Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGEKMAIWRTKKPATKQKIVSDLQELGIKKGDTIIFHASMSKAHWICGGPVTVILALQELVGELGNIVMPAQTGQLSDPAKWENPPVPESWWKIIRRETPPFDPLVTPTRGMGVIAETFRTMPDVERSFHPYHSFCAWGKDKKQILANQPLAKSMGDESPLGKMYQLDAKIILFGVDNNNNTSLHLAEERSNAFPLI--ENQAAFLKNGEIIWEKYQEIDYNSEVFIALGRAYEK-EHDFHPTTIIGAPTKIYDMRDLVDFGTKYFQTKNH |
3SMA Chain:A ((19-279)) | ----------RELVTRDRLASDLAALGVRPGGVLLVHASLSALGWVCGGAQAVVLALQDAVGKEGTLVMPTFSGDLSDPSTWRRPPVPEDWWPVIREQMPPFDPDLTPTRGMGAVAECFRRAAGAVRSGHPQNSFAAWGAHAEQVVAEHGLTERLGRGSPLEQVYRLDGQVLLLGCGFESNTSFHLAEYRTAYPGRRSHRRRVPVPEGDRVRWVEQEDIVYFEEDFQTMGESCLTRTPGHSRGTVGEAAAVLYGQRAFVDLACEWMTAHRD |
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General information:
TITO was launched using:
| RESULT:
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Template: 3SMA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -94436 for 2172 contacts (-43.5/contact) +
2D Compatibility (PS) -27945 + (NN) -10549 + (LL) 1068
1D Compatibility (HY) -16800 + (ID) 4900
Total energy: -153562.0 ( -70.70 by residue)
QMean score : 0.491
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