-K138 PolarHBondContact N-O 3.06Å; I100-I139 HydrophobicContact CG2-CB 4.23Å; I100-I139 HydrophobicContact CG2-CG1 3.89Å; I100-I139 HydrophobicContact CG2-CG2 4.16Å; I100-V140 WeakPolarHBondContact O-CG2 3.31Å; I100-V140 PolarHBondContact O-N 3.31Å
101A98.9Very high97.3Very high0 Ų025.6 Ų25.60%012%0.124CC..EExtended strand (participates in β ladder)trans-117.990.8-177.800000111.1L76 A77 Y78 V79 V103 V140 V183L76-A101 HydrophobicContact CD1-CB 3.74Å; A77-A101 PolarHBondContact O-N 3.12Å; Y78-A101 WeakPolarHBondContact CA-O 3.38Å; Y78-A101 HydrophobicContact CD1-CB 3.55Å; Y78-A101 HydrophobicContact CE1-CB 3.67Å; Y78-A101 HydrophobicContact CG-CB 4.31Å; V79-A101 PolarHBondContact N-O 2.91Å; V79-A101 VanDerWaalsContact N-O 3.08Å; A101-V103 PolarHBondContact O-N 3.18Å; A101-V140 VanDerWaalsContact CA-O 3.3Å; A101-V140 WeakPolarHBondContact CA-O 3.08Å; A101-V140 HydrophobicContact CB-CG2 4.35Å; A101-V140 VanDerWaalsContact CB-O 3.28Å; A101-V140 WeakPolarHBondContact CB-O 3.34Å; A101-V183 HydrophobicContact CB-CG2 3.74Å
102P98.7Very high97.3Very high0 Ų029 Ų290%014%0.139CC..EExtended strand (participates in β ladder)trans-62.2131.9168.4-19.930.8000111.3V79 I100 W104 W126 I139 P141 R142V79-P102 CarbonylContact O-C 3.52Å; V79-P102 WeakPolarHBondContact O-CA 3.28Å; I100-P102 WeakPolarHBondContact O-CD 3.3Å; P102-W104 VanDerWaalsContact C-N 3.33Å; P102-W104 HydrophobicContact CB-CD2 3.38Å; P102-W104 HydrophobicContact CB-CE3 3.58Å; P102-W104 HydrophobicContact CB-CG 4.04Å; P102-W104 HydrophobicContact CB-CH2 3.68Å; P102-W104 HydrophobicContact CB-CZ2 3.47Å; P102-W104 VanDerWaalsContact CB-CZ2 3.47Å; P102-W104 HydrophobicContact CB-CZ3 3.72Å; P102-W104 HydrophobicContact CG-CD2 4.42Å; P102-W104 HydrophobicContact CG-CE3 4.21Å; P102-W104 HydrophobicContact CG-CH2 3.74Å; P102-W104 HydrophobicContact CG-CZ2 3.94Å; P102-W104 HydrophobicContact CG-CZ3 3.87Å; P102-W104 PolarHBondContact O-N 2.88Å; P102-W126 HydrophobicContact CB-CZ3 4.44Å; P102-W126 HydrophobicContact CG-CH2 4.01Å; P102-W126 HydrophobicContact CG-CZ3 3.77Å; P102-I139 HydrophobicContact CG-CG2 4.33Å; P102-P141 WeakPolarHBondContact O-CA 3.34Å; P102-R142 PolarHBondContact O-N 3.11Å
103V98.5Very high97.3Very high5 Ų528.2 Ų28.23%0.0314%0.141CC..  trans-93.364-175.8-1770000110.1Y78 V79 T80 P81 W82 A101 R142 W377Y78-V103 HydrophobicContact CD1-CG2 3.92Å; V79-V103 PolarHBondContact O-N 2.87Å; T80-V103 HydrophobicContact CG2-CB 4.15Å; T80-V103 HydrophobicContact CG2-CG2 4.13Å; P81-V103 WeakPolarHBondContact CD-O 3.37Å; P81-V103 WeakPolarHBondContact CG-O 3.37Å; W82-V103 HydrophobicContact CH2-CG1 4.38Å; A101-V103 PolarHBondContact O-N 3.18Å; V103-R142 VanDerWaalsContact CG1-NH2 3.28Å; V103-R142 HydrophobicContact CG2-CB 4.48Å; V103-W377 HydrophobicContact CG1-CH2 4.43Å; V103-W377 HydrophobicContact CG2-CH2 4.2Å; V103-W377 HydrophobicContact CG2-CZ3 3.92Å
104W98.2Very high97.3Very high12 Ų1228.3 Ų28.35%0.04514%0.142CC..  trans-99.7-37.7-172.9-62.1-31.6000113.9Y87 P102 G118 E121 I122 W126 L127 F179Y87-W104 HydrophobicContact CE1-CZ2 4.28Å; Y87-W104 PolarHBondContact OH-NE1 3.28Å; P102-W104 VanDerWaalsContact C-N 3.33Å; P102-W104 HydrophobicContact CB-CD2 3.38Å; P102-W104 HydrophobicContact CB-CE3 3.58Å; P102-W104 HydrophobicContact CB-CG 4.04Å; P102-W104 HydrophobicContact CB-CH2 3.68Å; P102-W104 HydrophobicContact CB-CZ2 3.47Å; P102-W104 VanDerWaalsContact CB-CZ2 3.47Å; P102-W104 HydrophobicContact CB-CZ3 3.72Å; P102-W104 HydrophobicContact CG-CD2 4.42Å; P102-W104 HydrophobicContact CG-CE3 4.21Å; P102-W104 HydrophobicContact CG-CH2 3.74Å; P102-W104 HydrophobicContact CG-CZ2 3.94Å; P102-W104 HydrophobicContact CG-CZ3 3.87Å; P102-W104 PolarHBondContact O-N 2.88Å; W104-G118 WeakPolarHBondContact O-CA 3.21Å; W104-E121 HydrophobicContact CB-CB 4.15Å; W104-E121 HydrophobicContact CD2-CB 4.47Å; W104-E121 HydrophobicContact CG-CB 3.82Å; W104-I122 HydrophobicContact CE3-CB 4.44Å; W104-I122 HydrophobicContact CE3-CG1 3.83Å; W104-I122 HydrophobicContact CZ3-CB 4.27Å; W104-I122 HydrophobicContact CZ3-CG1 4.04Å; W104-I122 HydrophobicContact CZ3-CG2 4.16Å; W104-W126 HydrophobicContact CH2-CE3 4.13Å; W104-W126 AromaticContact CH2-CZ3 3.84Å; W104-W126 HydrophobicContact CH2-CZ3 3.84Å; W104-W126 HydrophobicContact CZ2-CE3 4.1Å; W104-W126 AromaticContact CZ2-CZ3 3.78Å; W104-W126 HydrophobicContact CZ2-CZ3 3.78Å; W104-L127 HydrophobicContact CH2-CD1 4.35Å; W104-L127 HydrophobicContact CH2-CD2 3.94Å; W104-L127 HydrophobicContact CH2-CG 4.25Å; W104-L127 HydrophobicContact CZ3-CD1 4.5Å; W104-L127 HydrophobicContact CZ3-CD2 4.43Å; W104-F179 HydrophobicContact CE3-CZ 4.39Å; W104-F179 HydrophobicContact CZ3-CE1 4.09Å; W104-F179 AromaticContact CZ3-CZ 3.84Å; W104-F179 HydrophobicContact CZ3-CZ 3.84Å
105F98.7Very high97.4Very high1 Ų131.7 Ų31.70%0.00416%0.162CC..EExtended strand (participates in β ladder)trans-103.6139.1-158.6-55.7-45.2000113.8V116 T117 I119 I122 P141 R142 F143 S144 I173 F179F105-V116 HydrophobicContact CB-CG1 3.64Å; F105-V116 HydrophobicContact CD1-CG1 4.16Å; F105-V116 HydrophobicContact CG-CG1 4.02Å; F105-T117 WeakPolarHBondContact CA-O 3.32Å; F105-T117 WeakPolarHBondContact CD1-O 3.4Å; F105-I119 HydrophobicContact CD1-CD1 4.3Å; F105-I119 HydrophobicContact CE1-CD1 3.83Å; F105-I119 HydrophobicContact CZ-CD1 4.48Å; F105-I122 HydrophobicContact CE1-CD1 3.86Å; F105-I122 HydrophobicContact CE1-CG1 3.85Å; F105-I122 HydrophobicContact CZ-CD1 3.63Å; F105-I122 HydrophobicContact CZ-CG1 3.71Å; F105-P141 HydrophobicContact CD2-CB 3.79Å; F105-P141 HydrophobicContact CD2-CG 4.15Å; F105-P141 HydrophobicContact CE2-CB 3.53Å; F105-P141 HydrophobicContact CE2-CG 3.65Å; F105-R142 WeakPolarHBondContact CB-O 3.42Å; F105-R142 PolarHBondContact N-O 3.15Å; F105-F143 HydrophobicContact CB-CD1 3.69Å; F105-F143 HydrophobicContact CB-CE1 3.94Å; F105-F143 HydrophobicContact CB-CG 4.15Å; F105-F143 HydrophobicContact CD2-CD1 4.05Å; F105-F143 HydrophobicContact CD2-CD2 4.28Å; F105-F143 AromaticContact CD2-CE1 3.55Å; F105-F143 HydrophobicContact CD2-CE1 3.55Å; F105-F143 AromaticContact CD2-CE2 3.79Å; F105-F143 HydrophobicContact CD2-CE2 3.79Å; F105-F143 HydrophobicContact CD2-CG 4.4Å; F105-F143 AromaticContact CD2-CZ 3.4Å; F105-F143 HydrophobicContact CD2-CZ 3.4Å; F105-F143 HydrophobicContact CE2-CE1 4.32Å; F105-F143 HydrophobicContact CE2-CE2 4.35Å; F105-F143 AromaticContact CE2-CZ 3.87Å; F105-F143 HydrophobicContact CE2-CZ 3.87Å; F105-F143 HydrophobicContact CG-CD1 4.21Å; F105-F143 AromaticContact CG-CE1 3.94Å; F105-F143 HydrophobicContact CG-CE1 3.94Å; F105-F143 HydrophobicContact CG-CZ 4.26Å; F105-S144 PolarHBondContact O-N 3.32Å; F105-I173 HydrophobicContact CE2-CG2 3.95Å; F105-I173 HydrophobicContact CZ-CG2 3.94Å; F105-F179 AromaticContact CE2-CE2 3.92Å; F105-F179 HydrophobicContact CE2-CE2 3.92Å; F105-F179 AromaticContact CZ-CE2 3.94Å; F105-F179 HydrophobicContact CZ-CE2 3.94Å; F105-F179 HydrophobicContact CZ-CZ 4.37Å
106E98.4Very high97.5Very high76 Ų7632.1 Ų32.136%0.35516%0.163SC..EExtended strand (participates in β ladder)trans-124127.1165.5-49.6-178.3130.400110V116 T117 S144 S146 P147E106-V116 WeakPolarHBondContact O-CA 3.45Å; E106-T117 WeakPolarHBondContact CB-OG1 3.24Å; E106-T117 PolarHBondContact N-O 3.33Å; E106-T117 PolarHBondContact O-N 3.04Å; E106-T117 PolarHBondContact O-OG1 2.8Å; E106-S144 CarbonylContact C-O 3.5Å; E106-S144 WeakPolarHBondContact CA-O 3.4Å; E106-S146 PolarHBondContact OE1-OG 3.27Å; E106-P147 HydrophobicContact CB-CG 3.92Å
107V98.4Very high97.6Very high0 Ų034.7 Ų34.70%018%0.178CC..EExtended strand (participates in β ladder)trans-83.2120.9175.9-175.50000107.8V116 F143 S144 F145 W148 V170V107-V116 HydrophobicContact CG2-CG2 4.32Å; V107-F143 HydrophobicContact CG2-CB 4.02Å; V107-F143 HydrophobicContact CG2-CD1 4.03Å; V107-S144 PolarHBondContact N-O 3.48Å; V107-F145 HydrophobicContact CB-CD1 4.35Å; V107-F145 HydrophobicContact CB-CD2 4.43Å; V107-F145 HydrophobicContact CB-CE1 4.14Å; V107-F145 HydrophobicContact CB-CE2 4.2Å; V107-F145 HydrophobicContact CB-CG 4.48Å; V107-F145 HydrophobicContact CB-CZ 4.06Å; V107-F145 HydrophobicContact CG1-CE1 3.98Å; V107-F145 HydrophobicContact CG1-CZ 4.09Å; V107-F145 HydrophobicContact CG2-CD2 4.37Å; V107-F145 HydrophobicContact CG2-CE2 3.85Å; V107-F145 HydrophobicContact CG2-CZ 3.94Å; V107-W148 HydrophobicContact CG1-CZ2 4.24Å; V107-W148 PolarHBondContact O-NE1 2.75Å; V107-V170 HydrophobicContact CG2-CG2 4.06Å
108Q97.7Very high97.6Very high8 Ų835.5 Ų35.54%0.03719%0.188CC..  trans-80.6159.2179.3-55.5-64-58.900111.5K112 Y114 T115 T117 W148Q108-K112 HydrophobicContact CB-CB 3.7Å; Q108-K112 HydrophobicContact CB-CD 3.93Å; Q108-K112 HydrophobicContact CB-CG 4.42Å; Q108-K112 HydrophobicContact CG-CB 4.34Å; Q108-K112 HydrophobicContact CG-CD 3.94Å; Q108-Y114 WeakPolarHBondContact O-CA 3.41Å; Q108-T115 VanDerWaalsContact CB-O 3.27Å; Q108-T115 WeakPolarHBondContact CB-O 3.4Å; Q108-T115 WeakPolarHBondContact CG-O 3.33Å; Q108-T115 PolarHBondContact N-O 2.81Å; Q108-T117 HydrophobicContact CG-CG2 4.01Å; Q108-T117 PolarHBondContact NE2-OG1 3.43Å; Q108-W148 PolarHBondContact O-NE1 3.38Å
109G95.4Very high97.6Very high8 Ų834.9 Ų34.98%0.08218%0.184CC..  trans-72.6-176.8176.700000114.6K111 K112 Y114 D152G109-K111 VanDerWaalsContact C-N 3.3Å; G109-K111 PolarHBondContact O-N 2.83Å; G109-K112 CarbonylContact O-C 3.52Å; G109-K112 PolarHBondContact O-N 2.88Å; G109-Y114 PolarHBondContact O-N 3.31Å; G109-D152 WeakPolarHBondContact CA-OD1 3.46Å
110E93.3Very high97.5Very high75 Ų7540.4 Ų40.435%0.3522%0.22SC..G310 helixtrans-57.2-41.7-172.4-179.7-179.1-172.100112.4K112 A113 Y114 D152 A155 K162E110-K112 PolarHBondContact O-N 3.24Å; E110-K112 VanDerWaalsContact O-N 3.1Å; E110-A113 WeakPolarHBondContact O-CA 3.44Å; E110-A113 PolarHBondContact O-N 2.99Å; E110-Y114 HydrophobicContact CB-CE1 4Å; E110-Y114 WeakPolarHBondContact CB-OH 3.34Å; E110-Y114 WeakPolarHBondContact CG-OH 3.46Å; E110-D152 PolarHBondContact N-OD1 3Å; E110-D152 VanDerWaalsContact N-OD1 3.11Å; E110-A155 VanDerWaalsContact OE2-CB 3.28Å; E110-A155 WeakPolarHBondContact OE2-CB 3.33Å; E110-K162 WeakPolarHBondContact OE1-CE 3.5Å; E110-K162 IonicContact OE1-NZ 3.68Å; E110-K162 PolarHBondContact OE1-NZ 2.93Å; E110-K162 IonicContact OE2-NZ 3.96Å; E110-K162 PolarHBondContact OE2-NZ 2.82Å
111K94.6Very high97.4Very high162 Ų16244.9 Ų44.970%0.70424%0.24SC*.G310 helixtrans-58.6-26.3-178.7-72.5-175.6175-179.80113.4G109 R151G109-K111 VanDerWaalsContact C-N 3.3Å; G109-K111 PolarHBondContact O-N 2.83Å; K111-R151 VanDerWaalsContact NZ-NH1 3.14Å
112K96.7Very high97.3Very high126 Ų12645.9 Ų45.955%0.54825%0.246SC..G310 helixtrans-104.525.5175.5-62.1-176.6-174.6173.10111.4Q108 G109 E110 Y114 T115Q108-K112 HydrophobicContact CB-CB 3.7Å; Q108-K112 HydrophobicContact CB-CD 3.93Å; Q108-K112 HydrophobicContact CB-CG 4.42Å; Q108-K112 HydrophobicContact CG-CB 4.34Å; Q108-K112 HydrophobicContact CG-CD 3.94Å; G109-K112 CarbonylContact O-C 3.52Å; G109-K112 PolarHBondContact O-N 2.88Å; E110-K112 PolarHBondContact O-N 3.24Å; E110-K112 VanDerWaalsContact O-N 3.1Å; K112-Y114 PolarHBondContact O-N 3.07Å; K112-Y114 VanDerWaalsContact O-N 3.1Å; K112-T115 WeakPolarHBondContact O-CB 3.49Å; K112-T115 VanDerWaalsContact O-CG2 3.24Å; K112-T115 WeakPolarHBondContact O-CG2 3.36Å; K112-T115 PolarHBondContact O-N 3.34Å; K112-T115 PolarHBondContact O-OG1 3.01Å
113A96Very high97.2Very high41 Ų4149.2 Ų49.234%0.33926%0.264SS..THydrogen-bonded Turntrans5232.617600000114.7E110 T115 N169E110-A113 WeakPolarHBondContact O-CA 3.44Å; E110-A113 PolarHBondContact O-N 2.99Å; A113-T115 PolarHBondContact O-N 3.36Å; A113-N169 PolarHBondContact O-ND2 3.06Å
114Y97.6Very high97.1Very high4 Ų453.2 Ų53.22%0.01629%0.288CS..THydrogen-bonded Turntrans57.126.2-175.6-43.3-69.6000114.4Q108 G109 E110 K112 W148 T156 K162 K165 C166 N169Q108-Y114 WeakPolarHBondContact O-CA 3.41Å; G109-Y114 PolarHBondContact O-N 3.31Å; E110-Y114 HydrophobicContact CB-CE1 4Å; E110-Y114 WeakPolarHBondContact CB-OH 3.34Å; E110-Y114 WeakPolarHBondContact CG-OH 3.46Å; K112-Y114 PolarHBondContact O-N 3.07Å; K112-Y114 VanDerWaalsContact O-N 3.1Å; Y114-W148 HydrophobicContact CD1-CH2 4.27Å; Y114-W148 AromaticContact CD1-CZ2 3.9Å; Y114-W148 HydrophobicContact CD1-CZ2 3.9Å; Y114-W148 HydrophobicContact CE1-CH2 4.11Å; Y114-W148 HydrophobicContact CE1-CZ2 4.16Å; Y114-T156 HydrophobicContact CE1-CG2 3.97Å; Y114-T156 WeakPolarHBondContact CE1-OG1 2.98Å; Y114-T156 PolarHBondContact OH-OG1 3.01Å; Y114-T156 VanDerWaalsContact OH-OG1 3.14Å; Y114-K162 HydrophobicContact CE2-CB 4.2Å; Y114-K162 WeakPolarHBondContact OH-CB 3.28Å; Y114-K162 WeakPolarHBondContact OH-CD 3.26Å; Y114-K165 HydrophobicContact CD2-CB 4.15Å; Y114-K165 HydrophobicContact CD2-CD 4.02Å; Y114-K165 HydrophobicContact CD2-CG 3.98Å; Y114-K165 HydrophobicContact CE2-CB 4.4Å; Y114-K165 HydrophobicContact CE2-CD 4.3Å; Y114-C166 HydrophobicContact CD1-CB 3.88Å; Y114-C166 HydrophobicContact CD2-CB 4.13Å; Y114-C166 HydrophobicContact CE1-CB 4.39Å; Y114-C166 HydrophobicContact CG-CB 3.73Å; Y114-N169 VanDerWaalsContact C-ND2 3.27Å; Y114-N169 PolarHBondContact O-ND2 2.89Å
115T97.9Very high97Very high71 Ų7155.1 Ų55.144%0.43631%0.306SS..  trans-55.8151.2172.9470000110.8Q108 K112 A113Q108-T115 VanDerWaalsContact CB-O 3.27Å; Q108-T115 WeakPolarHBondContact CB-O 3.4Å; Q108-T115 WeakPolarHBondContact CG-O 3.33Å; Q108-T115 PolarHBondContact N-O 2.81Å; K112-T115 WeakPolarHBondContact O-CB 3.49Å; K112-T115 VanDerWaalsContact O-CG2 3.24Å; K112-T115 WeakPolarHBondContact O-CG2 3.36Å; K112-T115 PolarHBondContact O-N 3.34Å; K112-T115 PolarHBondContact O-OG1 3.01Å; A113-T115 PolarHBondContact O-N 3.36Å
116V98.5Very high97Very high19 Ų1955.3 Ų55.312%0.11531%0.307CS..EExtended strand (participates in β ladder)trans-112.1122.5177.6-176.70000108.6F105 E106 V107 F143 N169 I173F105-V116 HydrophobicContact CB-CG1 3.64Å; F105-V116 HydrophobicContact CD1-CG1 4.16Å; F105-V116 HydrophobicContact CG-CG1 4.02Å; E106-V116 WeakPolarHBondContact O-CA 3.45Å; V107-V116 HydrophobicContact CG2-CG2 4.32Å; V116-F143 HydrophobicContact CG1-CD1 4.08Å; V116-F143 HydrophobicContact CG1-CE1 4.02Å; V116-N169 HydrophobicContact CG2-CB 4.45Å; V116-I173 HydrophobicContact CB-CD1 3.34Å; V116-I173 HydrophobicContact CG1-CD1 3.63Å; V116-I173 HydrophobicContact CG2-CD1 3.5Å
117T98.2Very high97Very high56 Ų5652.4 Ų52.434%0.34429%0.294SS..EExtended strand (participates in β ladder)trans-87.3167.1176.153.80000110.7F105 E106 Q108F105-T117 WeakPolarHBondContact CA-O 3.32Å; F105-T117 WeakPolarHBondContact CD1-O 3.4Å; E106-T117 WeakPolarHBondContact CB-OG1 3.24Å; E106-T117 PolarHBondContact N-O 3.33Å; E106-T117 PolarHBondContact O-N 3.04Å; E106-T117 PolarHBondContact O-OG1 2.8Å; Q108-T117 HydrophobicContact CG-CG2 4.01Å; Q108-T117 PolarHBondContact NE2-OG1 3.43Å
118G97.8Very high96.9Very high19 Ų1955.9 Ų55.920%0.19632%0.318CS..  trans88.24179.100000115.8W104 P120 E121W104-G118 WeakPolarHBondContact O-CA 3.21Å; G118-P120 VanDerWaalsContact C-CD 3.41Å; G118-P120 VanDerWaalsContact C-N 3.31Å; G118-E121 WeakPolarHBondContact O-CB 3.27Å; G118-E121 PolarHBondContact O-N 3.2Å
119I97.7Very high96.9Very high47 Ų4759.6 Ų59.624%0.24134%0.336CS..G310 helixtrans-53.2-39.4173.2-56.8-62.8000113.5F105 E121 I122 I173 Y177F105-I119 HydrophobicContact CD1-CD1 4.3Å; F105-I119 HydrophobicContact CE1-CD1 3.83Å; F105-I119 HydrophobicContact CZ-CD1 4.48Å; I119-E121 PolarHBondContact O-N 2.98Å; I119-I122 HydrophobicContact CD1-CD1 4.3Å; I119-I122 HydrophobicContact CG2-CD1 4.16Å; I119-I122 WeakPolarHBondContact O-CB 3.37Å; I119-I122 VanDerWaalsContact O-CG1 3.28Å; I119-I122 WeakPolarHBondContact O-CG1 3.37Å; I119-I122 PolarHBondContact O-N 3.25Å; I119-I173 HydrophobicContact CD1-CD1 3.84Å; I119-I173 HydrophobicContact CD1-CG1 3.94Å; I119-I173 HydrophobicContact CD1-CG2 4.1Å; I119-Y177 HydrophobicContact CD1-CE2 4.33Å; I119-Y177 HydrophobicContact CG2-CE2 4.26Å; I119-Y177 WeakPolarHBondContact CG2-OH 3.38Å
120P97Very high96.9Very high118 Ų11859.2 Ų59.277%0.76633%0.332SS*.G310 helixtrans-64.4-18.5176.7-24.436.7000115G118 I122G118-P120 VanDerWaalsContact C-CD 3.41Å; G118-P120 VanDerWaalsContact C-N 3.31Å; P120-I122 PolarHBondContact O-N 2.98Å
121E97.1Very high97.1Very high94 Ų9459 Ų5944%0.43933%0.328SS..G310 helixtrans-76.4-11.2178.5-56.2-58.4143.600112.8P81 W104 G118 I119 N123P81-E121 HydrophobicContact CB-CB 4.44Å; P81-E121 HydrophobicContact CB-CG 4.35Å; W104-E121 HydrophobicContact CB-CB 4.15Å; W104-E121 HydrophobicContact CD2-CB 4.47Å; W104-E121 HydrophobicContact CG-CB 3.82Å; G118-E121 WeakPolarHBondContact O-CB 3.27Å; G118-E121 PolarHBondContact O-N 3.2Å; I119-E121 PolarHBondContact O-N 2.98Å; E121-N123 PolarHBondContact O-N 3.21Å; E121-N123 VanDerWaalsContact O-N 3.1Å
122I97.7Very high97.1Very high22 Ų2256.9 Ų56.911%0.11333%0.328CS..  trans-66.1113-179.8-60.4171.2000109.7W104 F105 I119 P120 T124 L127 Y177 F179W104-I122 HydrophobicContact CE3-CB 4.44Å; W104-I122 HydrophobicContact CE3-CG1 3.83Å; W104-I122 HydrophobicContact CZ3-CB 4.27Å; W104-I122 HydrophobicContact CZ3-CG1 4.04Å; W104-I122 HydrophobicContact CZ3-CG2 4.16Å; F105-I122 HydrophobicContact CE1-CD1 3.86Å; F105-I122 HydrophobicContact CE1-CG1 3.85Å; F105-I122 HydrophobicContact CZ-CD1 3.63Å; F105-I122 HydrophobicContact CZ-CG1 3.71Å; I119-I122 HydrophobicContact CD1-CD1 4.3Å; I119-I122 HydrophobicContact CG2-CD1 4.16Å; I119-I122 WeakPolarHBondContact O-CB 3.37Å; I119-I122 VanDerWaalsContact O-CG1 3.28Å; I119-I122 WeakPolarHBondContact O-CG1 3.37Å; I119-I122 PolarHBondContact O-N 3.25Å; P120-I122 PolarHBondContact O-N 2.98Å; I122-T124 HydrophobicContact CG2-CG2 4.13Å; I122-L127 HydrophobicContact CG2-CD1 4.12Å; I122-Y177 HydrophobicContact CD1-CD1 3.98Å; I122-Y177 HydrophobicContact CD1-CD2 3.54Å; I122-Y177 HydrophobicContact CD1-CE1 3.84Å; I122-Y177 HydrophobicContact CD1-CE2 3.35Å; I122-Y177 HydrophobicContact CD1-CG 3.85Å; I122-Y177 HydrophobicContact CG2-CD1 4.14Å; I122-Y177 HydrophobicContact CG2-CE1 4.41Å; I122-F179 HydrophobicContact CD1-CE2 4.45Å; I122-F179 HydrophobicContact CD1-CZ 4.39Å; I122-F179 HydrophobicContact CG1-CZ 4.48Å; I122-F179 HydrophobicContact CG2-CZ 4.29Å
123N95.9Very high96.9Very high70 Ų7053.5 Ų53.537%0.37432%0.318SS..  trans-100.292.8175.4-174-21.8000111.1E121 A125 W126 L127E121-N123 PolarHBondContact O-N 3.21Å; E121-N123 VanDerWaalsContact O-N 3.1Å; N123-A125 VanDerWaalsContact C-N 3.33Å; N123-A125 PolarHBondContact O-N 3.33Å; N123-A125 PolarHBondContact OD1-N 3.1Å; N123-W126 HydrophobicContact CB-CB 3.91Å; N123-W126 PolarHBondContact O-N 2.91Å; N123-W126 WeakPolarHBondContact OD1-CB 3.47Å; N123-W126 PolarHBondContact OD1-N 3.03Å; N123-L127 VanDerWaalsContact O-CG 3.29Å; N123-L127 WeakPolarHBondContact O-CG 3.46Å; N123-L127 PolarHBondContact O-N 2.8Å
124T95.9Very high97Very high88 Ų8853 Ų5354%0.5431%0.309SS..Hα-helixtrans-66.1-30.7-177.253.60000114.2I122 S128I122-T124 HydrophobicContact CG2-CG2 4.13Å; T124-S128 PolarHBondContact O-N 3.1Å; T124-S128 VanDerWaalsContact O-N 3.13Å; T124-S128 PolarHBondContact O-OG 3.39Å
125A97.1Very high96.9Very high52 Ų5258 Ų5843%0.4334%0.343SS..Hα-helixtrans-64.6-49.3174.100000110.3N123 L127 S128 E129N123-A125 VanDerWaalsContact C-N 3.33Å; N123-A125 PolarHBondContact O-N 3.33Å; N123-A125 PolarHBondContact OD1-N 3.1Å; A125-L127 VanDerWaalsContact C-N 3.35Å; A125-L127 PolarHBondContact O-N 3.27Å; A125-S128 WeakPolarHBondContact O-CB 3.26Å; A125-S128 PolarHBondContact O-N 3.27Å; A125-E129 WeakPolarHBondContact O-CG 3.34Å; A125-E129 PolarHBondContact O-N 3.18Å
126W97.8Very high96.8Very high5 Ų557 Ų572%0.01935%0.346CS..Hα-helixtrans-61-40.9176.6174.976000112.9V79 Y87 A90 I100 P102 W104 N123 S128 E129 I130V79-W126 HydrophobicContact CB-CH2 4.21Å; V79-W126 HydrophobicContact CB-CZ2 4.37Å; V79-W126 HydrophobicContact CG1-CH2 4.16Å; V79-W126 HydrophobicContact CG1-CZ2 4Å; V79-W126 HydrophobicContact CG2-CH2 4.16Å; V79-W126 HydrophobicContact CG2-CZ2 4.09Å; Y87-W126 HydrophobicContact CD1-CB 4.46Å; Y87-W126 AromaticContact CD1-CD1 3.71Å; Y87-W126 AromaticContact CD1-CD2 3.42Å; Y87-W126 HydrophobicContact CD1-CD2 3.42Å; Y87-W126 VanDerWaalsContact CD1-CD2 3.42Å; Y87-W126 AromaticContact CD1-CE2 3.26Å; Y87-W126 HydrophobicContact CD1-CE3 4.04Å; Y87-W126 AromaticContact CD1-CG 3.64Å; Y87-W126 HydrophobicContact CD1-CG 3.64Å; Y87-W126 HydrophobicContact CD1-CH2 4.34Å; Y87-W126 AromaticContact CD1-CZ2 3.74Å; Y87-W126 HydrophobicContact CD1-CZ2 3.74Å; Y87-W126 HydrophobicContact CD1-CZ3 4.47Å; Y87-W126 AromaticContact CD1-NE1 3.49Å; Y87-W126 AromaticContact CE1-CD2 3.81Å; Y87-W126 HydrophobicContact CE1-CD2 3.81Å; Y87-W126 AromaticContact CE1-CE2 3.93Å; Y87-W126 AromaticContact CE1-CE3 3.94Å; Y87-W126 HydrophobicContact CE1-CE3 3.94Å; Y87-W126 HydrophobicContact CE1-CG 4.3Å; Y87-W126 HydrophobicContact CE1-CH2 4.3Å; Y87-W126 HydrophobicContact CE1-CZ2 4.15Å; Y87-W126 HydrophobicContact CE1-CZ3 4.2Å; Y87-W126 AromaticContact CG-CE2 3.99Å; Y87-W126 HydrophobicContact CG-CZ2 4.3Å; Y87-W126 AromaticContact CG-NE1 3.95Å; Y87-W126 PolarHBondContact O-NE1 2.74Å; A90-W126 HydrophobicContact CB-CZ2 3.73Å; I100-W126 HydrophobicContact CD1-CH2 3.74Å; I100-W126 HydrophobicContact CD1-CZ2 3.84Å; I100-W126 HydrophobicContact CG1-CH2 4.42Å; P102-W126 HydrophobicContact CB-CZ3 4.44Å; P102-W126 HydrophobicContact CG-CH2 4.01Å; P102-W126 HydrophobicContact CG-CZ3 3.77Å; W104-W126 HydrophobicContact CH2-CE3 4.13Å; W104-W126 AromaticContact CH2-CZ3 3.84Å; W104-W126 HydrophobicContact CH2-CZ3 3.84Å; W104-W126 HydrophobicContact CZ2-CE3 4.1Å; W104-W126 AromaticContact CZ2-CZ3 3.78Å; W104-W126 HydrophobicContact CZ2-CZ3 3.78Å; N123-W126 HydrophobicContact CB-CB 3.91Å; N123-W126 PolarHBondContact O-N 2.91Å; N123-W126 WeakPolarHBondContact OD1-CB 3.47Å; N123-W126 PolarHBondContact OD1-N 3.03Å; W126-S128 PolarHBondContact O-N 2.99Å; W126-E129 PolarHBondContact O-N 2.75Å; W126-I130 HydrophobicContact CD2-CD1 3.48Å; W126-I130 VanDerWaalsContact CD2-CD1 3.48Å; W126-I130 HydrophobicContact CD2-CG1 4.39Å; W126-I130 HydrophobicContact CE3-CD1 3.89Å; W126-I130 HydrophobicContact CG-CD1 4.16Å; W126-I130 HydrophobicContact CH2-CD1 3.58Å; W126-I130 HydrophobicContact CZ2-CD1 3.15Å; W126-I130 HydrophobicContact CZ2-CG1 4.45Å; W126-I130 HydrophobicContact CZ3-CD1 3.92Å; W126-I130 WeakPolarHBondContact O-CG1 3.42Å; W126-I130 PolarHBondContact O-N 2.77Å
127L97.9Very high96.8Very high15 Ų1556.1 Ų56.18%0.07934%0.341CS..Hα-helixtrans-57.9-39.7173.9-66.4173.8000111.8W104 I122 N123 A125 R131 I139 F179W104-L127 HydrophobicContact CH2-CD1 4.35Å; W104-L127 HydrophobicContact CH2-CD2 3.94Å; W104-L127 HydrophobicContact CH2-CG 4.25Å; W104-L127 HydrophobicContact CZ3-CD1 4.5Å; W104-L127 HydrophobicContact CZ3-CD2 4.43Å; I122-L127 HydrophobicContact CG2-CD1 4.12Å; N123-L127 VanDerWaalsContact O-CG 3.29Å; N123-L127 WeakPolarHBondContact O-CG 3.46Å; N123-L127 PolarHBondContact O-N 2.8Å; A125-L127 VanDerWaalsContact C-N 3.35Å; A125-L127 PolarHBondContact O-N 3.27Å; L127-R131 WeakPolarHBondContact O-CG 3.43Å; L127-R131 PolarHBondContact O-N 3.14Å; L127-I139 HydrophobicContact CB-CD1 4.23Å; L127-I139 HydrophobicContact CD2-CD1 3.55Å; L127-I139 HydrophobicContact CD2-CG2 3.69Å; L127-I139 HydrophobicContact CG-CD1 4.46Å; L127-F179 HydrophobicContact CD1-CE1 3.72Å; L127-F179 HydrophobicContact CD1-CZ 4.29Å; L127-F179 HydrophobicContact CD2-CE1 4.27Å
128S97.4Very high96.8Very high73 Ų7357.7 Ų57.751%0.5134%0.343SS..Hα-helixtrans-70.5-40178.1-55.10000112.1T124 A125 W126 R131 T132T124-S128 PolarHBondContact O-N 3.1Å; T124-S128 VanDerWaalsContact O-N 3.13Å; T124-S128 PolarHBondContact O-OG 3.39Å; A125-S128 WeakPolarHBondContact O-CB 3.26Å; A125-S128 PolarHBondContact O-N 3.27Å; W126-S128 PolarHBondContact O-N 2.99Å; S128-R131 PolarHBondContact O-N 2.79Å; S128-T132 PolarHBondContact O-N 3Å; S128-T132 PolarHBondContact O-OG1 2.99Å
129E96.8Very high96.9Very high87 Ų8756.8 Ų56.841%0.40733%0.334SS..Hα-helixtrans-61.9-45.4176.5-72.3172.2-157.800111.5K91 A125 W126 R131 T132 V133K91-E129 HydrophobicContact CD-CB 4.34Å; K91-E129 WeakPolarHBondContact CD-OE2 3.46Å; K91-E129 HydrophobicContact CG-CB 4.43Å; K91-E129 IonicContact NZ-OE2 3.11Å; A125-E129 WeakPolarHBondContact O-CG 3.34Å; A125-E129 PolarHBondContact O-N 3.18Å; W126-E129 PolarHBondContact O-N 2.75Å; E129-R131 PolarHBondContact O-N 3.15Å; E129-T132 VanDerWaalsContact O-CB 3.31Å; E129-T132 WeakPolarHBondContact O-CB 3.36Å; E129-T132 PolarHBondContact O-N 2.97Å; E129-T132 VanDerWaalsContact O-N 3.11Å; E129-V133 WeakPolarHBondContact O-CG2 3.44Å; E129-V133 PolarHBondContact O-N 3.32Å; E129-V133 VanDerWaalsContact O-N 3.12Å
130I96.4Very high96.9Very high0 Ų054.6 Ų54.60%032%0.322CS..Hα-helixtrans-65.3-40.9177.9-62.4168.6000111.3A90 K91 I100 W126 T132 V133 N134 I137A90-I130 HydrophobicContact CB-CD1 3.7Å; A90-I130 HydrophobicContact CB-CG1 4.14Å; K91-I130 HydrophobicContact CG-CG1 4.46Å; I100-I130 HydrophobicContact CD1-CD1 3.72Å; W126-I130 HydrophobicContact CD2-CD1 3.48Å; W126-I130 VanDerWaalsContact CD2-CD1 3.48Å; W126-I130 HydrophobicContact CD2-CG1 4.39Å; W126-I130 HydrophobicContact CE3-CD1 3.89Å; W126-I130 HydrophobicContact CG-CD1 4.16Å; W126-I130 HydrophobicContact CH2-CD1 3.58Å; W126-I130 HydrophobicContact CZ2-CD1 3.15Å; W126-I130 HydrophobicContact CZ2-CG1 4.45Å; W126-I130 HydrophobicContact CZ3-CD1 3.92Å; W126-I130 WeakPolarHBondContact O-CG1 3.42Å; W126-I130 PolarHBondContact O-N 2.77Å; I130-T132 PolarHBondContact O-N 2.93Å; I130-V133 PolarHBondContact O-N 2.87Å; I130-V133 VanDerWaalsContact O-N 3.14Å; I130-N134 PolarHBondContact O-N 3.06Å; I130-I137 HydrophobicContact CG2-CD1 3.6Å; I130-I137 HydrophobicContact CG2-CG2 4.01Å
131R96.6Very high97Very high71 Ų7149 Ų4927%0.26829%0.286SS..Hα-helixtrans-64.2-25.9175.4-72.9-172.5-175.1-69.55.8112.6L127 S128 E129 N134 P135 I137 I139 D180L127-R131 WeakPolarHBondContact O-CG 3.43Å; L127-R131 PolarHBondContact O-N 3.14Å; S128-R131 PolarHBondContact O-N 2.79Å; E129-R131 PolarHBondContact O-N 3.15Å; R131-N134 CarbonylContact O-C 3.56Å; R131-N134 VanDerWaalsContact O-C 3.29Å; R131-P135 WeakPolarHBondContact O-CA 3.04Å; R131-P135 VanDerWaalsContact O-N 3.11Å; R131-I137 HydrophobicContact CG-CG2 4.22Å; R131-I137 PolarHBondContact NH1-O 3.28Å; R131-I139 HydrophobicContact CG-CD1 4.15Å; R131-D180 IonicContact CZ-OD2 3.93Å; R131-D180 IonicContact NH1-OD2 3.34Å; R131-D180 PolarHBondContact NH1-OD2 2.92Å; R131-D180 IonicContact NH2-OD2 2.77Å; R131-D180 PolarHBondContact NH2-OD2 2.76Å
132T95.7Very high97.1Very high116 Ų11645.9 Ų45.971%0.71227%0.27SS*.Hα-helixtrans-70.5-42.1172.9-56.70000111.1S128 E129 I130S128-T132 PolarHBondContact O-N 3Å; S128-T132 PolarHBondContact O-OG1 2.99Å; E129-T132 VanDerWaalsContact O-CB 3.31Å; E129-T132 WeakPolarHBondContact O-CB 3.36Å; E129-T132 PolarHBondContact O-N 2.97Å; E129-T132 VanDerWaalsContact O-N 3.11Å; I130-T132 PolarHBondContact O-N 2.93Å
133V92.8Very high97.1Very high55 Ų5544.9 Ų44.933%0.33327%0.265SS..Hα-helixtrans-68.8-39.5178173.90000111.6K91 E129 I130K91-V133 VanDerWaalsContact O-CG2 3.29Å; K91-V133 WeakPolarHBondContact O-CG2 3.37Å; E129-V133 WeakPolarHBondContact O-CG2 3.44Å; E129-V133 PolarHBondContact O-N 3.32Å; E129-V133 VanDerWaalsContact O-N 3.12Å; I130-V133 PolarHBondContact O-N 2.87Å; I130-V133 VanDerWaalsContact O-N 3.14Å
134N96.3Very high97.2Very high30 Ų3041.6 Ų41.616%0.1625%0.248CC..  trans-139.792.4179.1-178.7-1.4000110.3G94 F97 I130 R131 G136 I137G94-N134 WeakPolarHBondContact O-CB 3.23Å; G94-N134 PolarHBondContact O-ND2 3.39Å; F97-N134 PolarHBondContact O-ND2 2.87Å; I130-N134 PolarHBondContact O-N 3.06Å; R131-N134 CarbonylContact O-C 3.56Å; R131-N134 VanDerWaalsContact O-C 3.29Å; N134-G136 PolarHBondContact O-N 2.69Å; N134-G136 VanDerWaalsContact O-N 3.11Å; N134-G136 PolarHBondContact OD1-N 3.3Å; N134-G136 VanDerWaalsContact OD1-N 3.12Å; N134-I137 HydrophobicContact CB-CB 4.09Å; N134-I137 WeakPolarHBondContact O-CB 3.19Å; N134-I137 WeakPolarHBondContact O-CG2 3.48Å; N134-I137 PolarHBondContact O-N 2.87Å; N134-I137 PolarHBondContact OD1-N 2.9Å
135P96.2Very high97.3Very high110 Ų11037.6 Ų37.671%0.71422%0.223SC*.THydrogen-bonded Turntrans-59.6-23178.8-27.335.9000114.3R131R131-P135 WeakPolarHBondContact O-CA 3.04Å; R131-P135 VanDerWaalsContact O-N 3.11Å
136G96.4Very high97.2Very high50 Ų5037.8 Ų37.852%0.51522%0.221SC..THydrogen-bonded Turntrans-85.8-5.6178.700000114.6N134N134-G136 PolarHBondContact O-N 2.69Å; N134-G136 VanDerWaalsContact O-N 3.11Å; N134-G136 PolarHBondContact OD1-N 3.3Å; N134-G136 VanDerWaalsContact OD1-N 3.12Å
137I98Very high97.1Very high0 Ų039.7 Ų39.70%023%0.234CC..  trans-65.8139.6-175.2-156.4167.5000111.8F97 I100 I130 R131 N134 I139F97-I137 HydrophobicContact CB-CD1 4.25Å; I100-I137 HydrophobicContact CB-CD1 3.98Å; I100-I137 HydrophobicContact CG2-CD1 3.99Å; I100-I137 HydrophobicContact CG2-CG1 4.33Å; I130-I137 HydrophobicContact CG2-CD1 3.6Å; I130-I137 HydrophobicContact CG2-CG2 4.01Å; R131-I137 HydrophobicContact CG-CG2 4.22Å; R131-I137 PolarHBondContact NH1-O 3.28Å; N134-I137 HydrophobicContact CB-CB 4.09Å; N134-I137 WeakPolarHBondContact O-CB 3.19Å; N134-I137 WeakPolarHBondContact O-CG2 3.48Å; N134-I137 PolarHBondContact O-N 2.87Å; N134-I137 PolarHBondContact OD1-N 2.9Å; I137-I139 HydrophobicContact CG2-CG1 4.43Å
