A0A5K4F846_SCHMA Loading...

Secreted protein

AlphaFold DB (A0A5K4F7I1), UniProt , Accession A0A5K4F846, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 80 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
1M65.1Low77.4Confident214 Ų214119.5 Ų119.5100%1.05462%0.617SS**  0-33.90-59-45.9-168.300114.3
2Q77.8Confident76.8Confident154 Ų154116.3 Ų116.372%0.7261%0.607SS**Hα-helixtrans-72.4-27.1-174.7-164.3170.131.800115.7T5Q2-T5 PolarHBondContact O-OG1 3.26Å
3F77.8Confident75.9Confident170 Ų170112.6 Ų112.675%0.74659%0.592SS**Hα-helixtrans-70.5-35.1179.6-73.2-82.4000113T5 L6 I7F3-T5 PolarHBondContact O-N 3Å; F3-L6 PolarHBondContact O-N 3Å; F3-I7 WeakPolarHBondContact O-CG1 2.9Å; F3-I7 PolarHBondContact O-N 2.76Å
4L81.1Confident75.2Confident118 Ų118107.1 Ų107.162%0.61857%0.567SS**Hα-helixtrans-64.6-42.7-178.9-16788.6000111.4L6 I7 I8L4-L6 PolarHBondContact O-N 2.79Å; L4-I7 PolarHBondContact O-N 3.34Å; L4-I8 HydrophobicContact CD2-CD1 4.07Å; L4-I8 HydrophobicContact CG-CD1 4.02Å; L4-I8 VanDerWaalsContact O-CG1 3.29Å; L4-I8 WeakPolarHBondContact O-CG1 3.28Å; L4-I8 PolarHBondContact O-N 2.89Å
5T81.5Confident74.2Confident79 Ų79108.3 Ų108.349%0.48557%0.566SS.*Hα-helixtrans-65.3-39.5180480000112Q2 F3 I7 I8 V9Q2-T5 PolarHBondContact O-OG1 3.26Å; F3-T5 PolarHBondContact O-N 3Å; T5-I7 PolarHBondContact O-N 3.1Å; T5-I8 PolarHBondContact O-N 3.43Å; T5-V9 VanDerWaalsContact O-CG2 3.25Å; T5-V9 WeakPolarHBondContact O-CG2 3.04Å; T5-V9 PolarHBondContact O-N 3.49Å
6L79.1Confident73Confident106 Ų106109.8 Ų109.856%0.55557%0.569SS**Hα-helixtrans-60.7-44.9174.5-73.9171.4000111.9F3 L4 I8 V9 V10F3-L6 PolarHBondContact O-N 3Å; L4-L6 PolarHBondContact O-N 2.79Å; L6-I8 PolarHBondContact O-N 2.96Å; L6-V9 PolarHBondContact O-N 3.27Å; L6-V10 VanDerWaalsContact O-CG2 3.27Å; L6-V10 WeakPolarHBondContact O-CG2 3.38Å; L6-V10 PolarHBondContact O-N 3.42Å
7I80.3Confident71.6Confident100 Ų100106.4 Ų106.451%0.51356%0.556SS.*Hα-helixtrans-62.3-45.2177.9-64.6166.5000110.4F3 L4 T5 V9 V10 L11F3-I7 WeakPolarHBondContact O-CG1 2.9Å; F3-I7 PolarHBondContact O-N 2.76Å; L4-I7 PolarHBondContact O-N 3.34Å; T5-I7 PolarHBondContact O-N 3.1Å; I7-V9 PolarHBondContact O-N 3.05Å; I7-V10 PolarHBondContact O-N 3.34Å; I7-L11 HydrophobicContact CG2-CD1 3.87Å; I7-L11 HydrophobicContact CG2-CG 4.31Å; I7-L11 WeakPolarHBondContact O-CB 3.38Å; I7-L11 VanDerWaalsContact O-CG 3.29Å; I7-L11 WeakPolarHBondContact O-CG 3.43Å; I7-L11 PolarHBondContact O-N 3.21Å
8I81Confident70.5Confident85 Ų85107.3 Ų107.344%0.43656%0.557SS.*Hα-helixtrans-61.4-45.8178.2-66.4164.9000110.8L4 T5 L6 V10 L11 V12L4-I8 HydrophobicContact CD2-CD1 4.07Å; L4-I8 HydrophobicContact CG-CD1 4.02Å; L4-I8 VanDerWaalsContact O-CG1 3.29Å; L4-I8 WeakPolarHBondContact O-CG1 3.28Å; L4-I8 PolarHBondContact O-N 2.89Å; T5-I8 PolarHBondContact O-N 3.43Å; L6-I8 PolarHBondContact O-N 2.96Å; I8-V10 VanDerWaalsContact C-N 3.34Å; I8-V10 PolarHBondContact O-N 3.32Å; I8-L11 PolarHBondContact O-N 3.22Å; I8-V12 HydrophobicContact CG2-CG2 4.11Å; I8-V12 WeakPolarHBondContact O-CB 3.39Å; I8-V12 VanDerWaalsContact O-CG2 3.26Å; I8-V12 WeakPolarHBondContact O-CG2 3.35Å; I8-V12 PolarHBondContact O-N 3.04Å
