Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | LQNYSKSEKAFKEAKKVLPGGVNSPVRAFNSVDASPVFMDHGKGAYITDVDGNEYIDYVLSWGPLILGHTDPAVVNAITKAA--LKGTSFGTPTEIETELAKLVIERVPSIEIVRMVSSGTEATMSAIRLARGYTK------REKILKFEGSYHGHGDSLLIKAGSGVATLGLPDSPGVTKGLA---ADTITVPYNDIEGAKLAFEKYGEEIAAVIVEPVAGNMGVVPPIEGFLEGLRELTTKFGSLLIFDEVMTGF-RVDYYSAQGYYVVTPDLTCLGKVIGGGLPVGAYGGKKEIME--QIAPAGSIYQAGTLSGNPLAM---NAGFETVRQLTPQHYDVFRTLIKRMEEGLTEISARRQVPLSINKAGSMFGFFFTDQKVINFDTAKTSNLEFFRNYYREMLGQGIFLPPSQFEGVFISTMHTENEIDKTLEAFDTTCKILRG |
4JEZ Chain:B ((46-358)) | -----------------------------------------GKGSRVWDQQGKEYIDFAGGIAVTALGHCHPALVEALKSQGETLWHTSRVFTNEPALRLGRKLIDATFA-ERVLFMNSGTEANETAFKLARHYACVRHSPFKTKIIAFHNAFHGR--SLF--------TVSVGGQPKYSDGFGPKPADIIHVPFNDLHAVKAVMD---DHTCAVVVEPIQGEGGVQAATPEFLKGLRDLCDEHQALLVFDEVQCGMGRTGDLFAYMHYGVTPDILTSAKALGGGFPVSAMLTTQEIASAF-----GSTY-----GGNPLACAVAGATFDIIN--TPEVLQGIHTKRQQFVQHLQAIDEQFDIFSDIRGMGLLIG----------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4JEZ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -125422 for 2443 contacts (-51.3/contact) +
2D Compatibility (PS) -31904 + (NN) -14686 + (LL) 8356
1D Compatibility (HY) -16000 + (ID) 5350
Total energy: -185006.0 ( -75.73 by residue)
QMean score : 0.505
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