Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGAIMLDGKATRDEIFGDLKQRVAALDAA--GRTPGLGTILVGDDPGSQAYVRGKHADCAKVGITSIRRDLPADISTATLNETIDELNANPDCTGYIVQLPL--PKHLDENAALERVDPAKDADGLHPTNLGRLVLG--TPAPLPCTPRGIVHLLRRYDISIAGAHVVVIGRGVTVGRPLGLLLTRRSENATVTLCHTGTRDLPALTRQADIVVAAVGVAHLLTADMVRPGAAVIDVGVSRTDDGLVGDV-HPDVWELAGHVSPNPGGVGPLTRAFLLTNVVELAERR |
1A4I Chain:A ((4-293)) | --AEILNGKEISAQIRARLKNQVTQLKEQVPGFTPRLAILQVGNRDDSNLYINVKLKAAEEIGIKATHIKLPRTTTESEVMKYITSLNEDSTVHGFLVQLPLDSENSINTEEVINAIAPEKDVDGLTSINAGRLARGDLNDCFIPCTPKGCLELIKETGVPIAGRHAVVVGRSKIVGAPMHDLLLWN--NATVTTCHSKTAHLDEEVNKGDILVVATGQPEMVKGEWIKPGAIVIDCGINY---KVVGDVAYDEAKERASFITPVPGGVGPMTVAMLMQSTVESAKR- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1A4I.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -185575 for 2378 contacts (-78.0/contact) +
2D Compatibility (PS) -29125 + (NN) -6356 + (LL) 112
1D Compatibility (HY) -18000 + (ID) 5100
Total energy: -244044.0 ( -102.63 by residue)
QMean score : 0.499
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