9V76.9Confident69Low90 Ų90104.5 Ų104.555%0.54554%0.543SS..Hα-helixtrans-60.4-44.5177.8170.60000110.9T5 L6 I7 L11 V12 V13T5-V9 VanDerWaalsContact O-CG2 3.25Å; T5-V9 WeakPolarHBondContact O-CG2 3.04Å; T5-V9 PolarHBondContact O-N 3.49Å; L6-V9 PolarHBondContact O-N 3.27Å; I7-V9 PolarHBondContact O-N 3.05Å; V9-L11 VanDerWaalsContact C-N 3.35Å; V9-L11 PolarHBondContact O-N 3.31Å; V9-V12 PolarHBondContact O-N 3.13Å; V9-V13 HydrophobicContact CG1-CG2 4.36Å; V9-V13 WeakPolarHBondContact O-CB 3.33Å; V9-V13 WeakPolarHBondContact O-CG2 3.07Å; V9-V13 PolarHBondContact O-N 2.98Å
10V76Confident68.1Low91 Ų91104.6 Ų104.655%0.55255%0.551SS**Hα-helixtrans-62.9-41.81771720000111.2L6 I7 I8 S14L6-V10 VanDerWaalsContact O-CG2 3.27Å; L6-V10 WeakPolarHBondContact O-CG2 3.38Å; L6-V10 PolarHBondContact O-N 3.42Å; I7-V10 PolarHBondContact O-N 3.34Å; I8-V10 VanDerWaalsContact C-N 3.34Å; I8-V10 PolarHBondContact O-N 3.32Å; V10-S14 WeakPolarHBondContact O-CB 3.28Å; V10-S14 PolarHBondContact O-N 3.45Å; V10-S14 PolarHBondContact O-OG 2.95Å
11L74.4Confident67Low108 Ų108103.4 Ų103.457%0.56556%0.555SS**Hα-helixtrans-67.3-44.8178-73173.6000112.3I7 I8 V9 S14 F15I7-L11 HydrophobicContact CG2-CD1 3.87Å; I7-L11 HydrophobicContact CG2-CG 4.31Å; I7-L11 WeakPolarHBondContact O-CB 3.38Å; I7-L11 VanDerWaalsContact O-CG 3.29Å; I7-L11 WeakPolarHBondContact O-CG 3.43Å; I7-L11 PolarHBondContact O-N 3.21Å; I8-L11 PolarHBondContact O-N 3.22Å; V9-L11 VanDerWaalsContact C-N 3.35Å; V9-L11 PolarHBondContact O-N 3.31Å; L11-S14 CarbonylContact O-C 3.55Å; L11-S14 PolarHBondContact O-N 3.5Å; L11-F15 VanDerWaalsContact O-CB 3.31Å; L11-F15 WeakPolarHBondContact O-CB 3.21Å; L11-F15 PolarHBondContact O-N 3.09Å
12V71.2Confident66.2Low81 Ų8199.4 Ų99.449%0.49154%0.539SS..Hα-helixtrans-61.2-49.2177.1171.30000110.2I8 V9 S14 F15 E16I8-V12 HydrophobicContact CG2-CG2 4.11Å; I8-V12 WeakPolarHBondContact O-CB 3.39Å; I8-V12 VanDerWaalsContact O-CG2 3.26Å; I8-V12 WeakPolarHBondContact O-CG2 3.35Å; I8-V12 PolarHBondContact O-N 3.04Å; V9-V12 PolarHBondContact O-N 3.13Å; V12-S14 VanDerWaalsContact C-N 3.26Å; V12-S14 PolarHBondContact O-N 2.99Å; V12-F15 PolarHBondContact O-N 3.08Å; V12-F15 VanDerWaalsContact O-N 3.16Å; V12-E16 HydrophobicContact CG1-CG 4.35Å; V12-E16 WeakPolarHBondContact O-CB 3.5Å; V12-E16 VanDerWaalsContact O-CG 3.29Å; V12-E16 WeakPolarHBondContact O-CG 3.37Å; V12-E16 PolarHBondContact O-N 3.21Å
13V65.2Low64.5Low68 Ų6894.7 Ų94.741%0.41253%0.531SS..Hα-helixtrans-61.2-37176.7172.60000111.4V9 C17V9-V13 HydrophobicContact CG1-CG2 4.36Å; V9-V13 WeakPolarHBondContact O-CB 3.33Å; V9-V13 WeakPolarHBondContact O-CG2 3.07Å; V9-V13 PolarHBondContact O-N 2.98Å; V13-C17 PolarHBondContact O-N 3.16Å; V13-C17 PolarHBondContact O-SG 2.77Å