138K98.8Very high97Very high89 Ų8939.9 Ų39.939%0.38723%0.234SC..EExtended strand (participates in β ladder)trans-102.6121.9176.1-61.4-61.7173.7-175.60110.1N98 L99 I100 D180 L215N98-K138 PolarHBondContact O-N 2.87Å; L99-K138 CarbonylContact C-O 3.44Å; L99-K138 VanDerWaalsContact CA-O 3.31Å; L99-K138 WeakPolarHBondContact CA-O 3.32Å; L99-K138 HydrophobicContact CD2-CB 3.53Å; L99-K138 HydrophobicContact CD2-CG 4.36Å; I100-K138 PolarHBondContact N-O 3.06Å; K138-D180 WeakPolarHBondContact CA-OD2 3.4Å; K138-D180 HydrophobicContact CB-CB 3.98Å; K138-D180 HydrophobicContact CD-CB 3.76Å; K138-D180 VanDerWaalsContact CD-OD1 3.29Å; K138-D180 WeakPolarHBondContact CD-OD1 3.36Å; K138-D180 HydrophobicContact CG-CB 4.47Å; K138-D180 IonicContact NZ-OD1 3.29Å; K138-D180 PolarHBondContact NZ-OD1 2.92Å; K138-L215 HydrophobicContact CB-CD1 4.03Å; K138-L215 HydrophobicContact CD-CD1 4.43Å; K138-L215 HydrophobicContact CG-CD1 4.01Å
139I98.8Very high96.7Very high1 Ų141.2 Ų41.21%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-96.8109.7-178.7-50.5-172.9000108.4I100 P102 L127 R131 I137 F179 D180I100-I139 HydrophobicContact CG2-CB 4.23Å; I100-I139 HydrophobicContact CG2-CG1 3.89Å; I100-I139 HydrophobicContact CG2-CG2 4.16Å; P102-I139 HydrophobicContact CG-CG2 4.33Å; L127-I139 HydrophobicContact CB-CD1 4.23Å; L127-I139 HydrophobicContact CD2-CD1 3.55Å; L127-I139 HydrophobicContact CD2-CG2 3.69Å; L127-I139 HydrophobicContact CG-CD1 4.46Å; R131-I139 HydrophobicContact CG-CD1 4.15Å; I137-I139 HydrophobicContact CG2-CG1 4.43Å; I139-F179 HydrophobicContact CB-CD1 4.26Å; I139-F179 HydrophobicContact CG2-CD1 3.68Å; I139-F179 HydrophobicContact CG2-CE1 3.98Å; I139-D180 PolarHBondContact N-OD2 3.4Å; I139-D180 PolarHBondContact O-N 3.46Å
140V98.9Very high96.5Very high0 Ų041.1 Ų41.10%023%0.234CC..  trans-126.273-170.3-67.30000110.2L76 L99 I100 A101 G181 V183 L215L76-V140 HydrophobicContact CD1-CG2 4.05Å; L99-V140 HydrophobicContact CB-CG2 3.9Å; L99-V140 HydrophobicContact CD2-CG1 3.83Å; L99-V140 HydrophobicContact CD2-CG2 3.84Å; L99-V140 HydrophobicContact CG-CG2 4.42Å; I100-V140 WeakPolarHBondContact O-CG2 3.31Å; I100-V140 PolarHBondContact O-N 3.31Å; A101-V140 VanDerWaalsContact CA-O 3.3Å; A101-V140 WeakPolarHBondContact CA-O 3.08Å; A101-V140 HydrophobicContact CB-CG2 4.35Å; A101-V140 VanDerWaalsContact CB-O 3.28Å; A101-V140 WeakPolarHBondContact CB-O 3.34Å; V140-G181 WeakPolarHBondContact CA-O 3.33Å; V140-V183 HydrophobicContact CB-CG2 4.31Å; V140-V183 HydrophobicContact CG2-CG2 3.98Å; V140-V183 WeakPolarHBondContact O-CG2 3.43Å; V140-L215 HydrophobicContact CG1-CB 4.34Å; V140-L215 HydrophobicContact CG1-CD1 4.31Å
141P98.9Very high96.3Very high0 Ų046.4 Ų46.40%025%0.254CS..  trans-58148.2-175.725.1-34.5000112.7P102 F105 F143 L174 F179 G181 V183P102-P141 WeakPolarHBondContact O-CA 3.34Å; F105-P141 HydrophobicContact CD2-CB 3.79Å; F105-P141 HydrophobicContact CD2-CG 4.15Å; F105-P141 HydrophobicContact CE2-CB 3.53Å; F105-P141 HydrophobicContact CE2-CG 3.65Å; P141-F143 HydrophobicContact CG-CE2 4.06Å; P141-F143 WeakPolarHBondContact O-CD2 3.3Å; P141-L174 HydrophobicContact CG-CD2 4.26Å; P141-F179 HydrophobicContact CG-CB 4.24Å; P141-F179 HydrophobicContact CG-CD1 4.11Å; P141-F179 HydrophobicContact CG-CD2 3.63Å; P141-F179 HydrophobicContact CG-CE1 4.39Å; P141-F179 HydrophobicContact CG-CE2 3.93Å; P141-F179 HydrophobicContact CG-CG 3.74Å; P141-F179 HydrophobicContact CG-CZ 4.32Å; P141-G181 WeakPolarHBondContact CD-O 3.47Å; P141-V183 PolarHBondContact O-N 2.9Å
142R98.8Very high96.2Very high30 Ų3043.4 Ų43.411%0.11324%0.244CC..EExtended strand (participates in β ladder)trans-81.1129178.6-167.2-165.277.7162.6-4.7110.8P102 V103 F105 V183 E185P102-R142 PolarHBondContact O-N 3.11Å; V103-R142 VanDerWaalsContact CG1-NH2 3.28Å; V103-R142 HydrophobicContact CG2-CB 4.48Å; F105-R142 WeakPolarHBondContact CB-O 3.42Å; F105-R142 PolarHBondContact N-O 3.15Å; R142-V183 CarbonylContact C-O 3.48Å; R142-V183 VanDerWaalsContact CA-O 3.31Å; R142-V183 WeakPolarHBondContact CA-O 3.08Å; R142-V183 HydrophobicContact CB-CB 4.24Å; R142-V183 HydrophobicContact CB-CG1 4.41Å; R142-V183 HydrophobicContact CG-CB 4.3Å; R142-V183 HydrophobicContact CG-CG1 3.98Å; R142-E185 WeakPolarHBondContact CD-OE2 3.35Å; R142-E185 HydrophobicContact CG-CB 4.46Å; R142-E185 IonicContact CZ-OE2 2.73Å; R142-E185 IonicContact NE-OE2 2.85Å; R142-E185 IonicContact NH1-OE1 3.73Å; R142-E185 IonicContact NH1-OE2 3.1Å; R142-E185 PolarHBondContact NH1-OE2 3.2Å
143F98.7Very high96.2Very high0 Ų038 Ų380%021%0.21CC..EExtended strand (participates in β ladder)trans-108.2108.9168.7-65.4-99.9000108.8F105 V107 V116 P141 V170 I173 L174 A182 V183 I184 E185F105-F143 HydrophobicContact CB-CD1 3.69Å; F105-F143 HydrophobicContact CB-CE1 3.94Å; F105-F143 HydrophobicContact CB-CG 4.15Å; F105-F143 HydrophobicContact CD2-CD1 4.05Å; F105-F143 HydrophobicContact CD2-CD2 4.28Å; F105-F143 AromaticContact CD2-CE1 3.55Å; F105-F143 HydrophobicContact CD2-CE1 3.55Å; F105-F143 AromaticContact CD2-CE2 3.79Å; F105-F143 HydrophobicContact CD2-CE2 3.79Å; F105-F143 HydrophobicContact CD2-CG 4.4Å; F105-F143 AromaticContact CD2-CZ 3.4Å; F105-F143 HydrophobicContact CD2-CZ 3.4Å; F105-F143 HydrophobicContact CE2-CE1 4.32Å; F105-F143 HydrophobicContact CE2-CE2 4.35Å; F105-F143 AromaticContact CE2-CZ 3.87Å; F105-F143 HydrophobicContact CE2-CZ 3.87Å; F105-F143 HydrophobicContact CG-CD1 4.21Å; F105-F143 AromaticContact CG-CE1 3.94Å; F105-F143 HydrophobicContact CG-CE1 3.94Å; F105-F143 HydrophobicContact CG-CZ 4.26Å; V107-F143 HydrophobicContact CG2-CB 4.02Å; V107-F143 HydrophobicContact CG2-CD1 4.03Å; V116-F143 HydrophobicContact CG1-CD1 4.08Å; V116-F143 HydrophobicContact CG1-CE1 4.02Å; P141-F143 HydrophobicContact CG-CE2 4.06Å; P141-F143 WeakPolarHBondContact O-CD2 3.3Å; F143-V170 HydrophobicContact CD1-CB 4.5Å; F143-V170 HydrophobicContact CD1-CG1 4.05Å; F143-V170 HydrophobicContact CD1-CG2 3.98Å; F143-V170 HydrophobicContact CD2-CG1 4.19Å; F143-V170 HydrophobicContact CE1-CB 4.35Å; F143-V170 HydrophobicContact CE1-CG1 3.88Å; F143-V170 HydrophobicContact CE1-CG2 4.25Å; F143-V170 HydrophobicContact CE2-CG1 4.04Å; F143-V170 HydrophobicContact CG-CG1 4.2Å; F143-V170 HydrophobicContact CZ-CG1 3.88Å; F143-I173 HydrophobicContact CE1-CD1 4.26Å; F143-I173 HydrophobicContact CE1-CG2 4.45Å; F143-I173 HydrophobicContact CZ-CB 4.5Å; F143-I173 HydrophobicContact CZ-CG2 4.18Å; F143-L174 HydrophobicContact CE2-CD2 3.77Å; F143-L174 HydrophobicContact CE2-CG 4.5Å; F143-L174 HydrophobicContact CZ-CD2 3.92Å; F143-L174 HydrophobicContact CZ-CG 4.39Å; F143-A182 HydrophobicContact CD2-CB 3.83Å; F143-A182 HydrophobicContact CE2-CB 3.9Å; F143-V183 PolarHBondContact N-O 3.29Å; F143-I184 HydrophobicContact CB-CD1 4.05Å; F143-I184 HydrophobicContact CD2-CD1 4.37Å; F143-I184 HydrophobicContact CG-CD1 4.49Å; F143-E185 PolarHBondContact O-N 3.09Å
144S98.1Very high96.1Very high2 Ų237 Ų371%0.01421%0.208CC..EExtended strand (participates in β ladder)trans-88.6141.9175.1-176.40000111F105 E106 V107 S146F105-S144 PolarHBondContact O-N 3.32Å; E106-S144 CarbonylContact C-O 3.5Å; E106-S144 WeakPolarHBondContact CA-O 3.4Å; V107-S144 PolarHBondContact N-O 3.48Å; S144-S146 VanDerWaalsContact C-N 3.35Å; S144-S146 VanDerWaalsContact OG-CB 3.27Å; S144-S146 WeakPolarHBondContact OG-CB 3.32Å; S144-S146 PolarHBondContact OG-N 3.42Å; S144-S146 VanDerWaalsContact OG-N 3.12Å; S144-S146 PolarHBondContact OG-OG 3.38Å
145F97Very high95.9Very high3 Ų337.1 Ų37.11%0.01321%0.213CC..  trans-98.917.3170.7-74.3-112.4000111.7V107 P147 W148 I184 E185 M186 Q189 F201V107-F145 HydrophobicContact CB-CD1 4.35Å; V107-F145 HydrophobicContact CB-CD2 4.43Å; V107-F145 HydrophobicContact CB-CE1 4.14Å; V107-F145 HydrophobicContact CB-CE2 4.2Å; V107-F145 HydrophobicContact CB-CG 4.48Å; V107-F145 HydrophobicContact CB-CZ 4.06Å; V107-F145 HydrophobicContact CG1-CE1 3.98Å; V107-F145 HydrophobicContact CG1-CZ 4.09Å; V107-F145 HydrophobicContact CG2-CD2 4.37Å; V107-F145 HydrophobicContact CG2-CE2 3.85Å; V107-F145 HydrophobicContact CG2-CZ 3.94Å; F145-P147 VanDerWaalsContact C-N 3.29Å; F145-P147 VanDerWaalsContact O-N 3.12Å; F145-W148 HydrophobicContact CB-CG 4.31Å; F145-W148 AromaticContact CD1-CD2 3.79Å; F145-W148 HydrophobicContact CD1-CD2 3.79Å; F145-W148 AromaticContact CD1-CE2 3.4Å; F145-W148 HydrophobicContact CD1-CE3 4.28Å; F145-W148 HydrophobicContact CD1-CG 4.26Å; F145-W148 HydrophobicContact CD1-CH2 4.08Å; F145-W148 AromaticContact CD1-CZ2 3.58Å; F145-W148 HydrophobicContact CD1-CZ2 3.58Å; F145-W148 HydrophobicContact CD1-CZ3 4.41Å; F145-W148 AromaticContact CD1-NE1 3.62Å; F145-W148 AromaticContact CE1-CE2 3.85Å; F145-W148 AromaticContact CE1-CH2 3.93Å; F145-W148 HydrophobicContact CE1-CH2 3.93Å; F145-W148 AromaticContact CE1-CZ2 3.52Å; F145-W148 HydrophobicContact CE1-CZ2 3.52Å; F145-W148 VanDerWaalsContact O-CB 3.23Å; F145-W148 WeakPolarHBondContact O-CB 3.47Å; F145-W148 PolarHBondContact O-N 3.29Å; F145-I184 HydrophobicContact CD2-CG2 4.5Å; F145-I184 HydrophobicContact CE2-CG2 4.05Å; F145-E185 PolarHBondContact N-O 2.8Å; F145-M186 HydrophobicContact CB-CB 4Å; F145-M186 HydrophobicContact CD1-CE 4.4Å; F145-M186 HydrophobicContact CD2-CB 3.96Å; F145-M186 HydrophobicContact CD2-CE 3.88Å; F145-M186 HydrophobicContact CE1-CE 4.07Å; F145-M186 HydrophobicContact CE2-CE 3.5Å; F145-M186 HydrophobicContact CG-CB 3.97Å; F145-M186 HydrophobicContact CG-CE 4.34Å; F145-M186 HydrophobicContact CZ-CE 3.61Å; F145-Q189 PolarHBondContact O-OE1 3.27Å; F145-F201 HydrophobicContact CE1-CZ 4.31Å; F145-F201 HydrophobicContact CZ-CE1 4.44Å; F145-F201 HydrophobicContact CZ-CZ 4.34Å
146S94.6Very high95.9Very high56 Ų5631.9 Ų31.939%0.39218%0.179SC..THydrogen-bonded Turntrans-53.1-31.8-176.241.40000115.6E106 S144 W148E106-S146 PolarHBondContact OE1-OG 3.27Å; S144-S146 VanDerWaalsContact C-N 3.35Å; S144-S146 VanDerWaalsContact OG-CB 3.27Å; S144-S146 WeakPolarHBondContact OG-CB 3.32Å; S144-S146 PolarHBondContact OG-N 3.42Å; S144-S146 VanDerWaalsContact OG-N 3.12Å; S144-S146 PolarHBondContact OG-OG 3.38Å; S146-W148 PolarHBondContact O-N 3.28Å
147P95.5Very high95.6Very high45 Ų4530.4 Ų30.429%0.29216%0.158SC..THydrogen-bonded Turntrans-74.7-4.4177-18.334.2000114.6E106 F145E106-P147 HydrophobicContact CB-CG 3.92Å; F145-P147 VanDerWaalsContact C-N 3.29Å; F145-P147 VanDerWaalsContact O-N 3.12Å
148W95.8Very high95.1Very high19 Ų1937.7 Ų37.77%0.07219%0.19CC..  trans-80.2138.2-175.5-7345.8000111.7V107 Q108 Y114 F145 S146 D152 F153 T156 F157V107-W148 HydrophobicContact CG1-CZ2 4.24Å; V107-W148 PolarHBondContact O-NE1 2.75Å; Q108-W148 PolarHBondContact O-NE1 3.38Å; Y114-W148 HydrophobicContact CD1-CH2 4.27Å; Y114-W148 AromaticContact CD1-CZ2 3.9Å; Y114-W148 HydrophobicContact CD1-CZ2 3.9Å; Y114-W148 HydrophobicContact CE1-CH2 4.11Å; Y114-W148 HydrophobicContact CE1-CZ2 4.16Å; F145-W148 HydrophobicContact CB-CG 4.31Å; F145-W148 AromaticContact CD1-CD2 3.79Å; F145-W148 HydrophobicContact CD1-CD2 3.79Å; F145-W148 AromaticContact CD1-CE2 3.4Å; F145-W148 HydrophobicContact CD1-CE3 4.28Å; F145-W148 HydrophobicContact CD1-CG 4.26Å; F145-W148 HydrophobicContact CD1-CH2 4.08Å; F145-W148 AromaticContact CD1-CZ2 3.58Å; F145-W148 HydrophobicContact CD1-CZ2 3.58Å; F145-W148 HydrophobicContact CD1-CZ3 4.41Å; F145-W148 AromaticContact CD1-NE1 3.62Å; F145-W148 AromaticContact CE1-CE2 3.85Å; F145-W148 AromaticContact CE1-CH2 3.93Å; F145-W148 HydrophobicContact CE1-CH2 3.93Å; F145-W148 AromaticContact CE1-CZ2 3.52Å; F145-W148 HydrophobicContact CE1-CZ2 3.52Å; F145-W148 VanDerWaalsContact O-CB 3.23Å; F145-W148 WeakPolarHBondContact O-CB 3.47Å; F145-W148 PolarHBondContact O-N 3.29Å; S146-W148 PolarHBondContact O-N 3.28Å; W148-D152 HydrophobicContact CB-CB 4.12Å; W148-D152 HydrophobicContact CD2-CB 3.84Å; W148-D152 HydrophobicContact CE3-CB 3.63Å; W148-D152 HydrophobicContact CG-CB 4.1Å; W148-D152 HydrophobicContact CZ3-CB 4.34Å; W148-F153 HydrophobicContact CB-CD2 4.43Å; W148-F153 HydrophobicContact CB-CE1 4.25Å; W148-F153 HydrophobicContact CB-CE2 3.8Å; W148-F153 HydrophobicContact CB-CZ 3.69Å; W148-F153 HydrophobicContact CD2-CE1 4.3Å; W148-F153 AromaticContact CE3-CD1 3.54Å; W148-F153 HydrophobicContact CE3-CD1 3.54Å; W148-F153 AromaticContact CE3-CE1 3.69Å; W148-F153 HydrophobicContact CE3-CE1 3.69Å; W148-F153 HydrophobicContact CE3-CG 4.03Å; W148-F153 HydrophobicContact CE3-CZ 4.29Å; W148-F153 HydrophobicContact CG-CZ 4.41Å; W148-F153 HydrophobicContact CZ3-CD1 4.02Å; W148-F153 HydrophobicContact CZ3-CE1 4.4Å; W148-T156 HydrophobicContact CH2-CG2 3.88Å; W148-T156 HydrophobicContact CZ3-CG2 4.29Å; W148-F157 HydrophobicContact CH2-CE1 4.41Å; W148-F157 HydrophobicContact CZ3-CD1 4.49Å; W148-F157 AromaticContact CZ3-CE1 3.92Å; W148-F157 HydrophobicContact CZ3-CE1 3.92Å
149E92.4Very high94.9Very high101 Ų10136.3 Ų36.347%0.47219%0.187SC..  trans-102.1170.4169.4-63.3168.2-152.500110.2R151 D152 F153E149-R151 HydrophobicContact CB-CG 4.16Å; E149-R151 PolarHBondContact O-N 3.36Å; E149-R151 IonicContact OE1-CZ 2.75Å; E149-R151 IonicContact OE1-NH2 3.28Å; E149-R151 PolarHBondContact OE1-NH2 2.81Å; E149-R151 IonicContact OE2-CZ 3.28Å; E149-R151 IonicContact OE2-NE 2.7Å; E149-R151 PolarHBondContact OE2-NE 2.8Å; E149-R151 IonicContact OE2-NH1 3.03Å; E149-R151 PolarHBondContact OE2-NH1 2.83Å; E149-R151 IonicContact OE2-NH2 2.79Å; E149-R151 PolarHBondContact OE2-NH2 2.9Å; E149-D152 PolarHBondContact N-OD2 3.23Å; E149-D152 WeakPolarHBondContact O-CB 3.33Å; E149-D152 PolarHBondContact O-N 3.1Å; E149-F153 WeakPolarHBondContact O-CD2 3.41Å; E149-F153 PolarHBondContact O-N 2.98Å
150N92.3Very high94.8Very high85 Ų8540.8 Ų40.846%0.45521%0.214SC..Hα-helixtrans-48.4-37.4175.2-69-6.8000113.3D152 A154 S191N150-D152 VanDerWaalsContact C-N 3.34Å; N150-D152 PolarHBondContact O-N 3.26Å; N150-A154 WeakPolarHBondContact O-CB 3.31Å; N150-A154 PolarHBondContact O-N 3.25Å; N150-S191 WeakPolarHBondContact OD1-CB 3.32Å; N150-S191 PolarHBondContact OD1-O 2.89Å; N150-S191 PolarHBondContact OD1-OG 2.87Å
151R92.1Very high94.7Very high112 Ų11245 Ų4542%0.42324%0.243SC..Hα-helixtrans-66.9-33.4179.269177.3-177.3-141.2-17.5112.8K111 E149 A155K111-R151 VanDerWaalsContact NZ-NH1 3.14Å; E149-R151 HydrophobicContact CB-CG 4.16Å; E149-R151 PolarHBondContact O-N 3.36Å; E149-R151 IonicContact OE1-CZ 2.75Å; E149-R151 IonicContact OE1-NH2 3.28Å; E149-R151 PolarHBondContact OE1-NH2 2.81Å; E149-R151 IonicContact OE2-CZ 3.28Å; E149-R151 IonicContact OE2-NE 2.7Å; E149-R151 PolarHBondContact OE2-NE 2.8Å; E149-R151 IonicContact OE2-NH1 3.03Å; E149-R151 PolarHBondContact OE2-NH1 2.83Å; E149-R151 IonicContact OE2-NH2 2.79Å; E149-R151 PolarHBondContact OE2-NH2 2.9Å; R151-A155 WeakPolarHBondContact O-CB 3.35Å; R151-A155 PolarHBondContact O-N 3.14Å
152D94.5Very high94.6Very high8 Ų847.3 Ų47.34%0.04325%0.253CS..Hα-helixtrans-71.9-42.4-177.9-65-72.4000109.5G109 E110 W148 E149 N150 T156G109-D152 WeakPolarHBondContact CA-OD1 3.46Å; E110-D152 PolarHBondContact N-OD1 3Å; E110-D152 VanDerWaalsContact N-OD1 3.11Å; W148-D152 HydrophobicContact CB-CB 4.12Å; W148-D152 HydrophobicContact CD2-CB 3.84Å; W148-D152 HydrophobicContact CE3-CB 3.63Å; W148-D152 HydrophobicContact CG-CB 4.1Å; W148-D152 HydrophobicContact CZ3-CB 4.34Å; E149-D152 PolarHBondContact N-OD2 3.23Å; E149-D152 WeakPolarHBondContact O-CB 3.33Å; E149-D152 PolarHBondContact O-N 3.1Å; N150-D152 VanDerWaalsContact C-N 3.34Å; N150-D152 PolarHBondContact O-N 3.26Å; D152-T156 VanDerWaalsContact O-CB 3.22Å; D152-T156 WeakPolarHBondContact O-CB 3.22Å; D152-T156 PolarHBondContact O-N 3.44Å; D152-T156 PolarHBondContact O-OG1 2.8Å
153F94.3Very high94.5Very high1 Ų146.1 Ų46.10%0.00425%0.25CC..Hα-helixtrans-61.4-49.9172.2-63.3-67.1000111.8W148 E149 A155 T156 F157 F190 V193W148-F153 HydrophobicContact CB-CD2 4.43Å; W148-F153 HydrophobicContact CB-CE1 4.25Å; W148-F153 HydrophobicContact CB-CE2 3.8Å; W148-F153 HydrophobicContact CB-CZ 3.69Å; W148-F153 HydrophobicContact CD2-CE1 4.3Å; W148-F153 AromaticContact CE3-CD1 3.54Å; W148-F153 HydrophobicContact CE3-CD1 3.54Å; W148-F153 AromaticContact CE3-CE1 3.69Å; W148-F153 HydrophobicContact CE3-CE1 3.69Å; W148-F153 HydrophobicContact CE3-CG 4.03Å; W148-F153 HydrophobicContact CE3-CZ 4.29Å; W148-F153 HydrophobicContact CG-CZ 4.41Å; W148-F153 HydrophobicContact CZ3-CD1 4.02Å; W148-F153 HydrophobicContact CZ3-CE1 4.4Å; E149-F153 WeakPolarHBondContact O-CD2 3.41Å; E149-F153 PolarHBondContact O-N 2.98Å; F153-A155 PolarHBondContact O-N 3.47Å; F153-T156 PolarHBondContact O-N 3.08Å; F153-F157 HydrophobicContact CD1-CE1 4.21Å; F153-F157 AromaticContact CD1-CE2 3.85Å; F153-F157 HydrophobicContact CD1-CE2 3.85Å; F153-F157 AromaticContact CD1-CZ 3.62Å; F153-F157 HydrophobicContact CD1-CZ 3.62Å; F153-F157 HydrophobicContact CE1-CZ 4.18Å; F153-F157 WeakPolarHBondContact O-CB 3.35Å; F153-F157 PolarHBondContact O-N 2.7Å; F153-F190 HydrophobicContact CD1-CD2 4.11Å; F153-F190 HydrophobicContact CG-CD2 4.34Å; F153-V193 HydrophobicContact CB-CG2 3.55Å; F153-V193 HydrophobicContact CG-CG2 4.45Å
154A92.1Very high94.5Very high36 Ų3648.7 Ų48.730%0.29826%0.263SS..Hα-helixtrans-60.9-41.4179.900000113.5N150 V193N150-A154 WeakPolarHBondContact O-CB 3.31Å; N150-A154 PolarHBondContact O-N 3.25Å; A154-V193 VanDerWaalsContact CA-CG1 3.49Å; A154-V193 HydrophobicContact CB-CG1 3.87Å
155A92Very high94.5Very high31 Ų3153.7 Ų53.726%0.25629%0.285SS..Hα-helixtrans-75.3-33.3-179.400000112.7E110 R151 F153 K162E110-A155 VanDerWaalsContact OE2-CB 3.28Å; E110-A155 WeakPolarHBondContact OE2-CB 3.33Å; R151-A155 WeakPolarHBondContact O-CB 3.35Å; R151-A155 PolarHBondContact O-N 3.14Å; F153-A155 PolarHBondContact O-N 3.47Å; A155-K162 WeakPolarHBondContact O-CD 3.32Å
156T94.9Very high94.5Very high0 Ų053.6 Ų53.60%029%0.285CS..Hα-helixtrans-86.3-48.1-174.5-50.20000112.4Y114 W148 D152 F153 K158 D159 K162 T163Y114-T156 HydrophobicContact CE1-CG2 3.97Å; Y114-T156 WeakPolarHBondContact CE1-OG1 2.98Å; Y114-T156 PolarHBondContact OH-OG1 3.01Å; Y114-T156 VanDerWaalsContact OH-OG1 3.14Å; W148-T156 HydrophobicContact CH2-CG2 3.88Å; W148-T156 HydrophobicContact CZ3-CG2 4.29Å; D152-T156 VanDerWaalsContact O-CB 3.22Å; D152-T156 WeakPolarHBondContact O-CB 3.22Å; D152-T156 PolarHBondContact O-N 3.44Å; D152-T156 PolarHBondContact O-OG1 2.8Å; F153-T156 PolarHBondContact O-N 3.08Å; T156-K158 PolarHBondContact O-N 3.14Å; T156-D159 PolarHBondContact O-N 3.37Å; T156-D159 VanDerWaalsContact O-N 3.1Å; T156-K162 HydrophobicContact CG2-CB 4.16Å; T156-T163 PolarHBondContact O-OG1 3.27Å
157F92.1Very high94.7Very high20 Ų2051 Ų519%0.08827%0.266CS..Hα-helixtrans-73.2-17.4-168.2-67.61.2000113.5W148 F153 F190 L198 F201W148-F157 HydrophobicContact CH2-CE1 4.41Å; W148-F157 HydrophobicContact CZ3-CD1 4.49Å; W148-F157 AromaticContact CZ3-CE1 3.92Å; W148-F157 HydrophobicContact CZ3-CE1 3.92Å; F153-F157 HydrophobicContact CD1-CE1 4.21Å; F153-F157 AromaticContact CD1-CE2 3.85Å; F153-F157 HydrophobicContact CD1-CE2 3.85Å; F153-F157 AromaticContact CD1-CZ 3.62Å; F153-F157 HydrophobicContact CD1-CZ 3.62Å; F153-F157 HydrophobicContact CE1-CZ 4.18Å; F153-F157 WeakPolarHBondContact O-CB 3.35Å; F153-F157 PolarHBondContact O-N 2.7Å; F157-F190 HydrophobicContact CD2-CD2 4.35Å; F157-F190 AromaticContact CD2-CE2 3.92Å; F157-F190 HydrophobicContact CD2-CE2 3.92Å; F157-F190 AromaticContact CE2-CD2 3.71Å; F157-F190 HydrophobicContact CE2-CD2 3.71Å; F157-F190 AromaticContact CE2-CE2 3.72Å; F157-F190 HydrophobicContact CE2-CE2 3.72Å; F157-L198 HydrophobicContact CE2-CB 4.2Å; F157-L198 HydrophobicContact CE2-CD1 3.75Å; F157-L198 HydrophobicContact CZ-CD1 4.11Å; F157-F201 HydrophobicContact CD1-CB 4.03Å; F157-F201 AromaticContact CD1-CD2 3.48Å; F157-F201 HydrophobicContact CD1-CD2 3.48Å; F157-F201 VanDerWaalsContact CD1-CD2 3.48Å; F157-F201 HydrophobicContact CD1-CE2 4.14Å; F157-F201 AromaticContact CD1-CG 3.83Å; F157-F201 HydrophobicContact CD1-CG 3.83Å; F157-F201 HydrophobicContact CD2-CB 4.37Å; F157-F201 HydrophobicContact CE1-CB 4Å; F157-F201 AromaticContact CE1-CD1 3.99Å; F157-F201 HydrophobicContact CE1-CD1 3.99Å; F157-F201 AromaticContact CE1-CD2 3.36Å; F157-F201 HydrophobicContact CE1-CD2 3.36Å; F157-F201 HydrophobicContact CE1-CE1 4.37Å; F157-F201 AromaticContact CE1-CE2 3.78Å; F157-F201 HydrophobicContact CE1-CE2 3.78Å; F157-F201 AromaticContact CE1-CG 3.48Å; F157-F201 HydrophobicContact CE1-CG 3.48Å; F157-F201 VanDerWaalsContact CE1-CG 3.48Å; F157-F201 HydrophobicContact CE1-CZ 4.27Å; F157-F201 HydrophobicContact CE2-CB 4.33Å; F157-F201 HydrophobicContact CG-CB 4.22Å; F157-F201 HydrophobicContact CG-CD2 4.43Å; F157-F201 HydrophobicContact CZ-CB 4.14Å; F157-F201 HydrophobicContact CZ-CD1 4.1Å; F157-F201 HydrophobicContact CZ-CD2 4.22Å; F157-F201 AromaticContact CZ-CG 3.87Å; F157-F201 HydrophobicContact CZ-CG 3.87Å
158K87.1Confident94.9Very high152 Ų15252.3 Ų52.366%0.66127%0.268SS*.THydrogen-bonded Turntrans-92.1-4.7174.8-63.5-176178-174.90113.5T156T156-K158 PolarHBondContact O-N 3.14Å
159D94.7Very high95Very high61 Ų6153.3 Ų53.333%0.32628%0.275SS..  trans-122.7111.8-175.9-176.9-38.4000110.1T156 S161 K162 T163T156-D159 PolarHBondContact O-N 3.37Å; T156-D159 VanDerWaalsContact O-N 3.1Å; D159-S161 VanDerWaalsContact C-N 3.31Å; D159-S161 PolarHBondContact O-N 2.82Å; D159-S161 WeakPolarHBondContact OD1-CA 3.41Å; D159-S161 WeakPolarHBondContact OD1-CB 3.49Å; D159-S161 PolarHBondContact OD1-N 3.25Å; D159-K162 HydrophobicContact CB-CB 3.94Å; D159-K162 HydrophobicContact CB-CD 3.85Å; D159-K162 HydrophobicContact CB-CG 4Å; D159-K162 PolarHBondContact O-N 2.98Å; D159-K162 PolarHBondContact OD1-N 2.59Å; D159-K162 WeakPolarHBondContact OD2-CE 3.45Å; D159-T163 WeakPolarHBondContact O-CB 3.33Å; D159-T163 PolarHBondContact O-N 3.03Å; D159-T163 PolarHBondContact O-OG1 2.7Å; D159-T163 VanDerWaalsContact O-OG1 3.12Å
160V95.3Very high95.3Very high95 Ų9548.7 Ų48.758%0.57625%0.254SS*.Hα-helixtrans-57.8-42.2-177.9168.50000111.6T163 D164 R204V160-T163 PolarHBondContact O-N 2.87Å; V160-D164 VanDerWaalsContact O-CG 3.32Å; V160-D164 PolarHBondContact O-N 2.86Å; V160-R204 VanDerWaalsContact CG1-NH2 3.29Å; V160-R204 PolarHBondContact O-NH1 2.87Å
161S96.8Very high95.6Very high87 Ų8744.6 Ų44.661%0.60823%0.232SC*.Hα-helixtrans-69.1-41.4-178179.60000111.2D159 D164 K165D159-S161 VanDerWaalsContact C-N 3.31Å; D159-S161 PolarHBondContact O-N 2.82Å; D159-S161 WeakPolarHBondContact OD1-CA 3.41Å; D159-S161 WeakPolarHBondContact OD1-CB 3.49Å; D159-S161 PolarHBondContact OD1-N 3.25Å; S161-D164 PolarHBondContact O-N 2.84Å; S161-K165 WeakPolarHBondContact O-CB 3.34Å; S161-K165 PolarHBondContact O-N 3.17Å
162K97.3Very high95.9Very high49 Ų4943 Ų4321%0.21323%0.232CC..Hα-helixtrans-65.8-43.4175.4-71.8-176.8-166.2-173.10112.1E110 Y114 A155 T156 D159 K165 C166E110-K162 WeakPolarHBondContact OE1-CE 3.5Å; E110-K162 IonicContact OE1-NZ 3.68Å; E110-K162 PolarHBondContact OE1-NZ 2.93Å; E110-K162 IonicContact OE2-NZ 3.96Å; E110-K162 PolarHBondContact OE2-NZ 2.82Å; Y114-K162 HydrophobicContact CE2-CB 4.2Å; Y114-K162 WeakPolarHBondContact OH-CB 3.28Å; Y114-K162 WeakPolarHBondContact OH-CD 3.26Å; A155-K162 WeakPolarHBondContact O-CD 3.32Å; T156-K162 HydrophobicContact CG2-CB 4.16Å; D159-K162 HydrophobicContact CB-CB 3.94Å; D159-K162 HydrophobicContact CB-CD 3.85Å; D159-K162 HydrophobicContact CB-CG 4Å; D159-K162 PolarHBondContact O-N 2.98Å; D159-K162 PolarHBondContact OD1-N 2.59Å; D159-K162 WeakPolarHBondContact OD2-CE 3.45Å; K162-K165 PolarHBondContact O-N 3.32Å; K162-C166 PolarHBondContact O-N 3.03Å
163T97.5Very high96.1Very high6 Ų643.5 Ų43.54%0.03723%0.234CC..Hα-helixtrans-57.9-48.4174.7-69.20000111T156 D159 V160 K165 C166 I167 F201T156-T163 PolarHBondContact O-OG1 3.27Å; D159-T163 WeakPolarHBondContact O-CB 3.33Å; D159-T163 PolarHBondContact O-N 3.03Å; D159-T163 PolarHBondContact O-OG1 2.7Å; D159-T163 VanDerWaalsContact O-OG1 3.12Å; V160-T163 PolarHBondContact O-N 2.87Å; T163-K165 PolarHBondContact O-N 3.24Å; T163-C166 WeakPolarHBondContact O-CB 3.37Å; T163-C166 PolarHBondContact O-N 2.98Å; T163-I167 HydrophobicContact CG2-CD1 3.64Å; T163-I167 HydrophobicContact CG2-CG1 4.47Å; T163-I167 WeakPolarHBondContact O-CG1 3.11Å; T163-I167 PolarHBondContact O-N 3.47Å; T163-F201 HydrophobicContact CG2-CD2 3.61Å; T163-F201 HydrophobicContact CG2-CE2 3.83Å
164D97.9Very high96.3Very high54 Ų5443.5 Ų43.529%0.28923%0.234SC..Hα-helixtrans-61.8-42.6178-74.4-30.2000112.5V160 S161 C166 I167 Q168 R204V160-D164 VanDerWaalsContact O-CG 3.32Å; V160-D164 PolarHBondContact O-N 2.86Å; S161-D164 PolarHBondContact O-N 2.84Å; D164-C166 VanDerWaalsContact C-N 3.32Å; D164-C166 PolarHBondContact O-N 3.11Å; D164-I167 PolarHBondContact O-N 3.06Å; D164-Q168 WeakPolarHBondContact O-CB 3.45Å; D164-Q168 PolarHBondContact O-N 3.11Å; D164-R204 IonicContact OD1-CZ 2.79Å; D164-R204 IonicContact OD1-NE 3.89Å; D164-R204 PolarHBondContact OD1-NE 3.38Å; D164-R204 IonicContact OD1-NH1 3.51Å; D164-R204 PolarHBondContact OD1-NH1 3.23Å; D164-R204 VanDerWaalsContact OD1-NH1 3.11Å; D164-R204 IonicContact OD1-NH2 2.81Å; D164-R204 PolarHBondContact OD1-NH2 2.88Å; D164-R204 IonicContact OD2-CZ 3.82Å; D164-R204 VanDerWaalsContact OD2-CZ 3.28Å; D164-R204 IonicContact OD2-NH1 2.73Å; D164-R204 PolarHBondContact OD2-NH1 3.41Å; D164-R204 IonicContact OD2-NH2 2.65Å; D164-R204 PolarHBondContact OD2-NH2 2.78Å
165K98Very high96.6Very high107 Ų10746.8 Ų46.847%0.46524%0.242SC..Hα-helixtrans-60.9-43.2177.5-173.5178.3177.51770111.7Y114 S161 K162 T163 N169Y114-K165 HydrophobicContact CD2-CB 4.15Å; Y114-K165 HydrophobicContact CD2-CD 4.02Å; Y114-K165 HydrophobicContact CD2-CG 3.98Å; Y114-K165 HydrophobicContact CE2-CB 4.4Å; Y114-K165 HydrophobicContact CE2-CD 4.3Å; S161-K165 WeakPolarHBondContact O-CB 3.34Å; S161-K165 PolarHBondContact O-N 3.17Å; K162-K165 PolarHBondContact O-N 3.32Å; T163-K165 PolarHBondContact O-N 3.24Å; K165-N169 PolarHBondContact O-N 3.15Å
166C98.4Very high96.9Very high1 Ų152.8 Ų52.81%0.00726%0.262CS..Hα-helixtrans-61-52.1176.3-178.90000111.3Y114 K162 T163 D164 Q168 N169 V170Y114-C166 HydrophobicContact CD1-CB 3.88Å; Y114-C166 HydrophobicContact CD2-CB 4.13Å; Y114-C166 HydrophobicContact CE1-CB 4.39Å; Y114-C166 HydrophobicContact CG-CB 3.73Å; K162-C166 PolarHBondContact O-N 3.03Å; T163-C166 WeakPolarHBondContact O-CB 3.37Å; T163-C166 PolarHBondContact O-N 2.98Å; D164-C166 VanDerWaalsContact C-N 3.32Å; D164-C166 PolarHBondContact O-N 3.11Å; C166-Q168 VanDerWaalsContact C-N 3.34Å; C166-Q168 PolarHBondContact O-N 3.22Å; C166-N169 PolarHBondContact O-N 3.26Å; C166-V170 PolarHBondContact O-N 3.44Å
167I98.6Very high97.1Very high1 Ų155.7 Ų55.71%0.00527%0.274CS..Hα-helixtrans-59.9-44.9179.2-68168.2000110.8T163 D164 N169 V170 I171 F201 R204 L205 N208T163-I167 HydrophobicContact CG2-CD1 3.64Å; T163-I167 HydrophobicContact CG2-CG1 4.47Å; T163-I167 WeakPolarHBondContact O-CG1 3.11Å; T163-I167 PolarHBondContact O-N 3.47Å; D164-I167 PolarHBondContact O-N 3.06Å; I167-N169 VanDerWaalsContact C-N 3.28Å; I167-N169 PolarHBondContact O-N 3.24Å; I167-V170 WeakPolarHBondContact O-CB 3.48Å; I167-V170 PolarHBondContact O-N 3.15Å; I167-V170 VanDerWaalsContact O-N 3.09Å; I167-I171 HydrophobicContact CG2-CG1 4.15Å; I167-I171 WeakPolarHBondContact O-CG1 3.46Å; I167-I171 PolarHBondContact O-N 2.99Å; I167-F201 HydrophobicContact CG1-CE2 4.34Å; I167-F201 HydrophobicContact CG1-CZ 4.18Å; I167-R204 HydrophobicContact CD1-CB 4.22Å; I167-R204 HydrophobicContact CD1-CG 3.98Å; I167-L205 HydrophobicContact CB-CD1 4.48Å; I167-L205 HydrophobicContact CD1-CB 4.18Å; I167-L205 HydrophobicContact CG1-CB 4.26Å; I167-L205 HydrophobicContact CG1-CD1 4.05Å; I167-L205 HydrophobicContact CG2-CD1 4.01Å; I167-N208 HydrophobicContact CG2-CB 3.47Å; I167-N208 VanDerWaalsContact CG2-CB 3.47Å
168Q98.4Very high97.3Very high73 Ų7360.2 Ų60.234%0.34130%0.299SS..Hα-helixtrans-63.3-34.1-177.9-169.958.95300112.3D164 C166 V170 I171 N172D164-Q168 WeakPolarHBondContact O-CB 3.45Å; D164-Q168 PolarHBondContact O-N 3.11Å; C166-Q168 VanDerWaalsContact C-N 3.34Å; C166-Q168 PolarHBondContact O-N 3.22Å; Q168-V170 VanDerWaalsContact C-N 3.34Å; Q168-V170 PolarHBondContact O-N 3.12Å; Q168-I171 PolarHBondContact O-N 3.42Å; Q168-N172 PolarHBondContact NE2-OD1 3.42Å; Q168-N172 VanDerWaalsContact O-CB 3.29Å; Q168-N172 WeakPolarHBondContact O-CB 3.47Å; Q168-N172 PolarHBondContact O-N 3.33Å; Q168-N172 PolarHBondContact O-ND2 2.86Å; Q168-N172 PolarHBondContact O-OD1 3.2Å
169N98.5Very high97.9Very high40 Ų4053 Ų5321%0.21427%0.267CS..Hα-helixtrans-63.6-39.9174.7-76.4-9.7000112.1A113 Y114 V116 K165 C166 I167 I173A113-N169 PolarHBondContact O-ND2 3.06Å; Y114-N169 VanDerWaalsContact C-ND2 3.27Å; Y114-N169 PolarHBondContact O-ND2 2.89Å; V116-N169 HydrophobicContact CG2-CB 4.45Å; K165-N169 PolarHBondContact O-N 3.15Å; C166-N169 PolarHBondContact O-N 3.26Å; I167-N169 VanDerWaalsContact C-N 3.28Å; I167-N169 PolarHBondContact O-N 3.24Å; N169-I173 WeakPolarHBondContact O-CD1 3.32Å; N169-I173 PolarHBondContact O-N 2.97Å
