Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | LQNYSKSEKAFKEAKKVLPGGVNSPV---RAFNSVDASPVFMDHGKGAYITDVDGNEYIDYVLSWGPLILGHTDPAVVNAITKAALKGTSFGTPTEIETELAKLVIERVPSIEIVRMVSSGTEATMSAIRLARGYTKREKILKFEGSYHGHGDSLLIKAGSGVATLGLPDSPGVTKGLAADTITVPYNDIEGAKLAFEKYGEEIAAVIVEPVAGNMGVVPPIEGFLEGLRELTTKFGSLLIFDEVMTGFRVDYYSAQGYYVVTPDLTCLGKVIGGGLPVGAYGGKKEIMEQIAPA--GSIYQAGTLSGNPLAMNAGFETVRQL-TPQHYDVFRTLIKRMEEGLTEISARRQVPLSINKAGSMFGFFFTDQKVINFDTAKTSNLEFFRNYYREMLGQGIFLPPSQFEGVFISTMHTENEIDKTLEAFDTTCKILRG |
2YKX Chain:A ((62-431)) | -----------ERARRSMPGGNTRSILFHRPF------PLVIAQGTGSRFQDVDGHAYVNFLGEYTAGLFGHSHPVIRAAVERALAVGLNLSTQTENEALFAEAVCDRFPSIDLVRFTNSGTEANLMALATATAITGRKTVLAFDGGYHGG----LLNFASGHAPTNAPYH--VVLGV--------YNDVEGTADLLKRHGHDCAAILVEPMLGAGGCVPAERAFLDLLRAEASRCGALLIFDEVMTS-RLSGGGAQEMLGISADLTTLGKYIGGGMSFGAFGGRRDLMERFDPARDGAFAHAGTFNNNILTMSAGHAALTQIYTRQAASDLSASGDRFRANLNRIAVENQAPLQFTGLGSLGTIHFSRAPIRSAGDVRAADQQLKELFFFHMLRKGIYLAP--------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2YKX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -135300 for 3019 contacts (-44.8/contact) +
2D Compatibility (PS) -39513 + (NN) -18815 + (LL) 3572
1D Compatibility (HY) -23600 + (ID) 6550
Total energy: -220206.0 ( -72.94 by residue)
QMean score : 0.545
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