14S64.9Low62.8Low36 Ų3690.9 Ų90.925%0.25253%0.531SS..Hα-helixtrans-72.7-32.2176.8-61.10000113.3V10 L11 V12 Q18V10-S14 WeakPolarHBondContact O-CB 3.28Å; V10-S14 PolarHBondContact O-N 3.45Å; V10-S14 PolarHBondContact O-OG 2.95Å; L11-S14 CarbonylContact O-C 3.55Å; L11-S14 PolarHBondContact O-N 3.5Å; V12-S14 VanDerWaalsContact C-N 3.26Å; V12-S14 PolarHBondContact O-N 2.99Å; S14-Q18 WeakPolarHBondContact O-CB 3.18Å; S14-Q18 VanDerWaalsContact O-CG 3.28Å; S14-Q18 WeakPolarHBondContact O-CG 3.31Å; S14-Q18 PolarHBondContact O-N 2.67Å; S14-Q18 VanDerWaalsContact O-N 3.08Å; S14-Q18 PolarHBondContact O-NE2 3.45Å
15F61.3Low61Low125 Ų12591 Ų9155%0.54854%0.539SS..Hα-helixtrans-75.3-46.6178.8-168.5-94.4000110.9L11 V12 C17 Q18 N19L11-F15 VanDerWaalsContact O-CB 3.31Å; L11-F15 WeakPolarHBondContact O-CB 3.21Å; L11-F15 PolarHBondContact O-N 3.09Å; V12-F15 PolarHBondContact O-N 3.08Å; V12-F15 VanDerWaalsContact O-N 3.16Å; F15-C17 PolarHBondContact O-N 2.92Å; F15-Q18 PolarHBondContact O-N 2.91Å; F15-Q18 VanDerWaalsContact O-N 3.09Å; F15-N19 HydrophobicContact CE1-CB 4.49Å; F15-N19 WeakPolarHBondContact O-CB 3.29Å; F15-N19 PolarHBondContact O-N 2.82Å
16E55.1Low59.1Low131 Ų13190.9 Ų90.961%0.61255%0.546SS*.Hα-helixtrans-57.5-33.2175-71.4-70.1113.100111.8V12V12-E16 HydrophobicContact CG1-CG 4.35Å; V12-E16 WeakPolarHBondContact O-CB 3.5Å; V12-E16 VanDerWaalsContact O-CG 3.29Å; V12-E16 WeakPolarHBondContact O-CG 3.37Å; V12-E16 PolarHBondContact O-N 3.21Å
17C48.5Very low57Low52 Ų5292.4 Ų92.435%0.35156%0.562SS.*Hα-helixtrans-85.8-25.3176.4-68.20000115.1V13 F15 Q40V13-C17 PolarHBondContact O-N 3.16Å; V13-C17 PolarHBondContact O-SG 2.77Å; F15-C17 PolarHBondContact O-N 2.92Å; C17-Q40 HydrophobicContact CB-CG 4.1Å; C17-Q40 VanDerWaalsContact SG-CG 3.59Å; C17-Q40 PolarHBondContact SG-NE2 3.39Å
18Q51Low55Low124 Ų12491.8 Ų91.858%0.57958%0.581SS**Hα-helixtrans-81.8-20.7176.4-79.6-177.185.200112.7S14 F15 P20S14-Q18 WeakPolarHBondContact O-CB 3.18Å; S14-Q18 VanDerWaalsContact O-CG 3.28Å; S14-Q18 WeakPolarHBondContact O-CG 3.31Å; S14-Q18 PolarHBondContact O-N 2.67Å; S14-Q18 VanDerWaalsContact O-N 3.08Å; S14-Q18 PolarHBondContact O-NE2 3.45Å; F15-Q18 PolarHBondContact O-N 2.91Å; F15-Q18 VanDerWaalsContact O-N 3.09Å; Q18-P20 WeakPolarHBondContact O-CD 3.44Å
19N42.9Very low53.1Low54 Ų5490.3 Ų90.329%0.28959%0.587SS.*  trans-112.276.1-179.4-159.123.8000111.7F15 A21F15-N19 HydrophobicContact CE1-CB 4.49Å; F15-N19 WeakPolarHBondContact O-CB 3.29Å; F15-N19 PolarHBondContact O-N 2.82Å; N19-A21 PolarHBondContact O-N 2.88Å; N19-A21 WeakPolarHBondContact OD1-CB 3.36Å
20P50.1Low51.6Low106 Ų10697.7 Ų97.769%0.68860%0.604SS**THydrogen-bonded Turntrans-64-2.4169.729.8-35.1000112.6Q18 N22Q18-P20 WeakPolarHBondContact O-CD 3.44Å; P20-N22 VanDerWaalsContact C-N 3.34Å; P20-N22 PolarHBondContact O-N 3.47Å
21A46Very low50.1Low79 Ų7993.9 Ų93.965%0.65358%0.582SS**THydrogen-bonded Turntrans-73.7-20.5-178.100000114N19N19-A21 PolarHBondContact O-N 2.88Å; N19-A21 WeakPolarHBondContact OD1-CB 3.36Å
