A0A3Q0KTG4_SCHMA Loading...

MEG-11

AlphaFold DB , UniProt , Accession A0A3Q0KTG4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 74 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M60.9Low77.1Confident203 Ų203110.4 Ų110.4100%156%0.558SS**  0-43.30-68.8-172.2163.700114.2H5M1-H5 PolarHBondContact O-ND1 3.23Å
2K72.9Confident77.7Confident184 Ų184109.3 Ų109.380%0.855%0.554SS**Hα-helixtrans-65.1-39.4-178.9-65.1-178.8-180177.60114.3T4 H5 I6K2-T4 PolarHBondContact O-N 3.28Å; K2-H5 PolarHBondContact O-N 3.03Å; K2-I6 PolarHBondContact O-N 2.75Å
3L74.6Confident78.1Confident124 Ų124106.1 Ų106.165%0.64955%0.547SS*.Hα-helixtrans-63.8-39.1-178-170.7138.7000112.9H5 I6 L7L3-H5 VanDerWaalsContact C-N 3.31Å; L3-H5 PolarHBondContact O-N 2.91Å; L3-I6 PolarHBondContact O-N 3.3Å; L3-L7 HydrophobicContact CD2-CD1 3.68Å; L3-L7 HydrophobicContact CD2-CG 4.23Å; L3-L7 PolarHBondContact O-N 3Å
4T76.9Confident78.3Confident58 Ų58106.1 Ų106.136%0.35654%0.542SS..Hα-helixtrans-59.6-39.1176.9-44.30000112.6K2 L7 L8 Y73K2-T4 PolarHBondContact O-N 3.28Å; T4-L7 PolarHBondContact O-N 3.36Å; T4-L8 WeakPolarHBondContact O-CB 3.45Å; T4-L8 PolarHBondContact O-N 2.83Å; T4-Y73 WeakPolarHBondContact CG2-OH 3.33Å
5H74.6Confident78.4Confident119 Ų119104.6 Ų104.655%0.55154%0.535SS*.Hα-helixtrans-69.8-37.8178.8-67.976.7000111.6M1 K2 L3 L8 I9M1-H5 PolarHBondContact O-ND1 3.23Å; K2-H5 PolarHBondContact O-N 3.03Å; L3-H5 VanDerWaalsContact C-N 3.31Å; L3-H5 PolarHBondContact O-N 2.91Å; H5-L8 PolarHBondContact O-N 3.05Å; H5-I9 WeakPolarHBondContact O-CB 3.44Å; H5-I9 WeakPolarHBondContact O-CD1 3.27Å; H5-I9 WeakPolarHBondContact O-CG1 3.49Å; H5-I9 PolarHBondContact O-N 3.39Å
6I82.5Confident78.3Confident106 Ų106106.8 Ų106.854%0.54454%0.539SS..Hα-helixtrans-63.4-46.1175.8-63.5170000109.8K2 L3 L8 I9 C10K2-I6 PolarHBondContact O-N 2.75Å; L3-I6 PolarHBondContact O-N 3.3Å; I6-L8 VanDerWaalsContact C-N 3.34Å; I6-L8 PolarHBondContact O-N 2.82Å; I6-I9 PolarHBondContact O-N 2.97Å; I6-C10 WeakPolarHBondContact O-CB 3.29Å; I6-C10 PolarHBondContact O-N 3.19Å; I6-C10 PolarHBondContact O-SG 3.33Å
7L78.3Confident78.3Confident98 Ų98107.7 Ų107.751%0.51354%0.539SS..Hα-helixtrans-61-42.3175.9-71.1177000112.2L3 T4 C10 F11L3-L7 HydrophobicContact CD2-CD1 3.68Å; L3-L7 HydrophobicContact CD2-CG 4.23Å; L3-L7 PolarHBondContact O-N 3Å; T4-L7 PolarHBondContact O-N 3.36Å; L7-C10 PolarHBondContact O-N 3.49Å; L7-F11 VanDerWaalsContact O-CB 3.3Å; L7-F11 WeakPolarHBondContact O-CB 3.2Å; L7-F11 PolarHBondContact O-N 3.21Å
8L78Confident78Confident75 Ų75102.8 Ų102.839%0.39352%0.516SS..Hα-helixtrans-61.2-45.2176.5-169.382000111.6T4 H5 I6 F11 I12T4-L8 WeakPolarHBondContact O-CB 3.45Å; T4-L8 PolarHBondContact O-N 2.83Å; H5-L8 PolarHBondContact O-N 3.05Å; I6-L8 VanDerWaalsContact C-N 3.34Å; I6-L8 PolarHBondContact O-N 2.82Å; L8-F11 PolarHBondContact O-N 2.79Å; L8-I12 HydrophobicContact CD2-CD1 4.34Å; L8-I12 HydrophobicContact CG-CD1 3.99Å; L8-I12 VanDerWaalsContact O-CG1 3.3Å; L8-I12 WeakPolarHBondContact O-CG1 3.48Å; L8-I12 PolarHBondContact O-N 2.83Å