170V98.8Very high98.1Very high3 Ų351.5 Ų51.52%0.01826%0.259CS..Hα-helixtrans-63.1-52.5172.5176.10000110V107 F143 C166 I167 Q168 N172 I173 L174V107-V170 HydrophobicContact CG2-CG2 4.06Å; F143-V170 HydrophobicContact CD1-CB 4.5Å; F143-V170 HydrophobicContact CD1-CG1 4.05Å; F143-V170 HydrophobicContact CD1-CG2 3.98Å; F143-V170 HydrophobicContact CD2-CG1 4.19Å; F143-V170 HydrophobicContact CE1-CB 4.35Å; F143-V170 HydrophobicContact CE1-CG1 3.88Å; F143-V170 HydrophobicContact CE1-CG2 4.25Å; F143-V170 HydrophobicContact CE2-CG1 4.04Å; F143-V170 HydrophobicContact CG-CG1 4.2Å; F143-V170 HydrophobicContact CZ-CG1 3.88Å; C166-V170 PolarHBondContact O-N 3.44Å; I167-V170 WeakPolarHBondContact O-CB 3.48Å; I167-V170 PolarHBondContact O-N 3.15Å; I167-V170 VanDerWaalsContact O-N 3.09Å; Q168-V170 VanDerWaalsContact C-N 3.34Å; Q168-V170 PolarHBondContact O-N 3.12Å; V170-N172 VanDerWaalsContact C-N 3.28Å; V170-N172 PolarHBondContact O-N 3.4Å; V170-I173 PolarHBondContact O-N 3.35Å; V170-I173 VanDerWaalsContact O-N 3.11Å; V170-L174 HydrophobicContact CG1-CD1 4.23Å; V170-L174 HydrophobicContact CG1-CG 4.46Å; V170-L174 WeakPolarHBondContact O-CG 3.31Å; V170-L174 PolarHBondContact O-N 3.44Å; V170-L174 VanDerWaalsContact O-N 3.11Å
171I98.8Very high98.2Very high0 Ų047 Ų470%023%0.232CC..Hα-helixtrans-57.3-39.8180-63.2-58.4000112.2I167 Q168 I173 L174 K175 L209 N212I167-I171 HydrophobicContact CG2-CG1 4.15Å; I167-I171 WeakPolarHBondContact O-CG1 3.46Å; I167-I171 PolarHBondContact O-N 2.99Å; Q168-I171 PolarHBondContact O-N 3.42Å; I171-I173 VanDerWaalsContact C-N 3.32Å; I171-I173 PolarHBondContact O-N 2.9Å; I171-L174 HydrophobicContact CD1-CD1 4.31Å; I171-L174 PolarHBondContact O-N 3.13Å; I171-K175 HydrophobicContact CG2-CD 4.09Å; I171-K175 HydrophobicContact CG2-CG 4.33Å; I171-K175 WeakPolarHBondContact O-CG 3.4Å; I171-K175 PolarHBondContact O-N 2.98Å; I171-L209 HydrophobicContact CD1-CD2 3.6Å; I171-L209 HydrophobicContact CD1-CG 4.1Å; I171-N212 HydrophobicContact CG2-CB 4.32Å
172N98.6Very high98.3Very high78 Ų7842.9 Ų42.942%0.41720%0.203SC..Hα-helixtrans-60.7-40.4178.9-74.8-17.5000112.1Q168 V170 K176Q168-N172 PolarHBondContact NE2-OD1 3.42Å; Q168-N172 VanDerWaalsContact O-CB 3.29Å; Q168-N172 WeakPolarHBondContact O-CB 3.47Å; Q168-N172 PolarHBondContact O-N 3.33Å; Q168-N172 PolarHBondContact O-ND2 2.86Å; Q168-N172 PolarHBondContact O-OD1 3.2Å; V170-N172 VanDerWaalsContact C-N 3.28Å; V170-N172 PolarHBondContact O-N 3.4Å; N172-K176 WeakPolarHBondContact O-CB 3.32Å; N172-K176 PolarHBondContact O-N 3.37Å
173I98.5Very high98.4Very high19 Ų1940.5 Ų40.510%0.09719%0.193CC..Hα-helixtrans-68.5-45176.9-68.3159.8000110.3F105 V116 I119 F143 N169 V170 I171 K175 K176 Y177 F179F105-I173 HydrophobicContact CE2-CG2 3.95Å; F105-I173 HydrophobicContact CZ-CG2 3.94Å; V116-I173 HydrophobicContact CB-CD1 3.34Å; V116-I173 HydrophobicContact CG1-CD1 3.63Å; V116-I173 HydrophobicContact CG2-CD1 3.5Å; I119-I173 HydrophobicContact CD1-CD1 3.84Å; I119-I173 HydrophobicContact CD1-CG1 3.94Å; I119-I173 HydrophobicContact CD1-CG2 4.1Å; F143-I173 HydrophobicContact CE1-CD1 4.26Å; F143-I173 HydrophobicContact CE1-CG2 4.45Å; F143-I173 HydrophobicContact CZ-CB 4.5Å; F143-I173 HydrophobicContact CZ-CG2 4.18Å; N169-I173 WeakPolarHBondContact O-CD1 3.32Å; N169-I173 PolarHBondContact O-N 2.97Å; V170-I173 PolarHBondContact O-N 3.35Å; V170-I173 VanDerWaalsContact O-N 3.11Å; I171-I173 VanDerWaalsContact C-N 3.32Å; I171-I173 PolarHBondContact O-N 2.9Å; I173-K175 VanDerWaalsContact C-N 3.28Å; I173-K175 PolarHBondContact O-N 2.97Å; I173-K176 PolarHBondContact O-N 3.19Å; I173-Y177 HydrophobicContact CG2-CD2 3.98Å; I173-Y177 HydrophobicContact CG2-CE2 4.37Å; I173-Y177 WeakPolarHBondContact O-CD2 3.47Å; I173-Y177 PolarHBondContact O-N 3.45Å; I173-Y177 VanDerWaalsContact O-N 3.08Å; I173-F179 HydrophobicContact CG2-CE2 4.26Å
174L98.8Very high98.5Very high0 Ų040.2 Ų40.20%019%0.191CC..Hα-helixtrans-58-40.8177.4-62-179.3000112.2P141 F143 V170 I171 N178 F179 G181 A182 L209 K214P141-L174 HydrophobicContact CG-CD2 4.26Å; F143-L174 HydrophobicContact CE2-CD2 3.77Å; F143-L174 HydrophobicContact CE2-CG 4.5Å; F143-L174 HydrophobicContact CZ-CD2 3.92Å; F143-L174 HydrophobicContact CZ-CG 4.39Å; V170-L174 HydrophobicContact CG1-CD1 4.23Å; V170-L174 HydrophobicContact CG1-CG 4.46Å; V170-L174 WeakPolarHBondContact O-CG 3.31Å; V170-L174 PolarHBondContact O-N 3.44Å; V170-L174 VanDerWaalsContact O-N 3.11Å; I171-L174 HydrophobicContact CD1-CD1 4.31Å; I171-L174 PolarHBondContact O-N 3.13Å; L174-N178 WeakPolarHBondContact O-CA 3.31Å; L174-N178 PolarHBondContact O-N 2.81Å; L174-N178 VanDerWaalsContact O-N 3.15Å; L174-F179 HydrophobicContact CD2-CB 3.75Å; L174-F179 HydrophobicContact CD2-CD2 4.08Å; L174-F179 HydrophobicContact CD2-CG 4.36Å; L174-F179 PolarHBondContact O-N 3.45Å; L174-G181 WeakPolarHBondContact CD2-O 3.39Å; L174-A182 HydrophobicContact CD1-CB 4.08Å; L174-A182 HydrophobicContact CD2-CB 4.39Å; L174-L209 HydrophobicContact CD1-CD2 3.43Å; L174-L209 VanDerWaalsContact CD1-CD2 3.43Å; L174-K214 HydrophobicContact CB-CD 4.33Å; L174-K214 HydrophobicContact CB-CG 4.48Å; L174-K214 HydrophobicContact CD1-CB 4.27Å; L174-K214 HydrophobicContact CD1-CG 4.05Å
175K98.6Very high98.5Very high106 Ų10639.1 Ų39.146%0.46118%0.184SC..Hα-helixtrans-69.9-49.4175.3-73.5-178.4176.4-178.90112I171 I173 Y177 N178 N212I171-K175 HydrophobicContact CG2-CD 4.09Å; I171-K175 HydrophobicContact CG2-CG 4.33Å; I171-K175 WeakPolarHBondContact O-CG 3.4Å; I171-K175 PolarHBondContact O-N 2.98Å; I173-K175 VanDerWaalsContact C-N 3.28Å; I173-K175 PolarHBondContact O-N 2.97Å; K175-Y177 VanDerWaalsContact C-N 3.26Å; K175-Y177 PolarHBondContact O-N 2.9Å; K175-N178 PolarHBondContact O-N 2.84Å; K175-N212 WeakPolarHBondContact CE-OD1 3.46Å; K175-N212 PolarHBondContact NZ-OD1 3.05Å
176K98Very high98.4Very high156 Ų15634.1 Ų34.168%0.67816%0.162SC*.Hα-helixtrans-56.9-40.2-175.7-179.3176179.4-178.30112.5N172 I173N172-K176 WeakPolarHBondContact O-CB 3.32Å; N172-K176 PolarHBondContact O-N 3.37Å; I173-K176 PolarHBondContact O-N 3.19Å
177Y97.5Very high98.2Very high62 Ų6234.3 Ų34.324%0.24316%0.163CC..THydrogen-bonded Turntrans-1059.7-177.6-62.3-74.5000113.6I119 I122 I173 K175 F179I119-Y177 HydrophobicContact CD1-CE2 4.33Å; I119-Y177 HydrophobicContact CG2-CE2 4.26Å; I119-Y177 WeakPolarHBondContact CG2-OH 3.38Å; I122-Y177 HydrophobicContact CD1-CD1 3.98Å; I122-Y177 HydrophobicContact CD1-CD2 3.54Å; I122-Y177 HydrophobicContact CD1-CE1 3.84Å; I122-Y177 HydrophobicContact CD1-CE2 3.35Å; I122-Y177 HydrophobicContact CD1-CG 3.85Å; I122-Y177 HydrophobicContact CG2-CD1 4.14Å; I122-Y177 HydrophobicContact CG2-CE1 4.41Å; I173-Y177 HydrophobicContact CG2-CD2 3.98Å; I173-Y177 HydrophobicContact CG2-CE2 4.37Å; I173-Y177 WeakPolarHBondContact O-CD2 3.47Å; I173-Y177 PolarHBondContact O-N 3.45Å; I173-Y177 VanDerWaalsContact O-N 3.08Å; K175-Y177 VanDerWaalsContact C-N 3.26Å; K175-Y177 PolarHBondContact O-N 2.9Å; Y177-F179 VanDerWaalsContact C-N 3.29Å; Y177-F179 HydrophobicContact CD2-CE2 4.12Å; Y177-F179 HydrophobicContact CG-CE2 4.04Å; Y177-F179 HydrophobicContact CG-CZ 4.31Å; Y177-F179 PolarHBondContact O-N 3.05Å
178N97.1Very high97.8Very high115 Ų11536.4 Ų36.462%0.61518%0.18SC*.THydrogen-bonded Turntrans51.144.9179.3-165.337.3000113.8L174 K175L174-N178 WeakPolarHBondContact O-CA 3.31Å; L174-N178 PolarHBondContact O-N 2.81Å; L174-N178 VanDerWaalsContact O-N 3.15Å; K175-N178 PolarHBondContact O-N 2.84Å
179F98.7Very high97.1Very high1 Ų135.4 Ų35.40%0.00418%0.175CC..  trans-75.5148.8171.9-64-51.5000110.5W104 F105 I122 L127 I139 P141 I173 L174 Y177 G181 K214W104-F179 HydrophobicContact CE3-CZ 4.39Å; W104-F179 HydrophobicContact CZ3-CE1 4.09Å; W104-F179 AromaticContact CZ3-CZ 3.84Å; W104-F179 HydrophobicContact CZ3-CZ 3.84Å; F105-F179 AromaticContact CE2-CE2 3.92Å; F105-F179 HydrophobicContact CE2-CE2 3.92Å; F105-F179 AromaticContact CZ-CE2 3.94Å; F105-F179 HydrophobicContact CZ-CE2 3.94Å; F105-F179 HydrophobicContact CZ-CZ 4.37Å; I122-F179 HydrophobicContact CD1-CE2 4.45Å; I122-F179 HydrophobicContact CD1-CZ 4.39Å; I122-F179 HydrophobicContact CG1-CZ 4.48Å; I122-F179 HydrophobicContact CG2-CZ 4.29Å; L127-F179 HydrophobicContact CD1-CE1 3.72Å; L127-F179 HydrophobicContact CD1-CZ 4.29Å; L127-F179 HydrophobicContact CD2-CE1 4.27Å; I139-F179 HydrophobicContact CB-CD1 4.26Å; I139-F179 HydrophobicContact CG2-CD1 3.68Å; I139-F179 HydrophobicContact CG2-CE1 3.98Å; P141-F179 HydrophobicContact CG-CB 4.24Å; P141-F179 HydrophobicContact CG-CD1 4.11Å; P141-F179 HydrophobicContact CG-CD2 3.63Å; P141-F179 HydrophobicContact CG-CE1 4.39Å; P141-F179 HydrophobicContact CG-CE2 3.93Å; P141-F179 HydrophobicContact CG-CG 3.74Å; P141-F179 HydrophobicContact CG-CZ 4.32Å; I173-F179 HydrophobicContact CG2-CE2 4.26Å; L174-F179 HydrophobicContact CD2-CB 3.75Å; L174-F179 HydrophobicContact CD2-CD2 4.08Å; L174-F179 HydrophobicContact CD2-CG 4.36Å; L174-F179 PolarHBondContact O-N 3.45Å; Y177-F179 VanDerWaalsContact C-N 3.29Å; Y177-F179 HydrophobicContact CD2-CE2 4.12Å; Y177-F179 HydrophobicContact CG-CE2 4.04Å; Y177-F179 HydrophobicContact CG-CZ 4.31Å; Y177-F179 PolarHBondContact O-N 3.05Å; F179-G181 VanDerWaalsContact C-N 3.33Å; F179-K214 WeakPolarHBondContact O-CD 3.3Å; F179-K214 WeakPolarHBondContact O-CE 3.24Å; F179-K214 PolarHBondContact O-NZ 3.07Å
180D98.8Very high96.6Very high29 Ų2934.5 Ų34.516%0.15517%0.17CC..SBendtrans-81.5-13.9-175.8-65.8-86000112.9R131 K138 I139 K214 L215R131-D180 IonicContact CZ-OD2 3.93Å; R131-D180 IonicContact NH1-OD2 3.34Å; R131-D180 PolarHBondContact NH1-OD2 2.92Å; R131-D180 IonicContact NH2-OD2 2.77Å; R131-D180 PolarHBondContact NH2-OD2 2.76Å; K138-D180 WeakPolarHBondContact CA-OD2 3.4Å; K138-D180 HydrophobicContact CB-CB 3.98Å; K138-D180 HydrophobicContact CD-CB 3.76Å; K138-D180 VanDerWaalsContact CD-OD1 3.29Å; K138-D180 WeakPolarHBondContact CD-OD1 3.36Å; K138-D180 HydrophobicContact CG-CB 4.47Å; K138-D180 IonicContact NZ-OD1 3.29Å; K138-D180 PolarHBondContact NZ-OD1 2.92Å; I139-D180 PolarHBondContact N-OD2 3.4Å; I139-D180 PolarHBondContact O-N 3.46Å; D180-K214 WeakPolarHBondContact O-CA 3.41Å; D180-L215 PolarHBondContact O-N 2.93Å
181G98.9Very high95.9Very high0 Ų036.4 Ų36.40%018%0.183CC..EExtended strand (participates in β ladder)trans174.2-169.7-174.700000112.8V140 P141 L174 F179 L215V140-G181 WeakPolarHBondContact CA-O 3.33Å; P141-G181 WeakPolarHBondContact CD-O 3.47Å; L174-G181 WeakPolarHBondContact CD2-O 3.39Å; F179-G181 VanDerWaalsContact C-N 3.33Å; G181-L215 CarbonylContact C-O 3.29Å; G181-L215 WeakPolarHBondContact CA-O 3.3Å
182A98.9Very high95.3Very high0 Ų039.2 Ų39.20%021%0.212CC..EExtended strand (participates in β ladder)trans-133.1137.5176.400000111.1F143 L174 I184 L209 L215 V217F143-A182 HydrophobicContact CD2-CB 3.83Å; F143-A182 HydrophobicContact CE2-CB 3.9Å; L174-A182 HydrophobicContact CD1-CB 4.08Å; L174-A182 HydrophobicContact CD2-CB 4.39Å; A182-I184 HydrophobicContact CB-CD1 3.72Å; A182-I184 HydrophobicContact CB-CG1 4.29Å; A182-L209 HydrophobicContact CB-CD2 4.17Å; A182-L215 PolarHBondContact N-O 2.69Å; A182-V217 PolarHBondContact O-N 3.37Å
183V98.9Very high94.8Very high0 Ų036.9 Ų36.90%020%0.201CC..EExtended strand (participates in β ladder)trans-89128.8156.9176.70000107.7L76 Y78 A101 V140 P141 R142 F143 V217 V219L76-V183 HydrophobicContact CD1-CG2 4.49Å; L76-V183 HydrophobicContact CD2-CG2 4.45Å; Y78-V183 HydrophobicContact CE1-CG1 4.02Å; Y78-V183 HydrophobicContact CE1-CG2 4.48Å; Y78-V183 WeakPolarHBondContact OH-CG1 3.24Å; A101-V183 HydrophobicContact CB-CG2 3.74Å; V140-V183 HydrophobicContact CB-CG2 4.31Å; V140-V183 HydrophobicContact CG2-CG2 3.98Å; V140-V183 WeakPolarHBondContact O-CG2 3.43Å; P141-V183 PolarHBondContact O-N 2.9Å; R142-V183 CarbonylContact C-O 3.48Å; R142-V183 VanDerWaalsContact CA-O 3.31Å; R142-V183 WeakPolarHBondContact CA-O 3.08Å; R142-V183 HydrophobicContact CB-CB 4.24Å; R142-V183 HydrophobicContact CB-CG1 4.41Å; R142-V183 HydrophobicContact CG-CB 4.3Å; R142-V183 HydrophobicContact CG-CG1 3.98Å; F143-V183 PolarHBondContact N-O 3.29Å; V183-V217 CarbonylContact C-O 3.53Å; V183-V217 VanDerWaalsContact CA-O 3.3Å; V183-V217 WeakPolarHBondContact CA-O 3.38Å; V183-V217 HydrophobicContact CB-CB 4.31Å; V183-V217 HydrophobicContact CG1-CG1 4.39Å; V183-V217 HydrophobicContact CG2-CB 3.76Å; V183-V217 HydrophobicContact CG2-CG1 4.01Å; V183-V217 HydrophobicContact CG2-CG2 4.19Å; V183-V219 HydrophobicContact CG1-CG2 3.41Å; V183-V219 VanDerWaalsContact CG1-CG2 3.41Å
184I98.8Very high94.5Very high0 Ų042.5 Ų42.50%023%0.227CC..EExtended strand (participates in β ladder)trans-115.8121.4-177.4-54.4-63.8000109.4F143 F145 A182 M186 L205 F216 V217 V219F143-I184 HydrophobicContact CB-CD1 4.05Å; F143-I184 HydrophobicContact CD2-CD1 4.37Å; F143-I184 HydrophobicContact CG-CD1 4.49Å; F145-I184 HydrophobicContact CD2-CG2 4.5Å; F145-I184 HydrophobicContact CE2-CG2 4.05Å; A182-I184 HydrophobicContact CB-CD1 3.72Å; A182-I184 HydrophobicContact CB-CG1 4.29Å; I184-M186 HydrophobicContact CG2-CE 3.23Å; I184-M186 HydrophobicContact CG2-CG 4.15Å; I184-M186 HydrophobicContact CG2-SD 4.34Å; I184-L205 HydrophobicContact CB-CD2 4.48Å; I184-L205 HydrophobicContact CD1-CD2 4Å; I184-L205 HydrophobicContact CG1-CD2 3.81Å; I184-L205 HydrophobicContact CG2-CD2 4.02Å; I184-F216 HydrophobicContact CB-CE2 3.76Å; I184-F216 HydrophobicContact CG1-CD2 3.85Å; I184-F216 HydrophobicContact CG1-CE2 3.45Å; I184-F216 VanDerWaalsContact CG1-CE2 3.45Å; I184-F216 HydrophobicContact CG1-CZ 4.48Å; I184-V217 PolarHBondContact N-O 2.77Å; I184-V219 PolarHBondContact O-N 3.15Å
185E98Very high94.2Very high31 Ų3145.9 Ų45.915%0.14525%0.245CC..EExtended strand (participates in β ladder)trans-114.7101.5175.9-170.9-179.5145.200110R142 F143 F145 Q189 V219R142-E185 WeakPolarHBondContact CD-OE2 3.35Å; R142-E185 HydrophobicContact CG-CB 4.46Å; R142-E185 IonicContact CZ-OE2 2.73Å; R142-E185 IonicContact NE-OE2 2.85Å; R142-E185 IonicContact NH1-OE1 3.73Å; R142-E185 IonicContact NH1-OE2 3.1Å; R142-E185 PolarHBondContact NH1-OE2 3.2Å; F143-E185 PolarHBondContact O-N 3.09Å; F145-E185 PolarHBondContact N-O 2.8Å; E185-Q189 PolarHBondContact OE1-NE2 3.41Å; E185-V219 HydrophobicContact CB-CB 4.03Å; E185-V219 HydrophobicContact CB-CG2 3.94Å; E185-V219 HydrophobicContact CG-CB 4Å; E185-V219 HydrophobicContact CG-CG1 4.02Å; E185-V219 HydrophobicContact CG-CG2 4.32Å
186M95.6Very high93.9Very high1 Ų145.5 Ų45.51%0.00524%0.244CC..  trans-141-27.7177.365.2173.865.200113.6F145 I184 A188 Q189 F190 L198 F201 L205F145-M186 HydrophobicContact CB-CB 4Å; F145-M186 HydrophobicContact CD1-CE 4.4Å; F145-M186 HydrophobicContact CD2-CB 3.96Å; F145-M186 HydrophobicContact CD2-CE 3.88Å; F145-M186 HydrophobicContact CE1-CE 4.07Å; F145-M186 HydrophobicContact CE2-CE 3.5Å; F145-M186 HydrophobicContact CG-CB 3.97Å; F145-M186 HydrophobicContact CG-CE 4.34Å; F145-M186 HydrophobicContact CZ-CE 3.61Å; I184-M186 HydrophobicContact CG2-CE 3.23Å; I184-M186 HydrophobicContact CG2-CG 4.15Å; I184-M186 HydrophobicContact CG2-SD 4.34Å; M186-A188 VanDerWaalsContact C-N 3.35Å; M186-A188 PolarHBondContact O-N 2.77Å; M186-Q189 PolarHBondContact O-N 2.87Å; M186-F190 PolarHBondContact O-N 3.27Å; M186-L198 HydrophobicContact CG-CD1 4.12Å; M186-L198 HydrophobicContact SD-CD1 3.58Å; M186-L198 VanDerWaalsContact SD-CD1 3.58Å; M186-F201 HydrophobicContact CE-CD1 3.86Å; M186-F201 HydrophobicContact CE-CE1 3.35Å; M186-F201 HydrophobicContact CE-CZ 4.37Å; M186-F201 HydrophobicContact SD-CD1 3.9Å; M186-F201 HydrophobicContact SD-CE1 4.03Å; M186-L205 HydrophobicContact CE-CD2 4.22Å
187W94.8Very high93.7Very high6 Ų638.8 Ų38.82%0.02322%0.217CC..THydrogen-bonded Turntrans-60.7-42.7-166.9-161.4-76.1000113.1Q189 L195 L198 I199 L218 R232 F233 D237 L241W187-Q189 PolarHBondContact O-N 3.19Å; W187-L195 HydrophobicContact CH2-CD1 4.07Å; W187-L195 HydrophobicContact CZ2-CD1 3.65Å; W187-L198 HydrophobicContact CD2-CD2 3.64Å; W187-L198 HydrophobicContact CE3-CD2 3.61Å; W187-L198 HydrophobicContact CE3-CG 4.1Å; W187-L198 HydrophobicContact CG-CD2 4.2Å; W187-L198 HydrophobicContact CH2-CD2 4.25Å; W187-L198 HydrophobicContact CZ2-CD2 4.28Å; W187-L198 HydrophobicContact CZ3-CD2 3.9Å; W187-L198 HydrophobicContact CZ3-CG 4.11Å; W187-I199 HydrophobicContact CH2-CG1 4.21Å; W187-L218 HydrophobicContact CE3-CD2 4.15Å; W187-L218 HydrophobicContact CZ3-CD2 4.39Å; W187-R232 PolarHBondContact NE1-O 3.02Å; W187-F233 AromaticContact CD1-CD2 3.94Å; W187-F233 AromaticContact CD2-CD2 3.53Å; W187-F233 HydrophobicContact CD2-CD2 3.53Å; W187-F233 AromaticContact CD2-CE2 4Å; W187-F233 HydrophobicContact CD2-CE2 4Å; W187-F233 AromaticContact CE2-CD2 3.24Å; W187-F233 AromaticContact CE2-CE2 3.9Å; W187-F233 HydrophobicContact CE3-CD2 4.05Å; W187-F233 HydrophobicContact CE3-CE2 4.02Å; W187-F233 AromaticContact CG-CD2 3.97Å; W187-F233 HydrophobicContact CG-CD2 3.97Å; W187-F233 AromaticContact CH2-CD2 3.98Å; W187-F233 HydrophobicContact CH2-CD2 3.98Å; W187-F233 AromaticContact CH2-CE2 3.8Å; W187-F233 HydrophobicContact CH2-CE2 3.8Å; W187-F233 AromaticContact CZ2-CD2 3.46Å; W187-F233 HydrophobicContact CZ2-CD2 3.46Å; W187-F233 VanDerWaalsContact CZ2-CD2 3.46Å; W187-F233 AromaticContact CZ2-CE2 3.77Å; W187-F233 HydrophobicContact CZ2-CE2 3.77Å; W187-F233 HydrophobicContact CZ2-CG 4.41Å; W187-F233 HydrophobicContact CZ3-CD2 4.27Å; W187-F233 AromaticContact CZ3-CE2 3.95Å; W187-F233 HydrophobicContact CZ3-CE2 3.95Å; W187-F233 AromaticContact NE1-CD2 3.52Å; W187-D237 HydrophobicContact CH2-CB 4.09Å; W187-D237 HydrophobicContact CZ2-CB 3.91Å; W187-L241 HydrophobicContact CE3-CD1 4.42Å; W187-L241 HydrophobicContact CH2-CD1 3.61Å; W187-L241 HydrophobicContact CZ3-CD1 3.36Å
188A89.8Confident93.6Very high44 Ų4435.8 Ų35.836%0.36421%0.205SC..THydrogen-bonded Turntrans-69.4-22.3179.700000113.2M186 M251M186-A188 VanDerWaalsContact C-N 3.35Å; M186-A188 PolarHBondContact O-N 2.77Å; A188-M251 HydrophobicContact CB-CE 4.11Å
189Q85.5Confident93.5Very high52 Ų5230.9 Ų30.924%0.24318%0.179CC..THydrogen-bonded Turntrans-99.1-17-172.9-59.6165.110.200112.4F145 E185 M186 W187 S191F145-Q189 PolarHBondContact O-OE1 3.27Å; E185-Q189 PolarHBondContact OE1-NE2 3.41Å; M186-Q189 PolarHBondContact O-N 2.87Å; W187-Q189 PolarHBondContact O-N 3.19Å; Q189-S191 PolarHBondContact O-N 3.32Å
190F86.7Confident93.4Very high21 Ų2135 Ų359%0.09220%0.201CC..  trans-60.1130.8178.5168.7-92.9000112.3F153 F157 M186 V193 E194 L198F153-F190 HydrophobicContact CD1-CD2 4.11Å; F153-F190 HydrophobicContact CG-CD2 4.34Å; F157-F190 HydrophobicContact CD2-CD2 4.35Å; F157-F190 AromaticContact CD2-CE2 3.92Å; F157-F190 HydrophobicContact CD2-CE2 3.92Å; F157-F190 AromaticContact CE2-CD2 3.71Å; F157-F190 HydrophobicContact CE2-CD2 3.71Å; F157-F190 AromaticContact CE2-CE2 3.72Å; F157-F190 HydrophobicContact CE2-CE2 3.72Å; M186-F190 PolarHBondContact O-N 3.27Å; F190-V193 HydrophobicContact CD2-CG2 3.76Å; F190-V193 HydrophobicContact CE1-CG2 4.31Å; F190-V193 WeakPolarHBondContact CE1-O 3.42Å; F190-V193 HydrophobicContact CE2-CB 3.86Å; F190-V193 HydrophobicContact CE2-CG2 3.01Å; F190-V193 HydrophobicContact CZ-CB 3.79Å; F190-V193 HydrophobicContact CZ-CG2 3.34Å; F190-V193 WeakPolarHBondContact CZ-O 3.25Å; F190-E194 WeakPolarHBondContact CZ-O 3.48Å; F190-L198 HydrophobicContact CB-CD1 4.42Å; F190-L198 HydrophobicContact CB-CD2 3.97Å; F190-L198 HydrophobicContact CD1-CD2 3.96Å; F190-L198 HydrophobicContact CD2-CB 3.93Å; F190-L198 HydrophobicContact CD2-CD1 4Å; F190-L198 HydrophobicContact CD2-CD2 4.13Å; F190-L198 HydrophobicContact CD2-CG 4.24Å; F190-L198 HydrophobicContact CE1-CB 4.4Å; F190-L198 HydrophobicContact CE1-CD2 4.47Å; F190-L198 HydrophobicContact CE2-CB 3.64Å; F190-L198 HydrophobicContact CE2-CG 4.45Å; F190-L198 HydrophobicContact CG-CB 4.35Å; F190-L198 HydrophobicContact CG-CD1 4.33Å; F190-L198 HydrophobicContact CG-CD2 3.77Å; F190-L198 HydrophobicContact CG-CG 4.38Å; F190-L198 HydrophobicContact CZ-CB 3.92Å
191S85.1Confident93.2Very high43 Ų4333.9 Ų33.930%0.30120%0.195SC..  trans-159.7160175.548.80000112.5N150 Q189 V193N150-S191 WeakPolarHBondContact OD1-CB 3.32Å; N150-S191 PolarHBondContact OD1-O 2.89Å; N150-S191 PolarHBondContact OD1-OG 2.87Å; Q189-S191 PolarHBondContact O-N 3.32Å; S191-V193 WeakPolarHBondContact O-CG2 3.43Å
192G85.7Confident93.2Very high60 Ų6034 Ų3462%0.61920%0.195SC*.SBendtrans81.29.4174.400000115.7
193V87.5Confident93.1Very high29 Ų2935.3 Ų35.318%0.17620%0.203CC..SBendtrans-146.2164.3-177.3-94.70000110.9F153 A154 F190 S191F153-V193 HydrophobicContact CB-CG2 3.55Å; F153-V193 HydrophobicContact CG-CG2 4.45Å; A154-V193 VanDerWaalsContact CA-CG1 3.49Å; A154-V193 HydrophobicContact CB-CG1 3.87Å; F190-V193 HydrophobicContact CD2-CG2 3.76Å; F190-V193 HydrophobicContact CE1-CG2 4.31Å; F190-V193 WeakPolarHBondContact CE1-O 3.42Å; F190-V193 HydrophobicContact CE2-CB 3.86Å; F190-V193 HydrophobicContact CE2-CG2 3.01Å; F190-V193 HydrophobicContact CZ-CB 3.79Å; F190-V193 HydrophobicContact CZ-CG2 3.34Å; F190-V193 WeakPolarHBondContact CZ-O 3.25Å; S191-V193 WeakPolarHBondContact O-CG2 3.43Å
194E91.7Very high93.1Very high137 Ų13738.6 Ų38.664%0.6422%0.216SC*.  trans-71.7139.3179.1-67174.9-168.600111.5F190 Q196 S197F190-E194 WeakPolarHBondContact CZ-O 3.48Å; E194-Q196 PolarHBondContact O-N 3.25Å; E194-Q196 VanDerWaalsContact O-N 3.16Å; E194-S197 WeakPolarHBondContact O-CB 2.9Å; E194-S197 PolarHBondContact O-N 2.78Å
195L92.6Very high93.1Very high71 Ų7138.7 Ų38.737%0.37222%0.216SC..Hα-helixtrans-53.7-35.8178.2177.459.6000112.4W187 S197 L198 I199 D237W187-L195 HydrophobicContact CH2-CD1 4.07Å; W187-L195 HydrophobicContact CZ2-CD1 3.65Å; L195-S197 VanDerWaalsContact C-N 3.26Å; L195-S197 PolarHBondContact O-N 3.35Å; L195-L198 HydrophobicContact CD1-CD2 4.27Å; L195-L198 WeakPolarHBondContact O-CB 3.45Å; L195-L198 PolarHBondContact O-N 2.81Å; L195-I199 HydrophobicContact CG-CD1 4.04Å; L195-I199 WeakPolarHBondContact O-CG1 3.46Å; L195-I199 PolarHBondContact O-N 3.01Å; L195-D237 WeakPolarHBondContact CD2-OD1 3.28Å
196Q93.7Very high93.1Very high98 Ų9837.2 Ų37.246%0.45821%0.209SC..Hα-helixtrans-58.3-38.3176.7-170.859.95100112.1E194 L198 I199 D200E194-Q196 PolarHBondContact O-N 3.25Å; E194-Q196 VanDerWaalsContact O-N 3.16Å; Q196-L198 VanDerWaalsContact C-N 3.31Å; Q196-L198 PolarHBondContact O-N 2.7Å; Q196-I199 PolarHBondContact O-N 3.18Å; Q196-D200 PolarHBondContact NE2-OD1 3.05Å; Q196-D200 PolarHBondContact O-N 3.4Å
197S93.8Very high93.2Very high14 Ų1440.9 Ų40.910%0.09823%0.229CC..Hα-helixtrans-66.1-32.9177.3-54.40000112.6E194 L195 F201E194-S197 WeakPolarHBondContact O-CB 2.9Å; E194-S197 PolarHBondContact O-N 2.78Å; L195-S197 VanDerWaalsContact C-N 3.26Å; L195-S197 PolarHBondContact O-N 3.35Å; S197-F201 WeakPolarHBondContact O-CB 3.49Å; S197-F201 PolarHBondContact O-N 3.29Å; S197-F201 VanDerWaalsContact O-N 3.11Å
198L94.4Very high93.4Very high0 Ų042.7 Ų42.70%024%0.239CC..Hα-helixtrans-68.4-41.7172.3178.163.4000111.3F157 M186 W187 F190 L195 Q196 F201 T202F157-L198 HydrophobicContact CE2-CB 4.2Å; F157-L198 HydrophobicContact CE2-CD1 3.75Å; F157-L198 HydrophobicContact CZ-CD1 4.11Å; M186-L198 HydrophobicContact CG-CD1 4.12Å; M186-L198 HydrophobicContact SD-CD1 3.58Å; M186-L198 VanDerWaalsContact SD-CD1 3.58Å; W187-L198 HydrophobicContact CD2-CD2 3.64Å; W187-L198 HydrophobicContact CE3-CD2 3.61Å; W187-L198 HydrophobicContact CE3-CG 4.1Å; W187-L198 HydrophobicContact CG-CD2 4.2Å; W187-L198 HydrophobicContact CH2-CD2 4.25Å; W187-L198 HydrophobicContact CZ2-CD2 4.28Å; W187-L198 HydrophobicContact CZ3-CD2 3.9Å; W187-L198 HydrophobicContact CZ3-CG 4.11Å; F190-L198 HydrophobicContact CB-CD1 4.42Å; F190-L198 HydrophobicContact CB-CD2 3.97Å; F190-L198 HydrophobicContact CD1-CD2 3.96Å; F190-L198 HydrophobicContact CD2-CB 3.93Å; F190-L198 HydrophobicContact CD2-CD1 4Å; F190-L198 HydrophobicContact CD2-CD2 4.13Å; F190-L198 HydrophobicContact CD2-CG 4.24Å; F190-L198 HydrophobicContact CE1-CB 4.4Å; F190-L198 HydrophobicContact CE1-CD2 4.47Å; F190-L198 HydrophobicContact CE2-CB 3.64Å; F190-L198 HydrophobicContact CE2-CG 4.45Å; F190-L198 HydrophobicContact CG-CB 4.35Å; F190-L198 HydrophobicContact CG-CD1 4.33Å; F190-L198 HydrophobicContact CG-CD2 3.77Å; F190-L198 HydrophobicContact CG-CG 4.38Å; F190-L198 HydrophobicContact CZ-CB 3.92Å; L195-L198 HydrophobicContact CD1-CD2 4.27Å; L195-L198 WeakPolarHBondContact O-CB 3.45Å; L195-L198 PolarHBondContact O-N 2.81Å; Q196-L198 VanDerWaalsContact C-N 3.31Å; Q196-L198 PolarHBondContact O-N 2.7Å; L198-F201 PolarHBondContact O-N 2.95Å; L198-T202 WeakPolarHBondContact O-CB 3.32Å; L198-T202 PolarHBondContact O-N 2.83Å; L198-T202 PolarHBondContact O-OG1 2.69Å
199I95.8Very high93.9Very high12 Ų1240.6 Ų40.66%0.06222%0.221CC..Hα-helixtrans-62-48.9176.9-68.2168.5000110W187 L195 Q196 F201 T202 V203 L240 L241W187-I199 HydrophobicContact CH2-CG1 4.21Å; L195-I199 HydrophobicContact CG-CD1 4.04Å; L195-I199 WeakPolarHBondContact O-CG1 3.46Å; L195-I199 PolarHBondContact O-N 3.01Å; Q196-I199 PolarHBondContact O-N 3.18Å; I199-F201 VanDerWaalsContact C-N 3.34Å; I199-F201 PolarHBondContact O-N 2.85Å; I199-T202 WeakPolarHBondContact O-CB 3.5Å; I199-T202 PolarHBondContact O-N 3.08Å; I199-V203 HydrophobicContact CG2-CG2 4.41Å; I199-V203 WeakPolarHBondContact O-CG2 3.42Å; I199-V203 PolarHBondContact O-N 3.17Å; I199-L240 HydrophobicContact CD1-CD1 4.11Å; I199-L241 HydrophobicContact CG2-CD2 4.28Å
200D95.5Very high94.5Very high88 Ų8841.5 Ų41.547%0.47123%0.226SC..Hα-helixtrans-60.9-42.8179.9-64.2-15.7000111.6Q196 T202 R204Q196-D200 PolarHBondContact NE2-OD1 3.05Å; Q196-D200 PolarHBondContact O-N 3.4Å; D200-T202 VanDerWaalsContact C-N 3.35Å; D200-R204 WeakPolarHBondContact O-CB 3.38Å; D200-R204 PolarHBondContact O-N 3.25Å
201F96.4Very high95Very high5 Ų545.4 Ų45.42%0.02226%0.255CS..Hα-helixtrans-60.5-44.6172.9-179-84.5000111.6F145 F157 T163 I167 M186 S197 L198 I199 R204 L205F145-F201 HydrophobicContact CE1-CZ 4.31Å; F145-F201 HydrophobicContact CZ-CE1 4.44Å; F145-F201 HydrophobicContact CZ-CZ 4.34Å; F157-F201 HydrophobicContact CD1-CB 4.03Å; F157-F201 AromaticContact CD1-CD2 3.48Å; F157-F201 HydrophobicContact CD1-CD2 3.48Å; F157-F201 VanDerWaalsContact CD1-CD2 3.48Å; F157-F201 HydrophobicContact CD1-CE2 4.14Å; F157-F201 AromaticContact CD1-CG 3.83Å; F157-F201 HydrophobicContact CD1-CG 3.83Å; F157-F201 HydrophobicContact CD2-CB 4.37Å; F157-F201 HydrophobicContact CE1-CB 4Å; F157-F201 AromaticContact CE1-CD1 3.99Å; F157-F201 HydrophobicContact CE1-CD1 3.99Å; F157-F201 AromaticContact CE1-CD2 3.36Å; F157-F201 HydrophobicContact CE1-CD2 3.36Å; F157-F201 HydrophobicContact CE1-CE1 4.37Å; F157-F201 AromaticContact CE1-CE2 3.78Å; F157-F201 HydrophobicContact CE1-CE2 3.78Å; F157-F201 AromaticContact CE1-CG 3.48Å; F157-F201 HydrophobicContact CE1-CG 3.48Å; F157-F201 VanDerWaalsContact CE1-CG 3.48Å; F157-F201 HydrophobicContact CE1-CZ 4.27Å; F157-F201 HydrophobicContact CE2-CB 4.33Å; F157-F201 HydrophobicContact CG-CB 4.22Å; F157-F201 HydrophobicContact CG-CD2 4.43Å; F157-F201 HydrophobicContact CZ-CB 4.14Å; F157-F201 HydrophobicContact CZ-CD1 4.1Å; F157-F201 HydrophobicContact CZ-CD2 4.22Å; F157-F201 AromaticContact CZ-CG 3.87Å; F157-F201 HydrophobicContact CZ-CG 3.87Å; T163-F201 HydrophobicContact CG2-CD2 3.61Å; T163-F201 HydrophobicContact CG2-CE2 3.83Å; I167-F201 HydrophobicContact CG1-CE2 4.34Å; I167-F201 HydrophobicContact CG1-CZ 4.18Å; M186-F201 HydrophobicContact CE-CD1 3.86Å; M186-F201 HydrophobicContact CE-CE1 3.35Å; M186-F201 HydrophobicContact CE-CZ 4.37Å; M186-F201 HydrophobicContact SD-CD1 3.9Å; M186-F201 HydrophobicContact SD-CE1 4.03Å; S197-F201 WeakPolarHBondContact O-CB 3.49Å; S197-F201 PolarHBondContact O-N 3.29Å; S197-F201 VanDerWaalsContact O-N 3.11Å; L198-F201 PolarHBondContact O-N 2.95Å; I199-F201 VanDerWaalsContact C-N 3.34Å; I199-F201 PolarHBondContact O-N 2.85Å; F201-R204 PolarHBondContact O-N 3.48Å; F201-L205 HydrophobicContact CE1-CB 4.35Å; F201-L205 HydrophobicContact CE1-CD2 4.08Å; F201-L205 WeakPolarHBondContact O-CB 3.29Å; F201-L205 PolarHBondContact O-N 2.95Å
202T97.3Very high95.7Very high1 Ų145.4 Ų45.41%0.00625%0.252CS..Hα-helixtrans-63.3-44.5-178.9-59.80000111.5L198 I199 D200 L205 S206 F216 L218 L241L198-T202 WeakPolarHBondContact O-CB 3.32Å; L198-T202 PolarHBondContact O-N 2.83Å; L198-T202 PolarHBondContact O-OG1 2.69Å; I199-T202 WeakPolarHBondContact O-CB 3.5Å; I199-T202 PolarHBondContact O-N 3.08Å; D200-T202 VanDerWaalsContact C-N 3.35Å; T202-L205 PolarHBondContact O-N 2.9Å; T202-S206 WeakPolarHBondContact O-CB 3.44Å; T202-S206 PolarHBondContact O-N 2.99Å; T202-F216 HydrophobicContact CG2-CE1 3.83Å; T202-F216 HydrophobicContact CG2-CZ 3.83Å; T202-L218 HydrophobicContact CG2-CD2 4.18Å; T202-L241 HydrophobicContact CG2-CD1 4.29Å; T202-L241 HydrophobicContact CG2-CD2 3.76Å
203V98Very high96.3Very high28 Ų2845.6 Ų45.617%0.1725%0.254CS..Hα-helixtrans-61.8-46.2175.3169.40000110.4I199 L205 S206 D207 L241 Y244I199-V203 HydrophobicContact CG2-CG2 4.41Å; I199-V203 WeakPolarHBondContact O-CG2 3.42Å; I199-V203 PolarHBondContact O-N 3.17Å; V203-L205 VanDerWaalsContact C-N 3.34Å; V203-L205 PolarHBondContact O-N 2.88Å; V203-S206 VanDerWaalsContact O-CB 3.27Å; V203-S206 WeakPolarHBondContact O-CB 3.34Å; V203-S206 PolarHBondContact O-N 2.64Å; V203-D207 PolarHBondContact O-N 3.28Å; V203-L241 HydrophobicContact CG2-CD2 4.25Å; V203-Y244 HydrophobicContact CB-CD1 4.42Å; V203-Y244 HydrophobicContact CB-CE1 4.46Å; V203-Y244 HydrophobicContact CG1-CD1 3.86Å; V203-Y244 HydrophobicContact CG1-CE1 3.57Å; V203-Y244 HydrophobicContact CG2-CD1 4.23Å; V203-Y244 HydrophobicContact CG2-CD2 3.98Å; V203-Y244 HydrophobicContact CG2-CE1 4.25Å; V203-Y244 HydrophobicContact CG2-CE2 3.99Å; V203-Y244 HydrophobicContact CG2-CG 4.09Å