22N47.6Very low48.9Very low131 Ų13194.9 Ų94.970%0.70160%0.595SS**SBendtrans-99.4-7.6-178.8-77.622.8000113.9P20 A24P20-N22 VanDerWaalsContact C-N 3.34Å; P20-N22 PolarHBondContact O-N 3.47Å; N22-A24 PolarHBondContact O-N 3.22Å
23G42.9Very low47.7Very low55 Ų5592.9 Ų92.957%0.56758%0.584SS**SBendtrans-88.190.1171.200000109.7
24A41.8Very low46.9Very low90 Ų9093.8 Ų93.874%0.74459%0.592SS**PPolyproline II helixtrans-50.1124.7172.900000109.3N22 A26N22-A24 PolarHBondContact O-N 3.22Å; A24-A26 PolarHBondContact O-N 3.3Å; A24-A26 VanDerWaalsContact O-N 3.09Å
25P44.2Very low46.1Very low119 Ų11997.1 Ų97.177%0.77362%0.616SS**PPolyproline II helixtrans-62.1119178.124.6-31.6000107.9
26A39.8Very low45.2Very low78 Ų7895 Ų9565%0.64563%0.628SS**PPolyproline II helixtrans-54.7123.7171.900000108.3A24 G28A24-A26 PolarHBondContact O-N 3.3Å; A24-A26 VanDerWaalsContact O-N 3.09Å; A26-G28 PolarHBondContact O-N 3.49Å
27P36.4Very low44.7Very low138 Ų13892.6 Ų92.690%0.89663%0.632SS**THydrogen-bonded Turntrans-68.5111.8-177.927-29.6000107.7
28G38.3Very low44.6Very low87 Ų8792.2 Ų92.290%0.89763%0.629SS**THydrogen-bonded Turntrans106.27.7170.500000118A26A26-G28 PolarHBondContact O-N 3.49Å
29G39.9Very low44.5Very low54 Ų5491.1 Ų91.156%0.55763%0.632SS**  trans-107.1120.5-177.200000114.3C31G29-C31 PolarHBondContact O-N 3.49Å
30R46.7Very low44.6Very low244 Ų24492.6 Ų92.692%0.92164%0.638SS**SBendtrans-43122.7168-65.3170.4174.9-176.5-3.6111
31C43.3Very low44.4Very low11 Ų1188.6 Ų88.67%0.07461%0.612CS.*  trans33.899.1163.1-94.30000117.2G29 C33 C34 C56G29-C31 PolarHBondContact O-N 3.49Å; C31-C33 PolarHBondContact O-N 3.34Å; C31-C34 PolarHBondContact O-N 3Å; C31-C56 WeakPolarHBondContact CA-SG 3.27Å; C31-C56 HydrophobicContact CB-CB 4.43Å; C31-C56 WeakPolarHBondContact CB-SG 3.29Å; C31-C56 PolarHBondContact N-SG 3.49Å; C31-C56 WeakPolarHBondContact SG-CA 3.18Å; C31-C56 WeakPolarHBondContact SG-CB 3.35Å; C31-C56 PolarHBondContact SG-N 2.92Å; C31-C56 CovalentContact SG-SG 2.01Å; C31-C56 PolarHBondContact SG-SG 3.3Å
32P49.1Very low44.6Very low129 Ų12989.8 Ų89.884%0.83861%0.613SS**THydrogen-bonded Turntrans-63.9-8.1173.626.6-33.6000113.6C34P32-C34 VanDerWaalsContact C-N 3.34Å
33C47.3Very low44.4Very low40 Ų4092.6 Ų92.627%0.2761%0.614SS.*THydrogen-bonded Turntrans-80.9-4.417744.80000115C31 C55C31-C33 PolarHBondContact O-N 3.34Å; C33-C55 PolarHBondContact SG-O 3.36Å; C33-C55 VanDerWaalsContact SG-O 3.36Å
34C48.7Very low44.7Very low86 Ų8691.1 Ų91.158%0.58159%0.594SS**SBendtrans-115.2-2.5-174.5-66.90000115.1C31 P32 G36C31-C34 PolarHBondContact O-N 3Å; P32-C34 VanDerWaalsContact C-N 3.34Å; C34-G36 PolarHBondContact O-N 3.2Å
35S46.7Very low45Very low107 Ų10792 Ų9275%0.74859%0.594SS**SBendtrans-90.379.8174.9-64.40000110.8A37S35-A37 PolarHBondContact O-N 3.43Å
36G43.2Very low44.9Very low79 Ų7989.1 Ų89.181%0.81459%0.585SS**SBendtrans77.9-19.8147.400000120.4C34C34-G36 PolarHBondContact O-N 3.2Å