9I83.7Confident77.6Confident106 Ų106105.2 Ų105.254%0.54452%0.519SS..Hα-helixtrans-63.4-45.3177.5-68.8162.7000110.5H5 I6 F11 I12 S13H5-I9 WeakPolarHBondContact O-CB 3.44Å; H5-I9 WeakPolarHBondContact O-CD1 3.27Å; H5-I9 WeakPolarHBondContact O-CG1 3.49Å; H5-I9 PolarHBondContact O-N 3.39Å; I6-I9 PolarHBondContact O-N 2.97Å; I9-F11 VanDerWaalsContact C-N 3.31Å; I9-F11 PolarHBondContact O-N 2.96Å; I9-I12 PolarHBondContact O-N 3.5Å; I9-S13 WeakPolarHBondContact O-CB 3.12Å; I9-S13 PolarHBondContact O-N 3.48Å; I9-S13 PolarHBondContact O-OG 2.72Å
10C85.3Confident77.1Confident74 Ų74104 Ų10450%0.552%0.518SS..Hα-helixtrans-59.6-42.5175.6-69.60000111.5I6 L7 S13 F14I6-C10 WeakPolarHBondContact O-CB 3.29Å; I6-C10 PolarHBondContact O-N 3.19Å; I6-C10 PolarHBondContact O-SG 3.33Å; L7-C10 PolarHBondContact O-N 3.49Å; C10-S13 PolarHBondContact O-N 3.15Å; C10-F14 WeakPolarHBondContact O-CB 3.35Å; C10-F14 PolarHBondContact O-N 2.78Å
11F80.9Confident76.6Confident67 Ų67104.1 Ų104.129%0.29452%0.517SS..Hα-helixtrans-65.8-47.5179.2-178-106.5000112.3L7 L8 I9 S13 F14 L15 A65 F69L7-F11 VanDerWaalsContact O-CB 3.3Å; L7-F11 WeakPolarHBondContact O-CB 3.2Å; L7-F11 PolarHBondContact O-N 3.21Å; L8-F11 PolarHBondContact O-N 2.79Å; I9-F11 VanDerWaalsContact C-N 3.31Å; I9-F11 PolarHBondContact O-N 2.96Å; F11-S13 VanDerWaalsContact C-N 3.3Å; F11-S13 PolarHBondContact O-N 2.88Å; F11-F14 PolarHBondContact O-N 3.43Å; F11-L15 HydrophobicContact CD1-CD1 3.86Å; F11-L15 HydrophobicContact CD1-CG 4.38Å; F11-L15 HydrophobicContact CE1-CD1 3.35Å; F11-L15 HydrophobicContact CE1-CG 4.05Å; F11-L15 HydrophobicContact CE2-CG 4.39Å; F11-L15 HydrophobicContact CZ-CD1 3.73Å; F11-L15 HydrophobicContact CZ-CD2 4.22Å; F11-L15 HydrophobicContact CZ-CG 4.04Å; F11-L15 WeakPolarHBondContact O-CG 3.39Å; F11-L15 PolarHBondContact O-N 3.47Å; F11-A65 HydrophobicContact CD2-CB 4.44Å; F11-A65 HydrophobicContact CE2-CB 3.69Å; F11-A65 HydrophobicContact CZ-CB 4.38Å; F11-F69 HydrophobicContact CD1-CE2 4.44Å; F11-F69 HydrophobicContact CE1-CE2 4.22Å; F11-F69 HydrophobicContact CZ-CE2 4.33Å
12I83.5Confident76.6Confident98 Ų9895.8 Ų95.850%0.50348%0.479SS..Hα-helixtrans-61.6-41.3176.2-66.7166.9000110.6L8 I9 L15 F16L8-I12 HydrophobicContact CD2-CD1 4.34Å; L8-I12 HydrophobicContact CG-CD1 3.99Å; L8-I12 VanDerWaalsContact O-CG1 3.3Å; L8-I12 WeakPolarHBondContact O-CG1 3.48Å; L8-I12 PolarHBondContact O-N 2.83Å; I9-I12 PolarHBondContact O-N 3.5Å; I12-L15 PolarHBondContact O-N 2.9Å; I12-F16 WeakPolarHBondContact O-CB 3.33Å; I12-F16 PolarHBondContact O-N 2.9Å
13S83.7Confident75.9Confident67 Ų6792.4 Ų92.447%0.46947%0.469SS..Hα-helixtrans-64.6-40.9177.8-55.50000111.7I9 C10 F11 F16 F17I9-S13 WeakPolarHBondContact O-CB 3.12Å; I9-S13 PolarHBondContact O-N 3.48Å; I9-S13 PolarHBondContact O-OG 2.72Å; C10-S13 PolarHBondContact O-N 3.15Å; F11-S13 VanDerWaalsContact C-N 3.3Å; F11-S13 PolarHBondContact O-N 2.88Å; S13-F16 PolarHBondContact O-N 3.25Å; S13-F17 WeakPolarHBondContact O-CB 3.38Å; S13-F17 PolarHBondContact O-N 2.9Å