204R98Very high96.8Very high70 Ų7045.4 Ų45.426%0.26425%0.251SS..Hα-helixtrans-65.4-37.2179.5-166165.6-163.1-148.80.9113.2V160 D164 I167 D200 F201 N208V160-R204 VanDerWaalsContact CG1-NH2 3.29Å; V160-R204 PolarHBondContact O-NH1 2.87Å; D164-R204 IonicContact OD1-CZ 2.79Å; D164-R204 IonicContact OD1-NE 3.89Å; D164-R204 PolarHBondContact OD1-NE 3.38Å; D164-R204 IonicContact OD1-NH1 3.51Å; D164-R204 PolarHBondContact OD1-NH1 3.23Å; D164-R204 VanDerWaalsContact OD1-NH1 3.11Å; D164-R204 IonicContact OD1-NH2 2.81Å; D164-R204 PolarHBondContact OD1-NH2 2.88Å; D164-R204 IonicContact OD2-CZ 3.82Å; D164-R204 VanDerWaalsContact OD2-CZ 3.28Å; D164-R204 IonicContact OD2-NH1 2.73Å; D164-R204 PolarHBondContact OD2-NH1 3.41Å; D164-R204 IonicContact OD2-NH2 2.65Å; D164-R204 PolarHBondContact OD2-NH2 2.78Å; I167-R204 HydrophobicContact CD1-CB 4.22Å; I167-R204 HydrophobicContact CD1-CG 3.98Å; D200-R204 WeakPolarHBondContact O-CB 3.38Å; D200-R204 PolarHBondContact O-N 3.25Å; F201-R204 PolarHBondContact O-N 3.48Å; R204-N208 PolarHBondContact O-N 3.1Å; R204-N208 PolarHBondContact O-ND2 3.13Å
205L98.5Very high97.2Very high2 Ų240.8 Ų40.81%0.0123%0.231CC..Hα-helixtrans-63.7-44.6172.9173.659.2000110.9I167 I184 M186 F201 T202 V203 N208 L209 F216I167-L205 HydrophobicContact CB-CD1 4.48Å; I167-L205 HydrophobicContact CD1-CB 4.18Å; I167-L205 HydrophobicContact CG1-CB 4.26Å; I167-L205 HydrophobicContact CG1-CD1 4.05Å; I167-L205 HydrophobicContact CG2-CD1 4.01Å; I184-L205 HydrophobicContact CB-CD2 4.48Å; I184-L205 HydrophobicContact CD1-CD2 4Å; I184-L205 HydrophobicContact CG1-CD2 3.81Å; I184-L205 HydrophobicContact CG2-CD2 4.02Å; M186-L205 HydrophobicContact CE-CD2 4.22Å; F201-L205 HydrophobicContact CE1-CB 4.35Å; F201-L205 HydrophobicContact CE1-CD2 4.08Å; F201-L205 WeakPolarHBondContact O-CB 3.29Å; F201-L205 PolarHBondContact O-N 2.95Å; T202-L205 PolarHBondContact O-N 2.9Å; V203-L205 VanDerWaalsContact C-N 3.34Å; V203-L205 PolarHBondContact O-N 2.88Å; L205-N208 PolarHBondContact O-N 3.12Å; L205-L209 HydrophobicContact CD1-CD1 3.93Å; L205-L209 HydrophobicContact CD1-CG 4.09Å; L205-L209 HydrophobicContact CG-CD1 3.91Å; L205-L209 HydrophobicContact CG-CG 4.49Å; L205-L209 WeakPolarHBondContact O-CG 3.4Å; L205-L209 PolarHBondContact O-N 2.58Å; L205-F216 HydrophobicContact CD2-CZ 4.49Å
206S98.7Very high97.5Very high0 Ų037.4 Ų37.40%021%0.213CC..Hα-helixtrans-55.3-54.9174.6173.10000111.9T202 V203 N208 L209 H210 Y244T202-S206 WeakPolarHBondContact O-CB 3.44Å; T202-S206 PolarHBondContact O-N 2.99Å; V203-S206 VanDerWaalsContact O-CB 3.27Å; V203-S206 WeakPolarHBondContact O-CB 3.34Å; V203-S206 PolarHBondContact O-N 2.64Å; S206-N208 PolarHBondContact O-N 2.97Å; S206-L209 PolarHBondContact O-N 2.99Å; S206-H210 PolarHBondContact O-N 2.66Å; S206-H210 PolarHBondContact OG-CE1 3Å; S206-H210 PolarHBondContact OG-ND1 3.37Å; S206-Y244 WeakPolarHBondContact OG-CA 3.22Å; S206-Y244 WeakPolarHBondContact OG-CB 3.46Å; S206-Y244 PolarHBondContact OG-O 2.93Å
207D98.6Very high97.7Very high78 Ų7832.8 Ų32.842%0.41719%0.191SC..Hα-helixtrans-56.3-40.2-178-70.3-17.7000111.6V203 S211V203-D207 PolarHBondContact O-N 3.28Å; D207-S211 WeakPolarHBondContact O-CB 3.44Å; D207-S211 PolarHBondContact O-N 3.01Å; D207-S211 PolarHBondContact O-OG 3.37Å
208N98.7Very high98Very high43 Ų4332.1 Ų32.123%0.2319%0.187CC..Hα-helixtrans-70.4-39.3176.4-83.6-86.8000112.7I167 R204 L205 S206 N212I167-N208 HydrophobicContact CG2-CB 3.47Å; I167-N208 VanDerWaalsContact CG2-CB 3.47Å; R204-N208 PolarHBondContact O-N 3.1Å; R204-N208 PolarHBondContact O-ND2 3.13Å; L205-N208 PolarHBondContact O-N 3.12Å; S206-N208 PolarHBondContact O-N 2.97Å; N208-N212 WeakPolarHBondContact O-CB 3.34Å; N208-N212 PolarHBondContact O-N 2.9Å; N208-N212 PolarHBondContact O-ND2 3.18Å
209L98.9Very high98.2Very high0 Ų032.2 Ų32.20%019%0.187CC..Hα-helixtrans-62.8-52.9174.6-75.7167.2000110.4I171 L174 A182 L205 S206 S211 N212 G213 K214 F216I171-L209 HydrophobicContact CD1-CD2 3.6Å; I171-L209 HydrophobicContact CD1-CG 4.1Å; L174-L209 HydrophobicContact CD1-CD2 3.43Å; L174-L209 VanDerWaalsContact CD1-CD2 3.43Å; A182-L209 HydrophobicContact CB-CD2 4.17Å; L205-L209 HydrophobicContact CD1-CD1 3.93Å; L205-L209 HydrophobicContact CD1-CG 4.09Å; L205-L209 HydrophobicContact CG-CD1 3.91Å; L205-L209 HydrophobicContact CG-CG 4.49Å; L205-L209 WeakPolarHBondContact O-CG 3.4Å; L205-L209 PolarHBondContact O-N 2.58Å; S206-L209 PolarHBondContact O-N 2.99Å; L209-S211 PolarHBondContact O-N 3.42Å; L209-N212 CarbonylContact O-C 3.5Å; L209-N212 WeakPolarHBondContact O-CA 3.32Å; L209-N212 PolarHBondContact O-N 3.03Å; L209-G213 PolarHBondContact O-N 3.27Å; L209-K214 CarbonylContact C-O 3.41Å; L209-K214 HydrophobicContact CB-CB 4.13Å; L209-K214 HydrophobicContact CD2-CB 3.76Å; L209-K214 HydrophobicContact CD2-CG 4.46Å; L209-K214 VanDerWaalsContact O-CB 3.31Å; L209-K214 WeakPolarHBondContact O-CB 3.49Å; L209-K214 PolarHBondContact O-N 2.93Å; L209-F216 HydrophobicContact CD1-CB 3.69Å; L209-F216 HydrophobicContact CD1-CD1 4.41Å; L209-F216 HydrophobicContact CD1-CD2 3.75Å; L209-F216 HydrophobicContact CD1-CG 3.69Å
210H98.8Very high98.3Very high72 Ų7231.7 Ų31.733%0.33318%0.184SC..Hα-helixtrans-63.9-41.8-178-67.4165.9000112.8S206 N212 G213 K214 Y244 D246S206-H210 PolarHBondContact O-N 2.66Å; S206-H210 PolarHBondContact OG-CE1 3Å; S206-H210 PolarHBondContact OG-ND1 3.37Å; H210-N212 PolarHBondContact O-N 2.93Å; H210-N212 VanDerWaalsContact O-N 3.11Å; H210-G213 PolarHBondContact O-N 3.43Å; H210-K214 PolarHBondContact CD2-O 3.33Å; H210-Y244 PolarHBondContact CE1-O 3.39Å; H210-D246 IonicContact CD2-OD2 3.99Å; H210-D246 IonicContact CE1-OD2 2.86Å; H210-D246 IonicContact NE2-OD1 3.19Å; H210-D246 IonicContact NE2-OD2 3.37Å; H210-D246 PolarHBondContact NE2-OD2 3.01Å
211S98.5Very high98.4Very high102 Ų10227.6 Ų27.671%0.71316%0.163SC*.Hα-helixtrans-61.7-20.9174.9-62.30000113D207 L209D207-S211 WeakPolarHBondContact O-CB 3.44Å; D207-S211 PolarHBondContact O-N 3.01Å; D207-S211 PolarHBondContact O-OG 3.37Å; L209-S211 PolarHBondContact O-N 3.42Å
212N98.6Very high98.5Very high43 Ų4327.6 Ų27.623%0.2316%0.163CC..THydrogen-bonded Turntrans-101.212.6175-72.8-79.7000113.2I171 K175 N208 L209 H210 K214I171-N212 HydrophobicContact CG2-CB 4.32Å; K175-N212 WeakPolarHBondContact CE-OD1 3.46Å; K175-N212 PolarHBondContact NZ-OD1 3.05Å; N208-N212 WeakPolarHBondContact O-CB 3.34Å; N208-N212 PolarHBondContact O-N 2.9Å; N208-N212 PolarHBondContact O-ND2 3.18Å; L209-N212 CarbonylContact O-C 3.5Å; L209-N212 WeakPolarHBondContact O-CA 3.32Å; L209-N212 PolarHBondContact O-N 3.03Å; H210-N212 PolarHBondContact O-N 2.93Å; H210-N212 VanDerWaalsContact O-N 3.11Å; N212-K214 VanDerWaalsContact C-N 3.3Å; N212-K214 HydrophobicContact CB-CG 4.12Å; N212-K214 PolarHBondContact O-N 2.92Å
213G98.5Very high98.6Very high65 Ų6527.6 Ų27.667%0.6716%0.164SC*.THydrogen-bonded Turntrans64.831.7179.900000113.4L209 H210L209-G213 PolarHBondContact O-N 3.27Å; H210-G213 PolarHBondContact O-N 3.43Å
214K98.9Very high98.6Very high24 Ų2426.3 Ų26.310%0.10416%0.156CC..  trans-108.7133-177-57.1-53.3175.2-172.50110.5L174 F179 D180 L209 H210 N212L174-K214 HydrophobicContact CB-CD 4.33Å; L174-K214 HydrophobicContact CB-CG 4.48Å; L174-K214 HydrophobicContact CD1-CB 4.27Å; L174-K214 HydrophobicContact CD1-CG 4.05Å; F179-K214 WeakPolarHBondContact O-CD 3.3Å; F179-K214 WeakPolarHBondContact O-CE 3.24Å; F179-K214 PolarHBondContact O-NZ 3.07Å; D180-K214 WeakPolarHBondContact O-CA 3.41Å; L209-K214 CarbonylContact C-O 3.41Å; L209-K214 HydrophobicContact CB-CB 4.13Å; L209-K214 HydrophobicContact CD2-CB 3.76Å; L209-K214 HydrophobicContact CD2-CG 4.46Å; L209-K214 VanDerWaalsContact O-CB 3.31Å; L209-K214 WeakPolarHBondContact O-CB 3.49Å; L209-K214 PolarHBondContact O-N 2.93Å; H210-K214 PolarHBondContact CD2-O 3.33Å; N212-K214 VanDerWaalsContact C-N 3.3Å; N212-K214 HydrophobicContact CB-CG 4.12Å; N212-K214 PolarHBondContact O-N 2.92Å
215L98.9Very high98.5Very high41 Ų4127.2 Ų27.222%0.21516%0.16CC..EExtended strand (participates in β ladder)trans-66.7145.5171.7-66.3170.1000110.7L99 K138 V140 D180 G181 A182 D246L99-L215 HydrophobicContact CD2-CD1 3.79Å; K138-L215 HydrophobicContact CB-CD1 4.03Å; K138-L215 HydrophobicContact CD-CD1 4.43Å; K138-L215 HydrophobicContact CG-CD1 4.01Å; V140-L215 HydrophobicContact CG1-CB 4.34Å; V140-L215 HydrophobicContact CG1-CD1 4.31Å; D180-L215 PolarHBondContact O-N 2.93Å; G181-L215 CarbonylContact C-O 3.29Å; G181-L215 WeakPolarHBondContact CA-O 3.3Å; A182-L215 PolarHBondContact N-O 2.69Å; L215-D246 HydrophobicContact CD2-CB 4.28Å
216F98.9Very high98.3Very high0 Ų030.8 Ų30.80%017%0.174CC..EExtended strand (participates in β ladder)trans-117.4112.5173.9-178.6-158.1000111.1I184 T202 L205 L209 L218 V245 D246 Y247I184-F216 HydrophobicContact CB-CE2 3.76Å; I184-F216 HydrophobicContact CG1-CD2 3.85Å; I184-F216 HydrophobicContact CG1-CE2 3.45Å; I184-F216 VanDerWaalsContact CG1-CE2 3.45Å; I184-F216 HydrophobicContact CG1-CZ 4.48Å; T202-F216 HydrophobicContact CG2-CE1 3.83Å; T202-F216 HydrophobicContact CG2-CZ 3.83Å; L205-F216 HydrophobicContact CD2-CZ 4.49Å; L209-F216 HydrophobicContact CD1-CB 3.69Å; L209-F216 HydrophobicContact CD1-CD1 4.41Å; L209-F216 HydrophobicContact CD1-CD2 3.75Å; L209-F216 HydrophobicContact CD1-CG 3.69Å; F216-L218 HydrophobicContact CE2-CB 4.02Å; F216-L218 HydrophobicContact CE2-CD1 4.29Å; F216-L218 HydrophobicContact CZ-CB 4.02Å; F216-L218 HydrophobicContact CZ-CD1 4.09Å; F216-L218 HydrophobicContact CZ-CG 4.47Å; F216-V245 HydrophobicContact CD1-CG2 3.97Å; F216-V245 HydrophobicContact CE1-CG2 3.66Å; F216-V245 HydrophobicContact CZ-CG2 4.23Å; F216-D246 PolarHBondContact N-OD2 3.34Å; F216-D246 WeakPolarHBondContact O-CB 3.44Å; F216-D246 PolarHBondContact O-N 3.1Å; F216-Y247 PolarHBondContact O-N 3.19Å
217V98.9Very high98Very high0 Ų038.1 Ų38.10%021%0.208CC..EExtended strand (participates in β ladder)trans-107.4123.2169.9-175.40000109.2L76 L99 A182 V183 I184 Y247L76-V217 HydrophobicContact CD2-CG1 4.1Å; L99-V217 HydrophobicContact CD1-CG2 4.48Å; A182-V217 PolarHBondContact O-N 3.37Å; V183-V217 CarbonylContact C-O 3.53Å; V183-V217 VanDerWaalsContact CA-O 3.3Å; V183-V217 WeakPolarHBondContact CA-O 3.38Å; V183-V217 HydrophobicContact CB-CB 4.31Å; V183-V217 HydrophobicContact CG1-CG1 4.39Å; V183-V217 HydrophobicContact CG2-CB 3.76Å; V183-V217 HydrophobicContact CG2-CG1 4.01Å; V183-V217 HydrophobicContact CG2-CG2 4.19Å; I184-V217 PolarHBondContact N-O 2.77Å; V217-Y247 CarbonylContact C-O 3.45Å; V217-Y247 WeakPolarHBondContact CA-O 3.27Å; V217-Y247 WeakPolarHBondContact CG1-O 3.23Å; V217-Y247 HydrophobicContact CG2-CD2 4.23Å
218L98.9Very high97.8Very high0 Ų036 Ų360%020%0.204CC..EExtended strand (participates in β ladder)trans-101.9124177.7-177.461.4000110.5W187 T202 F216 I220 F233 L241 V245 Y247 F248 S249W187-L218 HydrophobicContact CE3-CD2 4.15Å; W187-L218 HydrophobicContact CZ3-CD2 4.39Å; T202-L218 HydrophobicContact CG2-CD2 4.18Å; F216-L218 HydrophobicContact CE2-CB 4.02Å; F216-L218 HydrophobicContact CE2-CD1 4.29Å; F216-L218 HydrophobicContact CZ-CB 4.02Å; F216-L218 HydrophobicContact CZ-CD1 4.09Å; F216-L218 HydrophobicContact CZ-CG 4.47Å; L218-I220 HydrophobicContact CD2-CG2 4.06Å; L218-I220 HydrophobicContact CG-CG2 3.93Å; L218-F233 HydrophobicContact CD2-CE2 4.5Å; L218-L241 HydrophobicContact CD2-CD1 4.06Å; L218-V245 HydrophobicContact CB-CG1 3.84Å; L218-V245 HydrophobicContact CB-CG2 4.16Å; L218-V245 HydrophobicContact CD2-CG2 4.21Å; L218-Y247 PolarHBondContact N-O 3Å; L218-F248 HydrophobicContact CB-CD1 4.28Å; L218-F248 HydrophobicContact CD2-CD1 4.29Å; L218-F248 HydrophobicContact CD2-CE1 4.05Å; L218-F248 CarbonylContact O-C 3.14Å; L218-F248 WeakPolarHBondContact O-CA 3.42Å; L218-S249 PolarHBondContact O-N 3.13Å
219V98.8Very high97.7Very high3 Ų337.7 Ų37.72%0.01821%0.213CC..EExtended strand (participates in β ladder)trans-77.7125.5171.4-176.20000109.2V183 I184 E185 S249 M251V183-V219 HydrophobicContact CG1-CG2 3.41Å; V183-V219 VanDerWaalsContact CG1-CG2 3.41Å; I184-V219 PolarHBondContact O-N 3.15Å; E185-V219 HydrophobicContact CB-CB 4.03Å; E185-V219 HydrophobicContact CB-CG2 3.94Å; E185-V219 HydrophobicContact CG-CB 4Å; E185-V219 HydrophobicContact CG-CG1 4.02Å; E185-V219 HydrophobicContact CG-CG2 4.32Å; V219-S249 WeakPolarHBondContact CA-O 3.34Å; V219-M251 HydrophobicContact CG1-CE 3.97Å; V219-M251 HydrophobicContact CG1-CG 3.69Å; V219-M251 HydrophobicContact CG1-SD 3.46Å; V219-M251 WeakPolarHBondContact CG1-SD 3.29Å
220I98.6Very high97.6Very high0 Ų042.9 Ų42.90%024%0.237CC..EExtended strand (participates in β ladder)trans-124.3139.8-178.861.7169.8000111.6L218 F233 F248 S249 L250 M251 L277L218-I220 HydrophobicContact CD2-CG2 4.06Å; L218-I220 HydrophobicContact CG-CG2 3.93Å; I220-F233 HydrophobicContact CB-CD1 4.23Å; I220-F233 HydrophobicContact CB-CD2 3.97Å; I220-F233 HydrophobicContact CB-CE1 4.45Å; I220-F233 HydrophobicContact CB-CE2 4.29Å; I220-F233 HydrophobicContact CB-CG 4.01Å; I220-F233 HydrophobicContact CD1-CD1 3.85Å; I220-F233 HydrophobicContact CD1-CE1 3.67Å; I220-F233 HydrophobicContact CD1-CG 4.48Å; I220-F233 HydrophobicContact CD1-CZ 4.24Å; I220-F233 HydrophobicContact CG2-CD1 4.36Å; I220-F233 HydrophobicContact CG2-CD2 3.57Å; I220-F233 HydrophobicContact CG2-CE1 4.2Å; I220-F233 HydrophobicContact CG2-CE2 3.47Å; I220-F233 VanDerWaalsContact CG2-CE2 3.47Å; I220-F233 HydrophobicContact CG2-CG 4.09Å; I220-F233 HydrophobicContact CG2-CZ 3.8Å; I220-F248 HydrophobicContact CD1-CB 3.8Å; I220-F248 HydrophobicContact CD1-CD1 4.06Å; I220-F248 HydrophobicContact CD1-CG 4.26Å; I220-F248 HydrophobicContact CG1-CB 4.23Å; I220-F248 HydrophobicContact CG2-CD1 3.82Å; I220-S249 PolarHBondContact N-O 3.23Å; I220-L250 HydrophobicContact CD1-CB 4.4Å; I220-L250 HydrophobicContact CD1-CD1 3.93Å; I220-L250 HydrophobicContact CG1-CB 4.19Å; I220-L250 HydrophobicContact CG1-CD1 3.87Å; I220-M251 PolarHBondContact O-N 3.32Å; I220-L277 HydrophobicContact CD1-CD1 3.66Å
221P97.9Very high97.5Very high2 Ų239.7 Ų39.71%0.01322%0.223CC..  trans-69.5163.4172.230.9-34.7000111.3Y225 F233 M251P221-Y225 WeakPolarHBondContact CB-OH 3.22Å; P221-F233 HydrophobicContact CG-CB 3.93Å; P221-M251 HydrophobicContact CB-CE 4.08Å
222P98.3Very high97.3Very high5 Ų542.5 Ų42.53%0.03222%0.218CC..  trans-53.6139169.1-27.336.4000112.2V224 Y225 M251 W269P222-V224 VanDerWaalsContact CB-O 3.22Å; P222-V224 WeakPolarHBondContact CB-O 3.3Å; P222-V224 PolarHBondContact O-N 3.12Å; P222-Y225 HydrophobicContact CB-CE1 4.25Å; P222-Y225 HydrophobicContact CG-CE1 4.05Å; P222-M251 WeakPolarHBondContact CD-O 3.43Å; P222-M251 WeakPolarHBondContact CG-O 3.32Å; P222-W269 HydrophobicContact CB-CZ2 3.77Å; P222-W269 HydrophobicContact CG-CH2 4.06Å; P222-W269 HydrophobicContact CG-CZ2 3.6Å
223P98.2Very high97.2Very high2 Ų240.5 Ų40.51%0.01321%0.207CC..SBendtrans-72.3-8.917132.9-38.7000112.7G231 F233 C273 R276 L277P223-G231 PolarHBondContact O-N 3.3Å; P223-F233 VanDerWaalsContact CA-O 3.24Å; P223-F233 WeakPolarHBondContact CA-O 3.37Å; P223-F233 VanDerWaalsContact CB-O 3.27Å; P223-F233 WeakPolarHBondContact CB-O 3.49Å; P223-C273 HydrophobicContact CG-CB 4.09Å; P223-C273 WeakPolarHBondContact CG-O 3.4Å; P223-R276 HydrophobicContact CB-CB 4.01Å; P223-R276 HydrophobicContact CG-CB 3.76Å; P223-L277 HydrophobicContact CB-CD2 3.93Å; P223-L277 HydrophobicContact CB-CG 4.46Å; P223-L277 HydrophobicContact CG-CD2 4.08Å; P223-L277 HydrophobicContact CG-CG 4.07Å
224V98.2Very high97.1Very high1 Ų141.4 Ų41.41%0.00619%0.193CC..BIsolated β-bridgetrans-150.5142.3-179.960.50000109.6P222 I229 W269 E272 R276P222-V224 VanDerWaalsContact CB-O 3.22Å; P222-V224 WeakPolarHBondContact CB-O 3.3Å; P222-V224 PolarHBondContact O-N 3.12Å; V224-I229 CarbonylContact C-O 3.34Å; V224-I229 WeakPolarHBondContact CA-O 3.33Å; V224-W269 PolarHBondContact O-NE1 2.83Å; V224-E272 HydrophobicContact CG1-CG 4.12Å; V224-R276 VanDerWaalsContact CB-CZ 3.46Å
225Y97Very high97Very high89 Ų8943 Ų4335%0.34920%0.201SC..  trans-113.4-170.6174.5-64.7-85.4000110.4P221 P222 G228 I229P221-Y225 WeakPolarHBondContact CB-OH 3.22Å; P222-Y225 HydrophobicContact CB-CE1 4.25Å; P222-Y225 HydrophobicContact CG-CE1 4.05Å; Y225-G228 PolarHBondContact O-N 2.94Å; Y225-I229 PolarHBondContact N-O 2.93Å
226Y94Very high97Very high77 Ų7746.9 Ų46.930%0.30222%0.218SC..G310 helixtrans-49.7149.1176.190.8-93.3000112.1G228 I229 Y255Y226-G228 PolarHBondContact O-N 2.88Å; Y226-I229 HydrophobicContact CD1-CD1 4.04Å; Y226-I229 HydrophobicContact CE1-CD1 3.4Å; Y226-I229 VanDerWaalsContact CE1-CD1 3.4Å; Y226-I229 HydrophobicContact CE2-CD1 4Å; Y226-I229 WeakPolarHBondContact O-CG1 3.28Å; Y226-I229 PolarHBondContact O-N 3.03Å; Y226-Y255 WeakPolarHBondContact CA-OH 3.29Å
227E92.6Very high96.9Very high153 Ų15347.3 Ų47.372%0.71522%0.22SC*.G310 helixtrans55.218.1-179.5-76.9166.2-143.600114.9I229 R260E227-I229 VanDerWaalsContact C-N 3.33Å; E227-R260 IonicContact OE1-NH1 2.81Å; E227-R260 PolarHBondContact OE1-NH1 3.05Å
228G94.3Very high96.9Very high33 Ų3347.3 Ų47.334%0.3422%0.22SC..G310 helixtrans79.414.9177.600000113.8Y225 Y226 E230Y225-G228 PolarHBondContact O-N 2.94Å; Y226-G228 PolarHBondContact O-N 2.88Å; G228-E230 PolarHBondContact O-N 3.47Å
229I96.8Very high96.8Very high80 Ų8051.6 Ų51.641%0.4124%0.236SC..PPolyproline II helixtrans-58.6123.3174.8-66.1171.8000109.1V224 Y225 Y226 E227V224-I229 CarbonylContact C-O 3.34Å; V224-I229 WeakPolarHBondContact CA-O 3.33Å; Y225-I229 PolarHBondContact N-O 2.93Å; Y226-I229 HydrophobicContact CD1-CD1 4.04Å; Y226-I229 HydrophobicContact CE1-CD1 3.4Å; Y226-I229 VanDerWaalsContact CE1-CD1 3.4Å; Y226-I229 HydrophobicContact CE2-CD1 4Å; Y226-I229 WeakPolarHBondContact O-CG1 3.28Å; Y226-I229 PolarHBondContact O-N 3.03Å; E227-I229 VanDerWaalsContact C-N 3.33Å
230E96.5Very high96.7Very high108 Ų10856 Ų5651%0.50526%0.26SS..BIsolated β-bridgetrans-62.5136-178.3-71.1-60.8142.800112.2G228 R276G228-E230 PolarHBondContact O-N 3.47Å; E230-R276 IonicContact OE1-CZ 2.81Å; E230-R276 IonicContact OE1-NH1 3.77Å; E230-R276 PolarHBondContact OE1-NH1 3.27Å; E230-R276 IonicContact OE1-NH2 2.92Å; E230-R276 IonicContact OE2-NH1 3.73Å; E230-R276 PolarHBondContact OE2-NH1 2.68Å
231G95.9Very high96.7Very high5 Ų556 Ų565%0.05226%0.26CS..PPolyproline II helixtrans-80.7168.7173.700000113.6P223 F233P223-G231 PolarHBondContact O-N 3.3Å; G231-F233 VanDerWaalsContact C-N 3.35Å
232R93.9Very high96.7Very high162 Ų16256.1 Ų56.161%0.61126%0.26SS*.SBendtrans-86-3.1177.1-67.7-173.2178.2-178.41.7114.2W187W187-R232 PolarHBondContact NE1-O 3.02Å
233F97.1Very high96.7Very high0 Ų061.5 Ų61.50%029%0.289CS..SBendtrans-126.1117.8176.5-171-78.4000107.7W187 L218 I220 P221 P223 G231 D237 F238 L241 F248 L277W187-F233 AromaticContact CD1-CD2 3.94Å; W187-F233 AromaticContact CD2-CD2 3.53Å; W187-F233 HydrophobicContact CD2-CD2 3.53Å; W187-F233 AromaticContact CD2-CE2 4Å; W187-F233 HydrophobicContact CD2-CE2 4Å; W187-F233 AromaticContact CE2-CD2 3.24Å; W187-F233 AromaticContact CE2-CE2 3.9Å; W187-F233 HydrophobicContact CE3-CD2 4.05Å; W187-F233 HydrophobicContact CE3-CE2 4.02Å; W187-F233 AromaticContact CG-CD2 3.97Å; W187-F233 HydrophobicContact CG-CD2 3.97Å; W187-F233 AromaticContact CH2-CD2 3.98Å; W187-F233 HydrophobicContact CH2-CD2 3.98Å; W187-F233 AromaticContact CH2-CE2 3.8Å; W187-F233 HydrophobicContact CH2-CE2 3.8Å; W187-F233 AromaticContact CZ2-CD2 3.46Å; W187-F233 HydrophobicContact CZ2-CD2 3.46Å; W187-F233 VanDerWaalsContact CZ2-CD2 3.46Å; W187-F233 AromaticContact CZ2-CE2 3.77Å; W187-F233 HydrophobicContact CZ2-CE2 3.77Å; W187-F233 HydrophobicContact CZ2-CG 4.41Å; W187-F233 HydrophobicContact CZ3-CD2 4.27Å; W187-F233 AromaticContact CZ3-CE2 3.95Å; W187-F233 HydrophobicContact CZ3-CE2 3.95Å; W187-F233 AromaticContact NE1-CD2 3.52Å; L218-F233 HydrophobicContact CD2-CE2 4.5Å; I220-F233 HydrophobicContact CB-CD1 4.23Å; I220-F233 HydrophobicContact CB-CD2 3.97Å; I220-F233 HydrophobicContact CB-CE1 4.45Å; I220-F233 HydrophobicContact CB-CE2 4.29Å; I220-F233 HydrophobicContact CB-CG 4.01Å; I220-F233 HydrophobicContact CD1-CD1 3.85Å; I220-F233 HydrophobicContact CD1-CE1 3.67Å; I220-F233 HydrophobicContact CD1-CG 4.48Å; I220-F233 HydrophobicContact CD1-CZ 4.24Å; I220-F233 HydrophobicContact CG2-CD1 4.36Å; I220-F233 HydrophobicContact CG2-CD2 3.57Å; I220-F233 HydrophobicContact CG2-CE1 4.2Å; I220-F233 HydrophobicContact CG2-CE2 3.47Å; I220-F233 VanDerWaalsContact CG2-CE2 3.47Å; I220-F233 HydrophobicContact CG2-CG 4.09Å; I220-F233 HydrophobicContact CG2-CZ 3.8Å; P221-F233 HydrophobicContact CG-CB 3.93Å; P223-F233 VanDerWaalsContact CA-O 3.24Å; P223-F233 WeakPolarHBondContact CA-O 3.37Å; P223-F233 VanDerWaalsContact CB-O 3.27Å; P223-F233 WeakPolarHBondContact CB-O 3.49Å; G231-F233 VanDerWaalsContact C-N 3.35Å; F233-D237 HydrophobicContact CD2-CB 4.27Å; F233-D237 HydrophobicContact CE1-CB 4.41Å; F233-D237 HydrophobicContact CE2-CB 4.04Å; F233-D237 HydrophobicContact CG-CB 4.47Å; F233-D237 HydrophobicContact CZ-CB 4.11Å; F233-F238 HydrophobicContact CE1-CB 3.71Å; F233-F238 HydrophobicContact CE1-CD2 4.05Å; F233-F238 HydrophobicContact CE1-CG 4.39Å; F233-F238 HydrophobicContact CZ-CB 4.19Å; F233-F238 HydrophobicContact CZ-CD2 4.47Å; F233-L241 HydrophobicContact CE2-CD1 4.14Å; F233-F248 HydrophobicContact CE2-CE1 4.47Å; F233-F248 HydrophobicContact CZ-CD1 4.07Å; F233-F248 AromaticContact CZ-CE1 3.79Å; F233-F248 HydrophobicContact CZ-CE1 3.79Å; F233-L277 HydrophobicContact CD1-CD2 3.69Å; F233-L277 HydrophobicContact CE1-CD2 3.92Å
234K96.6Very high96.7Very high85 Ų8565.6 Ų65.637%0.3730%0.304SS..  trans-118.3178.2-170.8-65179.8178.6-179.50112.2E236 D237 F238K234-E236 VanDerWaalsContact C-N 3.26Å; K234-E236 PolarHBondContact O-N 3.32Å; K234-D237 PolarHBondContact N-OD2 3.48Å; K234-D237 PolarHBondContact O-N 3.5Å; K234-F238 PolarHBondContact O-N 2.97Å
235E97.7Very high96.7Very high58 Ų5865.7 Ų65.727%0.27131%0.305SS..Hα-helixtrans-54.2-43.3173.3-174.4175.3167.500112D237 F238 R239 R276 P279E235-D237 PolarHBondContact O-N 3.04Å; E235-F238 WeakPolarHBondContact O-CB 3.15Å; E235-F238 PolarHBondContact O-N 2.86Å; E235-R239 HydrophobicContact CG-CG 4.37Å; E235-R239 WeakPolarHBondContact O-CG 3.37Å; E235-R239 PolarHBondContact O-N 3.42Å; E235-R239 IonicContact OE1-CZ 3.45Å; E235-R239 IonicContact OE1-NE 3.67Å; E235-R239 PolarHBondContact OE1-NE 3.02Å; E235-R239 IonicContact OE1-NH2 2.66Å; E235-R239 PolarHBondContact OE1-NH2 3.38Å; E235-R276 WeakPolarHBondContact CB-O 3.34Å; E235-P279 WeakPolarHBondContact OE2-CG 3.32Å
236E97.2Very high96.8Very high121 Ų12163.8 Ų63.857%0.56530%0.301SS*.Hα-helixtrans-61.5-46-178.9-58.799.9-157.700111.2K234 F238 R239 L240K234-E236 VanDerWaalsContact C-N 3.26Å; K234-E236 PolarHBondContact O-N 3.32Å; E236-F238 PolarHBondContact O-N 3.23Å; E236-R239 PolarHBondContact O-N 3.26Å; E236-L240 VanDerWaalsContact O-CG 3.31Å; E236-L240 WeakPolarHBondContact O-CG 3.25Å; E236-L240 PolarHBondContact O-N 3.19Å
237D97.4Very high97.1Very high10 Ų1062.8 Ų62.85%0.05330%0.297CS..Hα-helixtrans-62.3-44.2177.4-52.6-48.3000111.3W187 L195 F233 K234 E235 R239 L240 L241W187-D237 HydrophobicContact CH2-CB 4.09Å; W187-D237 HydrophobicContact CZ2-CB 3.91Å; L195-D237 WeakPolarHBondContact CD2-OD1 3.28Å; F233-D237 HydrophobicContact CD2-CB 4.27Å; F233-D237 HydrophobicContact CE1-CB 4.41Å; F233-D237 HydrophobicContact CE2-CB 4.04Å; F233-D237 HydrophobicContact CG-CB 4.47Å; F233-D237 HydrophobicContact CZ-CB 4.11Å; K234-D237 PolarHBondContact N-OD2 3.48Å; K234-D237 PolarHBondContact O-N 3.5Å; E235-D237 PolarHBondContact O-N 3.04Å; D237-R239 VanDerWaalsContact C-N 3.33Å; D237-R239 PolarHBondContact O-N 3.49Å; D237-L240 PolarHBondContact O-N 2.68Å; D237-L241 WeakPolarHBondContact O-CB 3.32Å; D237-L241 WeakPolarHBondContact O-CG 3.4Å; D237-L241 PolarHBondContact O-N 2.81Å; D237-L241 VanDerWaalsContact O-N 3.09Å
238F98.3Very high97.4Very high0 Ų055.5 Ų55.50%026%0.263CS..Hα-helixtrans-56.4-48.2175.5-174.6-93.8000111.1F233 K234 E235 E236 L241 A242 F248 L277 V278 L288 I292F233-F238 HydrophobicContact CE1-CB 3.71Å; F233-F238 HydrophobicContact CE1-CD2 4.05Å; F233-F238 HydrophobicContact CE1-CG 4.39Å; F233-F238 HydrophobicContact CZ-CB 4.19Å; F233-F238 HydrophobicContact CZ-CD2 4.47Å; K234-F238 PolarHBondContact O-N 2.97Å; E235-F238 WeakPolarHBondContact O-CB 3.15Å; E235-F238 PolarHBondContact O-N 2.86Å; E236-F238 PolarHBondContact O-N 3.23Å; F238-L241 PolarHBondContact O-N 3.31Å; F238-A242 HydrophobicContact CE1-CB 4.37Å; F238-A242 VanDerWaalsContact O-CB 3.31Å; F238-A242 WeakPolarHBondContact O-CB 3.33Å; F238-A242 PolarHBondContact O-N 2.79Å; F238-F248 HydrophobicContact CD2-CD1 4.32Å; F238-F248 AromaticContact CD2-CD2 4Å; F238-F248 HydrophobicContact CD2-CD2 4Å; F238-F248 HydrophobicContact CD2-CE1 4.27Å; F238-F248 AromaticContact CD2-CE2 3.95Å; F238-F248 HydrophobicContact CD2-CE2 3.95Å; F238-F248 HydrophobicContact CD2-CG 4.16Å; F238-F248 HydrophobicContact CD2-CZ 4.08Å; F238-F248 HydrophobicContact CE2-CB 4.4Å; F238-F248 HydrophobicContact CE2-CD1 4.4Å; F238-F248 AromaticContact CE2-CD2 3.33Å; F238-F248 HydrophobicContact CE2-CD2 3.33Å; F238-F248 AromaticContact CE2-CE2 3.51Å; F238-F248 HydrophobicContact CE2-CE2 3.51Å; F238-F248 AromaticContact CE2-CG 3.8Å; F238-F248 HydrophobicContact CE2-CG 3.8Å; F238-F248 HydrophobicContact CE2-CZ 4.12Å; F238-F248 HydrophobicContact CZ-CD2 4.06Å; F238-F248 HydrophobicContact CZ-CE2 4.03Å; F238-L277 HydrophobicContact CB-CD2 4.36Å; F238-L277 HydrophobicContact CD2-CB 4.31Å; F238-L277 HydrophobicContact CD2-CD1 4.39Å; F238-L277 HydrophobicContact CG-CB 4.33Å; F238-V278 HydrophobicContact CD1-CG2 4.01Å; F238-V278 HydrophobicContact CE1-CG2 3.47Å; F238-V278 VanDerWaalsContact CE1-CG2 3.47Å; F238-V278 HydrophobicContact CZ-CG2 3.91Å; F238-L288 HydrophobicContact CE1-CB 3.97Å; F238-L288 HydrophobicContact CE1-CD2 3.98Å; F238-L288 HydrophobicContact CE1-CG 4.38Å; F238-L288 HydrophobicContact CZ-CB 4.46Å; F238-I292 HydrophobicContact CE2-CD1 4.01Å; F238-I292 HydrophobicContact CE2-CG1 3.62Å; F238-I292 HydrophobicContact CZ-CD1 4Å; F238-I292 HydrophobicContact CZ-CG1 3.77Å
239R97.4Very high97.6Very high90 Ų9053.9 Ų53.934%0.3425%0.247SC..Hα-helixtrans-66.5-38.9-178.5-73-176.5-177.9-65.2-4.9112.5E235 E236 D237 L241 S282E235-R239 HydrophobicContact CG-CG 4.37Å; E235-R239 WeakPolarHBondContact O-CG 3.37Å; E235-R239 PolarHBondContact O-N 3.42Å; E235-R239 IonicContact OE1-CZ 3.45Å; E235-R239 IonicContact OE1-NE 3.67Å; E235-R239 PolarHBondContact OE1-NE 3.02Å; E235-R239 IonicContact OE1-NH2 2.66Å; E235-R239 PolarHBondContact OE1-NH2 3.38Å; E236-R239 PolarHBondContact O-N 3.26Å; D237-R239 VanDerWaalsContact C-N 3.33Å; D237-R239 PolarHBondContact O-N 3.49Å; R239-L241 VanDerWaalsContact C-N 3.27Å; R239-L241 PolarHBondContact O-N 3.05Å; R239-S282 PolarHBondContact NH2-OG 3.49Å
240L97.3Very high97.7Very high96 Ų9650.1 Ų50.150%0.50323%0.227SC..Hα-helixtrans-63.3-35.2176.3-73.1169.6000112I199 E236 D237 Y244I199-L240 HydrophobicContact CD1-CD1 4.11Å; E236-L240 VanDerWaalsContact O-CG 3.31Å; E236-L240 WeakPolarHBondContact O-CG 3.25Å; E236-L240 PolarHBondContact O-N 3.19Å; D237-L240 PolarHBondContact O-N 2.68Å; L240-Y244 WeakPolarHBondContact O-CD2 3.06Å; L240-Y244 WeakPolarHBondContact O-CE2 3.43Å
241L98.4Very high97.8Very high0 Ų046.3 Ų46.30%021%0.21CC..Hα-helixtrans-97.8-12.5-174.2-65.2172.6000114.5W187 I199 T202 V203 L218 F233 D237 F238 R239 D243 Y244 V245 F248W187-L241 HydrophobicContact CE3-CD1 4.42Å; W187-L241 HydrophobicContact CH2-CD1 3.61Å; W187-L241 HydrophobicContact CZ3-CD1 3.36Å; I199-L241 HydrophobicContact CG2-CD2 4.28Å; T202-L241 HydrophobicContact CG2-CD1 4.29Å; T202-L241 HydrophobicContact CG2-CD2 3.76Å; V203-L241 HydrophobicContact CG2-CD2 4.25Å; L218-L241 HydrophobicContact CD2-CD1 4.06Å; F233-L241 HydrophobicContact CE2-CD1 4.14Å; D237-L241 WeakPolarHBondContact O-CB 3.32Å; D237-L241 WeakPolarHBondContact O-CG 3.4Å; D237-L241 PolarHBondContact O-N 2.81Å; D237-L241 VanDerWaalsContact O-N 3.09Å; F238-L241 PolarHBondContact O-N 3.31Å; R239-L241 VanDerWaalsContact C-N 3.27Å; R239-L241 PolarHBondContact O-N 3.05Å; L241-D243 PolarHBondContact O-N 2.87Å; L241-D243 VanDerWaalsContact O-N 3.14Å; L241-Y244 PolarHBondContact O-N 3.38Å; L241-V245 HydrophobicContact CB-CG2 4.16Å; L241-V245 PolarHBondContact O-N 2.9Å; L241-F248 HydrophobicContact CB-CE1 4.12Å; L241-F248 HydrophobicContact CB-CZ 3.91Å
242A98.3Very high97.9Very high3 Ų346.1 Ų46.13%0.02521%0.208CC..THydrogen-bonded Turntrans-60.8-26-172.700000114.5F238 L288 Q291F238-A242 HydrophobicContact CE1-CB 4.37Å; F238-A242 VanDerWaalsContact O-CB 3.31Å; F238-A242 WeakPolarHBondContact O-CB 3.33Å; F238-A242 PolarHBondContact O-N 2.79Å; A242-L288 HydrophobicContact CB-CD2 3.68Å; A242-Q291 PolarHBondContact O-NE2 3.49Å