37A43.4Very low45.3Very low82 Ų8287.9 Ų87.968%0.67857%0.572SS**  trans-164.180.1-179.100000113.3S35 P39S35-A37 PolarHBondContact O-N 3.43Å; A37-P39 VanDerWaalsContact C-CD 3.45Å; A37-P39 WeakPolarHBondContact O-CD 3.29Å
38C46.3Very low45.8Very low44 Ų4492.9 Ų92.930%0.29757%0.573SS.*  trans-95.788.1162.2-158.70000108.6Q40 C41C38-Q40 PolarHBondContact O-N 3.5Å; C38-C41 HydrophobicContact CB-CB 4.41Å; C38-C41 CarbonylContact O-C 3.5Å; C38-C41 PolarHBondContact O-N 3.02Å; C38-C41 VanDerWaalsContact O-N 3.08Å
39P50.1Low46.2Very low100 Ų10092.3 Ų92.365%0.64957%0.566SS**THydrogen-bonded Turntrans-60.1-19.7-177.224.4-34.7000112.7A37A37-P39 VanDerWaalsContact C-CD 3.45Å; A37-P39 WeakPolarHBondContact O-CD 3.29Å
40Q45.1Very low46.6Very low86 Ų8691.8 Ų91.840%0.40255%0.554SS.*THydrogen-bonded Turntrans-93.6-14178.8-67.6-158.4-1200115.6C17 C38 P42C17-Q40 HydrophobicContact CB-CG 4.1Å; C17-Q40 VanDerWaalsContact SG-CG 3.59Å; C17-Q40 PolarHBondContact SG-NE2 3.39Å; C38-Q40 PolarHBondContact O-N 3.5Å; Q40-P42 WeakPolarHBondContact O-CD 3.11Å
41C46.2Very low46.7Very low22 Ų2291.9 Ų91.915%0.14955%0.554CS.*  trans-122.666.6174.9-67.10000108.2C38 R43 C44 C60C38-C41 HydrophobicContact CB-CB 4.41Å; C38-C41 CarbonylContact O-C 3.5Å; C38-C41 PolarHBondContact O-N 3.02Å; C38-C41 VanDerWaalsContact O-N 3.08Å; C41-R43 PolarHBondContact O-N 3.45Å; C41-C44 HydrophobicContact CB-CB 3.82Å; C41-C44 VanDerWaalsContact CB-SG 3.58Å; C41-C44 WeakPolarHBondContact O-CB 3.35Å; C41-C44 PolarHBondContact O-N 3.36Å; C41-C60 WeakPolarHBondContact CB-SG 3.45Å; C41-C60 WeakPolarHBondContact SG-CB 3.26Å; C41-C60 CovalentContact SG-SG 2.1Å; C41-C60 PolarHBondContact SG-SG 2.05Å
42P48.7Very low46.9Very low103 Ų10394.1 Ų94.167%0.66958%0.579SS**THydrogen-bonded Turntrans-59.7-18.4176.125-34.3000112.1Q40Q40-P42 WeakPolarHBondContact O-CD 3.11Å
43R43.8Very low46.8Very low191 Ų19190.6 Ų90.672%0.72157%0.567SS**THydrogen-bonded Turntrans-89.8-11.9174-62-145.6176.9-173.5-0.1114.7C41 C45 G46C41-R43 PolarHBondContact O-N 3.45Å; R43-C45 VanDerWaalsContact C-N 3.3Å; R43-G46 PolarHBondContact O-N 2.1Å
44C50.5Low46.9Very low24 Ų2495.4 Ų95.416%0.16259%0.59CS.*G310 helixtrans-68.1-32.9169.7-870000111.3C41 G46 C47 C59C41-C44 HydrophobicContact CB-CB 3.82Å; C41-C44 VanDerWaalsContact CB-SG 3.58Å; C41-C44 WeakPolarHBondContact O-CB 3.35Å; C41-C44 PolarHBondContact O-N 3.36Å; C44-G46 PolarHBondContact O-N 3.08Å; C44-G46 VanDerWaalsContact O-N 3.09Å; C44-C47 PolarHBondContact O-N 3.04Å; C44-C59 PolarHBondContact SG-SG 3.36Å
45C47.5Very low47.1Very low108 Ų10891.9 Ų91.973%0.7357%0.565SS**G310 helixtrans-68.3-1.6174.8-69.40000114.5R43R43-C45 VanDerWaalsContact C-N 3.3Å
46G42.8Very low47.2Very low58 Ų5890.7 Ų90.760%0.59856%0.556SS**G310 helixtrans-125.315.3179.200000114.2R43 C44 R48R43-G46 PolarHBondContact O-N 2.1Å; C44-G46 PolarHBondContact O-N 3.08Å; C44-G46 VanDerWaalsContact O-N 3.09Å; G46-R48 VanDerWaalsContact C-N 3.3Å; G46-R48 PolarHBondContact O-N 3.49Å