14F81.2Confident74.9Confident107 Ų10789.8 Ų89.847%0.46947%0.472SS..Hα-helixtrans-64.2-48.5175.4-176.6-95.8000111.2C10 F11 F16 F17 T18 A61C10-F14 WeakPolarHBondContact O-CB 3.35Å; C10-F14 PolarHBondContact O-N 2.78Å; F11-F14 PolarHBondContact O-N 3.43Å; F14-F16 VanDerWaalsContact C-N 3.31Å; F14-F16 PolarHBondContact O-N 2.93Å; F14-F17 PolarHBondContact O-N 3.44Å; F14-T18 HydrophobicContact CD1-CG2 4.03Å; F14-T18 HydrophobicContact CE1-CG2 3.6Å; F14-T18 HydrophobicContact CE2-CG2 4.18Å; F14-T18 HydrophobicContact CG-CG2 4.5Å; F14-T18 HydrophobicContact CZ-CG2 3.68Å; F14-T18 WeakPolarHBondContact O-CG2 3.23Å; F14-T18 PolarHBondContact O-N 3.4Å; F14-T18 PolarHBondContact O-OG1 3.42Å; F14-A61 HydrophobicContact CE1-CB 4.41Å
15L78.8Confident73.9Confident83 Ų8393.5 Ų93.544%0.43549%0.49SS..Hα-helixtrans-56.7-44.2175.7-75.5-179.9000112.1F11 I12 T18 Y19F11-L15 HydrophobicContact CD1-CD1 3.86Å; F11-L15 HydrophobicContact CD1-CG 4.38Å; F11-L15 HydrophobicContact CE1-CD1 3.35Å; F11-L15 HydrophobicContact CE1-CG 4.05Å; F11-L15 HydrophobicContact CE2-CG 4.39Å; F11-L15 HydrophobicContact CZ-CD1 3.73Å; F11-L15 HydrophobicContact CZ-CD2 4.22Å; F11-L15 HydrophobicContact CZ-CG 4.04Å; F11-L15 WeakPolarHBondContact O-CG 3.39Å; F11-L15 PolarHBondContact O-N 3.47Å; I12-L15 PolarHBondContact O-N 2.9Å; L15-T18 WeakPolarHBondContact CA-OG1 3.49Å; L15-T18 PolarHBondContact O-N 3.38Å; L15-T18 PolarHBondContact O-OG1 2.91Å; L15-Y19 WeakPolarHBondContact O-CB 3.46Å; L15-Y19 PolarHBondContact O-N 2.9Å
16F77.4Confident72.9Confident140 Ų14096.3 Ų96.361%0.61450%0.497SS*.Hα-helixtrans-64.6-43.5178-174.2-97.6000111.4I12 S13 F14 Y19 V20I12-F16 WeakPolarHBondContact O-CB 3.33Å; I12-F16 PolarHBondContact O-N 2.9Å; S13-F16 PolarHBondContact O-N 3.25Å; F14-F16 VanDerWaalsContact C-N 3.31Å; F14-F16 PolarHBondContact O-N 2.93Å; F16-Y19 PolarHBondContact O-N 3.46Å; F16-V20 HydrophobicContact CD1-CG2 4.13Å; F16-V20 HydrophobicContact CE1-CG2 3.77Å; F16-V20 HydrophobicContact CE2-CG2 4.43Å; F16-V20 HydrophobicContact CZ-CG2 3.93Å; F16-V20 WeakPolarHBondContact O-CB 3.44Å; F16-V20 VanDerWaalsContact O-CG2 3.27Å; F16-V20 WeakPolarHBondContact O-CG2 3.48Å; F16-V20 PolarHBondContact O-N 3.36Å
17F77.8Confident71.3Confident122 Ų122100.8 Ų100.854%0.53552%0.515SS..Hα-helixtrans-66.1-42.8178.2-169-102.2000112S13 F14 Y19 V20 Q21S13-F17 WeakPolarHBondContact O-CB 3.38Å; S13-F17 PolarHBondContact O-N 2.9Å; F14-F17 PolarHBondContact O-N 3.44Å; F17-Y19 VanDerWaalsContact C-N 3.35Å; F17-V20 PolarHBondContact O-N 2.88Å; F17-Q21 VanDerWaalsContact CE1-CD 3.48Å; F17-Q21 HydrophobicContact CE1-CG 4.37Å; F17-Q21 WeakPolarHBondContact O-CB 3.42Å; F17-Q21 WeakPolarHBondContact O-CG 3.43Å; F17-Q21 PolarHBondContact O-N 3.27Å