243D97.7Very high98.1Very high118 Ų11839.5 Ų39.563%0.63118%0.183SC*.THydrogen-bonded Turntrans-87.5-7.6176.1-70.8-34.8000113.5L241 K287L241-D243 PolarHBondContact O-N 2.87Å; L241-D243 VanDerWaalsContact O-N 3.14Å; D243-K287 IonicContact OD1-NZ 2.88Å; D243-K287 PolarHBondContact OD1-NZ 2.77Å
244Y98.6Very high98.1Very high88 Ų8843.8 Ų43.835%0.34521%0.206SC..THydrogen-bonded Turntrans-106.7-24.6178.8-56.8-81.1000112.3V203 S206 H210 L240 L241V203-Y244 HydrophobicContact CB-CD1 4.42Å; V203-Y244 HydrophobicContact CB-CE1 4.46Å; V203-Y244 HydrophobicContact CG1-CD1 3.86Å; V203-Y244 HydrophobicContact CG1-CE1 3.57Å; V203-Y244 HydrophobicContact CG2-CD1 4.23Å; V203-Y244 HydrophobicContact CG2-CD2 3.98Å; V203-Y244 HydrophobicContact CG2-CE1 4.25Å; V203-Y244 HydrophobicContact CG2-CE2 3.99Å; V203-Y244 HydrophobicContact CG2-CG 4.09Å; S206-Y244 WeakPolarHBondContact OG-CA 3.22Å; S206-Y244 WeakPolarHBondContact OG-CB 3.46Å; S206-Y244 PolarHBondContact OG-O 2.93Å; H210-Y244 PolarHBondContact CE1-O 3.39Å; L240-Y244 WeakPolarHBondContact O-CD2 3.06Å; L240-Y244 WeakPolarHBondContact O-CE2 3.43Å; L241-Y244 PolarHBondContact O-N 3.38Å
245V98.7Very high98.2Very high3 Ų342.9 Ų42.92%0.01820%0.2CC..  trans-104.4127.1-175.6179.20000110.4F216 L218 L241 Y247 F248 Q291F216-V245 HydrophobicContact CD1-CG2 3.97Å; F216-V245 HydrophobicContact CE1-CG2 3.66Å; F216-V245 HydrophobicContact CZ-CG2 4.23Å; L218-V245 HydrophobicContact CB-CG1 3.84Å; L218-V245 HydrophobicContact CB-CG2 4.16Å; L218-V245 HydrophobicContact CD2-CG2 4.21Å; L241-V245 HydrophobicContact CB-CG2 4.16Å; L241-V245 PolarHBondContact O-N 2.9Å; V245-Y247 VanDerWaalsContact CG1-C 3.46Å; V245-Y247 WeakPolarHBondContact CG1-O 3.48Å; V245-F248 HydrophobicContact CB-CD2 4.4Å; V245-F248 HydrophobicContact CB-CE1 4.02Å; V245-F248 HydrophobicContact CB-CE2 3.78Å; V245-F248 HydrophobicContact CB-CZ 3.57Å; V245-F248 HydrophobicContact CG1-CD1 4.11Å; V245-F248 HydrophobicContact CG1-CD2 4Å; V245-F248 HydrophobicContact CG1-CE1 4.01Å; V245-F248 HydrophobicContact CG1-CE2 3.89Å; V245-F248 HydrophobicContact CG1-CG 4.13Å; V245-F248 HydrophobicContact CG1-CZ 3.91Å; V245-F248 HydrophobicContact CG2-CE1 3.96Å; V245-F248 HydrophobicContact CG2-CZ 3.85Å; V245-Q291 PolarHBondContact O-NE2 3.07Å
246D98.9Very high98.2Very high50 Ų5041 Ų4127%0.26719%0.194SC..SBendtrans-68-44.9174.8-64-83.2000110.9H210 L215 F216H210-D246 IonicContact CD2-OD2 3.99Å; H210-D246 IonicContact CE1-OD2 2.86Å; H210-D246 IonicContact NE2-OD1 3.19Å; H210-D246 IonicContact NE2-OD2 3.37Å; H210-D246 PolarHBondContact NE2-OD2 3.01Å; L215-D246 HydrophobicContact CD2-CB 4.28Å; F216-D246 PolarHBondContact N-OD2 3.34Å; F216-D246 WeakPolarHBondContact O-CB 3.44Å; F216-D246 PolarHBondContact O-N 3.1Å
247Y98.9Very high98.2Very high55 Ų5537.4 Ų37.422%0.21618%0.182CC..EExtended strand (participates in β ladder)trans-144142.6178.8-59.8-77.1000113.3T74 L99 F216 V217 L218 V245 Q291 L293T74-Y247 HydrophobicContact CG2-CD1 4.31Å; T74-Y247 HydrophobicContact CG2-CE1 3.78Å; T74-Y247 HydrophobicContact CG2-CE2 4.5Å; T74-Y247 PolarHBondContact OG1-OH 3.17Å; L99-Y247 HydrophobicContact CD1-CD2 3.85Å; L99-Y247 HydrophobicContact CD1-CE2 3.96Å; L99-Y247 HydrophobicContact CD1-CG 4.41Å; F216-Y247 PolarHBondContact O-N 3.19Å; V217-Y247 CarbonylContact C-O 3.45Å; V217-Y247 WeakPolarHBondContact CA-O 3.27Å; V217-Y247 WeakPolarHBondContact CG1-O 3.23Å; V217-Y247 HydrophobicContact CG2-CD2 4.23Å; L218-Y247 PolarHBondContact N-O 3Å; V245-Y247 VanDerWaalsContact CG1-C 3.46Å; V245-Y247 WeakPolarHBondContact CG1-O 3.48Å; Y247-Q291 CarbonylContact C-O 3.54Å; Y247-Q291 VanDerWaalsContact CA-O 3.25Å; Y247-Q291 WeakPolarHBondContact CA-O 3.35Å; Y247-L293 HydrophobicContact CD1-CD1 4.08Å; Y247-L293 HydrophobicContact CD1-CD2 3.74Å; Y247-L293 HydrophobicContact CD1-CG 3.95Å; Y247-L293 HydrophobicContact CE1-CD2 4.31Å; Y247-L293 HydrophobicContact CG-CD1 3.91Å; Y247-L293 HydrophobicContact CG-CD2 4.42Å; Y247-L293 HydrophobicContact CG-CG 4.19Å
248F98.9Very high98.2Very high0 Ų038.9 Ų38.90%019%0.192CC..EExtended strand (participates in β ladder)trans-102.3116.4169.9-64-92.3000109.4L218 I220 F233 F238 L241 V245 L250 Q291 L293L218-F248 HydrophobicContact CB-CD1 4.28Å; L218-F248 HydrophobicContact CD2-CD1 4.29Å; L218-F248 HydrophobicContact CD2-CE1 4.05Å; L218-F248 CarbonylContact O-C 3.14Å; L218-F248 WeakPolarHBondContact O-CA 3.42Å; I220-F248 HydrophobicContact CD1-CB 3.8Å; I220-F248 HydrophobicContact CD1-CD1 4.06Å; I220-F248 HydrophobicContact CD1-CG 4.26Å; I220-F248 HydrophobicContact CG1-CB 4.23Å; I220-F248 HydrophobicContact CG2-CD1 3.82Å; F233-F248 HydrophobicContact CE2-CE1 4.47Å; F233-F248 HydrophobicContact CZ-CD1 4.07Å; F233-F248 AromaticContact CZ-CE1 3.79Å; F233-F248 HydrophobicContact CZ-CE1 3.79Å; F238-F248 HydrophobicContact CD2-CD1 4.32Å; F238-F248 AromaticContact CD2-CD2 4Å; F238-F248 HydrophobicContact CD2-CD2 4Å; F238-F248 HydrophobicContact CD2-CE1 4.27Å; F238-F248 AromaticContact CD2-CE2 3.95Å; F238-F248 HydrophobicContact CD2-CE2 3.95Å; F238-F248 HydrophobicContact CD2-CG 4.16Å; F238-F248 HydrophobicContact CD2-CZ 4.08Å; F238-F248 HydrophobicContact CE2-CB 4.4Å; F238-F248 HydrophobicContact CE2-CD1 4.4Å; F238-F248 AromaticContact CE2-CD2 3.33Å; F238-F248 HydrophobicContact CE2-CD2 3.33Å; F238-F248 AromaticContact CE2-CE2 3.51Å; F238-F248 HydrophobicContact CE2-CE2 3.51Å; F238-F248 AromaticContact CE2-CG 3.8Å; F238-F248 HydrophobicContact CE2-CG 3.8Å; F238-F248 HydrophobicContact CE2-CZ 4.12Å; F238-F248 HydrophobicContact CZ-CD2 4.06Å; F238-F248 HydrophobicContact CZ-CE2 4.03Å; L241-F248 HydrophobicContact CB-CE1 4.12Å; L241-F248 HydrophobicContact CB-CZ 3.91Å; V245-F248 HydrophobicContact CB-CD2 4.4Å; V245-F248 HydrophobicContact CB-CE1 4.02Å; V245-F248 HydrophobicContact CB-CE2 3.78Å; V245-F248 HydrophobicContact CB-CZ 3.57Å; V245-F248 HydrophobicContact CG1-CD1 4.11Å; V245-F248 HydrophobicContact CG1-CD2 4Å; V245-F248 HydrophobicContact CG1-CE1 4.01Å; V245-F248 HydrophobicContact CG1-CE2 3.89Å; V245-F248 HydrophobicContact CG1-CG 4.13Å; V245-F248 HydrophobicContact CG1-CZ 3.91Å; V245-F248 HydrophobicContact CG2-CE1 3.96Å; V245-F248 HydrophobicContact CG2-CZ 3.85Å; F248-L250 PolarHBondContact O-N 3.29Å; F248-Q291 HydrophobicContact CD2-CB 4.23Å; F248-Q291 PolarHBondContact N-O 2.92Å; F248-L293 PolarHBondContact O-N 3.02Å
249S98.9Very high98.1Very high0 Ų046.1 Ų46.10%023%0.226CC..EExtended strand (participates in β ladder)trans-84.698.8172.5-175.10000108.9Y78 L218 V219 I220 S375Y78-S249 WeakPolarHBondContact OH-CB 3.39Å; Y78-S249 PolarHBondContact OH-OG 2.72Å; L218-S249 PolarHBondContact O-N 3.13Å; V219-S249 WeakPolarHBondContact CA-O 3.34Å; I220-S249 PolarHBondContact N-O 3.23Å; S249-S375 WeakPolarHBondContact OG-CB 3.36Å; S249-S375 PolarHBondContact OG-OG 3.44Å
250L98.8Very high98.1Very high0 Ų046.2 Ų46.20%023%0.226CC..EExtended strand (participates in β ladder)trans-87.3119.7-173.7176.164.8000111.4I220 F248 T252 C273 L277 I292 L293 G295I220-L250 HydrophobicContact CD1-CB 4.4Å; I220-L250 HydrophobicContact CD1-CD1 3.93Å; I220-L250 HydrophobicContact CG1-CB 4.19Å; I220-L250 HydrophobicContact CG1-CD1 3.87Å; F248-L250 PolarHBondContact O-N 3.29Å; L250-T252 VanDerWaalsContact C-N 3.33Å; L250-T252 HydrophobicContact CD2-CG2 3.76Å; L250-T252 HydrophobicContact CG-CG2 3.8Å; L250-T252 PolarHBondContact O-N 3.39Å; L250-C273 HydrophobicContact CD2-CB 4.1Å; L250-L277 HydrophobicContact CD1-CD1 4.03Å; L250-L277 HydrophobicContact CD2-CD1 4.09Å; L250-I292 HydrophobicContact CB-CG2 4.22Å; L250-I292 HydrophobicContact CD2-CG2 4.07Å; L250-L293 PolarHBondContact N-O 3Å; L250-G295 WeakPolarHBondContact O-CA 3.39Å; L250-G295 PolarHBondContact O-N 3.04Å
251M98.4Very high98.1Very high29 Ų2943.7 Ų43.714%0.14322%0.215CC..  trans-81.265.8-173.6-60.2-173.7-69.700113.7A188 V219 I220 P221 P222 Y253A188-M251 HydrophobicContact CB-CE 4.11Å; V219-M251 HydrophobicContact CG1-CE 3.97Å; V219-M251 HydrophobicContact CG1-CG 3.69Å; V219-M251 HydrophobicContact CG1-SD 3.46Å; V219-M251 WeakPolarHBondContact CG1-SD 3.29Å; I220-M251 PolarHBondContact O-N 3.32Å; P221-M251 HydrophobicContact CB-CE 4.08Å; P222-M251 WeakPolarHBondContact CD-O 3.43Å; P222-M251 WeakPolarHBondContact CG-O 3.32Å; M251-Y253 HydrophobicContact CB-CE1 4.37Å; M251-Y253 HydrophobicContact CB-CE2 4.19Å; M251-Y253 PolarHBondContact O-N 2.95Å
252T98.4Very high98.1Very high0 Ų043.9 Ų43.90%022%0.217CC..  trans-80.657.4179.147.20000113.8L250 S265 W269 V270 C273 V294 G295L250-T252 VanDerWaalsContact C-N 3.33Å; L250-T252 HydrophobicContact CD2-CG2 3.76Å; L250-T252 HydrophobicContact CG-CG2 3.8Å; L250-T252 PolarHBondContact O-N 3.39Å; T252-S265 WeakPolarHBondContact O-CB 3.35Å; T252-S265 PolarHBondContact O-OG 3.24Å; T252-W269 VanDerWaalsContact C-CH2 3.49Å; T252-W269 WeakPolarHBondContact O-CZ3 3.1Å; T252-V270 HydrophobicContact CG2-CG1 4.26Å; T252-C273 HydrophobicContact CG2-CB 3.86Å; T252-V294 HydrophobicContact CG2-CG1 4.22Å; T252-V294 WeakPolarHBondContact OG1-CG1 3.5Å; T252-G295 WeakPolarHBondContact OG1-CA 3.24Å; T252-G295 PolarHBondContact OG1-N 3.41Å; T252-G295 VanDerWaalsContact OG1-N 3.16Å; T252-G295 PolarHBondContact OG1-O 3.02Å
253Y98.2Very high98.1Very high24 Ų2444 Ų449%0.09422%0.218CC..  trans-147.9-179.9173.342.4-100.6000109.9M251 Y255 N297 Y299 W377M251-Y253 HydrophobicContact CB-CE1 4.37Å; M251-Y253 HydrophobicContact CB-CE2 4.19Å; M251-Y253 PolarHBondContact O-N 2.95Å; Y253-Y255 VanDerWaalsContact C-N 3.27Å; Y253-Y255 PolarHBondContact O-N 2.97Å; Y253-N297 HydrophobicContact CG-CB 4.42Å; Y253-Y299 WeakPolarHBondContact CD2-OH 3.43Å; Y253-W377 HydrophobicContact CE1-CB 3.9Å; Y253-W377 HydrophobicContact CE1-CG 4.5Å
254D97.2Very high98.1Very high89 Ų8938.3 Ų38.348%0.47619%0.187SC..  trans58.136.3-173.6-56-41.1000113.2S256 N264 Y299D254-S256 PolarHBondContact O-N 3.43Å; D254-N264 VanDerWaalsContact CA-OD1 3.29Å; D254-N264 WeakPolarHBondContact CA-OD1 3.37Å; D254-N264 PolarHBondContact N-O 3.25Å; D254-N264 PolarHBondContact N-OD1 3.49Å; D254-Y299 PolarHBondContact OD1-OH 2.87Å; D254-Y299 PolarHBondContact OD2-OH 2.91Å
255Y98.1Very high98.1Very high66 Ų6634.1 Ų34.126%0.25917%0.171SC..  trans-63.5-40.3-180176.7-93.8000112.9Y226 Y253 N264 P266 W269Y226-Y255 WeakPolarHBondContact CA-OH 3.29Å; Y253-Y255 VanDerWaalsContact C-N 3.27Å; Y253-Y255 PolarHBondContact O-N 2.97Å; Y255-N264 VanDerWaalsContact CB-O 3.3Å; Y255-N264 WeakPolarHBondContact CB-O 3.34Å; Y255-N264 PolarHBondContact N-O 3.14Å; Y255-P266 HydrophobicContact CD1-CG 3.47Å; Y255-P266 VanDerWaalsContact CD1-CG 3.47Å; Y255-P266 HydrophobicContact CD2-CG 3.94Å; Y255-P266 HydrophobicContact CE1-CG 3.75Å; Y255-P266 HydrophobicContact CE2-CG 4.18Å; Y255-P266 HydrophobicContact CG-CG 3.58Å; Y255-W269 HydrophobicContact CD2-CB 4.34Å; Y255-W269 AromaticContact CD2-CD1 3.95Å; Y255-W269 AromaticContact CD2-CD2 3.46Å; Y255-W269 HydrophobicContact CD2-CD2 3.46Å; Y255-W269 VanDerWaalsContact CD2-CD2 3.46Å; Y255-W269 AromaticContact CD2-CE2 3.63Å; Y255-W269 AromaticContact CD2-CE3 3.85Å; Y255-W269 HydrophobicContact CD2-CE3 3.85Å; Y255-W269 AromaticContact CD2-CG 3.67Å; Y255-W269 HydrophobicContact CD2-CG 3.67Å; Y255-W269 HydrophobicContact CD2-CH2 4.43Å; Y255-W269 HydrophobicContact CD2-CZ2 4.13Å; Y255-W269 HydrophobicContact CD2-CZ3 4.31Å; Y255-W269 AromaticContact CD2-NE1 3.93Å; Y255-W269 HydrophobicContact CE2-CB 4.14Å; Y255-W269 AromaticContact CE2-CD1 3.78Å; Y255-W269 HydrophobicContact CE2-CD2 4.03Å; Y255-W269 AromaticContact CE2-CG 3.71Å; Y255-W269 HydrophobicContact CE2-CG 3.71Å; Y255-W269 HydrophobicContact CG-CD2 4.35Å; Y255-W269 HydrophobicContact CG-CE3 4.31Å
256S98.1Very high98Very high20 Ų2034.1 Ų34.114%0.1417%0.171CC..SBendtrans-98.3157.5-178.5-92.20000112.2D254 R260 G262 P263 Y303D254-S256 PolarHBondContact O-N 3.43Å; S256-R260 WeakPolarHBondContact CB-O 3.27Å; S256-R260 PolarHBondContact OG-O 2.75Å; S256-G262 WeakPolarHBondContact OG-CA 3.46Å; S256-G262 PolarHBondContact OG-N 3.49Å; S256-P263 WeakPolarHBondContact CB-O 3.44Å; S256-P263 PolarHBondContact OG-O 3.29Å; S256-Y303 WeakPolarHBondContact CB-OH 3.31Å; S256-Y303 PolarHBondContact O-OH 3.13Å
257S96.9Very high98Very high44 Ų4432.9 Ų32.931%0.30816%0.164SC..BIsolated β-bridgetrans-127.3166-179.877.70000111.4H259 R260S257-H259 PolarHBondContact O-N 3.31Å; S257-H259 VanDerWaalsContact O-N 3.09Å; S257-H259 PolarHBondContact OG-N 3.47Å; S257-R260 PolarHBondContact N-O 2.98Å; S257-R260 CarbonylContact O-C 2.86Å; S257-R260 WeakPolarHBondContact O-CA 3.31Å; S257-R260 PolarHBondContact O-N 3.38Å
258P97.7Very high97.9Very high41 Ų4133.3 Ų33.327%0.26618%0.175SC..THydrogen-bonded Turntrans-56.7-25.5176.2-29.537.6000115.3R260 Y303 I308P258-R260 VanDerWaalsContact C-N 3.27Å; P258-Y303 HydrophobicContact CG-CE1 4.45Å; P258-I308 WeakPolarHBondContact CB-O 3.47Å
259H97.2Very high97.8Very high153 Ų15333.7 Ų33.771%0.70818%0.177SC*.THydrogen-bonded Turntrans-76.9-16.7174.4-63.183.1000112.9S257 I308S257-H259 PolarHBondContact O-N 3.31Å; S257-H259 VanDerWaalsContact O-N 3.09Å; S257-H259 PolarHBondContact OG-N 3.47Å; H259-I308 HydrophobicContact CB-CG2 4.34Å
260R96.3Very high97.8Very high91 Ų9133.7 Ų33.734%0.34318%0.177SC..BIsolated β-bridgetrans-144.774.8176.5-113-163-32.7-138.9-9.8110.4E227 S256 S257 P258 G262E227-R260 IonicContact OE1-NH1 2.81Å; E227-R260 PolarHBondContact OE1-NH1 3.05Å; S256-R260 WeakPolarHBondContact CB-O 3.27Å; S256-R260 PolarHBondContact OG-O 2.75Å; S257-R260 PolarHBondContact N-O 2.98Å; S257-R260 CarbonylContact O-C 2.86Å; S257-R260 WeakPolarHBondContact O-CA 3.31Å; S257-R260 PolarHBondContact O-N 3.38Å; P258-R260 VanDerWaalsContact C-N 3.27Å; R260-G262 PolarHBondContact O-N 3.02Å
261P97.6Very high97.8Very high44 Ų4435.7 Ų35.729%0.28619%0.186SC..  trans-51.6131.7173.7-28.438000110.5Y303 P305 L351P261-Y303 HydrophobicContact CB-CD1 4.21Å; P261-Y303 HydrophobicContact CB-CD2 3.72Å; P261-Y303 HydrophobicContact CB-CE2 4.27Å; P261-Y303 HydrophobicContact CB-CG 3.67Å; P261-Y303 HydrophobicContact CG-CD1 4.2Å; P261-Y303 HydrophobicContact CG-CG 4Å; P261-P305 HydrophobicContact CG-CB 4.41Å; P261-P305 HydrophobicContact CG-CG 4.33Å; P261-L351 HydrophobicContact CB-CD2 4.08Å
262G98Very high97.7Very high4 Ų438 Ų384%0.04120%0.196CC..  trans-177.7-174.1-172.800000111.8S256 R260 F353S256-G262 WeakPolarHBondContact OG-CA 3.46Å; S256-G262 PolarHBondContact OG-N 3.49Å; R260-G262 PolarHBondContact O-N 3.02Å; G262-F353 VanDerWaalsContact CA-CE2 3.48Å; G262-F353 WeakPolarHBondContact O-CD2 2.92Å; G262-F353 WeakPolarHBondContact O-CE2 3.33Å; G262-F353 WeakPolarHBondContact O-CG 3.19Å
263P97.7Very high97.7Very high4 Ų438 Ų383%0.02620%0.196CC..  trans-59.9145-178.629.4-38.8000111.6S256 P266 W335 E337 F353S256-P263 WeakPolarHBondContact CB-O 3.44Å; S256-P263 PolarHBondContact OG-O 3.29Å; P263-P266 HydrophobicContact CB-CB 4.26Å; P263-P266 HydrophobicContact CB-CG 4.29Å; P263-P266 HydrophobicContact CG-CB 3.89Å; P263-P266 HydrophobicContact CG-CG 3.74Å; P263-W335 HydrophobicContact CB-CB 3.92Å; P263-W335 HydrophobicContact CB-CD2 3.97Å; P263-W335 HydrophobicContact CB-CE3 4.01Å; P263-W335 HydrophobicContact CB-CG 3.96Å; P263-W335 HydrophobicContact CG-CB 4.19Å; P263-W335 HydrophobicContact CG-CD2 3.55Å; P263-W335 HydrophobicContact CG-CE3 3.88Å; P263-W335 HydrophobicContact CG-CG 3.69Å; P263-W335 HydrophobicContact CG-CZ2 4.44Å; P263-W335 HydrophobicContact CG-CZ3 4.47Å; P263-E337 WeakPolarHBondContact CA-OE2 3.33Å; P263-E337 VanDerWaalsContact CB-OE2 3.28Å; P263-E337 WeakPolarHBondContact CB-OE2 3.25Å; P263-F353 HydrophobicContact CB-CD1 4.39Å
264N98.2Very high97.8Very high0 Ų036.8 Ų36.80%019%0.192CC..SBendtrans-74.3-37.8178.2-167.812000111.4D254 Y255 N297 Y299 M301 E337D254-N264 VanDerWaalsContact CA-OD1 3.29Å; D254-N264 WeakPolarHBondContact CA-OD1 3.37Å; D254-N264 PolarHBondContact N-O 3.25Å; D254-N264 PolarHBondContact N-OD1 3.49Å; Y255-N264 VanDerWaalsContact CB-O 3.3Å; Y255-N264 WeakPolarHBondContact CB-O 3.34Å; Y255-N264 PolarHBondContact N-O 3.14Å; N264-N297 PolarHBondContact ND2-ND2 3.1Å; N264-N297 VanDerWaalsContact ND2-ND2 3.16Å; N264-Y299 WeakPolarHBondContact ND2-CE2 3.44Å; N264-Y299 PolarHBondContact ND2-O 2.95Å; N264-M301 HydrophobicContact CB-CG 4.27Å; N264-E337 WeakPolarHBondContact CB-OE1 3.23Å; N264-E337 PolarHBondContact N-OE1 2.83Å; N264-E337 PolarHBondContact N-OE2 2.58Å
265S98Very high97.8Very high0 Ų034.2 Ų34.20%018%0.178CC..SBendtrans-145.269.4-175-178.20000111.5T252 L267 V270 N297 E337 R363T252-S265 WeakPolarHBondContact O-CB 3.35Å; T252-S265 PolarHBondContact O-OG 3.24Å; S265-L267 PolarHBondContact O-N 3.4Å; S265-V270 VanDerWaalsContact OG-CG2 3.26Å; S265-V270 WeakPolarHBondContact OG-CG2 3.45Å; S265-N297 WeakPolarHBondContact CB-OD1 3.4Å; S265-E337 PolarHBondContact N-OE2 3.46Å; S265-R363 PolarHBondContact O-NE 2.83Å; S265-R363 PolarHBondContact O-NH2 3.02Å
266P98Very high97.8Very high3 Ų334.1 Ų34.12%0.01918%0.177CC..  trans-58.8127.5-176.413.2-20.9000112.5Y255 P263 S268 W269 V270 W335Y255-P266 HydrophobicContact CD1-CG 3.47Å; Y255-P266 VanDerWaalsContact CD1-CG 3.47Å; Y255-P266 HydrophobicContact CD2-CG 3.94Å; Y255-P266 HydrophobicContact CE1-CG 3.75Å; Y255-P266 HydrophobicContact CE2-CG 4.18Å; Y255-P266 HydrophobicContact CG-CG 3.58Å; P263-P266 HydrophobicContact CB-CB 4.26Å; P263-P266 HydrophobicContact CB-CG 4.29Å; P263-P266 HydrophobicContact CG-CB 3.89Å; P263-P266 HydrophobicContact CG-CG 3.74Å; P266-S268 VanDerWaalsContact C-N 3.34Å; P266-S268 PolarHBondContact O-N 3.39Å; P266-W269 HydrophobicContact CB-CB 4.48Å; P266-W269 HydrophobicContact CG-CB 4.11Å; P266-W269 HydrophobicContact CG-CE3 4.39Å; P266-W269 WeakPolarHBondContact O-CA 3.37Å; P266-W269 WeakPolarHBondContact O-CB 3.46Å; P266-W269 PolarHBondContact O-N 2.98Å; P266-V270 PolarHBondContact O-N 3.31Å; P266-V270 VanDerWaalsContact O-N 3.1Å; P266-W335 HydrophobicContact CB-CB 4.18Å; P266-W335 HydrophobicContact CB-CG 4.17Å
267L98Very high97.8Very high23 Ų2333.2 Ų33.212%0.1217%0.171CC..Hα-helixtrans-58-38.8-169.2-172.361.6000114.8S265 W269 V270 E271 W335 A336 Q362 R363 T366S265-L267 PolarHBondContact O-N 3.4Å; L267-W269 VanDerWaalsContact C-N 3.27Å; L267-W269 PolarHBondContact O-N 2.77Å; L267-V270 PolarHBondContact O-N 2.84Å; L267-E271 PolarHBondContact O-N 2.96Å; L267-W335 PolarHBondContact N-O 2.9Å; L267-A336 HydrophobicContact CB-CB 3.81Å; L267-A336 HydrophobicContact CD2-CB 3.68Å; L267-A336 HydrophobicContact CG-CB 4.33Å; L267-Q362 HydrophobicContact CD2-CB 4.38Å; L267-R363 HydrophobicContact CD1-CB 4.39Å; L267-R363 HydrophobicContact CD1-CG 3.71Å; L267-T366 HydrophobicContact CD1-CG2 3.95Å; L267-T366 HydrophobicContact CG-CG2 4.37Å
268S96.6Very high97.9Very high64 Ų6431.1 Ų31.145%0.44816%0.156SC..Hα-helixtrans-63.4-34.8176.860.60000112.5P266 E272P266-S268 VanDerWaalsContact C-N 3.34Å; P266-S268 PolarHBondContact O-N 3.39Å; S268-E272 WeakPolarHBondContact O-CB 3.42Å; S268-E272 PolarHBondContact O-N 3.16Å
269W98.1Very high97.9Very high8 Ų831 Ų313%0.0316%0.155CC..Hα-helixtrans-72.8-38.9176.8165.671.9000111.5P222 V224 T252 Y255 P266 L267 E271 E272 C273P222-W269 HydrophobicContact CB-CZ2 3.77Å; P222-W269 HydrophobicContact CG-CH2 4.06Å; P222-W269 HydrophobicContact CG-CZ2 3.6Å; V224-W269 PolarHBondContact O-NE1 2.83Å; T252-W269 VanDerWaalsContact C-CH2 3.49Å; T252-W269 WeakPolarHBondContact O-CZ3 3.1Å; Y255-W269 HydrophobicContact CD2-CB 4.34Å; Y255-W269 AromaticContact CD2-CD1 3.95Å; Y255-W269 AromaticContact CD2-CD2 3.46Å; Y255-W269 HydrophobicContact CD2-CD2 3.46Å; Y255-W269 VanDerWaalsContact CD2-CD2 3.46Å; Y255-W269 AromaticContact CD2-CE2 3.63Å; Y255-W269 AromaticContact CD2-CE3 3.85Å; Y255-W269 HydrophobicContact CD2-CE3 3.85Å; Y255-W269 AromaticContact CD2-CG 3.67Å; Y255-W269 HydrophobicContact CD2-CG 3.67Å; Y255-W269 HydrophobicContact CD2-CH2 4.43Å; Y255-W269 HydrophobicContact CD2-CZ2 4.13Å; Y255-W269 HydrophobicContact CD2-CZ3 4.31Å; Y255-W269 AromaticContact CD2-NE1 3.93Å; Y255-W269 HydrophobicContact CE2-CB 4.14Å; Y255-W269 AromaticContact CE2-CD1 3.78Å; Y255-W269 HydrophobicContact CE2-CD2 4.03Å; Y255-W269 AromaticContact CE2-CG 3.71Å; Y255-W269 HydrophobicContact CE2-CG 3.71Å; Y255-W269 HydrophobicContact CG-CD2 4.35Å; Y255-W269 HydrophobicContact CG-CE3 4.31Å; P266-W269 HydrophobicContact CB-CB 4.48Å; P266-W269 HydrophobicContact CG-CB 4.11Å; P266-W269 HydrophobicContact CG-CE3 4.39Å; P266-W269 WeakPolarHBondContact O-CA 3.37Å; P266-W269 WeakPolarHBondContact O-CB 3.46Å; P266-W269 PolarHBondContact O-N 2.98Å; L267-W269 VanDerWaalsContact C-N 3.27Å; L267-W269 PolarHBondContact O-N 2.77Å; W269-E271 VanDerWaalsContact C-N 3.32Å; W269-E271 PolarHBondContact O-N 3.42Å; W269-E272 PolarHBondContact O-N 2.93Å; W269-C273 PolarHBondContact NE1-SG 3.28Å; W269-C273 PolarHBondContact O-N 3.16Å; W269-C273 PolarHBondContact O-SG 3.05Å
270V98.4Very high97.8Very high1 Ų129.5 Ų29.51%0.00615%0.147CC..Hα-helixtrans-57.6-46.7171.9-1790000110.6T252 S265 P266 L267 E272 C273 I274 V294 I367T252-V270 HydrophobicContact CG2-CG1 4.26Å; S265-V270 VanDerWaalsContact OG-CG2 3.26Å; S265-V270 WeakPolarHBondContact OG-CG2 3.45Å; P266-V270 PolarHBondContact O-N 3.31Å; P266-V270 VanDerWaalsContact O-N 3.1Å; L267-V270 PolarHBondContact O-N 2.84Å; V270-E272 PolarHBondContact O-N 3.33Å; V270-C273 PolarHBondContact O-N 2.79Å; V270-I274 WeakPolarHBondContact O-CG1 3.46Å; V270-I274 PolarHBondContact O-N 3.35Å; V270-V294 HydrophobicContact CG1-CG1 3.51Å; V270-I367 HydrophobicContact CG1-CG1 4.39Å
271E97.7Very high97.7Very high42 Ų4232.7 Ų32.720%0.19617%0.171CC..Hα-helixtrans-63.5-40.1176.2174165.9-164.700112.3L267 W269 C273 I274 N275 K280 T366 R370L267-E271 PolarHBondContact O-N 2.96Å; W269-E271 VanDerWaalsContact C-N 3.32Å; W269-E271 PolarHBondContact O-N 3.42Å; E271-C273 VanDerWaalsContact C-N 3.34Å; E271-I274 PolarHBondContact O-N 2.89Å; E271-N275 VanDerWaalsContact CG-ND2 3.31Å; E271-N275 WeakPolarHBondContact CG-ND2 3.17Å; E271-N275 PolarHBondContact O-N 3.07Å; E271-N275 PolarHBondContact O-ND2 2.57Å; E271-N275 VanDerWaalsContact O-ND2 3.14Å; E271-K280 IonicContact OE1-NZ 3.98Å; E271-T366 HydrophobicContact CB-CG2 4.48Å; E271-R370 IonicContact OE1-CZ 2.91Å; E271-R370 IonicContact OE1-NE 3.18Å; E271-R370 PolarHBondContact OE1-NE 3.19Å; E271-R370 IonicContact OE1-NH2 3.32Å; E271-R370 PolarHBondContact OE1-NH2 3.01Å; E271-R370 IonicContact OE2-CZ 3.59Å; E271-R370 IonicContact OE2-NH2 3.23Å; E271-R370 PolarHBondContact OE2-NH2 2.86Å; E271-R370 VanDerWaalsContact OE2-NH2 3.1Å
272E97.9Very high97.6Very high76 Ų7631.6 Ų31.636%0.35516%0.164SC..Hα-helixtrans-61.1-44175.8-170.1178.9167.200111.4V224 S268 W269 V270 I274 N275 R276V224-E272 HydrophobicContact CG1-CG 4.12Å; S268-E272 WeakPolarHBondContact O-CB 3.42Å; S268-E272 PolarHBondContact O-N 3.16Å; W269-E272 PolarHBondContact O-N 2.93Å; V270-E272 PolarHBondContact O-N 3.33Å; E272-I274 VanDerWaalsContact C-N 3.32Å; E272-I274 PolarHBondContact O-N 3.37Å; E272-N275 CarbonylContact O-C 3.57Å; E272-N275 PolarHBondContact O-N 3.5Å; E272-N275 VanDerWaalsContact O-N 3.13Å; E272-R276 HydrophobicContact CG-CG 4.28Å; E272-R276 WeakPolarHBondContact O-CG 3.49Å; E272-R276 PolarHBondContact O-N 3.45Å; E272-R276 IonicContact OE1-CZ 2.69Å; E272-R276 VanDerWaalsContact OE1-CZ 3.23Å; E272-R276 IonicContact OE1-NE 3.1Å; E272-R276 PolarHBondContact OE1-NE 3.43Å; E272-R276 IonicContact OE1-NH2 3.27Å; E272-R276 PolarHBondContact OE1-NH2 2.78Å
273C98.6Very high97.5Very high0 Ų038.2 Ų38.20%020%0.198CC..Hα-helixtrans-57.2-45.1176.7-68.10000111.9P223 L250 T252 W269 V270 E271 N275 R276 L277P223-C273 HydrophobicContact CG-CB 4.09Å; P223-C273 WeakPolarHBondContact CG-O 3.4Å; L250-C273 HydrophobicContact CD2-CB 4.1Å; T252-C273 HydrophobicContact CG2-CB 3.86Å; W269-C273 PolarHBondContact NE1-SG 3.28Å; W269-C273 PolarHBondContact O-N 3.16Å; W269-C273 PolarHBondContact O-SG 3.05Å; V270-C273 PolarHBondContact O-N 2.79Å; E271-C273 VanDerWaalsContact C-N 3.34Å; C273-N275 PolarHBondContact O-N 2.87Å; C273-R276 PolarHBondContact O-N 3.36Å; C273-L277 PolarHBondContact O-N 2.94Å
274I98.6Very high97.4Very high0 Ų042.7 Ų42.70%022%0.222CC..Hα-helixtrans-61.3-46.5176.4-62.3164.9000110.7V270 E271 E272 R276 L277 V278 V294 R370 T372V270-I274 WeakPolarHBondContact O-CG1 3.46Å; V270-I274 PolarHBondContact O-N 3.35Å; E271-I274 PolarHBondContact O-N 2.89Å; E272-I274 VanDerWaalsContact C-N 3.32Å; E272-I274 PolarHBondContact O-N 3.37Å; I274-R276 VanDerWaalsContact C-N 3.34Å; I274-R276 PolarHBondContact O-N 3.5Å; I274-L277 PolarHBondContact O-N 2.82Å; I274-V278 PolarHBondContact O-N 2.94Å; I274-V294 HydrophobicContact CD1-CG1 4.48Å; I274-V294 HydrophobicContact CD1-CG2 3.76Å; I274-V294 HydrophobicContact CG1-CG2 3.79Å; I274-R370 HydrophobicContact CD1-CB 4.42Å; I274-R370 HydrophobicContact CD1-CG 4.41Å; I274-R370 HydrophobicContact CG2-CB 4.26Å; I274-T372 HydrophobicContact CD1-CG2 4.46Å; I274-T372 HydrophobicContact CG2-CG2 3.88Å
275N98.3Very high97.4Very high35 Ų3545.4 Ų45.419%0.18723%0.234CC..Hα-helixtrans-72-25.6-176.6-69.6-40.4000113E271 E272 C273 V278 P279 R289E271-N275 VanDerWaalsContact CG-ND2 3.31Å; E271-N275 WeakPolarHBondContact CG-ND2 3.17Å; E271-N275 PolarHBondContact O-N 3.07Å; E271-N275 PolarHBondContact O-ND2 2.57Å; E271-N275 VanDerWaalsContact O-ND2 3.14Å; E272-N275 CarbonylContact O-C 3.57Å; E272-N275 PolarHBondContact O-N 3.5Å; E272-N275 VanDerWaalsContact O-N 3.13Å; C273-N275 PolarHBondContact O-N 2.87Å; N275-V278 CarbonylContact O-C 3.59Å; N275-P279 WeakPolarHBondContact O-CA 3.33Å; N275-P279 WeakPolarHBondContact O-CD 3.45Å; N275-P279 VanDerWaalsContact O-N 3.07Å; N275-R289 PolarHBondContact OD1-NH2 3.32Å
276R98.3Very high97.3Very high64 Ų6448 Ų4824%0.24226%0.256CS..Hα-helixtrans-74.5-31173.3-76-167.6-175.7-149.9-1.9113P223 V224 E230 E235 E272 C273 I274P223-R276 HydrophobicContact CB-CB 4.01Å; P223-R276 HydrophobicContact CG-CB 3.76Å; V224-R276 VanDerWaalsContact CB-CZ 3.46Å; E230-R276 IonicContact OE1-CZ 2.81Å; E230-R276 IonicContact OE1-NH1 3.77Å; E230-R276 PolarHBondContact OE1-NH1 3.27Å; E230-R276 IonicContact OE1-NH2 2.92Å; E230-R276 IonicContact OE2-NH1 3.73Å; E230-R276 PolarHBondContact OE2-NH1 2.68Å; E235-R276 WeakPolarHBondContact CB-O 3.34Å; E272-R276 HydrophobicContact CG-CG 4.28Å; E272-R276 WeakPolarHBondContact O-CG 3.49Å; E272-R276 PolarHBondContact O-N 3.45Å; E272-R276 IonicContact OE1-CZ 2.69Å; E272-R276 VanDerWaalsContact OE1-CZ 3.23Å; E272-R276 IonicContact OE1-NE 3.1Å; E272-R276 PolarHBondContact OE1-NE 3.43Å; E272-R276 IonicContact OE1-NH2 3.27Å; E272-R276 PolarHBondContact OE1-NH2 2.78Å; C273-R276 PolarHBondContact O-N 3.36Å; I274-R276 VanDerWaalsContact C-N 3.34Å; I274-R276 PolarHBondContact O-N 3.5Å
277L98.5Very high97.3Very high0 Ų052.8 Ų52.80%028%0.276CS..Hα-helixtrans-80.2-40.2174.2-62.5-179.8000112I220 P223 F233 F238 L250 C273 I274 I292I220-L277 HydrophobicContact CD1-CD1 3.66Å; P223-L277 HydrophobicContact CB-CD2 3.93Å; P223-L277 HydrophobicContact CB-CG 4.46Å; P223-L277 HydrophobicContact CG-CD2 4.08Å; P223-L277 HydrophobicContact CG-CG 4.07Å; F233-L277 HydrophobicContact CD1-CD2 3.69Å; F233-L277 HydrophobicContact CE1-CD2 3.92Å; F238-L277 HydrophobicContact CB-CD2 4.36Å; F238-L277 HydrophobicContact CD2-CB 4.31Å; F238-L277 HydrophobicContact CD2-CD1 4.39Å; F238-L277 HydrophobicContact CG-CB 4.33Å; L250-L277 HydrophobicContact CD1-CD1 4.03Å; L250-L277 HydrophobicContact CD2-CD1 4.09Å; C273-L277 PolarHBondContact O-N 2.94Å; I274-L277 PolarHBondContact O-N 2.82Å; L277-I292 HydrophobicContact CB-CD1 4.06Å; L277-I292 HydrophobicContact CD1-CD1 4.26Å
278V98.5Very high97.3Very high0 Ų052.2 Ų52.20%027%0.273CS..SBendtrans-136.989.8178.3-172.10000109.6F238 I274 N275 Q285 L288 R289 I292F238-V278 HydrophobicContact CD1-CG2 4.01Å; F238-V278 HydrophobicContact CE1-CG2 3.47Å; F238-V278 VanDerWaalsContact CE1-CG2 3.47Å; F238-V278 HydrophobicContact CZ-CG2 3.91Å; I274-V278 PolarHBondContact O-N 2.94Å; N275-V278 CarbonylContact O-C 3.59Å; V278-Q285 HydrophobicContact CG1-CB 4.35Å; V278-Q285 HydrophobicContact CG1-CG 3.95Å; V278-L288 HydrophobicContact CG1-CB 4.03Å; V278-L288 HydrophobicContact CG1-CD1 4.32Å; V278-L288 HydrophobicContact CG2-CB 3.79Å; V278-R289 HydrophobicContact CB-CG 3.9Å; V278-R289 HydrophobicContact CG1-CG 3.83Å; V278-R289 HydrophobicContact CG2-CG 4.33Å; V278-R289 PolarHBondContact O-NE 2.99Å; V278-R289 PolarHBondContact O-NH2 2.97Å; V278-I292 HydrophobicContact CG2-CD1 3.77Å
279P97.8Very high97.4Very high39 Ų3949.7 Ų49.725%0.25325%0.254SS..  trans-51.8152.9176.9-28.634.2000113.3E235 N275 N281 S282 Q285E235-P279 WeakPolarHBondContact OE2-CG 3.32Å; N275-P279 WeakPolarHBondContact O-CA 3.33Å; N275-P279 WeakPolarHBondContact O-CD 3.45Å; N275-P279 VanDerWaalsContact O-N 3.07Å; P279-N281 PolarHBondContact O-N 3.31Å; P279-S282 WeakPolarHBondContact CD-OG 3.36Å; P279-S282 WeakPolarHBondContact O-CB 3.38Å; P279-S282 PolarHBondContact O-N 3.39Å; P279-S282 PolarHBondContact O-OG 3.01Å; P279-S282 VanDerWaalsContact O-OG 3.05Å; P279-Q285 PolarHBondContact O-OE1 3.13Å
