Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTKKSRFDQFGFQPFIGLAIDKLGFYEPTEVQQKLIPGILKGESIIGQSQTGTGKTHTFILPIINNVNPEKD---AVQAVITAPSRELATQIYNEIRKVTKYSEKEIAVQLVIGGTDKQRAIDKLKKQPQIIVGTPGRINDLIREQALFVHTAKTLVIDEADMTLDMGFLNDVDHIAGKMPANLQMLVFSATIPQKLKPFLSKYMENPRYEHI---QPKVAASKTVEHRIMATRSRNKLDLLKNVLVGSQPYLAIVFTNTKTTADEVANGLIERGLKVAKIHGDVNPRERKRTMKQIENLDYQYVVATDLAARGIDIQGISHVVNYELPDDLDFYIHRTGRTGRAGHSGIALTLFEPADEDRLNQLEK-MGIEFKHVDWKNKEFVTLEDRNRRAKREAKRETADPREIGMRKKAKQKGKPNYKKKINYKMNEIKRRERRKKR |
4KBF Chain:A ((3-365)) | ------FKDFPLKPEILEALHGRGLTTPTPIQAAALPLALEGKDLIGQARTGTGKTLAFALPIAERLAPSQERGRKPRALVLTPTRELALQVASELTAVAPH----LKVVAVYGGTGYGKQKEALLRGADAVVATPGRALDYLRQGVLDLSRVEVAVLDEADEMLSMGFEEEVEALLSATPPSRQTLLFSATLPSWAKRLAERYMKNPVLINVIKDEP-----VTYEEEAVPAPVRGRLEVLSDLLYVASPDRAMVFTRTKAETEEIAQGLLRLGHPAQALHGDLSQGERERVLGAFRQGEVRVLVATDVAARGLDIPQVDLVVHYRLPDRAEAYQHRSGRTGRAGRGGRVVLLYGPRERRDVEALERAVGRRFKRVN---------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4KBF.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -221499 for 3040 contacts (-72.9/contact) +
2D Compatibility (PS) -38603 + (NN) -16823 + (LL) 5664
1D Compatibility (HY) -20800 + (ID) 6600
Total energy: -298661.0 ( -98.24 by residue)
QMean score : 0.581
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