18T73Confident69.8Low19 Ų19101 Ų10112%0.11753%0.525CS..Hα-helixtrans-65.9-38.6173.952.30000111.6F14 L15 Q21 C22 F58F14-T18 HydrophobicContact CD1-CG2 4.03Å; F14-T18 HydrophobicContact CE1-CG2 3.6Å; F14-T18 HydrophobicContact CE2-CG2 4.18Å; F14-T18 HydrophobicContact CG-CG2 4.5Å; F14-T18 HydrophobicContact CZ-CG2 3.68Å; F14-T18 WeakPolarHBondContact O-CG2 3.23Å; F14-T18 PolarHBondContact O-N 3.4Å; F14-T18 PolarHBondContact O-OG1 3.42Å; L15-T18 WeakPolarHBondContact CA-OG1 3.49Å; L15-T18 PolarHBondContact O-N 3.38Å; L15-T18 PolarHBondContact O-OG1 2.91Å; T18-Q21 PolarHBondContact O-N 3.03Å; T18-C22 WeakPolarHBondContact O-CB 3.34Å; T18-C22 PolarHBondContact O-N 3.03Å; T18-C22 PolarHBondContact O-SG 3.25Å; T18-F58 HydrophobicContact CG2-CE1 3.93Å
19Y71.5Confident68.4Low148 Ų148106.1 Ų106.158%0.5855%0.547SS*.Hα-helixtrans-62.8-47.5176.5-179.8-102.1000111L15 F16 F17 Q21 C22 D23L15-Y19 WeakPolarHBondContact O-CB 3.46Å; L15-Y19 PolarHBondContact O-N 2.9Å; F16-Y19 PolarHBondContact O-N 3.46Å; F17-Y19 VanDerWaalsContact C-N 3.35Å; Y19-Q21 VanDerWaalsContact C-N 3.29Å; Y19-Q21 PolarHBondContact O-N 3.27Å; Y19-C22 PolarHBondContact O-N 3.48Å; Y19-C22 VanDerWaalsContact O-N 3.15Å; Y19-D23 WeakPolarHBondContact O-CB 3.21Å; Y19-D23 PolarHBondContact O-N 3.09Å
20V66.6Low66.3Low81 Ų81109.8 Ų109.849%0.49156%0.562SS.*Hα-helixtrans-62-35.9176170.70000112.1F16 F17F16-V20 HydrophobicContact CD1-CG2 4.13Å; F16-V20 HydrophobicContact CE1-CG2 3.77Å; F16-V20 HydrophobicContact CE2-CG2 4.43Å; F16-V20 HydrophobicContact CZ-CG2 3.93Å; F16-V20 WeakPolarHBondContact O-CB 3.44Å; F16-V20 VanDerWaalsContact O-CG2 3.27Å; F16-V20 WeakPolarHBondContact O-CG2 3.48Å; F16-V20 PolarHBondContact O-N 3.36Å; F17-V20 PolarHBondContact O-N 2.88Å
21Q66.7Low64.5Low108 Ų108114.8 Ų114.851%0.50558%0.578SS.*Hα-helixtrans-73.2-35.4174.9-72.8-172.3-13.200112.6F17 T18 Y19F17-Q21 VanDerWaalsContact CE1-CD 3.48Å; F17-Q21 HydrophobicContact CE1-CG 4.37Å; F17-Q21 WeakPolarHBondContact O-CB 3.42Å; F17-Q21 WeakPolarHBondContact O-CG 3.43Å; F17-Q21 PolarHBondContact O-N 3.27Å; T18-Q21 PolarHBondContact O-N 3.03Å; Y19-Q21 VanDerWaalsContact C-N 3.29Å; Y19-Q21 PolarHBondContact O-N 3.27Å
22C61Low62.6Low28 Ų28119.8 Ų119.819%0.18960%0.602CS.*Hα-helixtrans-74.7-34.2178.4-77.20000112.7T18 Y19 G24 D25 Y26T18-C22 WeakPolarHBondContact O-CB 3.34Å; T18-C22 PolarHBondContact O-N 3.03Å; T18-C22 PolarHBondContact O-SG 3.25Å; Y19-C22 PolarHBondContact O-N 3.48Å; Y19-C22 VanDerWaalsContact O-N 3.15Å; C22-G24 PolarHBondContact O-N 3.21Å; C22-D25 PolarHBondContact O-N 3.28Å; C22-Y26 HydrophobicContact CB-CD2 3.94Å; C22-Y26 HydrophobicContact CB-CE2 3.8Å; C22-Y26 VanDerWaalsContact O-CD2 3.23Å; C22-Y26 WeakPolarHBondContact O-CD2 3.3Å; C22-Y26 PolarHBondContact O-N 2.91Å
23D58.4Low60.7Low112 Ų112123.1 Ų123.160%0.59962%0.621SS**THydrogen-bonded Turntrans-62.2-17.4-179.4-149.641.1000112.5Y19Y19-D23 WeakPolarHBondContact O-CB 3.21Å; Y19-D23 PolarHBondContact O-N 3.09Å
24G53.8Low58.9Low69 Ų69127.4 Ų127.471%0.71163%0.633SS**THydrogen-bonded Turntrans-83.6-8.7170.600000115.6C22C22-G24 PolarHBondContact O-N 3.21Å
25D56Low57.2Low137 Ų137130.7 Ų130.773%0.73365%0.65SS**THydrogen-bonded Turntrans-120.12.6-173.8-85.6-38.2000113.4C22C22-D25 PolarHBondContact O-N 3.28Å
