Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLLLKKHTEDISSVYEIRERLGSGAFSEVVLAQERGSAHLVALKCIPKKALRGKEALVENEIAVLRRISHPNIVALEDVHESPSHLYLAMELVTGGELFDRIMERGSYTEKDASHLVGQVLGAVSYLHSLGIVHRDLKPENLLYATPFEDSKIMVSDFGL-SKIQAGNMLGTACGTPGYVAPELLEQKPYGKAVDVWALGVISYILLCGYPPFYDESDPELFSQILRASYEFDSPFWDDISESAKDFIRHLLERDPQKRFTCQQALRHLWISGDTAFDRDILGSVSEQIRKNFARTHWKRAFNATSFLRHIRKLGQIPEGEGASEQGMARHSHSGLRAGQPPKW |
3F3Z Chain:A ((6-265)) | ---------DINQYYTLENTIGRGSWGEVKIAVQKGTRIRRAAKKIPKYFVEDVDRF-KQEIEIMKSLDHPNIIRLYETFEDNTDIYLVMELCTGGELFERVVHKRVFRESDAARIMKDVLSAVAYCHKLNVAHRDLKPENFLFLTDSPDSPLKLIDFGLAARFKPGKMMRTKVGTPYYVSPQVLEGL-YGPECDEWSAGVMMYVLLCGYPPFSAPTDSEVMLKIREGTFTFPEKDWLNVSPQAESLIRRLLTKSPKQRITSLQALEHEWFEKQLSSSPRNLL------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3F3Z.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -192288 for 2021 contacts (-95.1/contact) +
2D Compatibility (PS) -27753 + (NN) -16372 + (LL) 4636
1D Compatibility (HY) -26000 + (ID) 5250
Total energy: -263027.0 ( -130.15 by residue)
QMean score : 0.552
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