280K95.2Very high97.4Very high122 Ų12257.3 Ų57.353%0.5328%0.283SS..THydrogen-bonded Turntrans-59.5137.2173.2-67.3179.6-177.5173.10109E271 S282E271-K280 IonicContact OE1-NZ 3.98Å; K280-S282 VanDerWaalsContact C-N 3.25Å; K280-S282 PolarHBondContact O-N 2.76Å
281N94.5Very high97.5Very high158 Ų15858.4 Ų58.485%0.84529%0.288SS*.THydrogen-bonded Turntrans6716.1-178.4-44.5-46000115P279P279-N281 PolarHBondContact O-N 3.31Å
282S95.1Very high97.5Very high21 Ų2156.4 Ų56.415%0.14728%0.278CS..  trans-57.5148.4168.5-73.40000112.1R239 P279 K280 N284 Q285R239-S282 PolarHBondContact NH2-OG 3.49Å; P279-S282 WeakPolarHBondContact CD-OG 3.36Å; P279-S282 WeakPolarHBondContact O-CB 3.38Å; P279-S282 PolarHBondContact O-N 3.39Å; P279-S282 PolarHBondContact O-OG 3.01Å; P279-S282 VanDerWaalsContact O-OG 3.05Å; K280-S282 VanDerWaalsContact C-N 3.25Å; K280-S282 PolarHBondContact O-N 2.76Å; S282-N284 PolarHBondContact O-N 3.24Å; S282-Q285 WeakPolarHBondContact O-CB 3.37Å; S282-Q285 PolarHBondContact O-N 2.99Å; S282-Q285 VanDerWaalsContact O-N 3.15Å
283L95Very high97.6Very high142 Ų14252.8 Ų52.874%0.74326%0.262SS*.THydrogen-bonded Turntrans-55.3137.5165.7-176.265.3000109.6Q285L283-Q285 PolarHBondContact O-N 3.29Å; L283-Q285 VanDerWaalsContact O-N 3.12Å
284N95.8Very high97.6Very high99 Ų9952.8 Ų52.853%0.52926%0.262SS..THydrogen-bonded Turntrans57.122.1-178.6-60.7-34.1000114.9S282 A286 K287 L288S282-N284 PolarHBondContact O-N 3.24Å; N284-A286 PolarHBondContact O-N 2.92Å; N284-K287 HydrophobicContact CB-CB 4.37Å; N284-K287 WeakPolarHBondContact O-CB 3.5Å; N284-K287 PolarHBondContact O-N 3Å; N284-L288 HydrophobicContact CB-CD1 4.45Å; N284-L288 HydrophobicContact CB-CG 4.35Å; N284-L288 WeakPolarHBondContact O-CG 3.34Å; N284-L288 PolarHBondContact O-N 3.3Å
285Q97.7Very high97.6Very high56 Ų5652.8 Ų52.826%0.26226%0.262SS..Hα-helixtrans-46-45.3-178.2-176.8-167.3-85.200112.9V278 P279 S282 L283 K287 L288 R289V278-Q285 HydrophobicContact CG1-CB 4.35Å; V278-Q285 HydrophobicContact CG1-CG 3.95Å; P279-Q285 PolarHBondContact O-OE1 3.13Å; S282-Q285 WeakPolarHBondContact O-CB 3.37Å; S282-Q285 PolarHBondContact O-N 2.99Å; S282-Q285 VanDerWaalsContact O-N 3.15Å; L283-Q285 PolarHBondContact O-N 3.29Å; L283-Q285 VanDerWaalsContact O-N 3.12Å; Q285-K287 VanDerWaalsContact C-N 3.35Å; Q285-K287 PolarHBondContact O-N 2.92Å; Q285-L288 PolarHBondContact O-N 3.01Å; Q285-R289 HydrophobicContact CG-CG 4.08Å; Q285-R289 WeakPolarHBondContact O-CB 3.36Å; Q285-R289 VanDerWaalsContact O-CG 3.32Å; Q285-R289 WeakPolarHBondContact O-CG 3.13Å; Q285-R289 PolarHBondContact O-N 2.96Å
286A97.6Very high97.6Very high56 Ų5651.1 Ų51.146%0.46325%0.253SS..Hα-helixtrans-68.8-28.1-178.100000113.9N284 R290N284-A286 PolarHBondContact O-N 2.92Å; A286-R290 WeakPolarHBondContact O-CD 3.39Å; A286-R290 VanDerWaalsContact O-CG 3.26Å; A286-R290 WeakPolarHBondContact O-CG 2.89Å; A286-R290 PolarHBondContact O-NE 3.36Å
287K97.5Very high97.6Very high102 Ų10248 Ų4844%0.44324%0.241SC..Hα-helixtrans-72.8-55171.3176.2-167.9169.4-166.80108.7D243 N284 Q285 R289 R290D243-K287 IonicContact OD1-NZ 2.88Å; D243-K287 PolarHBondContact OD1-NZ 2.77Å; N284-K287 HydrophobicContact CB-CB 4.37Å; N284-K287 WeakPolarHBondContact O-CB 3.5Å; N284-K287 PolarHBondContact O-N 3Å; Q285-K287 VanDerWaalsContact C-N 3.35Å; Q285-K287 PolarHBondContact O-N 2.92Å; K287-R289 PolarHBondContact O-N 2.8Å; K287-R290 PolarHBondContact O-N 3.43Å
288L98.5Very high97.6Very high12 Ų1248 Ų486%0.06324%0.241CC..Hα-helixtrans-59.9-44.4-174.3-66.4176.9000112.5F238 A242 V278 N284 Q285 R290 Q291F238-L288 HydrophobicContact CE1-CB 3.97Å; F238-L288 HydrophobicContact CE1-CD2 3.98Å; F238-L288 HydrophobicContact CE1-CG 4.38Å; F238-L288 HydrophobicContact CZ-CB 4.46Å; A242-L288 HydrophobicContact CB-CD2 3.68Å; V278-L288 HydrophobicContact CG1-CB 4.03Å; V278-L288 HydrophobicContact CG1-CD1 4.32Å; V278-L288 HydrophobicContact CG2-CB 3.79Å; N284-L288 HydrophobicContact CB-CD1 4.45Å; N284-L288 HydrophobicContact CB-CG 4.35Å; N284-L288 WeakPolarHBondContact O-CG 3.34Å; N284-L288 PolarHBondContact O-N 3.3Å; Q285-L288 PolarHBondContact O-N 3.01Å; L288-R290 VanDerWaalsContact C-N 3.34Å; L288-R290 PolarHBondContact O-N 3.18Å; L288-Q291 WeakPolarHBondContact O-CB 3.19Å; L288-Q291 PolarHBondContact O-N 2.73Å
289R98.5Very high97.6Very high10 Ų1048.4 Ų48.44%0.03824%0.242CC..Hα-helixtrans-66.7-31.9179.4-70.9-168.3-178.8-169.8-10.4113.3N275 V278 Q285 K287 Q291 I292 R370 G371 T372N275-R289 PolarHBondContact OD1-NH2 3.32Å; V278-R289 HydrophobicContact CB-CG 3.9Å; V278-R289 HydrophobicContact CG1-CG 3.83Å; V278-R289 HydrophobicContact CG2-CG 4.33Å; V278-R289 PolarHBondContact O-NE 2.99Å; V278-R289 PolarHBondContact O-NH2 2.97Å; Q285-R289 HydrophobicContact CG-CG 4.08Å; Q285-R289 WeakPolarHBondContact O-CB 3.36Å; Q285-R289 VanDerWaalsContact O-CG 3.32Å; Q285-R289 WeakPolarHBondContact O-CG 3.13Å; Q285-R289 PolarHBondContact O-N 2.96Å; K287-R289 PolarHBondContact O-N 2.8Å; R289-Q291 PolarHBondContact O-N 3.33Å; R289-I292 PolarHBondContact O-N 3.19Å; R289-R370 WeakPolarHBondContact CD-O 3.5Å; R289-R370 PolarHBondContact NH1-O 3.22Å; R289-G371 CarbonylContact C-O 3.59Å; R289-T372 HydrophobicContact CB-CG2 3.94Å; R289-T372 HydrophobicContact CG-CG2 4.43Å; R289-T372 VanDerWaalsContact O-CA 3.32Å; R289-T372 WeakPolarHBondContact O-CA 3.43Å; R289-T372 WeakPolarHBondContact O-CG2 3.4Å
290R98.3Very high97.6Very high168 Ų16846.5 Ų46.563%0.63423%0.23SC*.Hα-helixtrans-66-23.5176.3-73.9179-139.4-1188.2113.1A286 K287 L288 I292 G371A286-R290 WeakPolarHBondContact O-CD 3.39Å; A286-R290 VanDerWaalsContact O-CG 3.26Å; A286-R290 WeakPolarHBondContact O-CG 2.89Å; A286-R290 PolarHBondContact O-NE 3.36Å; K287-R290 PolarHBondContact O-N 3.43Å; L288-R290 VanDerWaalsContact C-N 3.34Å; L288-R290 PolarHBondContact O-N 3.18Å; R290-I292 VanDerWaalsContact C-N 3.31Å; R290-G371 PolarHBondContact N-O 3.01Å
291Q98.5Very high97.8Very high24 Ų2441.4 Ų41.411%0.11221%0.209CC..Hα-helixtrans-77.3-19.2175-62.1175.9-77.900111.8A242 V245 Y247 F248 L288 R289 L293A242-Q291 PolarHBondContact O-NE2 3.49Å; V245-Q291 PolarHBondContact O-NE2 3.07Å; Y247-Q291 CarbonylContact C-O 3.54Å; Y247-Q291 VanDerWaalsContact CA-O 3.25Å; Y247-Q291 WeakPolarHBondContact CA-O 3.35Å; F248-Q291 HydrophobicContact CD2-CB 4.23Å; F248-Q291 PolarHBondContact N-O 2.92Å; L288-Q291 WeakPolarHBondContact O-CB 3.19Å; L288-Q291 PolarHBondContact O-N 2.73Å; R289-Q291 PolarHBondContact O-N 3.33Å; Q291-L293 PolarHBondContact O-N 3.44Å
292I98.9Very high98Very high0 Ų034.3 Ų34.30%017%0.17CC..EExtended strand (participates in β ladder)trans-82.9119.1177.9-57.7171.8000109.1F238 L250 L277 V278 R289 R290 V294 T372 G373F238-I292 HydrophobicContact CE2-CD1 4.01Å; F238-I292 HydrophobicContact CE2-CG1 3.62Å; F238-I292 HydrophobicContact CZ-CD1 4Å; F238-I292 HydrophobicContact CZ-CG1 3.77Å; L250-I292 HydrophobicContact CB-CG2 4.22Å; L250-I292 HydrophobicContact CD2-CG2 4.07Å; L277-I292 HydrophobicContact CB-CD1 4.06Å; L277-I292 HydrophobicContact CD1-CD1 4.26Å; V278-I292 HydrophobicContact CG2-CD1 3.77Å; R289-I292 PolarHBondContact O-N 3.19Å; R290-I292 VanDerWaalsContact C-N 3.31Å; I292-V294 HydrophobicContact CG2-CG2 3.84Å; I292-T372 HydrophobicContact CB-CG2 4.17Å; I292-T372 HydrophobicContact CG2-CG2 4.5Å; I292-T372 WeakPolarHBondContact O-CB 3.33Å; I292-G373 PolarHBondContact O-N 2.76Å
293L98.9Very high98.2Very high0 Ų033.3 Ų33.30%016%0.163CC..EExtended strand (participates in β ladder)trans-99.9105.6167.4-52-177.1000107.7T74 L76 L99 Y247 F248 L250 Q291 S375T74-L293 HydrophobicContact CG2-CD1 4.38Å; T74-L293 HydrophobicContact CG2-CD2 3.75Å; L76-L293 HydrophobicContact CB-CD1 3.66Å; L76-L293 HydrophobicContact CD2-CD1 3.9Å; L76-L293 HydrophobicContact CG-CD1 4.43Å; L99-L293 HydrophobicContact CD1-CD1 4.09Å; Y247-L293 HydrophobicContact CD1-CD1 4.08Å; Y247-L293 HydrophobicContact CD1-CD2 3.74Å; Y247-L293 HydrophobicContact CD1-CG 3.95Å; Y247-L293 HydrophobicContact CE1-CD2 4.31Å; Y247-L293 HydrophobicContact CG-CD1 3.91Å; Y247-L293 HydrophobicContact CG-CD2 4.42Å; Y247-L293 HydrophobicContact CG-CG 4.19Å; F248-L293 PolarHBondContact O-N 3.02Å; L250-L293 PolarHBondContact N-O 3Å; Q291-L293 PolarHBondContact O-N 3.44Å; L293-S375 PolarHBondContact O-OG 3.29Å
294V98.9Very high98.3Very high0 Ų027.7 Ų27.70%013%0.134CC..EExtended strand (participates in β ladder)trans-79130.8-174.1-176.30000110.1T252 V270 I274 I292 L296 I367 T372 G373 V374 S375T252-V294 HydrophobicContact CG2-CG1 4.22Å; T252-V294 WeakPolarHBondContact OG1-CG1 3.5Å; V270-V294 HydrophobicContact CG1-CG1 3.51Å; I274-V294 HydrophobicContact CD1-CG1 4.48Å; I274-V294 HydrophobicContact CD1-CG2 3.76Å; I274-V294 HydrophobicContact CG1-CG2 3.79Å; I292-V294 HydrophobicContact CG2-CG2 3.84Å; V294-L296 PolarHBondContact O-N 2.73Å; V294-I367 HydrophobicContact CB-CD1 3.92Å; V294-I367 HydrophobicContact CB-CG1 3.95Å; V294-I367 HydrophobicContact CB-CG2 3.87Å; V294-I367 HydrophobicContact CG1-CD1 3.74Å; V294-I367 HydrophobicContact CG1-CG1 3.82Å; V294-I367 HydrophobicContact CG2-CG1 4.38Å; V294-I367 HydrophobicContact CG2-CG2 3.95Å; V294-T372 HydrophobicContact CG2-CG2 4.28Å; V294-T372 WeakPolarHBondContact CG2-OG1 3.37Å; V294-G373 PolarHBondContact N-O 3.2Å; V294-V374 WeakPolarHBondContact O-CA 3.41Å; V294-S375 PolarHBondContact O-N 3.3Å
295G98.7Very high98.4Very high0 Ų025.7 Ų25.70%013%0.126CC..EExtended strand (participates in β ladder)trans-59.4126.5179.300000112.8L250 T252 S375L250-G295 WeakPolarHBondContact O-CA 3.39Å; L250-G295 PolarHBondContact O-N 3.04Å; T252-G295 WeakPolarHBondContact OG1-CA 3.24Å; T252-G295 PolarHBondContact OG1-N 3.41Å; T252-G295 VanDerWaalsContact OG1-N 3.16Å; T252-G295 PolarHBondContact OG1-O 3.02Å; G295-S375 CarbonylContact C-O 3.6Å; G295-S375 WeakPolarHBondContact CA-O 3.4Å; G295-S375 WeakPolarHBondContact CA-OG 3.07Å; G295-S375 PolarHBondContact N-OG 3.41Å
296L98.5Very high98.4Very high0 Ų031.1 Ų31.10%015%0.149CC..EExtended strand (participates in β ladder)trans-123.5108175.1-174.561.9000108.9V294 F298 I360 R363 L364 V374 S375 I376 W377 F390V294-L296 PolarHBondContact O-N 2.73Å; L296-F298 HydrophobicContact CD2-CE1 3.9Å; L296-F298 HydrophobicContact CG-CD1 4.33Å; L296-F298 HydrophobicContact CG-CE1 4.06Å; L296-F298 PolarHBondContact O-N 2.97Å; L296-I360 HydrophobicContact CD1-CD1 3.78Å; L296-I360 HydrophobicContact CD2-CD1 4.35Å; L296-I360 HydrophobicContact CD2-CG2 4.23Å; L296-I360 HydrophobicContact CG-CD1 4.03Å; L296-R363 HydrophobicContact CD1-CB 3.81Å; L296-R363 HydrophobicContact CD1-CG 4.37Å; L296-L364 HydrophobicContact CD2-CD2 3.87Å; L296-L364 HydrophobicContact CD2-CG 4.19Å; L296-V374 HydrophobicContact CB-CG1 3.81Å; L296-V374 HydrophobicContact CD2-CG1 3.87Å; L296-S375 PolarHBondContact N-O 3.48Å; L296-I376 WeakPolarHBondContact O-CA 3.21Å; L296-W377 PolarHBondContact O-N 2.89Å; L296-F390 HydrophobicContact CD2-CE1 4.07Å; L296-F390 HydrophobicContact CD2-CZ 3.63Å
297N98.2Very high98.4Very high0 Ų033.9 Ų33.90%015%0.151CC..EExtended strand (participates in β ladder)trans-72.9125.7178.557.7-63.4000110.5Y253 N264 S265 Y299 P355 W377Y253-N297 HydrophobicContact CG-CB 4.42Å; N264-N297 PolarHBondContact ND2-ND2 3.1Å; N264-N297 VanDerWaalsContact ND2-ND2 3.16Å; S265-N297 WeakPolarHBondContact CB-OD1 3.4Å; N297-Y299 VanDerWaalsContact C-N 3.33Å; N297-Y299 HydrophobicContact CB-CD1 3.89Å; N297-Y299 HydrophobicContact CB-CE1 3.62Å; N297-Y299 PolarHBondContact ND2-O 2.85Å; N297-P355 VanDerWaalsContact O-CG 3.24Å; N297-P355 WeakPolarHBondContact O-CG 3.35Å; N297-W377 WeakPolarHBondContact CA-O 3.45Å
298F98.5Very high98.3Very high0 Ų033.4 Ų33.40%015%0.152CC..SBendtrans-96.17.3171.7-92.230.5000112.4L296 I360 I376 W377 E378 Q381 G382 F386 Y387 F390L296-F298 HydrophobicContact CD2-CE1 3.9Å; L296-F298 HydrophobicContact CG-CD1 4.33Å; L296-F298 HydrophobicContact CG-CE1 4.06Å; L296-F298 PolarHBondContact O-N 2.97Å; F298-I360 HydrophobicContact CD1-CD1 4Å; F298-I360 HydrophobicContact CE1-CD1 3.86Å; F298-I376 HydrophobicContact CB-CG2 4.32Å; F298-I376 HydrophobicContact CD1-CG2 3.5Å; F298-I376 HydrophobicContact CD2-CG2 3.72Å; F298-I376 HydrophobicContact CE1-CG2 3.61Å; F298-I376 HydrophobicContact CE2-CG2 3.83Å; F298-I376 HydrophobicContact CG-CG2 3.57Å; F298-I376 HydrophobicContact CZ-CD1 4.25Å; F298-I376 HydrophobicContact CZ-CG2 3.77Å; F298-W377 PolarHBondContact N-O 3.14Å; F298-E378 WeakPolarHBondContact CB-O 3.25Å; F298-Q381 HydrophobicContact CB-CB 4.2Å; F298-Q381 CarbonylContact O-C 3.37Å; F298-Q381 VanDerWaalsContact O-O 3.07Å; F298-G382 VanDerWaalsContact O-CA 3.29Å; F298-G382 WeakPolarHBondContact O-CA 3.28Å; F298-G382 PolarHBondContact O-N 3.35Å; F298-F386 HydrophobicContact CD1-CD2 4.12Å; F298-F386 HydrophobicContact CD2-CD2 4.04Å; F298-F386 HydrophobicContact CE1-CD2 4.01Å; F298-F386 HydrophobicContact CE2-CB 4.09Å; F298-F386 AromaticContact CE2-CD2 3.91Å; F298-F386 HydrophobicContact CE2-CD2 3.91Å; F298-F386 HydrophobicContact CG-CD2 4.14Å; F298-F386 HydrophobicContact CZ-CB 3.87Å; F298-F386 AromaticContact CZ-CD2 3.91Å; F298-F386 HydrophobicContact CZ-CD2 3.91Å; F298-F386 HydrophobicContact CZ-CG 4.4Å; F298-Y387 AromaticContact CE2-CE1 3.81Å; F298-Y387 HydrophobicContact CE2-CE1 3.81Å; F298-Y387 HydrophobicContact CE2-CE2 4.5Å; F298-Y387 AromaticContact CE2-CZ 3.67Å; F298-Y387 VanDerWaalsContact CE2-OH 3.3Å; F298-Y387 WeakPolarHBondContact CE2-OH 3.41Å; F298-Y387 HydrophobicContact CZ-CE1 4.44Å; F298-F390 HydrophobicContact CE1-CE2 4.32Å; F298-F390 AromaticContact CE1-CZ 3.94Å; F298-F390 HydrophobicContact CE1-CZ 3.94Å; F298-F390 AromaticContact CZ-CE2 3.73Å; F298-F390 HydrophobicContact CZ-CE2 3.73Å; F298-F390 AromaticContact CZ-CZ 3.67Å; F298-F390 HydrophobicContact CZ-CZ 3.67Å
299Y98.6Very high98.3Very high7 Ų736 Ų363%0.02717%0.168CC..  trans-121.6154.5173.770.2-72.5000110.3Y253 D254 N264 N297 M301 P312 I313 P355 W377Y253-Y299 WeakPolarHBondContact CD2-OH 3.43Å; D254-Y299 PolarHBondContact OD1-OH 2.87Å; D254-Y299 PolarHBondContact OD2-OH 2.91Å; N264-Y299 WeakPolarHBondContact ND2-CE2 3.44Å; N264-Y299 PolarHBondContact ND2-O 2.95Å; N297-Y299 VanDerWaalsContact C-N 3.33Å; N297-Y299 HydrophobicContact CB-CD1 3.89Å; N297-Y299 HydrophobicContact CB-CE1 3.62Å; N297-Y299 PolarHBondContact ND2-O 2.85Å; Y299-M301 HydrophobicContact CD2-SD 4.32Å; Y299-M301 HydrophobicContact CE2-SD 3.91Å; Y299-P312 HydrophobicContact CD2-CB 3.77Å; Y299-P312 HydrophobicContact CE2-CB 4.25Å; Y299-I313 WeakPolarHBondContact CA-O 3.34Å; Y299-P355 VanDerWaalsContact O-CD 3.29Å; Y299-P355 WeakPolarHBondContact O-CD 3.36Å; Y299-P355 WeakPolarHBondContact O-CG 3.33Å; Y299-W377 AromaticContact CE1-CD1 3.64Å
300G98.6Very high98.3Very high0 Ų036.8 Ų36.80%018%0.18CC..EExtended strand (participates in β ladder)trans-101.3-171.8169.400000112.2P312 I313 F353G300-P312 WeakPolarHBondContact O-CA 3.1Å; G300-I313 PolarHBondContact N-O 3.02Å; G300-I313 PolarHBondContact O-N 3.35Å; G300-F353 CarbonylContact C-O 3.49Å; G300-F353 WeakPolarHBondContact CA-O 3.29Å
301M98.7Very high98.3Very high15 Ų1534.3 Ų34.37%0.07418%0.176CC..EExtended strand (participates in β ladder)trans-122.7132.5170.3-65.8-59.6-63.500109.6N264 Y299 Y303 P312 A352 F353N264-M301 HydrophobicContact CB-CG 4.27Å; Y299-M301 HydrophobicContact CD2-SD 4.32Å; Y299-M301 HydrophobicContact CE2-SD 3.91Å; M301-Y303 HydrophobicContact CB-CD2 4.2Å; M301-Y303 HydrophobicContact CB-CE1 4.41Å; M301-Y303 HydrophobicContact CB-CE2 3.45Å; M301-Y303 VanDerWaalsContact CB-CE2 3.45Å; M301-Y303 HydrophobicContact CE-CE1 4.3Å; M301-Y303 HydrophobicContact CG-CE2 4.39Å; M301-P312 HydrophobicContact SD-CB 4.44Å; M301-P312 HydrophobicContact SD-CG 4.3Å; M301-A352 CarbonylContact O-C 3.54Å; M301-A352 WeakPolarHBondContact O-CA 2.96Å; M301-F353 PolarHBondContact N-O 2.95Å; M301-F353 PolarHBondContact O-N 3.27Å
302D98.7Very high98.3Very high8 Ų837 Ų374%0.04320%0.195CC..EExtended strand (participates in β ladder)trans-108.1116.3170.5-177.624.7000109.7G310 E311 I313 Y342 H350 A352D302-G310 CarbonylContact O-C 3.46Å; D302-G310 WeakPolarHBondContact O-CA 3.37Å; D302-E311 PolarHBondContact N-O 3.48Å; D302-E311 PolarHBondContact O-N 3.29Å; D302-I313 HydrophobicContact CB-CB 4.19Å; D302-I313 HydrophobicContact CB-CD1 4.33Å; D302-I313 HydrophobicContact CB-CG2 4.33Å; D302-Y342 PolarHBondContact OD2-OH 2.85Å; D302-H350 VanDerWaalsContact CG-ND1 3.31Å; D302-H350 WeakPolarHBondContact OD1-CB 3.42Å; D302-H350 IonicContact OD1-CG 3.42Å; D302-H350 IonicContact OD1-ND1 3.68Å; D302-H350 PolarHBondContact OD1-ND1 3.42Å; D302-H350 VanDerWaalsContact OD1-ND1 3.1Å; D302-H350 IonicContact OD2-CE1 2.79Å; D302-H350 PolarHBondContact OD2-CE1 3.49Å; D302-H350 IonicContact OD2-CG 3.76Å; D302-H350 IonicContact OD2-ND1 3.91Å; D302-H350 PolarHBondContact OD2-ND1 2.82Å; D302-A352 HydrophobicContact CB-CB 4.27Å
303Y98.7Very high98.2Very high0 Ų037.3 Ų37.30%020%0.197CC..EExtended strand (participates in β ladder)trans-105.4147-177.5-61-79.1000111.4S256 P258 P261 M301 P305 H350 L351 F353S256-Y303 WeakPolarHBondContact CB-OH 3.31Å; S256-Y303 PolarHBondContact O-OH 3.13Å; P258-Y303 HydrophobicContact CG-CE1 4.45Å; P261-Y303 HydrophobicContact CB-CD1 4.21Å; P261-Y303 HydrophobicContact CB-CD2 3.72Å; P261-Y303 HydrophobicContact CB-CE2 4.27Å; P261-Y303 HydrophobicContact CB-CG 3.67Å; P261-Y303 HydrophobicContact CG-CD1 4.2Å; P261-Y303 HydrophobicContact CG-CG 4Å; M301-Y303 HydrophobicContact CB-CD2 4.2Å; M301-Y303 HydrophobicContact CB-CE1 4.41Å; M301-Y303 HydrophobicContact CB-CE2 3.45Å; M301-Y303 VanDerWaalsContact CB-CE2 3.45Å; M301-Y303 HydrophobicContact CE-CE1 4.3Å; M301-Y303 HydrophobicContact CG-CE2 4.39Å; Y303-P305 WeakPolarHBondContact O-CD 3.26Å; Y303-H350 CarbonylContact O-C 3.58Å; Y303-H350 WeakPolarHBondContact O-CA 3.4Å; Y303-L351 WeakPolarHBondContact CB-O 3.44Å; Y303-L351 WeakPolarHBondContact CD2-O 3.47Å; Y303-L351 PolarHBondContact N-O 2.95Å; Y303-L351 PolarHBondContact O-N 2.77Å; Y303-F353 AromaticContact CD2-CD2 3.97Å; Y303-F353 HydrophobicContact CD2-CD2 3.97Å; Y303-F353 HydrophobicContact CD2-CE2 4.19Å; Y303-F353 AromaticContact CE2-CD2 3.89Å; Y303-F353 HydrophobicContact CE2-CD2 3.89Å; Y303-F353 HydrophobicContact CE2-CE2 4.29Å
304L98.4Very high98.2Very high24 Ų2442.4 Ų42.413%0.12622%0.216CC..EExtended strand (participates in β ladder)trans-110.985.8166.3-76.8163.6000108.3K306 K307 I308 T309 Q348 H350L304-K306 VanDerWaalsContact C-N 3.28Å; L304-K306 PolarHBondContact O-N 2.88Å; L304-K306 VanDerWaalsContact O-N 3.16Å; L304-K307 HydrophobicContact CB-CB 4.18Å; L304-K307 HydrophobicContact CD1-CD 4.31Å; L304-K307 PolarHBondContact O-N 3.38Å; L304-I308 PolarHBondContact O-N 3.37Å; L304-T309 WeakPolarHBondContact CB-OG1 3.42Å; L304-T309 PolarHBondContact N-O 3.16Å; L304-Q348 HydrophobicContact CD2-CB 3.71Å; L304-H350 WeakPolarHBondContact CD2-NE2 3.26Å
305P97.2Very high98.2Very high57 Ų5742.4 Ų42.437%0.3722%0.216SC..G310 helixtrans-59.2-36.8-167.5-26.636.1000113.6P261 Y303 K307 I308 D349 L351P261-P305 HydrophobicContact CG-CB 4.41Å; P261-P305 HydrophobicContact CG-CG 4.33Å; Y303-P305 WeakPolarHBondContact O-CD 3.26Å; P305-K307 PolarHBondContact O-N 3.21Å; P305-I308 PolarHBondContact O-N 3.26Å; P305-D349 WeakPolarHBondContact CD-O 3.36Å; P305-L351 HydrophobicContact CG-CB 4.07Å
306K97.2Very high98.1Very high171 Ų17146.5 Ų46.574%0.74324%0.238SC*.G310 helixtrans-66.8-21.7178.1-72178.3175166.10113.8L304 D349L304-K306 VanDerWaalsContact C-N 3.28Å; L304-K306 PolarHBondContact O-N 2.88Å; L304-K306 VanDerWaalsContact O-N 3.16Å; K306-D349 WeakPolarHBondContact CE-OD2 3.29Å; K306-D349 IonicContact NZ-OD2 2.71Å; K306-D349 PolarHBondContact NZ-OD2 3.19Å
307K97.4Very high98.1Very high114 Ų11449.8 Ų49.850%0.49625%0.253SS..G310 helixtrans-104.2-8178.9-67.5-176.6174.5179.90113L304 P305 T309L304-K307 HydrophobicContact CB-CB 4.18Å; L304-K307 HydrophobicContact CD1-CD 4.31Å; L304-K307 PolarHBondContact O-N 3.38Å; P305-K307 PolarHBondContact O-N 3.21Å; K307-T309 HydrophobicContact CB-CG2 4.3Å; K307-T309 PolarHBondContact O-N 3.33Å
308I97.2Very high98.1Very high91 Ų9149.8 Ų49.847%0.46725%0.253SS..THydrogen-bonded Turntrans55.842.6-177-44.5-179.4000110.3P258 H259 L304 P305P258-I308 WeakPolarHBondContact CB-O 3.47Å; H259-I308 HydrophobicContact CB-CG2 4.34Å; L304-I308 PolarHBondContact O-N 3.37Å; P305-I308 PolarHBondContact O-N 3.26Å
309T98.2Very high98.1Very high66 Ų6649.9 Ų49.941%0.40525%0.254SS..EExtended strand (participates in β ladder)trans-123.1155.7174.161.50000109.7L304 K307L304-T309 WeakPolarHBondContact CB-OG1 3.42Å; L304-T309 PolarHBondContact N-O 3.16Å; K307-T309 HydrophobicContact CB-CG2 4.3Å; K307-T309 PolarHBondContact O-N 3.33Å
310G98Very high98.1Very high28 Ų2853.8 Ų53.829%0.28927%0.272SS..EExtended strand (participates in β ladder)trans-160.2147.9172.300000110.7D302D302-G310 CarbonylContact O-C 3.46Å; D302-G310 WeakPolarHBondContact O-CA 3.37Å
311E97.9Very high98.1Very high116 Ų11654.5 Ų54.554%0.54228%0.276SS..EExtended strand (participates in β ladder)trans-133.9150.3-177.463.1-170.2157.200111.4D302D302-E311 PolarHBondContact N-O 3.48Å; D302-E311 PolarHBondContact O-N 3.29Å
312P98.1Very high98Very high79 Ų7953.8 Ų53.851%0.51327%0.272SS..EExtended strand (participates in β ladder)trans-58.2138.3170.3-25.236000111.3Y299 G300 M301Y299-P312 HydrophobicContact CD2-CB 3.77Å; Y299-P312 HydrophobicContact CE2-CB 4.25Å; G300-P312 WeakPolarHBondContact O-CA 3.1Å; M301-P312 HydrophobicContact SD-CB 4.44Å; M301-P312 HydrophobicContact SD-CG 4.3Å
313I98.3Very high98Very high7 Ų758.2 Ų58.24%0.03629%0.291CS..EExtended strand (participates in β ladder)trans-122.9130.5174.7-167.3172.6000112Y299 G300 D302 E317 V318 I321 Y354Y299-I313 WeakPolarHBondContact CA-O 3.34Å; G300-I313 PolarHBondContact N-O 3.02Å; G300-I313 PolarHBondContact O-N 3.35Å; D302-I313 HydrophobicContact CB-CB 4.19Å; D302-I313 HydrophobicContact CB-CD1 4.33Å; D302-I313 HydrophobicContact CB-CG2 4.33Å; I313-E317 HydrophobicContact CD1-CB 3.95Å; I313-E317 HydrophobicContact CG1-CB 3.51Å; I313-V318 HydrophobicContact CD1-CG2 3.83Å; I313-V318 HydrophobicContact CG1-CG2 3.97Å; I313-V318 HydrophobicContact CG2-CG2 4.16Å; I313-I321 HydrophobicContact CD1-CD1 3.19Å; I313-I321 HydrophobicContact CD1-CG1 4.49Å; I313-Y354 HydrophobicContact CG2-CD2 4.43Å
314R98.1Very high98Very high108 Ų10863 Ų6341%0.40832%0.317SS..  trans-93.3163.3-178.2-56.5169.3-70.4176.5-2.7111.2N316 E317 V318 Q381R314-N316 VanDerWaalsContact C-N 3.35Å; R314-N316 PolarHBondContact O-N 3.46Å; R314-E317 WeakPolarHBondContact CB-OE2 3.4Å; R314-E317 WeakPolarHBondContact CG-OE2 3.46Å; R314-E317 IonicContact CZ-OE1 2.95Å; R314-E317 IonicContact CZ-OE2 3.23Å; R314-E317 PolarHBondContact N-OE2 2.91Å; R314-E317 IonicContact NE-OE1 3.77Å; R314-E317 PolarHBondContact NE-OE1 3.01Å; R314-E317 IonicContact NE-OE2 3.31Å; R314-E317 PolarHBondContact NE-OE2 3.04Å; R314-E317 IonicContact NH2-OE1 3.67Å; R314-E317 PolarHBondContact NH2-OE1 3.09Å; R314-E317 IonicContact NH2-OE2 2.77Å; R314-E317 WeakPolarHBondContact O-CB 3.21Å; R314-E317 PolarHBondContact O-N 3.3Å; R314-V318 PolarHBondContact O-N 3.39Å; R314-Q381 HydrophobicContact CG-CB 4.24Å; R314-Q381 HydrophobicContact CG-CG 4.04Å
315G98.1Very high98Very high0 Ų065.3 Ų65.30%032%0.324CS..Hα-helixtrans-52.3-48.4-179.400000113.2E317 V318 I319 Y354 Q381G315-E317 VanDerWaalsContact C-N 3.28Å; G315-E317 PolarHBondContact O-N 3.11Å; G315-V318 WeakPolarHBondContact O-CB 3.44Å; G315-V318 PolarHBondContact O-N 3.44Å; G315-V318 VanDerWaalsContact O-N 3.13Å; G315-I319 WeakPolarHBondContact O-CG1 3.46Å; G315-I319 PolarHBondContact O-N 3.03Å; G315-Y354 WeakPolarHBondContact CA-OH 3.38Å; G315-Y354 PolarHBondContact N-OH 3.21Å; G315-Q381 PolarHBondContact N-O 2.87Å
316N97.1Very high98Very high86 Ų8667.3 Ų67.346%0.4633%0.329SS..Hα-helixtrans-61.2-35.3177.8-71.3-13.9000112.9L85 R314 I319 E320L85-N316 WeakPolarHBondContact CD1-ND2 3.41Å; R314-N316 VanDerWaalsContact C-N 3.35Å; R314-N316 PolarHBondContact O-N 3.46Å; N316-I319 PolarHBondContact O-N 2.92Å; N316-E320 WeakPolarHBondContact O-CG 3.49Å; N316-E320 PolarHBondContact O-N 3.23Å
317E98.3Very high98Very high68 Ų6859.5 Ų59.532%0.31830%0.296SS..Hα-helixtrans-69.6-38.8176.7-69.8158.5151.100110.9I313 R314 G315 I319 E320 I321I313-E317 HydrophobicContact CD1-CB 3.95Å; I313-E317 HydrophobicContact CG1-CB 3.51Å; R314-E317 WeakPolarHBondContact CB-OE2 3.4Å; R314-E317 WeakPolarHBondContact CG-OE2 3.46Å; R314-E317 IonicContact CZ-OE1 2.95Å; R314-E317 IonicContact CZ-OE2 3.23Å; R314-E317 PolarHBondContact N-OE2 2.91Å; R314-E317 IonicContact NE-OE1 3.77Å; R314-E317 PolarHBondContact NE-OE1 3.01Å; R314-E317 IonicContact NE-OE2 3.31Å; R314-E317 PolarHBondContact NE-OE2 3.04Å; R314-E317 IonicContact NH2-OE1 3.67Å; R314-E317 PolarHBondContact NH2-OE1 3.09Å; R314-E317 IonicContact NH2-OE2 2.77Å; R314-E317 WeakPolarHBondContact O-CB 3.21Å; R314-E317 PolarHBondContact O-N 3.3Å; G315-E317 VanDerWaalsContact C-N 3.28Å; G315-E317 PolarHBondContact O-N 3.11Å; E317-I319 VanDerWaalsContact C-N 3.32Å; E317-I319 PolarHBondContact O-N 3.46Å; E317-E320 PolarHBondContact O-N 3.2Å; E317-I321 WeakPolarHBondContact O-CG1 3.46Å; E317-I321 PolarHBondContact O-N 3.4Å
318V98.5Very high98Very high0 Ų059.5 Ų59.50%030%0.301CS..Hα-helixtrans-62.4-39171.9176.20000111.7F54 I313 R314 G315 I321 A322 F329 F340 Y354F54-V318 HydrophobicContact CE1-CG1 4.28Å; F54-V318 HydrophobicContact CZ-CG1 4.22Å; I313-V318 HydrophobicContact CD1-CG2 3.83Å; I313-V318 HydrophobicContact CG1-CG2 3.97Å; I313-V318 HydrophobicContact CG2-CG2 4.16Å; R314-V318 PolarHBondContact O-N 3.39Å; G315-V318 WeakPolarHBondContact O-CB 3.44Å; G315-V318 PolarHBondContact O-N 3.44Å; G315-V318 VanDerWaalsContact O-N 3.13Å; V318-I321 PolarHBondContact O-N 2.68Å; V318-A322 WeakPolarHBondContact O-CB 3.31Å; V318-A322 PolarHBondContact O-N 2.9Å; V318-F329 HydrophobicContact CG1-CE1 4.27Å; V318-F329 HydrophobicContact CG1-CZ 4Å; V318-F340 HydrophobicContact CG1-CE1 4.18Å; V318-F340 HydrophobicContact CG1-CZ 4.23Å; V318-F340 HydrophobicContact CG2-CZ 4.34Å; V318-Y354 HydrophobicContact CB-CD2 4.49Å; V318-Y354 HydrophobicContact CG1-CD1 4.25Å; V318-Y354 HydrophobicContact CG1-CG 4.4Å; V318-Y354 HydrophobicContact CG2-CD1 4.28Å; V318-Y354 HydrophobicContact CG2-CD2 3.46Å; V318-Y354 VanDerWaalsContact CG2-CD2 3.46Å; V318-Y354 HydrophobicContact CG2-CE2 3.81Å; V318-Y354 HydrophobicContact CG2-CG 3.76Å
319I98.4Very high98.1Very high2 Ų255.7 Ų55.71%0.0128%0.281CS..Hα-helixtrans-61.6-45.4173.9-63.6-48.3000110.9F54 L55 H58 G315 N316 E317 I321 A322 K323 L383F54-I319 HydrophobicContact CD1-CD1 4.22Å; F54-I319 HydrophobicContact CE1-CD1 3.48Å; F54-I319 VanDerWaalsContact CE1-CD1 3.48Å; F54-I319 HydrophobicContact CE2-CD1 4.35Å; F54-I319 HydrophobicContact CZ-CD1 3.56Å; L55-I319 HydrophobicContact CD2-CD1 4.48Å; L55-I319 HydrophobicContact CD2-CG2 3.91Å; H58-I319 HydrophobicContact CB-CD1 3.59Å; H58-I319 HydrophobicContact CB-CG1 4.38Å; H58-I319 VanDerWaalsContact CG-CD1 3.45Å; G315-I319 WeakPolarHBondContact O-CG1 3.46Å; G315-I319 PolarHBondContact O-N 3.03Å; N316-I319 PolarHBondContact O-N 2.92Å; E317-I319 VanDerWaalsContact C-N 3.32Å; E317-I319 PolarHBondContact O-N 3.46Å; I319-I321 PolarHBondContact O-N 2.71Å; I319-A322 PolarHBondContact O-N 3.02Å; I319-K323 HydrophobicContact CG2-CD 4.25Å; I319-K323 WeakPolarHBondContact O-CG 3.16Å; I319-K323 PolarHBondContact O-N 2.64Å; I319-L383 HydrophobicContact CD1-CD2 4.04Å; I319-L383 HydrophobicContact CG1-CD2 3.9Å
320E98.3Very high98.1Very high90 Ų9058.6 Ų58.642%0.42129%0.288SS..Hα-helixtrans-66.9-36178-65.8-44.612600112.6N316 E317 K323 N324N316-E320 WeakPolarHBondContact O-CG 3.49Å; N316-E320 PolarHBondContact O-N 3.23Å; E317-E320 PolarHBondContact O-N 3.2Å; E320-K323 IonicContact OE1-NZ 2.86Å; E320-K323 PolarHBondContact OE1-NZ 3.36Å; E320-K323 IonicContact OE2-NZ 3.04Å; E320-N324 WeakPolarHBondContact O-CB 3.38Å; E320-N324 PolarHBondContact O-N 2.7Å; E320-N324 PolarHBondContact O-ND2 3.31Å
321I98.5Very high98.1Very high15 Ų1559.3 Ų59.38%0.07728%0.282CS..Hα-helixtrans-63.8-46.4171.7-69.9169.3000110.6I313 E317 V318 I319 K323 N324 Y325 P327 F340 Y342I313-I321 HydrophobicContact CD1-CD1 3.19Å; I313-I321 HydrophobicContact CD1-CG1 4.49Å; E317-I321 WeakPolarHBondContact O-CG1 3.46Å; E317-I321 PolarHBondContact O-N 3.4Å; V318-I321 PolarHBondContact O-N 2.68Å; I319-I321 PolarHBondContact O-N 2.71Å; I321-K323 VanDerWaalsContact C-N 3.34Å; I321-K323 PolarHBondContact O-N 3Å; I321-N324 PolarHBondContact O-N 2.69Å; I321-Y325 HydrophobicContact CB-CD2 4.3Å; I321-Y325 HydrophobicContact CG2-CD2 3.89Å; I321-Y325 WeakPolarHBondContact O-CD2 3.22Å; I321-Y325 PolarHBondContact O-N 2.9Å; I321-P327 HydrophobicContact CG2-CG 4.24Å; I321-F340 HydrophobicContact CD1-CE2 4.45Å; I321-F340 HydrophobicContact CG2-CD2 4.47Å; I321-F340 HydrophobicContact CG2-CE2 3.77Å; I321-F340 HydrophobicContact CG2-CZ 4.48Å; I321-Y342 HydrophobicContact CD1-CE1 3.78Å; I321-Y342 WeakPolarHBondContact CD1-OH 3.34Å; I321-Y342 HydrophobicContact CG1-CE1 4.38Å; I321-Y342 HydrophobicContact CG1-CE2 4.49Å; I321-Y342 HydrophobicContact CG2-CD1 3.8Å; I321-Y342 HydrophobicContact CG2-CD2 4.36Å; I321-Y342 HydrophobicContact CG2-CE1 3.84Å; I321-Y342 HydrophobicContact CG2-CE2 4.42Å; I321-Y342 HydrophobicContact CG2-CG 4.06Å