26Y52.7Low55.9Low178 Ų178136 Ų13670%0.69867%0.673SS**  trans-10428.4-174.2-89.7-71.9000115.4C22C22-Y26 HydrophobicContact CB-CD2 3.94Å; C22-Y26 HydrophobicContact CB-CE2 3.8Å; C22-Y26 VanDerWaalsContact O-CD2 3.23Å; C22-Y26 WeakPolarHBondContact O-CD2 3.3Å; C22-Y26 PolarHBondContact O-N 2.91Å
27E49.1Very low53.9Low199 Ų199138 Ų13893%0.9368%0.684SS**SBendtrans-106.922.7177.9-140.7-177.1169.700114.1
28S46.3Very low52.5Low102 Ų102138.7 Ų138.771%0.71369%0.694SS**  trans-142.628-174.581.70000117.9
29E49Very low51.3Low184 Ų184145.9 Ų145.986%0.8673%0.726SS**  trans-122.762.9169.9-74.1-170.1135.500110.7
30E39.8Very low49.9Very low183 Ų183148.1 Ų148.186%0.85574%0.742SS**  trans-120.6147.2156.7-76.7-171158.800108.4
31E48.5Very low49.1Very low179 Ų179153.5 Ų153.584%0.83676%0.761SS**  trans83.386.2173.7-61.7180151.500115.6
32E40.2Very low48.2Very low171 Ų171158 Ų15880%0.79978%0.783SS**  65.394.377.7-159.7173.1-136.200110.2
33N43.4Very low47.8Very low169 Ų169165.1 Ų165.190%0.90481%0.81SS**  trans-131.275.1173.5-1352.3000108.5
34E45.5Very low47.6Very low156 Ų156164.7 Ų164.773%0.72981%0.813SS**  trans-77.4132.1156.6-70.4-174.2152.800108.2
35E45.6Very low47.4Very low176 Ų176167.5 Ų167.582%0.82282%0.819SS**  trans40.6111.1147.8-55.7-176.4162.500118.8
36E52.4Low47.1Very low196 Ų196168.4 Ų168.492%0.91682%0.819SS**  177.5136.9108.4-96.9179.4156.100112.9
37E35.3Very low47.2Very low180 Ų180165.2 Ų165.284%0.84182%0.82SS**  trans-66.4110.5171.4179.1179.6-15900110.1
38N47Very low47.4Very low138 Ų138163.9 Ų163.974%0.73882%0.819SS**  trans179.8131.9144.3-98-42.2000114.9
39E48.3Very low48.1Very low169 Ų169164.5 Ų164.579%0.7982%0.819SS**  trans68.8112.7139.8-65.6-179149.700121.9
40E43.1Very low48.5Very low196 Ų196161.2 Ų161.292%0.91681%0.813SS**  trans-3.6111.2147-69.5173.6109.200118
41E49.1Very low49.2Very low194 Ų194162.3 Ų162.391%0.90782%0.818SS**  trans-141.2122.1149.3-115.9-176158.600110.5K43E41-K43 PolarHBondContact O-N 3.45Å
42E47.4Very low49.3Very low203 Ų203156.4 Ų156.495%0.94981%0.805SS**PPolyproline II helixtrans-56.2116.8-176.6-74.1178.6113.900112.7
43K53.5Low50.1Low176 Ų176157.9 Ų157.977%0.76581%0.808SS**PPolyproline II helixtrans-95.3124.2174.4-146.4173.4-170.4174.20110.3E41E41-K43 PolarHBondContact O-N 3.45Å
44P53.2Low50.5Low103 Ų103158.5 Ų158.567%0.66981%0.806SS**PPolyproline II helixtrans-67155.2177.626.3-32.3000111.9Q46P44-Q46 PolarHBondContact O-N 3.35Å
45P50.2Low51.1Low128 Ų128156.3 Ų156.383%0.83181%0.805SS**PPolyproline II helixtrans-65.1117.6-161.625.4-34.4000112.2
46Q49.7Very low51.3Low157 Ų157155.2 Ų155.273%0.73480%0.802SS**PPolyproline II helixtrans-72134.1171.6-90-177.3-8.500110.3P44P44-Q46 PolarHBondContact O-N 3.35Å
47P55.5Low51.7Low110 Ų110149.6 Ų149.671%0.71478%0.782SS**PPolyproline II helixtrans-67135.2175.127.7-32000110.4V49P47-V49 WeakPolarHBondContact O-CG2 3.3Å; P47-V49 PolarHBondContact O-N 2.94Å
48D53.1Low52.7Low171 Ų171146.3 Ų146.391%0.91477%0.765SS**  trans-5198.2177.4-72.7-51.6000112