47C46.9Very low47.4Very low52 Ų5290.3 Ų90.335%0.35155%0.553SS.*  trans-66.183.8-179.6-75.20000111.7C44 G49 C50C44-C47 PolarHBondContact O-N 3.04Å; C47-G49 PolarHBondContact O-N 3.25Å; C47-C50 HydrophobicContact CB-CB 3.85Å; C47-C50 PolarHBondContact O-N 3.29Å
48R47.3Very low47.6Very low244 Ų24487.4 Ų87.492%0.92153%0.531SS*.THydrogen-bonded Turntrans-49.9-24165-106.5-178.1178-177.3-0.4112.3G46G46-R48 VanDerWaalsContact C-N 3.3Å; G46-R48 PolarHBondContact O-N 3.49Å
49G46.1Very low47.7Very low74 Ų7487.4 Ų87.476%0.76353%0.531SS*.THydrogen-bonded Turntrans-90.3-5.4178.600000116.5C47 R51C47-G49 PolarHBondContact O-N 3.25Å; G49-R51 PolarHBondContact O-N 3.33Å
50C49.3Very low47.7Very low43 Ų4385.4 Ų85.429%0.29152%0.519SS..  trans-85.725.4175.4-77.30000113.2C47 G52 C55C47-C50 HydrophobicContact CB-CB 3.85Å; C47-C50 PolarHBondContact O-N 3.29Å; C50-G52 PolarHBondContact O-N 3.23Å; C50-G52 VanDerWaalsContact O-N 3.12Å; C50-C55 HydrophobicContact CB-CB 4.05Å; C50-C55 WeakPolarHBondContact CB-SG 3.37Å; C50-C55 WeakPolarHBondContact SG-CB 3.44Å; C50-C55 CovalentContact SG-SG 2.05Å; C50-C55 PolarHBondContact SG-SG 3.32Å
51R48.1Very low47.7Very low246 Ų24685 Ų8593%0.92853%0.525SS*.THydrogen-bonded Turntrans-64.2-8.3175.8-93.6-174.4172-164.6-2.4114.4G49G49-R51 PolarHBondContact O-N 3.33Å
52G48.6Very low47.6Very low58 Ų5892.1 Ų92.160%0.59855%0.553SS**THydrogen-bonded Turntrans-111.11.1-175.400000116.4C50 D54C50-G52 PolarHBondContact O-N 3.23Å; C50-G52 VanDerWaalsContact O-N 3.12Å; G52-D54 PolarHBondContact O-N 2.95Å
53G46.1Very low47.5Very low56 Ų5695.2 Ų95.258%0.57755%0.552SS**SBendtrans78.9-2-17600000115.1C55G53-C55 PolarHBondContact O-N 2.97Å; G53-C55 VanDerWaalsContact O-N 3.12Å
54D50.4Low47.6Very low141 Ų14193.9 Ų93.975%0.75455%0.547SS*.THydrogen-bonded Turntrans-7611.2-179.9-62.6-75.1000115.6G52 C56G52-D54 PolarHBondContact O-N 2.95Å; D54-C56 PolarHBondContact O-N 3.43Å
55C51.5Low47.5Very low11 Ų1196.5 Ų96.57%0.07456%0.562CS.*THydrogen-bonded Turntrans-67-5.3179.1-115.50000112.3C33 C50 G53 G57 C59C33-C55 PolarHBondContact SG-O 3.36Å; C33-C55 VanDerWaalsContact SG-O 3.36Å; C50-C55 HydrophobicContact CB-CB 4.05Å; C50-C55 WeakPolarHBondContact CB-SG 3.37Å; C50-C55 WeakPolarHBondContact SG-CB 3.44Å; C50-C55 CovalentContact SG-SG 2.05Å; C50-C55 PolarHBondContact SG-SG 3.32Å; G53-C55 PolarHBondContact O-N 2.97Å; G53-C55 VanDerWaalsContact O-N 3.12Å; C55-G57 PolarHBondContact O-N 3.49Å; C55-C59 VanDerWaalsContact SG-SG 3.62Å
56C49.7Very low47.5Very low82 Ų8297 Ų9755%0.55456%0.558SS**THydrogen-bonded Turntrans-94.532.2-169.9-73.70000114.1C31 D54C31-C56 WeakPolarHBondContact CA-SG 3.27Å; C31-C56 HydrophobicContact CB-CB 4.43Å; C31-C56 WeakPolarHBondContact CB-SG 3.29Å; C31-C56 PolarHBondContact N-SG 3.49Å; C31-C56 WeakPolarHBondContact SG-CA 3.18Å; C31-C56 WeakPolarHBondContact SG-CB 3.35Å; C31-C56 PolarHBondContact SG-N 2.92Å; C31-C56 CovalentContact SG-SG 2.01Å; C31-C56 PolarHBondContact SG-SG 3.3Å; D54-C56 PolarHBondContact O-N 3.43Å
57G47.5Very low47.7Very low72 Ų7298.8 Ų98.874%0.74255%0.553SS**THydrogen-bonded Turntrans-146.420.3-172.900000115.5C55C55-G57 PolarHBondContact O-N 3.49Å
