Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRNRGFGRRELLVAMAMLVSVTGCARHASGARPASTTLPAGADLADRFAELERRYDARLGVYVPATGTTAAIEYRADERFAFCSTFKAPLVAAVLHQNPLTHLDKLITYTSDDIRSISPVAQQHVQTGMTIGQLCDAAIRYSDGTAANLLLADLGGPGGGTAAFTGYLRSLGDTVSRLDAEEPELNRDPPGDERDTTTPHAIALVLQQLVLGNALPPDKRALLTDWMARNTTGAKRIRAGFPADWKVIDKTGTGDYGRANDIAVVWSPTGVPYVVAVMSDRAGGGYDAEPREALLAEAATCVAGVLA |
3SOI Chain:B ((3-257)) | ---------------------------------------------DDFAKLEEQFDAKLGIFALDTGTNRTVAYRPDERFAFASTIKALTVGVLLQQKSIEDLNQRITYTRDDLVNYNPITEKHVDTGMTLKELADASLRYSDNAAQNLILKQIGGP----ESLKKELRKIGDEVTNPERFEPELNEVNPGETQDTSTARALVTSLRAFALEDKLPSEKRELLIDFMKRNTTGDALIRAGVPDGFEVADKTGAASYGTRNDIAIIFPPKGDPVVLAVLSSRDKKD--AKYDDKLIAEATKVVMKAL- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3SOI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -138737 for 2392 contacts (-58.0/contact) +
2D Compatibility (PS) -27801 + (NN) -18444 + (LL) 2784
1D Compatibility (HY) -20400 + (ID) 5850
Total energy: -208448.0 ( -87.14 by residue)
QMean score : 0.540
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