49V61Low53.4Low116 Ų116144.6 Ų144.670%0.70376%0.764SS**  trans-86.3126.3168.5-166.40000107.4P47 H51P47-V49 WeakPolarHBondContact O-CG2 3.3Å; P47-V49 PolarHBondContact O-N 2.94Å; V49-H51 PolarHBondContact O-N 3.44Å
50P57.6Low54.3Low115 Ų115141.3 Ų141.375%0.74775%0.751SS**  trans-65.5113.5179.126.2-31.4000109G52P50-G52 PolarHBondContact O-N 3.04Å
51H54.6Low55.4Low206 Ų206134 Ų13495%0.95472%0.724SS**  trans-63.577.5162.7-78.3-39.1000109.1V49V49-H51 PolarHBondContact O-N 3.44Å
52G50.1Low56.4Low54 Ų54126.8 Ų126.856%0.55770%0.701SS**  trans-138.576.5-173.200000109.8P50P50-G52 PolarHBondContact O-N 3.04Å
53K55.8Low57.5Low202 Ų202120 Ų12088%0.87868%0.68SS**  trans171.188.2146.3-90.4155.5-166.2-173.10108.5P55K53-P55 VanDerWaalsContact O-CD 3.29Å; K53-P55 WeakPolarHBondContact O-CD 3.33Å
54H53.2Low58.6Low183 Ų183115.7 Ų115.785%0.84767%0.668SS**  trans-61.7121.3156.1-74.8-82.2000108M56H54-M56 VanDerWaalsContact C-N 3.28Å; H54-M56 PolarHBondContact O-N 3.21Å
55P56.7Low59.5Low110 Ų110111.8 Ų111.871%0.71465%0.645SS**  trans-76.984.4169.130.8-30.5000108.9K53K53-P55 VanDerWaalsContact O-CD 3.29Å; K53-P55 WeakPolarHBondContact O-CD 3.33Å
56M51.7Low60.5Low152 Ų152108.6 Ų108.675%0.74963%0.629SS**  trans-112100.9167.2-119.9-99.1-129.300106.2H54H54-M56 VanDerWaalsContact C-N 3.28Å; H54-M56 PolarHBondContact O-N 3.21Å
57P59.7Low61.8Low78 Ų78108.1 Ų108.151%0.50662%0.622SS.*  -154.222.798.139.3-18.9000115.6S59 I60 A61P57-S59 VanDerWaalsContact C-N 3.25Å; P57-S59 PolarHBondContact O-N 3.35Å; P57-I60 PolarHBondContact O-N 3.28Å; P57-I60 VanDerWaalsContact O-N 3.09Å; P57-A61 PolarHBondContact O-N 3.05Å
58F57.5Low62.9Low112 Ų112105.8 Ų105.849%0.49161%0.605SS.*Hα-helixtrans-59.1-34.3-175-72.5-76.8000113.6T18 I60 G62T18-F58 HydrophobicContact CG2-CE1 3.93Å; F58-I60 PolarHBondContact O-N 2.86Å; F58-G62 PolarHBondContact O-N 3.37Å
59S60.5Low64.1Low102 Ų102101.8 Ų101.871%0.71358%0.58SS**Hα-helixtrans-66.8-35.3177.2-173.90000113.2P57 A63P57-S59 VanDerWaalsContact C-N 3.25Å; P57-S59 PolarHBondContact O-N 3.35Å; S59-A63 WeakPolarHBondContact O-CB 3.4Å; S59-A63 PolarHBondContact O-N 3Å; S59-A63 VanDerWaalsContact O-N 3.09Å
60I66.8Low64.8Low100 Ų100104.3 Ų104.351%0.51358%0.578SS.*Hα-helixtrans-74.9-42.4-177.5-58.1174.8000110.4P57 F58 G62 A63 V64P57-I60 PolarHBondContact O-N 3.28Å; P57-I60 VanDerWaalsContact O-N 3.09Å; F58-I60 PolarHBondContact O-N 2.86Å; I60-G62 VanDerWaalsContact C-N 3.34Å; I60-G62 PolarHBondContact O-N 2.97Å; I60-A63 PolarHBondContact O-N 3.48Å; I60-V64 HydrophobicContact CG2-CG2 4.37Å; I60-V64 WeakPolarHBondContact O-CG2 3.26Å; I60-V64 PolarHBondContact O-N 3.29Å
61A66Low65.8Low42 Ų42104 Ų10435%0.34757%0.567SS.*Hα-helixtrans-61.8-42.7177.900000111.8F14 P57 A65F14-A61 HydrophobicContact CE1-CB 4.41Å; P57-A61 PolarHBondContact O-N 3.05Å; A61-A65 WeakPolarHBondContact O-CB 3.31Å; A61-A65 PolarHBondContact O-N 3.44Å
62G70.9Confident66.6Low42 Ų42101.9 Ų101.943%0.43356%0.555SS.*Hα-helixtrans-63.3-42.9174.800000113F58 I60 A65 A66F58-G62 PolarHBondContact O-N 3.37Å; I60-G62 VanDerWaalsContact C-N 3.34Å; I60-G62 PolarHBondContact O-N 2.97Å; G62-A65 PolarHBondContact O-N 3.36Å; G62-A66 WeakPolarHBondContact O-CB 3.36Å; G62-A66 PolarHBondContact O-N 2.93Å