58G47.8Very low47.9Very low21 Ų21103.4 Ų103.422%0.21657%0.568CS.*THydrogen-bonded Turntrans117.745.2176.500000115.3C60 S61 K62G58-C60 PolarHBondContact O-N 2.9Å; G58-C60 VanDerWaalsContact O-N 3.13Å; G58-S61 PolarHBondContact O-N 3Å; G58-K62 PolarHBondContact O-N 3.37Å
59C48.2Very low47.7Very low44 Ų4496.3 Ų96.330%0.29755%0.548SS..THydrogen-bonded Turntrans-50.6-34.8172.8-122.90000112.8C44 C55C44-C59 PolarHBondContact SG-SG 3.36Å; C55-C59 VanDerWaalsContact SG-SG 3.62Å
60C49.6Very low47.9Very low58 Ų58102.3 Ų102.339%0.39255%0.547SS..THydrogen-bonded Turntrans-106.3-6176-42.40000112.4C41 G58C41-C60 WeakPolarHBondContact CB-SG 3.45Å; C41-C60 WeakPolarHBondContact SG-CB 3.26Å; C41-C60 CovalentContact SG-SG 2.1Å; C41-C60 PolarHBondContact SG-SG 2.05Å; G58-C60 PolarHBondContact O-N 2.9Å; G58-C60 VanDerWaalsContact O-N 3.13Å
61S45.2Very low47.9Very low78 Ų78106.4 Ų106.455%0.54556%0.563SS.*Hα-helixtrans-83.9-36176.3-540000113.8G58 R63 R64 T65G58-S61 PolarHBondContact O-N 3Å; S61-R63 VanDerWaalsContact C-N 3.26Å; S61-R63 PolarHBondContact O-N 2.99Å; S61-R64 PolarHBondContact O-N 3.22Å; S61-T65 PolarHBondContact O-N 2.77Å; S61-T65 PolarHBondContact O-OG1 3.34Å
62K44Very low48.1Very low170 Ų17098.8 Ų98.874%0.73955%0.552SS**Hα-helixtrans-68.2-22.6177.4-90.4179.6177.7175.10113.6G58 N66G58-K62 PolarHBondContact O-N 3.37Å; K62-N66 PolarHBondContact O-N 3.02Å
63R46.5Very low48.3Very low168 Ų168100.9 Ų100.963%0.63456%0.557SS**Hα-helixtrans-71.4-33.5172.7-86.1-169.9176.4-156-3.7112.8S61 N67S61-R63 VanDerWaalsContact C-N 3.26Å; S61-R63 PolarHBondContact O-N 2.99Å; R63-N67 PolarHBondContact O-N 3.12Å
64R45.5Very low48.5Very low164 Ų164100.7 Ų100.762%0.61956%0.555SS**Hα-helixtrans-70.2-34.1175.9-78.1-170.1-179.1-171.9-0.7112.2S61 K68S61-R64 PolarHBondContact O-N 3.22Å; R64-K68 WeakPolarHBondContact O-CB 3.15Å; R64-K68 PolarHBondContact O-N 2.84Å
65T47.9Very low48.5Very low78 Ų78101.5 Ų101.548%0.47956%0.56SS.*Hα-helixtrans-73.1-38.5178.1-39.90000112.3S61 N67 K68 N69S61-T65 PolarHBondContact O-N 2.77Å; S61-T65 PolarHBondContact O-OG1 3.34Å; T65-N67 VanDerWaalsContact C-N 3.34Å; T65-N67 PolarHBondContact O-N 3.09Å; T65-K68 PolarHBondContact O-N 3.01Å; T65-N69 WeakPolarHBondContact O-CB 3.35Å; T65-N69 PolarHBondContact O-N 2.01Å; T65-N69 PolarHBondContact O-OD1 3.26Å
66N47.5Very low48.4Very low120 Ų120104.2 Ų104.264%0.64259%0.59SS**Hα-helixtrans-72-29.3178.8-126.3-19.3000112.5K62 R70K62-N66 PolarHBondContact O-N 3.02Å; N66-R70 WeakPolarHBondContact O-CB 3.25Å; N66-R70 PolarHBondContact O-N 2.95Å; N66-R70 VanDerWaalsContact O-N 3.1Å
67N48.5Very low48.3Very low94 Ų94109.4 Ų109.450%0.50361%0.606SS.*Hα-helixtrans-75.6-41.6171.3-121.545.3000112R63 T65 N69 R70 E71R63-N67 PolarHBondContact O-N 3.12Å; T65-N67 VanDerWaalsContact C-N 3.34Å; T65-N67 PolarHBondContact O-N 3.09Å; N67-N69 VanDerWaalsContact C-N 3.28Å; N67-N69 PolarHBondContact O-N 3.14Å; N67-R70 CarbonylContact O-C 3.54Å; N67-R70 PolarHBondContact O-N 3.04Å; N67-E71 WeakPolarHBondContact O-CB 2.95Å; N67-E71 WeakPolarHBondContact O-CG 3.23Å; N67-E71 PolarHBondContact O-N 3.09Å