322A98.3Very high98.1Very high0 Ų056 Ų560%027%0.268CS..Hα-helixtrans-59.5-45.4-179.900000111.3F54 L55 V318 I319 Q326F54-A322 HydrophobicContact CD1-CB 4.3Å; F54-A322 HydrophobicContact CE1-CB 4.2Å; L55-A322 HydrophobicContact CD2-CB 3.92Å; V318-A322 WeakPolarHBondContact O-CB 3.31Å; V318-A322 PolarHBondContact O-N 2.9Å; I319-A322 PolarHBondContact O-N 3.02Å; A322-Q326 WeakPolarHBondContact O-CA 3.43Å; A322-Q326 PolarHBondContact O-N 2.83Å; A322-Q326 PolarHBondContact O-NE2 3.16Å
323K98.1Very high98.1Very high100 Ų10060.3 Ų60.344%0.43528%0.279SS..Hα-helixtrans-58.2-49.7174.3-72.4172.9-174.3164.70112.4L55 I319 E320 I321 Q326L55-K323 HydrophobicContact CD1-CG 3.93Å; L55-K323 HydrophobicContact CD2-CG 3.66Å; L55-K323 HydrophobicContact CG-CG 4.44Å; I319-K323 HydrophobicContact CG2-CD 4.25Å; I319-K323 WeakPolarHBondContact O-CG 3.16Å; I319-K323 PolarHBondContact O-N 2.64Å; E320-K323 IonicContact OE1-NZ 2.86Å; E320-K323 PolarHBondContact OE1-NZ 3.36Å; E320-K323 IonicContact OE2-NZ 3.04Å; I321-K323 VanDerWaalsContact C-N 3.34Å; I321-K323 PolarHBondContact O-N 3Å; K323-Q326 PolarHBondContact O-NE2 2.82Å
324N98.2Very high97.9Very high100 Ų10067 Ų6754%0.53531%0.308SS..Hα-helixtrans-79.4-32-170.3-72.9-55.2000114E320 I321E320-N324 WeakPolarHBondContact O-CB 3.38Å; E320-N324 PolarHBondContact O-N 2.7Å; E320-N324 PolarHBondContact O-ND2 3.31Å; I321-N324 PolarHBondContact O-N 2.69Å
325Y98.1Very high97.8Very high74 Ų7465.7 Ų65.729%0.2930%0.303SS..Hα-helixtrans-123.6-9-168.8-53.6-71.2000114.4I321 P327 Y342 K343I321-Y325 HydrophobicContact CB-CD2 4.3Å; I321-Y325 HydrophobicContact CG2-CD2 3.89Å; I321-Y325 WeakPolarHBondContact O-CD2 3.22Å; I321-Y325 PolarHBondContact O-N 2.9Å; Y325-P327 VanDerWaalsContact C-N 3.31Å; Y325-Y342 HydrophobicContact CD1-CD2 4.31Å; Y325-Y342 AromaticContact CD2-CD2 3.56Å; Y325-Y342 HydrophobicContact CD2-CD2 3.56Å; Y325-Y342 AromaticContact CD2-CE2 3.97Å; Y325-Y342 HydrophobicContact CD2-CE2 3.97Å; Y325-Y342 HydrophobicContact CD2-CG 4.23Å; Y325-Y342 HydrophobicContact CE1-CD2 4.5Å; Y325-Y342 AromaticContact CE2-CD2 3.77Å; Y325-Y342 HydrophobicContact CE2-CD2 3.77Å; Y325-Y342 AromaticContact CE2-CE2 3.79Å; Y325-Y342 HydrophobicContact CE2-CE2 3.79Å; Y325-Y342 AromaticContact CG-CD2 3.84Å; Y325-Y342 HydrophobicContact CG-CD2 3.84Å; Y325-Y342 HydrophobicContact CG-CG 4.35Å; Y325-K343 WeakPolarHBondContact CD1-O 3.44Å; Y325-K343 VanDerWaalsContact CE1-O 3.23Å; Y325-K343 WeakPolarHBondContact CE1-O 3.19Å
326Q97.3Very high97.8Very high99 Ų9965.7 Ų65.746%0.46330%0.303SS..  trans46.949176.6-59.8-71-46.300112.9A322 K323A322-Q326 WeakPolarHBondContact O-CA 3.43Å; A322-Q326 PolarHBondContact O-N 2.83Å; A322-Q326 PolarHBondContact O-NE2 3.16Å; K323-Q326 PolarHBondContact O-NE2 2.82Å
327P98Very high97.8Very high7 Ų761.7 Ų61.75%0.04528%0.281CS..  trans-72.3150.4-171.435.5-37000110.8I51 I321 Y325 F329 F340 S341I51-P327 WeakPolarHBondContact CD1-O 3.42Å; I321-P327 HydrophobicContact CG2-CG 4.24Å; Y325-P327 VanDerWaalsContact C-N 3.31Å; P327-F329 HydrophobicContact CG-CE2 3.99Å; P327-F329 WeakPolarHBondContact O-CD2 3.42Å; P327-F329 PolarHBondContact O-N 3.26Å; P327-F340 HydrophobicContact CB-CB 4.09Å; P327-F340 HydrophobicContact CB-CD2 3.95Å; P327-F340 HydrophobicContact CB-CG 4.34Å; P327-F340 HydrophobicContact CG-CB 4.36Å; P327-F340 HydrophobicContact CG-CD2 3.8Å; P327-F340 HydrophobicContact CG-CE2 4.41Å; P327-F340 HydrophobicContact CG-CG 4.19Å; P327-S341 WeakPolarHBondContact CB-O 3.48Å
328N97.7Very high97.8Very high114 Ų11458.4 Ų58.461%0.6127%0.266SS*.  trans-80.5115.1173.6-177.721.9000110.6
329F98.5Very high97.8Very high10 Ų1059.4 Ų59.44%0.04427%0.273CS..  trans-77.3123174.7-73.9-107.2000110.5I49 I51 F54 V318 P327 H338 F340 T356I49-F329 HydrophobicContact CB-CB 4.02Å; I49-F329 HydrophobicContact CB-CG 4.32Å; I49-F329 HydrophobicContact CD1-CB 3.99Å; I49-F329 HydrophobicContact CD1-CD1 3.79Å; I49-F329 HydrophobicContact CD1-CE1 4.47Å; I49-F329 HydrophobicContact CD1-CG 3.94Å; I49-F329 HydrophobicContact CG1-CB 4.43Å; I49-F329 HydrophobicContact CG2-CB 4.47Å; I49-F329 HydrophobicContact CG2-CD2 4.12Å; I49-F329 HydrophobicContact CG2-CG 4.27Å; I51-F329 HydrophobicContact CD1-CD2 3.55Å; I51-F329 HydrophobicContact CD1-CE2 3.42Å; I51-F329 VanDerWaalsContact CD1-CE2 3.42Å; F54-F329 HydrophobicContact CE1-CZ 4.22Å; V318-F329 HydrophobicContact CG1-CE1 4.27Å; V318-F329 HydrophobicContact CG1-CZ 4Å; P327-F329 HydrophobicContact CG-CE2 3.99Å; P327-F329 WeakPolarHBondContact O-CD2 3.42Å; P327-F329 PolarHBondContact O-N 3.26Å; F329-H338 HydrophobicContact CD1-CB 4.06Å; F329-F340 HydrophobicContact CD1-CB 4.45Å; F329-F340 AromaticContact CD1-CD1 3.62Å; F329-F340 HydrophobicContact CD1-CD1 3.62Å; F329-F340 HydrophobicContact CD1-CE1 4.31Å; F329-F340 HydrophobicContact CD1-CG 4.37Å; F329-F340 AromaticContact CE1-CD1 3.29Å; F329-F340 HydrophobicContact CE1-CD1 3.29Å; F329-F340 AromaticContact CE1-CE1 3.55Å; F329-F340 HydrophobicContact CE1-CE1 3.55Å; F329-F340 HydrophobicContact CE1-CG 4.19Å; F329-F340 HydrophobicContact CE2-CD1 4.39Å; F329-F340 HydrophobicContact CG-CB 4.36Å; F329-F340 HydrophobicContact CG-CD1 4.31Å; F329-F340 AromaticContact CZ-CD1 3.73Å; F329-F340 HydrophobicContact CZ-CD1 3.73Å; F329-F340 AromaticContact CZ-CE1 3.89Å; F329-F340 HydrophobicContact CZ-CE1 3.89Å; F329-F340 HydrophobicContact CZ-CG 4.29Å; F329-T356 HydrophobicContact CD1-CG2 4.36Å; F329-T356 HydrophobicContact CE1-CG2 4.45Å
330K98.4Very high97.9Very high127 Ų12759.3 Ų59.355%0.55227%0.272SS*.EExtended strand (participates in β ladder)trans-107.2118.9179.1-62.7-178.7-177.4176.90109.8H338 S339K330-H338 WeakPolarHBondContact O-CA 3.25Å; K330-S339 PolarHBondContact N-O 3.26Å; K330-S339 PolarHBondContact O-N 3.21Å
331W98.5Very high97.9Very high43 Ų4358.4 Ų58.416%0.16328%0.276CS..EExtended strand (participates in β ladder)trans-78.7127.7174.9179.6-120.9000111.6E47 A336 H338 M358 Q362E47-W331 HydrophobicContact CB-CB 4.1Å; E47-W331 HydrophobicContact CB-CD2 4.38Å; E47-W331 HydrophobicContact CB-CG 3.8Å; E47-W331 HydrophobicContact CG-CD2 4.25Å; E47-W331 HydrophobicContact CG-CG 4.01Å; E47-W331 PolarHBondContact OE1-NE1 2.87Å; W331-A336 HydrophobicContact CH2-CB 3.84Å; W331-A336 VanDerWaalsContact CH2-O 3.28Å; W331-A336 WeakPolarHBondContact CH2-O 3.27Å; W331-A336 HydrophobicContact CZ2-CB 4.09Å; W331-A336 WeakPolarHBondContact CZ3-O 3.24Å; W331-H338 AromaticContact CE3-CE1 3.25Å; W331-H338 AromaticContact CE3-CG 3.78Å; W331-H338 AromaticContact CE3-ND1 3.3Å; W331-H338 VanDerWaalsContact CE3-ND1 3.3Å; W331-H338 AromaticContact CE3-NE2 3.69Å; W331-H338 AromaticContact CZ3-CE1 3.74Å; W331-H338 AromaticContact CZ3-ND1 3.59Å; W331-M358 HydrophobicContact CH2-CB 4.36Å; W331-M358 HydrophobicContact CH2-CG 3.67Å; W331-M358 HydrophobicContact CZ2-CE 4.3Å; W331-M358 HydrophobicContact CZ2-CG 3.95Å; W331-M358 HydrophobicContact CZ3-CB 4.31Å; W331-M358 HydrophobicContact CZ3-CG 4Å; W331-Q362 VanDerWaalsContact CZ2-OE1 3.26Å
332D98.2Very high97.9Very high48 Ų4859 Ų5926%0.25728%0.277SS..EExtended strand (participates in β ladder)trans-103.4114.3165.9-170.8-64.5000110.2K334 W335 A336 E337D332-K334 VanDerWaalsContact C-N 3.33Å; D332-K334 PolarHBondContact O-N 3.5Å; D332-K334 WeakPolarHBondContact OD1-CA 3.49Å; D332-K334 VanDerWaalsContact OD1-CB 3.32Å; D332-K334 WeakPolarHBondContact OD1-CB 3.46Å; D332-K334 PolarHBondContact OD1-N 3.49Å; D332-W335 HydrophobicContact CB-CB 4.21Å; D332-W335 HydrophobicContact CB-CD2 4.09Å; D332-W335 HydrophobicContact CB-CE3 3.64Å; D332-W335 HydrophobicContact CB-CG 4.35Å; D332-W335 HydrophobicContact CB-CZ3 4.38Å; D332-W335 PolarHBondContact OD1-N 2.85Å; D332-A336 WeakPolarHBondContact O-CA 3.26Å; D332-A336 PolarHBondContact O-N 2.89Å; D332-E337 PolarHBondContact N-O 3.38Å; D332-E337 PolarHBondContact O-N 3.29Å
333K96.6Very high97.8Very high168 Ų16864.7 Ų64.773%0.7330%0.302SS*.THydrogen-bonded Turntrans-69.4-27.2-178-175.1173.4-178.6174.40113.7
334K93.7Very high97.8Very high149 Ų14961.4 Ų61.465%0.64829%0.289SS*.THydrogen-bonded Turntrans-76.5-41.4179.7-179.8-176.5176.9-1780110.3D332D332-K334 VanDerWaalsContact C-N 3.33Å; D332-K334 PolarHBondContact O-N 3.5Å; D332-K334 WeakPolarHBondContact OD1-CA 3.49Å; D332-K334 VanDerWaalsContact OD1-CB 3.32Å; D332-K334 WeakPolarHBondContact OD1-CB 3.46Å; D332-K334 PolarHBondContact OD1-N 3.49Å
335W96.5Very high97.7Very high80 Ų8065.4 Ų65.430%0.30330%0.302SS..THydrogen-bonded Turntrans-84.7-19.7179-55.4-26.6000112.7P263 P266 L267 D332 E337 F353 R363P263-W335 HydrophobicContact CB-CB 3.92Å; P263-W335 HydrophobicContact CB-CD2 3.97Å; P263-W335 HydrophobicContact CB-CE3 4.01Å; P263-W335 HydrophobicContact CB-CG 3.96Å; P263-W335 HydrophobicContact CG-CB 4.19Å; P263-W335 HydrophobicContact CG-CD2 3.55Å; P263-W335 HydrophobicContact CG-CE3 3.88Å; P263-W335 HydrophobicContact CG-CG 3.69Å; P263-W335 HydrophobicContact CG-CZ2 4.44Å; P263-W335 HydrophobicContact CG-CZ3 4.47Å; P266-W335 HydrophobicContact CB-CB 4.18Å; P266-W335 HydrophobicContact CB-CG 4.17Å; L267-W335 PolarHBondContact N-O 2.9Å; D332-W335 HydrophobicContact CB-CB 4.21Å; D332-W335 HydrophobicContact CB-CD2 4.09Å; D332-W335 HydrophobicContact CB-CE3 3.64Å; D332-W335 HydrophobicContact CB-CG 4.35Å; D332-W335 HydrophobicContact CB-CZ3 4.38Å; D332-W335 PolarHBondContact OD1-N 2.85Å; W335-E337 VanDerWaalsContact C-N 3.26Å; W335-E337 HydrophobicContact CB-CB 4.31Å; W335-E337 PolarHBondContact O-N 2.88Å; W335-F353 HydrophobicContact CE3-CE1 4.22Å; W335-F353 AromaticContact CZ3-CE1 3.81Å; W335-F353 HydrophobicContact CZ3-CE1 3.81Å; W335-R363 PolarHBondContact O-NH2 3.25Å
336A97.9Very high97.6Very high0 Ų069.5 Ų69.50%032%0.321CS..THydrogen-bonded Turntrans54.242.5-169.300000111.7L267 W331 D332 S359 Q362 R363L267-A336 HydrophobicContact CB-CB 3.81Å; L267-A336 HydrophobicContact CD2-CB 3.68Å; L267-A336 HydrophobicContact CG-CB 4.33Å; W331-A336 HydrophobicContact CH2-CB 3.84Å; W331-A336 VanDerWaalsContact CH2-O 3.28Å; W331-A336 WeakPolarHBondContact CH2-O 3.27Å; W331-A336 HydrophobicContact CZ2-CB 4.09Å; W331-A336 WeakPolarHBondContact CZ3-O 3.24Å; D332-A336 WeakPolarHBondContact O-CA 3.26Å; D332-A336 PolarHBondContact O-N 2.89Å; A336-S359 WeakPolarHBondContact O-CA 3.34Å; A336-S359 VanDerWaalsContact O-CB 3.25Å; A336-S359 WeakPolarHBondContact O-CB 3.22Å; A336-S359 PolarHBondContact O-OG 2.87Å; A336-S359 VanDerWaalsContact O-OG 3.04Å; A336-Q362 HydrophobicContact CB-CB 4.16Å; A336-R363 PolarHBondContact O-NH1 2.95Å; A336-R363 PolarHBondContact O-NH2 3.21Å
337E98.1Very high97.5Very high1 Ų169.1 Ų69.11%0.00533%0.33CS..EExtended strand (participates in β ladder)trans-138.8143.8-175.7-158.8167.1165.900110.1P263 N264 S265 D332 W335 R363P263-E337 WeakPolarHBondContact CA-OE2 3.33Å; P263-E337 VanDerWaalsContact CB-OE2 3.28Å; P263-E337 WeakPolarHBondContact CB-OE2 3.25Å; N264-E337 WeakPolarHBondContact CB-OE1 3.23Å; N264-E337 PolarHBondContact N-OE1 2.83Å; N264-E337 PolarHBondContact N-OE2 2.58Å; S265-E337 PolarHBondContact N-OE2 3.46Å; D332-E337 PolarHBondContact N-O 3.38Å; D332-E337 PolarHBondContact O-N 3.29Å; W335-E337 VanDerWaalsContact C-N 3.26Å; W335-E337 HydrophobicContact CB-CB 4.31Å; W335-E337 PolarHBondContact O-N 2.88Å; E337-R363 IonicContact OE2-NH2 2.68Å; E337-R363 PolarHBondContact OE2-NH2 3.03Å
338H98.6Very high97.5Very high0 Ų071 Ų710%034%0.338CS..EExtended strand (participates in β ladder)trans-86.6140.5171.1-73.691.1000109.8T46 E47 F329 K330 W331 F353 Y354 T356T46-H338 PolarHBondContact O-CE1 2.85Å; E47-H338 PolarHBondContact O-NE2 3.37Å; F329-H338 HydrophobicContact CD1-CB 4.06Å; K330-H338 WeakPolarHBondContact O-CA 3.25Å; W331-H338 AromaticContact CE3-CE1 3.25Å; W331-H338 AromaticContact CE3-CG 3.78Å; W331-H338 AromaticContact CE3-ND1 3.3Å; W331-H338 VanDerWaalsContact CE3-ND1 3.3Å; W331-H338 AromaticContact CE3-NE2 3.69Å; W331-H338 AromaticContact CZ3-CE1 3.74Å; W331-H338 AromaticContact CZ3-ND1 3.59Å; H338-F353 WeakPolarHBondContact O-CA 3.34Å; H338-Y354 PolarHBondContact O-N 2.87Å; H338-T356 HydrophobicContact CB-CG2 3.74Å; H338-T356 PolarHBondContact CE1-OG1 3.02Å; H338-T356 WeakPolarHBondContact ND1-CG2 3.34Å; H338-T356 PolarHBondContact ND1-OG1 3.4Å
339S98.7Very high97.6Very high20 Ų2068 Ų6814%0.1432%0.321CS..EExtended strand (participates in β ladder)trans-118.5156.4164.259.10000110.6K330 A352K330-S339 PolarHBondContact N-O 3.26Å; K330-S339 PolarHBondContact O-N 3.21Å; S339-A352 CarbonylContact C-O 3.46Å; S339-A352 WeakPolarHBondContact CA-O 3.24Å; S339-A352 WeakPolarHBondContact CB-O 3.41Å
340F98.7Very high97.6Very high1 Ų168.2 Ų68.20%0.00432%0.323CS..EExtended strand (participates in β ladder)trans-149.4155.5172.660-94.1000110.3V318 I321 P327 F329 Y342 A352V318-F340 HydrophobicContact CG1-CE1 4.18Å; V318-F340 HydrophobicContact CG1-CZ 4.23Å; V318-F340 HydrophobicContact CG2-CZ 4.34Å; I321-F340 HydrophobicContact CD1-CE2 4.45Å; I321-F340 HydrophobicContact CG2-CD2 4.47Å; I321-F340 HydrophobicContact CG2-CE2 3.77Å; I321-F340 HydrophobicContact CG2-CZ 4.48Å; P327-F340 HydrophobicContact CB-CB 4.09Å; P327-F340 HydrophobicContact CB-CD2 3.95Å; P327-F340 HydrophobicContact CB-CG 4.34Å; P327-F340 HydrophobicContact CG-CB 4.36Å; P327-F340 HydrophobicContact CG-CD2 3.8Å; P327-F340 HydrophobicContact CG-CE2 4.41Å; P327-F340 HydrophobicContact CG-CG 4.19Å; F329-F340 HydrophobicContact CD1-CB 4.45Å; F329-F340 AromaticContact CD1-CD1 3.62Å; F329-F340 HydrophobicContact CD1-CD1 3.62Å; F329-F340 HydrophobicContact CD1-CE1 4.31Å; F329-F340 HydrophobicContact CD1-CG 4.37Å; F329-F340 AromaticContact CE1-CD1 3.29Å; F329-F340 HydrophobicContact CE1-CD1 3.29Å; F329-F340 AromaticContact CE1-CE1 3.55Å; F329-F340 HydrophobicContact CE1-CE1 3.55Å; F329-F340 HydrophobicContact CE1-CG 4.19Å; F329-F340 HydrophobicContact CE2-CD1 4.39Å; F329-F340 HydrophobicContact CG-CB 4.36Å; F329-F340 HydrophobicContact CG-CD1 4.31Å; F329-F340 AromaticContact CZ-CD1 3.73Å; F329-F340 HydrophobicContact CZ-CD1 3.73Å; F329-F340 AromaticContact CZ-CE1 3.89Å; F329-F340 HydrophobicContact CZ-CE1 3.89Å; F329-F340 HydrophobicContact CZ-CG 4.29Å; F340-Y342 HydrophobicContact CD2-CD1 4.05Å; F340-Y342 AromaticContact CE2-CD1 3.92Å; F340-Y342 HydrophobicContact CE2-CD1 3.92Å; F340-Y342 AromaticContact CE2-CE1 3.99Å; F340-Y342 HydrophobicContact CE2-CE1 3.99Å; F340-A352 HydrophobicContact CD1-CB 4.34Å; F340-A352 HydrophobicContact CD2-CB 4.01Å; F340-A352 HydrophobicContact CE1-CB 3.86Å; F340-A352 HydrophobicContact CE2-CB 3.44Å; F340-A352 VanDerWaalsContact CE2-CB 3.44Å; F340-A352 HydrophobicContact CG-CB 4.42Å; F340-A352 HydrophobicContact CZ-CB 3.38Å; F340-A352 PolarHBondContact N-O 2.69Å; F340-A352 PolarHBondContact O-N 3.46Å
341S98.5Very high97.6Very high71 Ų7164.2 Ų64.250%0.49731%0.307SS..EExtended strand (participates in β ladder)trans-122.7144177.5-57.30000109.8P327 H350P327-S341 WeakPolarHBondContact CB-O 3.48Å; S341-H350 VanDerWaalsContact CA-O 3.28Å; S341-H350 WeakPolarHBondContact CA-O 3.32Å; S341-H350 WeakPolarHBondContact CB-O 3.47Å
342Y98.4Very high97.6Very high26 Ų2662.2 Ų62.210%0.10230%0.3CS..EExtended strand (participates in β ladder)trans-149.6165.4174.768.5-80.4000110.4D302 I321 Y325 F340 D344 H350D302-Y342 PolarHBondContact OD2-OH 2.85Å; I321-Y342 HydrophobicContact CD1-CE1 3.78Å; I321-Y342 WeakPolarHBondContact CD1-OH 3.34Å; I321-Y342 HydrophobicContact CG1-CE1 4.38Å; I321-Y342 HydrophobicContact CG1-CE2 4.49Å; I321-Y342 HydrophobicContact CG2-CD1 3.8Å; I321-Y342 HydrophobicContact CG2-CD2 4.36Å; I321-Y342 HydrophobicContact CG2-CE1 3.84Å; I321-Y342 HydrophobicContact CG2-CE2 4.42Å; I321-Y342 HydrophobicContact CG2-CG 4.06Å; Y325-Y342 HydrophobicContact CD1-CD2 4.31Å; Y325-Y342 AromaticContact CD2-CD2 3.56Å; Y325-Y342 HydrophobicContact CD2-CD2 3.56Å; Y325-Y342 AromaticContact CD2-CE2 3.97Å; Y325-Y342 HydrophobicContact CD2-CE2 3.97Å; Y325-Y342 HydrophobicContact CD2-CG 4.23Å; Y325-Y342 HydrophobicContact CE1-CD2 4.5Å; Y325-Y342 AromaticContact CE2-CD2 3.77Å; Y325-Y342 HydrophobicContact CE2-CD2 3.77Å; Y325-Y342 AromaticContact CE2-CE2 3.79Å; Y325-Y342 HydrophobicContact CE2-CE2 3.79Å; Y325-Y342 AromaticContact CG-CD2 3.84Å; Y325-Y342 HydrophobicContact CG-CD2 3.84Å; Y325-Y342 HydrophobicContact CG-CG 4.35Å; F340-Y342 HydrophobicContact CD2-CD1 4.05Å; F340-Y342 AromaticContact CE2-CD1 3.92Å; F340-Y342 HydrophobicContact CE2-CD1 3.92Å; F340-Y342 AromaticContact CE2-CE1 3.99Å; F340-Y342 HydrophobicContact CE2-CE1 3.99Å; Y342-D344 HydrophobicContact CE2-CB 4.35Å; Y342-H350 HydrophobicContact CD1-CB 3.63Å; Y342-H350 HydrophobicContact CD2-CB 4.33Å; Y342-H350 HydrophobicContact CE1-CB 3.3Å; Y342-H350 AromaticContact CE1-CG 3.74Å; Y342-H350 HydrophobicContact CE2-CB 4.05Å; Y342-H350 AromaticContact CE2-CD2 3.77Å; Y342-H350 AromaticContact CE2-CG 3.76Å; Y342-H350 HydrophobicContact CG-CB 4.14Å; Y342-H350 AromaticContact CZ-CD2 3.89Å; Y342-H350 AromaticContact CZ-CG 3.4Å; Y342-H350 AromaticContact CZ-ND1 3.55Å; Y342-H350 PolarHBondContact N-O 3.49Å; Y342-H350 PolarHBondContact O-N 3.33Å; Y342-H350 PolarHBondContact OH-ND1 3.38Å; Y342-H350 VanDerWaalsContact OH-ND1 3.15Å
343K98.1Very high97.6Very high120 Ų12060.3 Ų60.352%0.52229%0.289SS..EExtended strand (participates in β ladder)trans-108.9125.3170.9-72.9178-177.1-72.80109.1Y325 Q348 D349Y325-K343 WeakPolarHBondContact CD1-O 3.44Å; Y325-K343 VanDerWaalsContact CE1-O 3.23Å; Y325-K343 WeakPolarHBondContact CE1-O 3.19Å; K343-Q348 VanDerWaalsContact CA-O 3.29Å; K343-Q348 WeakPolarHBondContact CA-O 3.44Å; K343-D349 WeakPolarHBondContact CE-OD1 3.4Å; K343-D349 WeakPolarHBondContact CG-OD1 3.29Å; K343-D349 IonicContact NZ-OD1 2.62Å; K343-D349 PolarHBondContact NZ-OD1 2.98Å; K343-D349 IonicContact NZ-OD2 3.66Å
344D96.6Very high97.7Very high31 Ų3152.3 Ų52.317%0.16625%0.254CS..  trans-72.8177.1176.579.7-9000112Y342 K346 S347 Q348 H350Y342-D344 HydrophobicContact CE2-CB 4.35Å; D344-K346 PolarHBondContact O-N 3.43Å; D344-K346 VanDerWaalsContact O-N 3.1Å; D344-K346 VanDerWaalsContact OD1-CA 3.25Å; D344-K346 WeakPolarHBondContact OD1-CA 3.49Å; D344-K346 WeakPolarHBondContact OD1-CB 3.44Å; D344-K346 PolarHBondContact OD1-N 3.49Å; D344-S347 WeakPolarHBondContact O-CA 3.17Å; D344-S347 PolarHBondContact O-N 2.93Å; D344-S347 PolarHBondContact OD1-N 2.89Å; D344-Q348 PolarHBondContact N-O 3.24Å; D344-Q348 VanDerWaalsContact N-O 3.15Å; D344-Q348 WeakPolarHBondContact OD1-CB 3.3Å; D344-Q348 PolarHBondContact OD1-N 3.04Å; D344-H350 IonicContact OD2-NE2 3.43Å
345K95.9Very high97.9Very high184 Ų18445.2 Ų45.280%0.822%0.223SC*.THydrogen-bonded Turntrans-60.5-18.3176.3-64.8179.7-179177.30113.8S347K345-S347 VanDerWaalsContact C-N 3.33Å
346K96.5Very high98Very high161 Ų16141.5 Ų41.570%0.721%0.21SC*.THydrogen-bonded Turntrans-95.312.8175.3-62.3175.9-178.9172.50111.9D344 Q348D344-K346 PolarHBondContact O-N 3.43Å; D344-K346 VanDerWaalsContact O-N 3.1Å; D344-K346 VanDerWaalsContact OD1-CA 3.25Å; D344-K346 WeakPolarHBondContact OD1-CA 3.49Å; D344-K346 WeakPolarHBondContact OD1-CB 3.44Å; D344-K346 PolarHBondContact OD1-N 3.49Å; K346-Q348 HydrophobicContact CB-CG 4.14Å; K346-Q348 PolarHBondContact O-N 2.77Å
347S96.4Very high98Very high91 Ų9142.1 Ų42.164%0.63621%0.213SC*.  trans59.424.3-178.1-58.50000114.5D344 K345D344-S347 WeakPolarHBondContact O-CA 3.17Å; D344-S347 PolarHBondContact O-N 2.93Å; D344-S347 PolarHBondContact OD1-N 2.89Å; K345-S347 VanDerWaalsContact C-N 3.33Å
348Q97.9Very high98Very high46 Ų4643.3 Ų43.322%0.21522%0.219CC..PPolyproline II helixtrans-83.5138.4176.7-60.517624.600110L304 K343 D344 K346 H350L304-Q348 HydrophobicContact CD2-CB 3.71Å; K343-Q348 VanDerWaalsContact CA-O 3.29Å; K343-Q348 WeakPolarHBondContact CA-O 3.44Å; D344-Q348 PolarHBondContact N-O 3.24Å; D344-Q348 VanDerWaalsContact N-O 3.15Å; D344-Q348 WeakPolarHBondContact OD1-CB 3.3Å; D344-Q348 PolarHBondContact OD1-N 3.04Å; K346-Q348 HydrophobicContact CB-CG 4.14Å; K346-Q348 PolarHBondContact O-N 2.77Å; Q348-H350 PolarHBondContact O-CD2 3.06Å
349D98.2Very high97.9Very high50 Ų5043.3 Ų43.327%0.26722%0.219SC..EExtended strand (participates in β ladder)trans-82.7117.1178.9-66.5-53.7000110.2P305 K306 K343P305-D349 WeakPolarHBondContact CD-O 3.36Å; K306-D349 WeakPolarHBondContact CE-OD2 3.29Å; K306-D349 IonicContact NZ-OD2 2.71Å; K306-D349 PolarHBondContact NZ-OD2 3.19Å; K343-D349 WeakPolarHBondContact CE-OD1 3.4Å; K343-D349 WeakPolarHBondContact CG-OD1 3.29Å; K343-D349 IonicContact NZ-OD1 2.62Å; K343-D349 PolarHBondContact NZ-OD1 2.98Å; K343-D349 IonicContact NZ-OD2 3.66Å
350H98.7Very high97.9Very high16 Ų1642.4 Ų42.47%0.07421%0.212CC..EExtended strand (participates in β ladder)trans-99.2145.9174-72.6-107.9000111.2D302 Y303 L304 S341 Y342 D344 Q348D302-H350 VanDerWaalsContact CG-ND1 3.31Å; D302-H350 WeakPolarHBondContact OD1-CB 3.42Å; D302-H350 IonicContact OD1-CG 3.42Å; D302-H350 IonicContact OD1-ND1 3.68Å; D302-H350 PolarHBondContact OD1-ND1 3.42Å; D302-H350 VanDerWaalsContact OD1-ND1 3.1Å; D302-H350 IonicContact OD2-CE1 2.79Å; D302-H350 PolarHBondContact OD2-CE1 3.49Å; D302-H350 IonicContact OD2-CG 3.76Å; D302-H350 IonicContact OD2-ND1 3.91Å; D302-H350 PolarHBondContact OD2-ND1 2.82Å; Y303-H350 CarbonylContact O-C 3.58Å; Y303-H350 WeakPolarHBondContact O-CA 3.4Å; L304-H350 WeakPolarHBondContact CD2-NE2 3.26Å; S341-H350 VanDerWaalsContact CA-O 3.28Å; S341-H350 WeakPolarHBondContact CA-O 3.32Å; S341-H350 WeakPolarHBondContact CB-O 3.47Å; Y342-H350 HydrophobicContact CD1-CB 3.63Å; Y342-H350 HydrophobicContact CD2-CB 4.33Å; Y342-H350 HydrophobicContact CE1-CB 3.3Å; Y342-H350 AromaticContact CE1-CG 3.74Å; Y342-H350 HydrophobicContact CE2-CB 4.05Å; Y342-H350 AromaticContact CE2-CD2 3.77Å; Y342-H350 AromaticContact CE2-CG 3.76Å; Y342-H350 HydrophobicContact CG-CB 4.14Å; Y342-H350 AromaticContact CZ-CD2 3.89Å; Y342-H350 AromaticContact CZ-CG 3.4Å; Y342-H350 AromaticContact CZ-ND1 3.55Å; Y342-H350 PolarHBondContact N-O 3.49Å; Y342-H350 PolarHBondContact O-N 3.33Å; Y342-H350 PolarHBondContact OH-ND1 3.38Å; Y342-H350 VanDerWaalsContact OH-ND1 3.15Å; D344-H350 IonicContact OD2-NE2 3.43Å; Q348-H350 PolarHBondContact O-CD2 3.06Å
351L98.7Very high97.9Very high43 Ų4343.4 Ų43.423%0.22522%0.221CC..EExtended strand (participates in β ladder)trans-131.6107.5167.5174.863.5000108P261 Y303 P305 F353P261-L351 HydrophobicContact CB-CD2 4.08Å; Y303-L351 WeakPolarHBondContact CB-O 3.44Å; Y303-L351 WeakPolarHBondContact CD2-O 3.47Å; Y303-L351 PolarHBondContact N-O 2.95Å; Y303-L351 PolarHBondContact O-N 2.77Å; P305-L351 HydrophobicContact CG-CB 4.07Å; L351-F353 HydrophobicContact CD1-CE2 4.2Å; L351-F353 HydrophobicContact CD1-CZ 4.35Å; L351-F353 HydrophobicContact CD2-CE2 3.78Å; L351-F353 HydrophobicContact CD2-CZ 4.04Å; L351-F353 HydrophobicContact CG-CD2 4.44Å; L351-F353 HydrophobicContact CG-CE2 3.64Å; L351-F353 HydrophobicContact CG-CZ 4.16Å
352A98.8Very high97.9Very high0 Ų041.9 Ų41.90%021%0.206CC..EExtended strand (participates in β ladder)trans-107.2148.8-17900000111.5M301 D302 S339 F340M301-A352 CarbonylContact O-C 3.54Å; M301-A352 WeakPolarHBondContact O-CA 2.96Å; D302-A352 HydrophobicContact CB-CB 4.27Å; S339-A352 CarbonylContact C-O 3.46Å; S339-A352 WeakPolarHBondContact CA-O 3.24Å; S339-A352 WeakPolarHBondContact CB-O 3.41Å; F340-A352 HydrophobicContact CD1-CB 4.34Å; F340-A352 HydrophobicContact CD2-CB 4.01Å; F340-A352 HydrophobicContact CE1-CB 3.86Å; F340-A352 HydrophobicContact CE2-CB 3.44Å; F340-A352 VanDerWaalsContact CE2-CB 3.44Å; F340-A352 HydrophobicContact CG-CB 4.42Å; F340-A352 HydrophobicContact CZ-CB 3.38Å; F340-A352 PolarHBondContact N-O 2.69Å; F340-A352 PolarHBondContact O-N 3.46Å
353F98.7Very high97.9Very high8 Ų840.7 Ų40.74%0.03520%0.201CC..EExtended strand (participates in β ladder)trans-124.1129.2172.6-66.4-97.3000107.8G262 P263 G300 M301 Y303 W335 H338 L351G262-F353 VanDerWaalsContact CA-CE2 3.48Å; G262-F353 WeakPolarHBondContact O-CD2 2.92Å; G262-F353 WeakPolarHBondContact O-CE2 3.33Å; G262-F353 WeakPolarHBondContact O-CG 3.19Å; P263-F353 HydrophobicContact CB-CD1 4.39Å; G300-F353 CarbonylContact C-O 3.49Å; G300-F353 WeakPolarHBondContact CA-O 3.29Å; M301-F353 PolarHBondContact N-O 2.95Å; M301-F353 PolarHBondContact O-N 3.27Å; Y303-F353 AromaticContact CD2-CD2 3.97Å; Y303-F353 HydrophobicContact CD2-CD2 3.97Å; Y303-F353 HydrophobicContact CD2-CE2 4.19Å; Y303-F353 AromaticContact CE2-CD2 3.89Å; Y303-F353 HydrophobicContact CE2-CD2 3.89Å; Y303-F353 HydrophobicContact CE2-CE2 4.29Å; W335-F353 HydrophobicContact CE3-CE1 4.22Å; W335-F353 AromaticContact CZ3-CE1 3.81Å; W335-F353 HydrophobicContact CZ3-CE1 3.81Å; H338-F353 WeakPolarHBondContact O-CA 3.34Å; L351-F353 HydrophobicContact CD1-CE2 4.2Å; L351-F353 HydrophobicContact CD1-CZ 4.35Å; L351-F353 HydrophobicContact CD2-CE2 3.78Å; L351-F353 HydrophobicContact CD2-CZ 4.04Å; L351-F353 HydrophobicContact CG-CD2 4.44Å; L351-F353 HydrophobicContact CG-CE2 3.64Å; L351-F353 HydrophobicContact CG-CZ 4.16Å
354Y98.5Very high97.8Very high0 Ų035.3 Ų35.30%018%0.178CC..EExtended strand (participates in β ladder)trans-138136.7-175.2-171.8-105.9000112.5I313 G315 V318 H338 T356 L383 F386I313-Y354 HydrophobicContact CG2-CD2 4.43Å; G315-Y354 WeakPolarHBondContact CA-OH 3.38Å; G315-Y354 PolarHBondContact N-OH 3.21Å; V318-Y354 HydrophobicContact CB-CD2 4.49Å; V318-Y354 HydrophobicContact CG1-CD1 4.25Å; V318-Y354 HydrophobicContact CG1-CG 4.4Å; V318-Y354 HydrophobicContact CG2-CD1 4.28Å; V318-Y354 HydrophobicContact CG2-CD2 3.46Å; V318-Y354 VanDerWaalsContact CG2-CD2 3.46Å; V318-Y354 HydrophobicContact CG2-CE2 3.81Å; V318-Y354 HydrophobicContact CG2-CG 3.76Å; H338-Y354 PolarHBondContact O-N 2.87Å; Y354-T356 VanDerWaalsContact C-N 3.26Å; Y354-T356 HydrophobicContact CD1-CG2 4Å; Y354-T356 PolarHBondContact O-N 3.3Å; Y354-L383 HydrophobicContact CE1-CD1 4.09Å; Y354-L383 HydrophobicContact CE1-CG 4.42Å; Y354-F386 AromaticContact CE1-CZ 3.87Å; Y354-F386 HydrophobicContact CE1-CZ 3.87Å
355P97.8Very high97.9Very high0 Ų039.1 Ų39.10%020%0.195CC..  trans-77.474.6176.134.9-39.6000111.2N297 Y299 S359 I360 F386N297-P355 VanDerWaalsContact O-CG 3.24Å; N297-P355 WeakPolarHBondContact O-CG 3.35Å; Y299-P355 VanDerWaalsContact O-CD 3.29Å; Y299-P355 WeakPolarHBondContact O-CD 3.36Å; Y299-P355 WeakPolarHBondContact O-CG 3.33Å; P355-S359 WeakPolarHBondContact CA-OG 3.4Å; P355-I360 HydrophobicContact CB-CD1 3.88Å; P355-I360 HydrophobicContact CB-CG1 4.5Å; P355-F386 WeakPolarHBondContact O-CE2 3.29Å; P355-F386 WeakPolarHBondContact O-CZ 3.23Å
356T98.1Very high97.9Very high2 Ų231.3 Ų31.31%0.01216%0.162CC..  trans-56.9170.7174.565.80000112.5I49 F329 H338 Y354 M358 S359 I360I49-T356 HydrophobicContact CD1-CG2 3.62Å; F329-T356 HydrophobicContact CD1-CG2 4.36Å; F329-T356 HydrophobicContact CE1-CG2 4.45Å; H338-T356 HydrophobicContact CB-CG2 3.74Å; H338-T356 PolarHBondContact CE1-OG1 3.02Å; H338-T356 WeakPolarHBondContact ND1-CG2 3.34Å; H338-T356 PolarHBondContact ND1-OG1 3.4Å; Y354-T356 VanDerWaalsContact C-N 3.26Å; Y354-T356 HydrophobicContact CD1-CG2 4Å; Y354-T356 PolarHBondContact O-N 3.3Å; T356-M358 PolarHBondContact O-N 3.1Å; T356-M358 VanDerWaalsContact O-N 3.09Å; T356-S359 WeakPolarHBondContact O-CA 3.49Å; T356-S359 VanDerWaalsContact O-CB 3.25Å; T356-S359 WeakPolarHBondContact O-CB 3.41Å; T356-S359 PolarHBondContact O-N 2.96Å; T356-S359 PolarHBondContact OG1-N 2.78Å; T356-I360 WeakPolarHBondContact O-CG1 3.28Å; T356-I360 PolarHBondContact O-N 3.11Å
357L97.7Very high98Very high13 Ų1323.7 Ų23.77%0.06813%0.129CC..Hα-helixtrans-54.8-35.2179.4-173.965.7000112.8A43 P45 A361 S385 F386 L389A43-L357 HydrophobicContact CB-CD2 3.65Å; A43-L357 WeakPolarHBondContact O-CD2 3.34Å; P45-L357 HydrophobicContact CG-CD2 4.28Å; P45-L357 HydrophobicContact CG-CG 4.1Å; L357-A361 WeakPolarHBondContact O-CB 3.22Å; L357-A361 PolarHBondContact O-N 3.29Å; L357-S385 WeakPolarHBondContact CD1-O 3.38Å; L357-F386 HydrophobicContact CB-CD1 4.25Å; L357-F386 HydrophobicContact CB-CE1 4.24Å; L357-F386 HydrophobicContact CD1-CD1 3.87Å; L357-L389 HydrophobicContact CD1-CD1 3.46Å; L357-L389 VanDerWaalsContact CD1-CD1 3.46Å; L357-L389 HydrophobicContact CD1-CD2 4.49Å; L357-L389 HydrophobicContact CD1-CG 3.86Å; L357-L389 HydrophobicContact CG-CD1 4.3Å
358M97.9Very high98Very high27 Ų2721.8 Ų21.813%0.13311%0.112CC..Hα-helixtrans-67-43.2174.2-175.153.4172.400112.9P45 T46 E47 W331 T356 I360 A361 Q362P45-M358 HydrophobicContact CB-CB 4.43Å; P45-M358 HydrophobicContact CB-SD 3.79Å; T46-M358 VanDerWaalsContact O-CB 3.23Å; T46-M358 WeakPolarHBondContact O-CB 3.5Å; E47-M358 HydrophobicContact CG-CE 3.57Å; E47-M358 HydrophobicContact CG-CG 4.32Å; W331-M358 HydrophobicContact CH2-CB 4.36Å; W331-M358 HydrophobicContact CH2-CG 3.67Å; W331-M358 HydrophobicContact CZ2-CE 4.3Å; W331-M358 HydrophobicContact CZ2-CG 3.95Å; W331-M358 HydrophobicContact CZ3-CB 4.31Å; W331-M358 HydrophobicContact CZ3-CG 4Å; T356-M358 PolarHBondContact O-N 3.1Å; T356-M358 VanDerWaalsContact O-N 3.09Å; M358-I360 VanDerWaalsContact C-N 3.34Å; M358-A361 PolarHBondContact O-N 2.91Å; M358-Q362 HydrophobicContact CE-CG 4.08Å; M358-Q362 PolarHBondContact O-N 3.34Å; M358-Q362 HydrophobicContact SD-CG 4.27Å