63A70.2Confident67.3Low61 Ų61106.9 Ų106.950%0.50456%0.558SS.*Hα-helixtrans-64.1-42.8178.300000112.6S59 I60 A66 Y67S59-A63 WeakPolarHBondContact O-CB 3.4Å; S59-A63 PolarHBondContact O-N 3Å; S59-A63 VanDerWaalsContact O-N 3.09Å; I60-A63 PolarHBondContact O-N 3.48Å; A63-A66 PolarHBondContact O-N 3.29Å; A63-Y67 WeakPolarHBondContact O-CB 3.18Å; A63-Y67 PolarHBondContact O-N 3.09Å
64V76.2Confident67Low85 Ų85102.3 Ų102.352%0.51557%0.568SS.*Hα-helixtrans-65.7-41.8176.8174.60000110.8I60 Y67 V68I60-V64 HydrophobicContact CG2-CG2 4.37Å; I60-V64 WeakPolarHBondContact O-CG2 3.26Å; I60-V64 PolarHBondContact O-N 3.29Å; V64-Y67 PolarHBondContact O-N 3.44Å; V64-V68 VanDerWaalsContact O-CG2 3.31Å; V64-V68 WeakPolarHBondContact O-CG2 3.39Å; V64-V68 PolarHBondContact O-N 2.81Å
65A72.2Confident67.7Low21 Ų2198.3 Ų98.317%0.17455%0.554CS.*Hα-helixtrans-61.9-49.4176.300000111.6F11 A61 G62 Y67 V68 F69F11-A65 HydrophobicContact CD2-CB 4.44Å; F11-A65 HydrophobicContact CE2-CB 3.69Å; F11-A65 HydrophobicContact CZ-CB 4.38Å; A61-A65 WeakPolarHBondContact O-CB 3.31Å; A61-A65 PolarHBondContact O-N 3.44Å; G62-A65 PolarHBondContact O-N 3.36Å; A65-Y67 VanDerWaalsContact C-N 3.32Å; A65-Y67 PolarHBondContact O-N 3.22Å; A65-V68 PolarHBondContact O-N 3.47Å; A65-F69 VanDerWaalsContact O-CD2 3.26Å; A65-F69 WeakPolarHBondContact O-CD2 3.43Å; A65-F69 PolarHBondContact O-N 2.93Å
66A72.4Confident68.3Low61 Ų6197.6 Ų97.650%0.50455%0.546SS..Hα-helixtrans-59-41.6178.400000112.3G62 A63 F69 Y70G62-A66 WeakPolarHBondContact O-CB 3.36Å; G62-A66 PolarHBondContact O-N 2.93Å; A63-A66 PolarHBondContact O-N 3.29Å; A66-F69 PolarHBondContact O-N 2.98Å; A66-Y70 WeakPolarHBondContact O-CB 3.42Å; A66-Y70 PolarHBondContact O-N 3.23Å
67Y76.5Confident69.2Low148 Ų14894.6 Ų94.658%0.5853%0.534SS*.Hα-helixtrans-62.6-43.2176.8-178.8-105.9000112.6A63 V64 A65 Y70 H71A63-Y67 WeakPolarHBondContact O-CB 3.18Å; A63-Y67 PolarHBondContact O-N 3.09Å; V64-Y67 PolarHBondContact O-N 3.44Å; A65-Y67 VanDerWaalsContact C-N 3.32Å; A65-Y67 PolarHBondContact O-N 3.22Å; Y67-Y70 PolarHBondContact O-N 3.12Å; Y67-H71 AromaticContact CE1-CD2 3.78Å; Y67-H71 AromaticContact CE2-CD2 3.48Å; Y67-H71 VanDerWaalsContact CE2-CD2 3.48Å; Y67-H71 WeakPolarHBondContact CE2-CD2 3.48Å; Y67-H71 AromaticContact CE2-NE2 3.48Å; Y67-H71 WeakPolarHBondContact CE2-NE2 3.48Å; Y67-H71 AromaticContact CZ-CD2 3.35Å; Y67-H71 AromaticContact CZ-NE2 3.31Å; Y67-H71 VanDerWaalsContact CZ-NE2 3.31Å; Y67-H71 PolarHBondContact O-N 3.46Å; Y67-H71 VanDerWaalsContact O-N 3.12Å; Y67-H71 PolarHBondContact OH-NE2 3.37Å
68V79.2Confident69.8Low61 Ų6195.6 Ų95.637%0.3754%0.536SS..Hα-helixtrans-67-43.3177172.50000110.9V64 A65 Y70 H71 F72V64-V68 VanDerWaalsContact O-CG2 3.31Å; V64-V68 WeakPolarHBondContact O-CG2 3.39Å; V64-V68 PolarHBondContact O-N 2.81Å; A65-V68 PolarHBondContact O-N 3.47Å; V68-Y70 PolarHBondContact O-N 3.04Å; V68-H71 PolarHBondContact O-N 2.93Å; V68-F72 HydrophobicContact CG1-CD2 3.96Å; V68-F72 HydrophobicContact CG1-CE2 4.2Å; V68-F72 WeakPolarHBondContact O-CD2 3.4Å; V68-F72 PolarHBondContact O-N 3.42Å