68K49.6Very low48Very low150 Ų150112.9 Ų112.965%0.65261%0.613SS**Hα-helixtrans-61.3-34.8172.3-88.4-175.4173.2-176.90113.1R64 T65 A72R64-K68 WeakPolarHBondContact O-CB 3.15Å; R64-K68 PolarHBondContact O-N 2.84Å; T65-K68 PolarHBondContact O-N 3.01Å; K68-A72 WeakPolarHBondContact O-CB 3.13Å; K68-A72 PolarHBondContact O-N 3.12Å
69N44.7Very low47.5Very low95 Ų95121.5 Ų121.551%0.50864%0.644SS.*Hα-helixtrans-76-25.8174.9-66.8-2.5000112T65 N67 S73T65-N69 WeakPolarHBondContact O-CB 3.35Å; T65-N69 PolarHBondContact O-N 2.01Å; T65-N69 PolarHBondContact O-OD1 3.26Å; N67-N69 VanDerWaalsContact C-N 3.28Å; N67-N69 PolarHBondContact O-N 3.14Å; N69-S73 WeakPolarHBondContact O-CB 3.01Å; N69-S73 PolarHBondContact O-N 3.22Å
70R50.4Low47.6Very low199 Ų199130.8 Ų130.875%0.75169%0.688SS**Hα-helixtrans-78.5-33.2171.7-115-177.7165.9143.2-1.6113.1N66 N67 G74N66-R70 WeakPolarHBondContact O-CB 3.25Å; N66-R70 PolarHBondContact O-N 2.95Å; N66-R70 VanDerWaalsContact O-N 3.1Å; N67-R70 CarbonylContact O-C 3.54Å; N67-R70 PolarHBondContact O-N 3.04Å; R70-G74 VanDerWaalsContact O-CA 3.28Å; R70-G74 WeakPolarHBondContact O-CA 2.98Å; R70-G74 PolarHBondContact O-N 3.19Å
71E48.5Very low47.5Very low130 Ų130134.5 Ų134.561%0.60770%0.703SS**Hα-helixtrans-77-40.9175.1-71.2173.997.900110.2N67N67-E71 WeakPolarHBondContact O-CB 2.95Å; N67-E71 WeakPolarHBondContact O-CG 3.23Å; N67-E71 PolarHBondContact O-N 3.09Å
72A52.6Low47.7Very low86 Ų86137.4 Ų137.471%0.71171%0.712SS**Hα-helixtrans-78.1-18.2175.700000114.3K68K68-A72 WeakPolarHBondContact O-CB 3.13Å; K68-A72 PolarHBondContact O-N 3.12Å
73S51.7Low47.9Very low101 Ų101135.6 Ų135.671%0.70671%0.71SS**THydrogen-bonded Turntrans-106.73.9174.4-163.30000112.9N69N69-S73 WeakPolarHBondContact O-CB 3.01Å; N69-S73 PolarHBondContact O-N 3.22Å
74G50.8Low47.9Very low52 Ų52133.7 Ų133.754%0.53671%0.714SS.*SBendtrans-99-10.3-177.100000115R70 G76R70-G74 VanDerWaalsContact O-CA 3.28Å; R70-G74 WeakPolarHBondContact O-CA 2.98Å; R70-G74 PolarHBondContact O-N 3.19Å; G74-G76 PolarHBondContact O-N 2.97Å
75D50.3Low48.1Very low158 Ų158131.8 Ų131.885%0.84572%0.72SS**THydrogen-bonded Turntrans-85.518.3-179.9-118.3-93.5000113.6
76G49.1Very low48.1Very low69 Ų69135.4 Ų135.471%0.71174%0.737SS**THydrogen-bonded Turntrans-109.17.7-173.400000116.2G74G74-G76 PolarHBondContact O-N 2.97Å
77Q47.4Very low48.1Very low190 Ų190136.5 Ų136.589%0.88874%0.743SS**  trans-127.970.6176-79.4-172.957.400111.6
78V42.8Very low48.1Very low146 Ų146139.8 Ų139.889%0.88576%0.762SS**  trans-97.396.6147.2-179.60000106.2
79K37.3Very low48Very low202 Ų202138.9 Ų138.988%0.87877%0.771SS**  trans-146.981165.3-155.1179.7-176.3-1750109
80I50.3Low48.3Very low239 Ų239142.9 Ų142.9100%1.22680%0.795SS**  trans-129.90149.6-60.4175.7000105.4

Retrieved 80 of 80 residues in 160.6 ms (Link to these results)