359S98.4Very high98Very high0 Ų023 Ų230%013%0.125CC..Hα-helixtrans-60.5-43175.1173.10000111.7A336 P355 T356 R363A336-S359 WeakPolarHBondContact O-CA 3.34Å; A336-S359 VanDerWaalsContact O-CB 3.25Å; A336-S359 WeakPolarHBondContact O-CB 3.22Å; A336-S359 PolarHBondContact O-OG 2.87Å; A336-S359 VanDerWaalsContact O-OG 3.04Å; P355-S359 WeakPolarHBondContact CA-OG 3.4Å; T356-S359 WeakPolarHBondContact O-CA 3.49Å; T356-S359 VanDerWaalsContact O-CB 3.25Å; T356-S359 WeakPolarHBondContact O-CB 3.41Å; T356-S359 PolarHBondContact O-N 2.96Å; T356-S359 PolarHBondContact OG1-N 2.78Å; S359-R363 PolarHBondContact O-N 3.49Å; S359-R363 VanDerWaalsContact O-N 3.16Å; S359-R363 PolarHBondContact O-NH1 2.83Å; S359-R363 VanDerWaalsContact OG-CZ 3.31Å; S359-R363 PolarHBondContact OG-NH1 3.22Å
360I98.3Very high98Very high0 Ų023.6 Ų23.60%012%0.124CC..Hα-helixtrans-64.5-48.3174.2-61.4-58.9000111.1L296 F298 P355 T356 M358 Q362 R363 L364 F386 L389 F390L296-I360 HydrophobicContact CD1-CD1 3.78Å; L296-I360 HydrophobicContact CD2-CD1 4.35Å; L296-I360 HydrophobicContact CD2-CG2 4.23Å; L296-I360 HydrophobicContact CG-CD1 4.03Å; F298-I360 HydrophobicContact CD1-CD1 4Å; F298-I360 HydrophobicContact CE1-CD1 3.86Å; P355-I360 HydrophobicContact CB-CD1 3.88Å; P355-I360 HydrophobicContact CB-CG1 4.5Å; T356-I360 WeakPolarHBondContact O-CG1 3.28Å; T356-I360 PolarHBondContact O-N 3.11Å; M358-I360 VanDerWaalsContact C-N 3.34Å; I360-Q362 PolarHBondContact O-N 3.34Å; I360-R363 PolarHBondContact O-N 2.8Å; I360-L364 HydrophobicContact CG2-CD1 3.81Å; I360-L364 HydrophobicContact CG2-CG 4.22Å; I360-L364 WeakPolarHBondContact O-CB 3.3Å; I360-L364 WeakPolarHBondContact O-CG 3.42Å; I360-L364 PolarHBondContact O-N 3.48Å; I360-F386 HydrophobicContact CD1-CD2 4.32Å; I360-F386 HydrophobicContact CD1-CE2 4.33Å; I360-F386 HydrophobicContact CG1-CD1 4.22Å; I360-F386 HydrophobicContact CG1-CD2 3.88Å; I360-F386 HydrophobicContact CG1-CE1 4.3Å; I360-F386 HydrophobicContact CG1-CE2 3.96Å; I360-F386 HydrophobicContact CG1-CG 4.03Å; I360-F386 HydrophobicContact CG1-CZ 4.19Å; I360-L389 HydrophobicContact CB-CD1 4.01Å; I360-L389 HydrophobicContact CG2-CD1 3.6Å; I360-F390 HydrophobicContact CG2-CE2 4.12Å; I360-F390 HydrophobicContact CG2-CZ 4.24Å
361A97.8Very high97.9Very high22 Ų2224.7 Ų24.718%0.18214%0.14CC..Hα-helixtrans-58.7-44.6-178.800000112.6P45 L357 M358 Q365 L389P45-A361 HydrophobicContact CB-CB 3.97Å; P45-A361 HydrophobicContact CG-CB 3.89Å; L357-A361 WeakPolarHBondContact O-CB 3.22Å; L357-A361 PolarHBondContact O-N 3.29Å; M358-A361 PolarHBondContact O-N 2.91Å; A361-Q365 WeakPolarHBondContact O-CB 3.33Å; A361-Q365 PolarHBondContact O-N 3.49Å; A361-L389 HydrophobicContact CB-CD1 3.87Å; A361-L389 HydrophobicContact CB-CD2 4.26Å
362Q98.2Very high97.9Very high39 Ų3922.8 Ų22.818%0.18213%0.13CC..Hα-helixtrans-69.9-37.2179-71.8-159.9-10.900113.3L267 W331 A336 M358 I360 T366L267-Q362 HydrophobicContact CD2-CB 4.38Å; W331-Q362 VanDerWaalsContact CZ2-OE1 3.26Å; A336-Q362 HydrophobicContact CB-CB 4.16Å; M358-Q362 HydrophobicContact CE-CG 4.08Å; M358-Q362 PolarHBondContact O-N 3.34Å; M358-Q362 HydrophobicContact SD-CG 4.27Å; I360-Q362 PolarHBondContact O-N 3.34Å; Q362-T366 WeakPolarHBondContact O-CB 3.28Å; Q362-T366 PolarHBondContact O-N 2.83Å; Q362-T366 PolarHBondContact O-OG1 3.1Å
363R98Very high97.9Very high1 Ų122.9 Ų22.90%0.00413%0.131CC..Hα-helixtrans-63.3-50.1173.1-85.3170.6-165.868.8-6.9111S265 L267 L296 W335 A336 E337 S359 I360 Q365 T366 I367S265-R363 PolarHBondContact O-NE 2.83Å; S265-R363 PolarHBondContact O-NH2 3.02Å; L267-R363 HydrophobicContact CD1-CB 4.39Å; L267-R363 HydrophobicContact CD1-CG 3.71Å; L296-R363 HydrophobicContact CD1-CB 3.81Å; L296-R363 HydrophobicContact CD1-CG 4.37Å; W335-R363 PolarHBondContact O-NH2 3.25Å; A336-R363 PolarHBondContact O-NH1 2.95Å; A336-R363 PolarHBondContact O-NH2 3.21Å; E337-R363 IonicContact OE2-NH2 2.68Å; E337-R363 PolarHBondContact OE2-NH2 3.03Å; S359-R363 PolarHBondContact O-N 3.49Å; S359-R363 VanDerWaalsContact O-N 3.16Å; S359-R363 PolarHBondContact O-NH1 2.83Å; S359-R363 VanDerWaalsContact OG-CZ 3.31Å; S359-R363 PolarHBondContact OG-NH1 3.22Å; I360-R363 PolarHBondContact O-N 2.8Å; R363-Q365 PolarHBondContact O-N 3.15Å; R363-T366 PolarHBondContact O-N 3.39Å; R363-T366 VanDerWaalsContact O-N 3.14Å; R363-I367 HydrophobicContact CB-CD1 4.25Å; R363-I367 WeakPolarHBondContact O-CB 3.5Å; R363-I367 WeakPolarHBondContact O-CD1 3.47Å; R363-I367 WeakPolarHBondContact O-CG1 3.48Å; R363-I367 PolarHBondContact O-N 2.85Å
364L98Very high97.9Very high7 Ų722.5 Ų22.54%0.03713%0.129CC..Hα-helixtrans-56.3-49.7177-74.2176.1000111.1L71 L296 I360 T366 I367 L368 V374 L389 F390L71-L364 HydrophobicContact CD1-CD2 4.16Å; L296-L364 HydrophobicContact CD2-CD2 3.87Å; L296-L364 HydrophobicContact CD2-CG 4.19Å; I360-L364 HydrophobicContact CG2-CD1 3.81Å; I360-L364 HydrophobicContact CG2-CG 4.22Å; I360-L364 WeakPolarHBondContact O-CB 3.3Å; I360-L364 WeakPolarHBondContact O-CG 3.42Å; I360-L364 PolarHBondContact O-N 3.48Å; L364-T366 VanDerWaalsContact C-N 3.28Å; L364-T366 PolarHBondContact O-N 3.27Å; L364-I367 PolarHBondContact O-N 2.92Å; L364-L368 HydrophobicContact CB-CD1 4.38Å; L364-L368 VanDerWaalsContact O-CB 3.24Å; L364-L368 WeakPolarHBondContact O-CB 3.5Å; L364-L368 WeakPolarHBondContact O-CD1 3.34Å; L364-L368 WeakPolarHBondContact O-CG 3.19Å; L364-L368 PolarHBondContact O-N 2.99Å; L364-V374 HydrophobicContact CD2-CG2 3.67Å; L364-V374 HydrophobicContact CD2-CG1 4.31Å; L364-L389 HydrophobicContact CD1-CD1 4.29Å; L364-L389 HydrophobicContact CD1-CB 3.67Å; L364-F390 HydrophobicContact CD1-CD2 4.35Å; L364-F390 HydrophobicContact CD1-CE1 4.09Å; L364-F390 HydrophobicContact CD1-CE2 3.94Å; L364-F390 HydrophobicContact CD1-CZ 3.81Å; L364-F390 HydrophobicContact CD2-CD1 4.46Å; L364-F390 HydrophobicContact CD2-CE1 3.8Å; L364-F390 HydrophobicContact CD2-CZ 4.11Å; L364-F390 HydrophobicContact CG-CZ 4.39Å; L364-F390 HydrophobicContact CD1-CD1 4.49Å
365Q97Very high97.9Very high111 Ų11122.6 Ų22.652%0.51913%0.129SC..Hα-helixtrans-54.8-46177.1-177.7176.831.400111.9A361 R363 S369A361-Q365 WeakPolarHBondContact O-CB 3.33Å; A361-Q365 PolarHBondContact O-N 3.49Å; R363-Q365 PolarHBondContact O-N 3.15Å; Q365-S369 PolarHBondContact O-OG 3.42Å; Q365-S369 PolarHBondContact O-N 2.85Å; Q365-S369 WeakPolarHBondContact O-CB 3.44Å
366T97.2Very high98Very high20 Ų2022.6 Ų22.612%0.12313%0.129CC..Hα-helixtrans-66.4-52.8-178.5-59.10000111.3L267 E271 Q362 R363 L364 L368 S369 R370L267-T366 HydrophobicContact CD1-CG2 3.95Å; L267-T366 HydrophobicContact CG-CG2 4.37Å; E271-T366 HydrophobicContact CB-CG2 4.48Å; Q362-T366 WeakPolarHBondContact O-CB 3.28Å; Q362-T366 PolarHBondContact O-N 2.83Å; Q362-T366 PolarHBondContact O-OG1 3.1Å; R363-T366 PolarHBondContact O-N 3.39Å; R363-T366 VanDerWaalsContact O-N 3.14Å; L364-T366 VanDerWaalsContact C-N 3.28Å; L364-T366 PolarHBondContact O-N 3.27Å; T366-L368 PolarHBondContact O-N 2.98Å; T366-S369 PolarHBondContact O-N 3.15Å; T366-S369 PolarHBondContact O-OG 2.79Å; T366-R370 WeakPolarHBondContact O-CG 3.18Å; T366-R370 PolarHBondContact O-N 2.81Å
367I98Very high98Very high1 Ų124.7 Ų24.71%0.00514%0.137CC..Hα-helixtrans-53.8-51178.5-69.7167.3000110.6V270 V294 R363 L364 S369 R370 T372 G373 V374V270-I367 HydrophobicContact CG1-CG1 4.39Å; V294-I367 HydrophobicContact CB-CD1 3.92Å; V294-I367 HydrophobicContact CB-CG1 3.95Å; V294-I367 HydrophobicContact CB-CG2 3.87Å; V294-I367 HydrophobicContact CG1-CD1 3.74Å; V294-I367 HydrophobicContact CG1-CG1 3.82Å; V294-I367 HydrophobicContact CG2-CG1 4.38Å; V294-I367 HydrophobicContact CG2-CG2 3.95Å; R363-I367 HydrophobicContact CB-CD1 4.25Å; R363-I367 WeakPolarHBondContact O-CB 3.5Å; R363-I367 WeakPolarHBondContact O-CD1 3.47Å; R363-I367 WeakPolarHBondContact O-CG1 3.48Å; R363-I367 PolarHBondContact O-N 2.85Å; L364-I367 PolarHBondContact O-N 2.92Å; I367-S369 PolarHBondContact O-N 2.91Å; I367-R370 PolarHBondContact O-N 3.44Å; I367-R370 VanDerWaalsContact O-N 3.13Å; I367-T372 PolarHBondContact O-OG1 3.34Å; I367-T372 PolarHBondContact O-N 2.9Å; I367-T372 WeakPolarHBondContact CG2-OG1 3.32Å; I367-G373 VanDerWaalsContact CG2-O 3.29Å; I367-G373 WeakPolarHBondContact CG2-O 3.47Å; I367-V374 HydrophobicContact CG2-CG2 3.93Å
368L97.3Very high98Very high52 Ų5224 Ų2427%0.27213%0.134SC..Hα-helixtrans-67.6-38.7-178.1-63.3170.2000112L71 A73 L364 T366 R370 G371L71-L368 HydrophobicContact CD1-CD1 4.31Å; L71-L368 HydrophobicContact CD2-CD1 3.53Å; L71-L368 HydrophobicContact CG-CD1 4.41Å; A73-L368 HydrophobicContact CB-CD2 3.3Å; L364-L368 HydrophobicContact CB-CD1 4.38Å; L364-L368 VanDerWaalsContact O-CB 3.24Å; L364-L368 WeakPolarHBondContact O-CB 3.5Å; L364-L368 WeakPolarHBondContact O-CD1 3.34Å; L364-L368 WeakPolarHBondContact O-CG 3.19Å; L364-L368 PolarHBondContact O-N 2.99Å; T366-L368 PolarHBondContact O-N 2.98Å; L368-R370 PolarHBondContact O-N 2.85Å; L368-R370 VanDerWaalsContact O-N 3.13Å; L368-G371 PolarHBondContact O-N 3.26Å
369S97.2Very high98Very high71 Ų7122.8 Ų22.850%0.49713%0.128SC..Hα-helixtrans-63.9-17.2175.776.90000113.4Q365 T366 I367Q365-S369 PolarHBondContact O-OG 3.42Å; Q365-S369 PolarHBondContact O-N 2.85Å; Q365-S369 WeakPolarHBondContact O-CB 3.44Å; T366-S369 PolarHBondContact O-N 3.15Å; T366-S369 PolarHBondContact O-OG 2.79Å; I367-S369 PolarHBondContact O-N 2.91Å
370R97.2Very high98Very high63 Ų6323.1 Ų23.124%0.23813%0.131CC..THydrogen-bonded Turntrans-90.3-3.2173.7-59.3-62.3174.5-93.2-2.8112.6E271 I274 R289 T366 I367 L368 T372E271-R370 IonicContact OE1-CZ 2.91Å; E271-R370 IonicContact OE1-NE 3.18Å; E271-R370 PolarHBondContact OE1-NE 3.19Å; E271-R370 IonicContact OE1-NH2 3.32Å; E271-R370 PolarHBondContact OE1-NH2 3.01Å; E271-R370 IonicContact OE2-CZ 3.59Å; E271-R370 IonicContact OE2-NH2 3.23Å; E271-R370 PolarHBondContact OE2-NH2 2.86Å; E271-R370 VanDerWaalsContact OE2-NH2 3.1Å; I274-R370 HydrophobicContact CD1-CB 4.42Å; I274-R370 HydrophobicContact CD1-CG 4.41Å; I274-R370 HydrophobicContact CG2-CB 4.26Å; R289-R370 WeakPolarHBondContact CD-O 3.5Å; R289-R370 PolarHBondContact NH1-O 3.22Å; T366-R370 WeakPolarHBondContact O-CG 3.18Å; T366-R370 PolarHBondContact O-N 2.81Å; I367-R370 PolarHBondContact O-N 3.44Å; I367-R370 VanDerWaalsContact O-N 3.13Å; L368-R370 PolarHBondContact O-N 2.85Å; L368-R370 VanDerWaalsContact O-N 3.13Å; R370-T372 HydrophobicContact CB-CG2 4.38Å
371G97.7Very high98Very high39 Ų3924.3 Ų24.340%0.40214%0.136SC..THydrogen-bonded Turntrans78.424.417900000113.7R289 R290 L368R289-G371 CarbonylContact C-O 3.59Å; R290-G371 PolarHBondContact N-O 3.01Å; L368-G371 PolarHBondContact O-N 3.26Å
372T98.6Very high98Very high3 Ų323.8 Ų23.82%0.01813%0.133CC..  trans-102.3162.7179.861.90000111.4I274 R289 I292 V294 I367 R370I274-T372 HydrophobicContact CD1-CG2 4.46Å; I274-T372 HydrophobicContact CG2-CG2 3.88Å; R289-T372 HydrophobicContact CB-CG2 3.94Å; R289-T372 HydrophobicContact CG-CG2 4.43Å; R289-T372 VanDerWaalsContact O-CA 3.32Å; R289-T372 WeakPolarHBondContact O-CA 3.43Å; R289-T372 WeakPolarHBondContact O-CG2 3.4Å; I292-T372 HydrophobicContact CB-CG2 4.17Å; I292-T372 HydrophobicContact CG2-CG2 4.5Å; I292-T372 WeakPolarHBondContact O-CB 3.33Å; V294-T372 HydrophobicContact CG2-CG2 4.28Å; V294-T372 WeakPolarHBondContact CG2-OG1 3.37Å; I367-T372 PolarHBondContact O-OG1 3.34Å; I367-T372 PolarHBondContact O-N 2.9Å; I367-T372 WeakPolarHBondContact CG2-OG1 3.32Å; R370-T372 HydrophobicContact CB-CG2 4.38Å
373G98.7Very high98Very high2 Ų222.1 Ų22.12%0.02113%0.125CC..EExtended strand (participates in β ladder)trans-91.1-172.7167.800000112.4T74 I292 V294 I367T74-G373 CarbonylContact O-C 3.55Å; T74-G373 VanDerWaalsContact O-CA 3.23Å; T74-G373 WeakPolarHBondContact O-CA 3.46Å; I292-G373 PolarHBondContact O-N 2.76Å; V294-G373 PolarHBondContact N-O 3.2Å; I367-G373 VanDerWaalsContact CG2-O 3.29Å; I367-G373 WeakPolarHBondContact CG2-O 3.47Å
374V98.7Very high97.9Very high0 Ų024.5 Ų24.50%014%0.138CC..EExtended strand (participates in β ladder)trans-128.4139.7-175.8-176.20000110.1T74 V75 L76 V294 L296 L364 I367 I376 F390T74-V374 PolarHBondContact O-N 3.1Å; V75-V374 WeakPolarHBondContact CA-O 3.43Å; L76-V374 PolarHBondContact N-O 3.4Å; V294-V374 WeakPolarHBondContact O-CA 3.41Å; L296-V374 HydrophobicContact CB-CG1 3.81Å; L296-V374 HydrophobicContact CD2-CG1 3.87Å; L364-V374 HydrophobicContact CD2-CG2 3.67Å; L364-V374 HydrophobicContact CD2-CG1 4.31Å; I367-V374 HydrophobicContact CG2-CG2 3.93Å; V374-I376 HydrophobicContact CG1-CG1 4.02Å; V374-F390 HydrophobicContact CG1-CE1 4.45Å
375S98.8Very high97.8Very high1 Ų124.3 Ų24.31%0.00714%0.138CC..EExtended strand (participates in β ladder)trans-120.6113.7166.461.20000110.3L76 S249 L293 V294 G295 L296L76-S375 CarbonylContact O-C 3.58Å; L76-S375 WeakPolarHBondContact O-CA 3.21Å; S249-S375 WeakPolarHBondContact OG-CB 3.36Å; S249-S375 PolarHBondContact OG-OG 3.44Å; L293-S375 PolarHBondContact O-OG 3.29Å; V294-S375 PolarHBondContact O-N 3.3Å; G295-S375 CarbonylContact C-O 3.6Å; G295-S375 WeakPolarHBondContact CA-O 3.4Å; G295-S375 WeakPolarHBondContact CA-OG 3.07Å; G295-S375 PolarHBondContact N-OG 3.41Å; L296-S375 PolarHBondContact N-O 3.48Å
376I98.8Very high97.8Very high0 Ų019 Ų190%011%0.113CC..EExtended strand (participates in β ladder)trans-90.2119.6-174.1-52.5171.3000110.1V75 L76 Y78 F97 L296 F298 V374 I379 F390V75-I376 HydrophobicContact CG1-CD1 3.87Å; V75-I376 HydrophobicContact CG1-CG1 4.34Å; L76-I376 PolarHBondContact O-N 3.42Å; Y78-I376 WeakPolarHBondContact CD2-O 3.18Å; Y78-I376 PolarHBondContact N-O 3.11Å; Y78-I376 VanDerWaalsContact N-O 3.14Å; F97-I376 HydrophobicContact CE1-CD1 4.01Å; L296-I376 WeakPolarHBondContact O-CA 3.21Å; F298-I376 HydrophobicContact CB-CG2 4.32Å; F298-I376 HydrophobicContact CD1-CG2 3.5Å; F298-I376 HydrophobicContact CD2-CG2 3.72Å; F298-I376 HydrophobicContact CE1-CG2 3.61Å; F298-I376 HydrophobicContact CE2-CG2 3.83Å; F298-I376 HydrophobicContact CG-CG2 3.57Å; F298-I376 HydrophobicContact CZ-CD1 4.25Å; F298-I376 HydrophobicContact CZ-CG2 3.77Å; V374-I376 HydrophobicContact CG1-CG1 4.02Å; I376-I379 HydrophobicContact CD1-CG2 4.33Å; I376-I379 HydrophobicContact CG2-CG2 3.85Å; I376-I379 HydrophobicContact CB-CG2 4.03Å; I376-F390 HydrophobicContact CD1-CD1 4.02Å; I376-F390 HydrophobicContact CD1-CE1 3.45Å; I376-F390 VanDerWaalsContact CD1-CE1 3.45Å; I376-F390 HydrophobicContact CD1-CZ 3.82Å; I376-F390 HydrophobicContact CG1-CE1 4.04Å; I376-F390 HydrophobicContact CG1-CZ 4.39Å
377W98.6Very high97.8Very high46 Ų4618.1 Ų18.117%0.17411%0.107CC..EExtended strand (participates in β ladder)trans-114.4111.3173.1-175.5-89.9000111.1Y78 T80 V103 Y253 L296 N297 F298 Y299Y78-W377 HydrophobicContact CD1-CE3 4.06Å; Y78-W377 AromaticContact CD1-CZ3 3.91Å; Y78-W377 HydrophobicContact CD1-CZ3 3.91Å; Y78-W377 AromaticContact CD2-CE3 3.81Å; Y78-W377 HydrophobicContact CD2-CE3 3.81Å; Y78-W377 HydrophobicContact CD2-CZ3 4.49Å; Y78-W377 HydrophobicContact CE1-CZ3 4.49Å; Y78-W377 HydrophobicContact CE2-CE3 4.43Å; Y78-W377 AromaticContact CG-CE3 3.59Å; Y78-W377 HydrophobicContact CG-CE3 3.59Å; Y78-W377 AromaticContact CG-CZ3 3.9Å; Y78-W377 HydrophobicContact CG-CZ3 3.9Å; T80-W377 HydrophobicContact CG2-CH2 4.36Å; V103-W377 HydrophobicContact CG1-CH2 4.43Å; V103-W377 HydrophobicContact CG2-CH2 4.2Å; V103-W377 HydrophobicContact CG2-CZ3 3.92Å; Y253-W377 HydrophobicContact CE1-CB 3.9Å; Y253-W377 HydrophobicContact CE1-CG 4.5Å; L296-W377 PolarHBondContact O-N 2.89Å; N297-W377 WeakPolarHBondContact CA-O 3.45Å; F298-W377 PolarHBondContact N-O 3.14Å; Y299-W377 AromaticContact CE1-CD1 3.64Å
378E97.3Very high97.6Very high0 Ų020 Ų200%012%0.12CC..  cis-121.8158.7-2570.579.3-15500110T80 N83 F298 G380 Q381T80-E378 HydrophobicContact CG2-CG 3.98Å; N83-E378 PolarHBondContact ND2-OE1 2.88Å; F298-E378 WeakPolarHBondContact CB-O 3.25Å; E378-G380 PolarHBondContact OE2-N 2.82Å; E378-G380 PolarHBondContact OE1-N 3.09Å; E378-G380 VanDerWaalsContact OE1-CA 3.32Å; E378-G380 PolarHBondContact O-N 3.48Å; E378-G380 VanDerWaalsContact CD-N 3.27Å; E378-G380 WeakPolarHBondContact OE1-CA 3.49Å; E378-Q381 HydrophobicContact CG-CG 3.89Å; E378-Q381 VanDerWaalsContact N-OE1 3.14Å; E378-Q381 WeakPolarHBondContact O-CB 3.38Å; E378-Q381 PolarHBondContact O-N 2.92Å; E378-Q381 WeakPolarHBondContact OE1-CG 3.43Å; E378-Q381 PolarHBondContact OE1-N 2.89Å
379I98.3Very high97.5Very high1 Ų119.1 Ų19.11%0.00512%0.116CC..THydrogen-bonded Turntrans-66.7-19-162.770.9-176.9000113.5A77 Y78 V79 V89 A90 F97 I376 Q381 Y387A77-I379 HydrophobicContact CB-CD1 4.1Å; A77-I379 HydrophobicContact CB-CG2 3.57Å; Y78-I379 WeakPolarHBondContact O-CG1 3.44Å; Y78-I379 PolarHBondContact O-N 3.45Å; V79-I379 HydrophobicContact CG2-CD1 3.46Å; V79-I379 VanDerWaalsContact CG2-CD1 3.46Å; V79-I379 HydrophobicContact CG2-CG1 3.92Å; V89-I379 HydrophobicContact CB-CD1 4.46Å; V89-I379 HydrophobicContact CB-CG1 4.32Å; V89-I379 HydrophobicContact CG1-CB 3.82Å; V89-I379 HydrophobicContact CG1-CD1 3.85Å; V89-I379 HydrophobicContact CG1-CG1 3.8Å; A90-I379 HydrophobicContact CB-CD1 4.09Å; F97-I379 HydrophobicContact CE2-CD1 4.05Å; F97-I379 HydrophobicContact CZ-CD1 4.43Å; F97-I379 HydrophobicContact CZ-CG2 4.26Å; I376-I379 HydrophobicContact CD1-CG2 4.33Å; I376-I379 HydrophobicContact CG2-CG2 3.85Å; I376-I379 HydrophobicContact CB-CG2 4.03Å; I379-Q381 VanDerWaalsContact C-N 3.34Å; I379-Y387 VanDerWaalsContact C-OH 3.31Å; I379-Y387 PolarHBondContact O-OH 3.29Å; I379-Y387 WeakPolarHBondContact CB-OH 3.1Å; I379-Y387 WeakPolarHBondContact CA-OH 3.49Å
380G98Very high97.4Very high6 Ų615.8 Ų15.86%0.0629%0.092CC..THydrogen-bonded Turntrans-79-7.2172.100000115.7N83 E378N83-G380 WeakPolarHBondContact ND2-CA 3.37Å; N83-G380 PolarHBondContact ND2-O 3.41Å; E378-G380 PolarHBondContact OE2-N 2.82Å; E378-G380 PolarHBondContact OE1-N 3.09Å; E378-G380 VanDerWaalsContact OE1-CA 3.32Å; E378-G380 PolarHBondContact O-N 3.48Å; E378-G380 VanDerWaalsContact CD-N 3.27Å; E378-G380 WeakPolarHBondContact OE1-CA 3.49Å
381Q98.3Very high97.4Very high25 Ų2513.4 Ų13.412%0.1179%0.085CC..THydrogen-bonded Turntrans-94.5-23.5-174-68.7172.1-16.800113.9F298 R314 G315 E378 I379F298-Q381 HydrophobicContact CB-CB 4.2Å; F298-Q381 CarbonylContact O-C 3.37Å; F298-Q381 VanDerWaalsContact O-O 3.07Å; R314-Q381 HydrophobicContact CG-CB 4.24Å; R314-Q381 HydrophobicContact CG-CG 4.04Å; G315-Q381 PolarHBondContact N-O 2.87Å; E378-Q381 HydrophobicContact CG-CG 3.89Å; E378-Q381 VanDerWaalsContact N-OE1 3.14Å; E378-Q381 WeakPolarHBondContact O-CB 3.38Å; E378-Q381 PolarHBondContact O-N 2.92Å; E378-Q381 WeakPolarHBondContact OE1-CG 3.43Å; E378-Q381 PolarHBondContact OE1-N 2.89Å; I379-Q381 VanDerWaalsContact C-N 3.34Å
382G97.8Very high97.4Very high11 Ų1112.1 Ų12.111%0.1137%0.068CC..SBendtrans-83.1-172.5-173.800000113.7F298F298-G382 VanDerWaalsContact O-CA 3.29Å; F298-G382 WeakPolarHBondContact O-CA 3.28Å; F298-G382 PolarHBondContact O-N 3.35Å
383L97.8Very high97.3Very high4 Ų412.6 Ų12.62%0.0217%0.071CC..  trans-95.1146.2170.4-59.5172.2000109.9F54 H58 I319 Y354 S385 F386F54-L383 HydrophobicContact CE2-CD1 3.65Å; F54-L383 HydrophobicContact CZ-CD1 3.86Å; H58-L383 HydrophobicContact CB-CD1 4.13Å; H58-L383 HydrophobicContact CB-CD2 4.18Å; I319-L383 HydrophobicContact CD1-CD2 4.04Å; I319-L383 HydrophobicContact CG1-CD2 3.9Å; Y354-L383 HydrophobicContact CE1-CD1 4.09Å; Y354-L383 HydrophobicContact CE1-CG 4.42Å; L383-S385 PolarHBondContact O-N 3.39Å; L383-F386 PolarHBondContact O-N 3.02Å; L383-F386 WeakPolarHBondContact O-CG 3.34Å; L383-F386 WeakPolarHBondContact O-CB 3.33Å; L383-F386 VanDerWaalsContact O-CB 3.28Å; L383-F386 HydrophobicContact CG-CZ 4.03Å; L383-F386 HydrophobicContact CG-CE1 4.13Å; L383-F386 HydrophobicContact CD1-CE1 3.91Å; L383-F386 HydrophobicContact CB-CZ 4.05Å; L383-F386 HydrophobicContact CB-CG 4.46Å; L383-F386 HydrophobicContact CB-CE2 4.49Å; L383-F386 HydrophobicContact CB-CE1 3.83Å; L383-F386 HydrophobicContact CB-CD1 4.06Å; L383-F386 HydrophobicContact CD1-CZ 4.07Å
384N96.6Very high97.2Very high52 Ų5213.2 Ų13.228%0.2787%0.074SC..G310 helixtrans-59.8-31.2179.7-69.5-12.5000112.9Y61 F386 Y387Y61-N384 HydrophobicContact CD1-CB 3.94Å; Y61-N384 HydrophobicContact CE1-CB 4.33Å; N384-F386 PolarHBondContact O-N 2.86Å; N384-F386 VanDerWaalsContact O-N 3.12Å; N384-Y387 VanDerWaalsContact O-CD2 3.32Å; N384-Y387 WeakPolarHBondContact O-CD2 3.42Å; N384-Y387 PolarHBondContact O-N 2.81Å; N384-Y387 VanDerWaalsContact O-N 3.1Å
385S96.3Very high97.1Very high3 Ų314 Ų142%0.0218%0.079CC..G310 helixtrans-55.5-26.117448.70000113.9H58 S60 L357 L383 Y387 S388H58-S385 VanDerWaalsContact O-CB 3.29Å; H58-S385 WeakPolarHBondContact O-CB 3.41Å; H58-S385 PolarHBondContact O-N 3.15Å; H58-S385 VanDerWaalsContact O-N 3.13Å; H58-S385 PolarHBondContact O-OG 2.91Å; S60-S385 VanDerWaalsContact O-CA 3.24Å; S60-S385 WeakPolarHBondContact O-CA 3.29Å; L357-S385 WeakPolarHBondContact CD1-O 3.38Å; L383-S385 PolarHBondContact O-N 3.39Å; S385-Y387 PolarHBondContact O-N 2.9Å; S385-S388 WeakPolarHBondContact O-CB 3.36Å; S385-S388 PolarHBondContact O-N 3.29Å; S385-S388 PolarHBondContact O-OG 3.04Å
386F97.4Very high97Very high0 Ų014.9 Ų14.90%08%0.083CC..G310 helixtrans-60.9-34.6178-63.6-3.6000111.8F298 Y354 P355 L357 I360 L383 N384 S388 L389 F390F298-F386 HydrophobicContact CD1-CD2 4.12Å; F298-F386 HydrophobicContact CD2-CD2 4.04Å; F298-F386 HydrophobicContact CE1-CD2 4.01Å; F298-F386 HydrophobicContact CE2-CB 4.09Å; F298-F386 AromaticContact CE2-CD2 3.91Å; F298-F386 HydrophobicContact CE2-CD2 3.91Å; F298-F386 HydrophobicContact CG-CD2 4.14Å; F298-F386 HydrophobicContact CZ-CB 3.87Å; F298-F386 AromaticContact CZ-CD2 3.91Å; F298-F386 HydrophobicContact CZ-CD2 3.91Å; F298-F386 HydrophobicContact CZ-CG 4.4Å; Y354-F386 AromaticContact CE1-CZ 3.87Å; Y354-F386 HydrophobicContact CE1-CZ 3.87Å; P355-F386 WeakPolarHBondContact O-CE2 3.29Å; P355-F386 WeakPolarHBondContact O-CZ 3.23Å; L357-F386 HydrophobicContact CB-CD1 4.25Å; L357-F386 HydrophobicContact CB-CE1 4.24Å; L357-F386 HydrophobicContact CD1-CD1 3.87Å; I360-F386 HydrophobicContact CD1-CD2 4.32Å; I360-F386 HydrophobicContact CD1-CE2 4.33Å; I360-F386 HydrophobicContact CG1-CD1 4.22Å; I360-F386 HydrophobicContact CG1-CD2 3.88Å; I360-F386 HydrophobicContact CG1-CE1 4.3Å; I360-F386 HydrophobicContact CG1-CE2 3.96Å; I360-F386 HydrophobicContact CG1-CG 4.03Å; I360-F386 HydrophobicContact CG1-CZ 4.19Å; L383-F386 PolarHBondContact O-N 3.02Å; L383-F386 WeakPolarHBondContact O-CG 3.34Å; L383-F386 WeakPolarHBondContact O-CB 3.33Å; L383-F386 VanDerWaalsContact O-CB 3.28Å; L383-F386 HydrophobicContact CG-CZ 4.03Å; L383-F386 HydrophobicContact CG-CE1 4.13Å; L383-F386 HydrophobicContact CD1-CE1 3.91Å; L383-F386 HydrophobicContact CB-CZ 4.05Å; L383-F386 HydrophobicContact CB-CG 4.46Å; L383-F386 HydrophobicContact CB-CE2 4.49Å; L383-F386 HydrophobicContact CB-CE1 3.83Å; L383-F386 HydrophobicContact CB-CD1 4.06Å; L383-F386 HydrophobicContact CD1-CZ 4.07Å; N384-F386 PolarHBondContact O-N 2.86Å; N384-F386 VanDerWaalsContact O-N 3.12Å; F386-S388 PolarHBondContact O-N 2.93Å; F386-S388 VanDerWaalsContact O-N 3.17Å; F386-L389 WeakPolarHBondContact O-CB 3.41Å; F386-L389 PolarHBondContact O-N 2.62Å; F386-L389 VanDerWaalsContact O-N 3.08Å; F386-F390 WeakPolarHBondContact O-CD2 3.37Å; F386-F390 WeakPolarHBondContact O-CE2 3.34Å
387Y96.4Very high96.9Very high1 Ų115.9 Ų15.90%0.0049%0.089CC..G310 helixtrans-68.6-13.6-176.9-61.7-66.7000114.2V89 F93 K96 F97 F298 I379 N384 S385 L389 F390V89-Y387 HydrophobicContact CG1-CE1 3.83Å; V89-Y387 HydrophobicContact CG1-CE2 3.71Å; V89-Y387 VanDerWaalsContact CG1-OH 3.22Å; V89-Y387 WeakPolarHBondContact CG1-OH 3.25Å; V89-Y387 HydrophobicContact CG2-CE2 4.05Å; F93-Y387 HydrophobicContact CB-CD1 4.14Å; F93-Y387 HydrophobicContact CB-CG 4.24Å; F93-Y387 VanDerWaalsContact CD1-CB 3.5Å; F93-Y387 HydrophobicContact CD1-CD2 4.35Å; F93-Y387 AromaticContact CD1-CG 3.9Å; F93-Y387 HydrophobicContact CD1-CG 3.9Å; F93-Y387 HydrophobicContact CD2-CD1 4.2Å; F93-Y387 AromaticContact CD2-CD2 3.47Å; F93-Y387 HydrophobicContact CD2-CD2 3.47Å; F93-Y387 VanDerWaalsContact CD2-CD2 3.47Å; F93-Y387 AromaticContact CD2-CE2 3.94Å; F93-Y387 HydrophobicContact CD2-CE2 3.94Å; F93-Y387 AromaticContact CD2-CG 3.65Å; F93-Y387 HydrophobicContact CD2-CG 3.65Å; F93-Y387 HydrophobicContact CE1-CD2 4.24Å; F93-Y387 HydrophobicContact CE1-CG 4.09Å; F93-Y387 AromaticContact CE2-CD2 3.32Å; F93-Y387 HydrophobicContact CE2-CD2 3.32Å; F93-Y387 AromaticContact CE2-CE2 3.94Å; F93-Y387 HydrophobicContact CE2-CE2 3.94Å; F93-Y387 AromaticContact CE2-CG 3.86Å; F93-Y387 HydrophobicContact CE2-CG 3.86Å; F93-Y387 HydrophobicContact CG-CD1 4.06Å; F93-Y387 AromaticContact CG-CD2 3.98Å; F93-Y387 HydrophobicContact CG-CD2 3.98Å; F93-Y387 AromaticContact CG-CG 3.65Å; F93-Y387 HydrophobicContact CG-CG 3.65Å; F93-Y387 AromaticContact CZ-CD2 3.73Å; F93-Y387 HydrophobicContact CZ-CD2 3.73Å; F93-Y387 HydrophobicContact CZ-CG 4.06Å; K96-Y387 WeakPolarHBondContact CD-O 3.46Å; K96-Y387 WeakPolarHBondContact CE-O 3.5Å; K96-Y387 PolarHBondContact NZ-O 3.1Å; F97-Y387 HydrophobicContact CE1-CE1 4.32Å; F97-Y387 HydrophobicContact CZ-CD1 4.16Å; F97-Y387 AromaticContact CZ-CE1 3.82Å; F97-Y387 HydrophobicContact CZ-CE1 3.82Å; F298-Y387 AromaticContact CE2-CE1 3.81Å; F298-Y387 HydrophobicContact CE2-CE1 3.81Å; F298-Y387 HydrophobicContact CE2-CE2 4.5Å; F298-Y387 AromaticContact CE2-CZ 3.67Å; F298-Y387 VanDerWaalsContact CE2-OH 3.3Å; F298-Y387 WeakPolarHBondContact CE2-OH 3.41Å; F298-Y387 HydrophobicContact CZ-CE1 4.44Å; I379-Y387 VanDerWaalsContact C-OH 3.31Å; I379-Y387 PolarHBondContact O-OH 3.29Å; I379-Y387 WeakPolarHBondContact CB-OH 3.1Å; I379-Y387 WeakPolarHBondContact CA-OH 3.49Å; N384-Y387 VanDerWaalsContact O-CD2 3.32Å; N384-Y387 WeakPolarHBondContact O-CD2 3.42Å; N384-Y387 PolarHBondContact O-N 2.81Å; N384-Y387 VanDerWaalsContact O-N 3.1Å; S385-Y387 PolarHBondContact O-N 2.9Å; Y387-L389 PolarHBondContact O-N 2.81Å; Y387-F390 PolarHBondContact O-N 3.16Å
388S93.6Very high96.7Very high39 Ų3913.6 Ų13.627%0.2738%0.083SC..G310 helixtrans-62-23.1170.4660000112.7S385 F386S385-S388 WeakPolarHBondContact O-CB 3.36Å; S385-S388 PolarHBondContact O-N 3.29Å; S385-S388 PolarHBondContact O-OG 3.04Å; F386-S388 PolarHBondContact O-N 2.93Å; F386-S388 VanDerWaalsContact O-N 3.17Å
389L94.9Very high96.7Very high35 Ų3514.8 Ų14.818%0.1839%0.09CC..G310 helixtrans-87.9-7.7-177.3-57.4174.7000114.5P45 L71 L357 I360 A361 L364 F386 Y387P45-L389 HydrophobicContact CG-CD2 4.25Å; L71-L389 WeakPolarHBondContact CD2-O 3.48Å; L357-L389 HydrophobicContact CD1-CD1 3.46Å; L357-L389 VanDerWaalsContact CD1-CD1 3.46Å; L357-L389 HydrophobicContact CD1-CD2 4.49Å; L357-L389 HydrophobicContact CD1-CG 3.86Å; L357-L389 HydrophobicContact CG-CD1 4.3Å; I360-L389 HydrophobicContact CB-CD1 4.01Å; I360-L389 HydrophobicContact CG2-CD1 3.6Å; A361-L389 HydrophobicContact CB-CD1 3.87Å; A361-L389 HydrophobicContact CB-CD2 4.26Å; L364-L389 HydrophobicContact CD1-CD1 4.29Å; L364-L389 HydrophobicContact CD1-CB 3.67Å; F386-L389 WeakPolarHBondContact O-CB 3.41Å; F386-L389 PolarHBondContact O-N 2.62Å; F386-L389 VanDerWaalsContact O-N 3.08Å; Y387-L389 PolarHBondContact O-N 2.81Å
390F94.6Very high96.5Very high0 Ų016 Ų160%010%0.097CC..  trans-107.20-171.2-65.1-100.1000113.7N70 L71 V75 K96 L296 F298 I360 L364 V374 I376 F386 Y387N70-F390 PolarHBondContact N-O 3.41Å; N70-F390 PolarHBondContact N-OXT 3.24Å; L71-F390 HydrophobicContact CD1-CB 4.35Å; L71-F390 HydrophobicContact CD1-CD1 3.77Å; L71-F390 HydrophobicContact CD1-CE1 4.49Å; L71-F390 HydrophobicContact CD1-CG 4.27Å; L71-F390 WeakPolarHBondContact CG-OXT 3.45Å; L71-F390 PolarHBondContact N-OXT 3.26Å; V75-F390 HydrophobicContact CG1-CD1 4.23Å; K96-F390 HydrophobicContact CB-CB 4.11Å; K96-F390 HydrophobicContact CD-CB 4Å; K96-F390 PolarHBondContact NZ-O 2.71Å; L296-F390 HydrophobicContact CD2-CE1 4.07Å; L296-F390 HydrophobicContact CD2-CZ 3.63Å; F298-F390 HydrophobicContact CE1-CE2 4.32Å; F298-F390 AromaticContact CE1-CZ 3.94Å; F298-F390 HydrophobicContact CE1-CZ 3.94Å; F298-F390 AromaticContact CZ-CE2 3.73Å; F298-F390 HydrophobicContact CZ-CE2 3.73Å; F298-F390 AromaticContact CZ-CZ 3.67Å; F298-F390 HydrophobicContact CZ-CZ 3.67Å; I360-F390 HydrophobicContact CG2-CE2 4.12Å; I360-F390 HydrophobicContact CG2-CZ 4.24Å; L364-F390 HydrophobicContact CD1-CD2 4.35Å; L364-F390 HydrophobicContact CD1-CE1 4.09Å; L364-F390 HydrophobicContact CD1-CE2 3.94Å; L364-F390 HydrophobicContact CD1-CZ 3.81Å; L364-F390 HydrophobicContact CD2-CD1 4.46Å; L364-F390 HydrophobicContact CD2-CE1 3.8Å; L364-F390 HydrophobicContact CD2-CZ 4.11Å; L364-F390 HydrophobicContact CG-CZ 4.39Å; L364-F390 HydrophobicContact CD1-CD1 4.49Å; V374-F390 HydrophobicContact CG1-CE1 4.45Å; I376-F390 HydrophobicContact CD1-CD1 4.02Å; I376-F390 HydrophobicContact CD1-CE1 3.45Å; I376-F390 VanDerWaalsContact CD1-CE1 3.45Å; I376-F390 HydrophobicContact CD1-CZ 3.82Å; I376-F390 HydrophobicContact CG1-CE1 4.04Å; I376-F390 HydrophobicContact CG1-CZ 4.39Å; F386-F390 WeakPolarHBondContact O-CD2 3.37Å; F386-F390 WeakPolarHBondContact O-CE2 3.34Å; Y387-F390 PolarHBondContact O-N 3.16Å

Retrieved 390 of 390 residues in 461.6 ms (Link to these results)

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