69F76.6Confident70.6Confident87 Ų8794.6 Ų94.638%0.38254%0.539SS..Hα-helixtrans-60.6-43.9175.6-87.4-75.9000112F11 A65 A66 H71 F72 Y73F11-F69 HydrophobicContact CD1-CE2 4.44Å; F11-F69 HydrophobicContact CE1-CE2 4.22Å; F11-F69 HydrophobicContact CZ-CE2 4.33Å; A65-F69 VanDerWaalsContact O-CD2 3.26Å; A65-F69 WeakPolarHBondContact O-CD2 3.43Å; A65-F69 PolarHBondContact O-N 2.93Å; A66-F69 PolarHBondContact O-N 2.98Å; F69-H71 VanDerWaalsContact C-N 3.34Å; F69-H71 PolarHBondContact O-N 3.39Å; F69-F72 PolarHBondContact O-N 3.4Å; F69-Y73 AromaticContact CD1-CD2 3.86Å; F69-Y73 HydrophobicContact CD1-CD2 3.86Å; F69-Y73 HydrophobicContact CD1-CE2 4.08Å; F69-Y73 HydrophobicContact CE1-CD2 4.44Å; F69-Y73 HydrophobicContact CE1-CE2 4.21Å; F69-Y73 WeakPolarHBondContact O-CB 3.37Å; F69-Y73 PolarHBondContact O-N 3.33Å
70Y76.6Confident71.2Confident169 Ų16994.1 Ų94.166%0.66353%0.527SS*.Hα-helixtrans-59.4-42.5177.4-177-102000112.3A66 Y67 V68 G74A66-Y70 WeakPolarHBondContact O-CB 3.42Å; A66-Y70 PolarHBondContact O-N 3.23Å; Y67-Y70 PolarHBondContact O-N 3.12Å; V68-Y70 PolarHBondContact O-N 3.04Å; Y70-G74 WeakPolarHBondContact O-CA 3.4Å; Y70-G74 PolarHBondContact O-N 3.06Å
71H77.6Confident71.6Confident109 Ų10993.6 Ų93.651%0.50553%0.528SS..Hα-helixtrans-72.6-26.2-178.4-99.2-74.4000115.4Y67 V68 F69Y67-H71 AromaticContact CE1-CD2 3.78Å; Y67-H71 AromaticContact CE2-CD2 3.48Å; Y67-H71 VanDerWaalsContact CE2-CD2 3.48Å; Y67-H71 WeakPolarHBondContact CE2-CD2 3.48Å; Y67-H71 AromaticContact CE2-NE2 3.48Å; Y67-H71 WeakPolarHBondContact CE2-NE2 3.48Å; Y67-H71 AromaticContact CZ-CD2 3.35Å; Y67-H71 AromaticContact CZ-NE2 3.31Å; Y67-H71 VanDerWaalsContact CZ-NE2 3.31Å; Y67-H71 PolarHBondContact O-N 3.46Å; Y67-H71 VanDerWaalsContact O-N 3.12Å; Y67-H71 PolarHBondContact OH-NE2 3.37Å; V68-H71 PolarHBondContact O-N 2.93Å; F69-H71 VanDerWaalsContact C-N 3.34Å; F69-H71 PolarHBondContact O-N 3.39Å
72F73.4Confident72Confident161 Ų16197.6 Ų97.671%0.70654%0.542SS*.Hα-helixtrans-102.4-21.9-177.1-78.7-83.4000114V68 F69V68-F72 HydrophobicContact CG1-CD2 3.96Å; V68-F72 HydrophobicContact CG1-CE2 4.2Å; V68-F72 WeakPolarHBondContact O-CD2 3.4Å; V68-F72 PolarHBondContact O-N 3.42Å; F69-F72 PolarHBondContact O-N 3.4Å
73Y63Low72.1Confident158 Ų158102.3 Ų102.362%0.6255%0.551SS**Hα-helixtrans-121.9-10.1-175.9-70.6-88.2000114.9T4 F69T4-Y73 WeakPolarHBondContact CG2-OH 3.33Å; F69-Y73 AromaticContact CD1-CD2 3.86Å; F69-Y73 HydrophobicContact CD1-CD2 3.86Å; F69-Y73 HydrophobicContact CD1-CE2 4.08Å; F69-Y73 HydrophobicContact CE1-CD2 4.44Å; F69-Y73 HydrophobicContact CE1-CE2 4.21Å; F69-Y73 WeakPolarHBondContact O-CB 3.37Å; F69-Y73 PolarHBondContact O-N 3.33Å
74G51Low72.2Confident106 Ų106106 Ų106100%1.09356%0.555SS**  trans-99.10170.200000111.5Y70Y70-G74 WeakPolarHBondContact O-CA 3.4Å; Y70-G74 PolarHBondContact O-N 3.06Å

Retrieved 74 of 74 residues in 19.5 ms (Link to these results)