Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDYDVIVIGGGPSGLMAAISAAEKNKRVLLIEKGPKLGRKLIMSGGGRCNVTNRRPAEEIIKHIPGNGRFLYSAFHAFDNEDIIRFFERLGVALKEEDHGRMFPVSNSARSVAEAMIQRMEKLGVKIYMQTAVKQVDYEDGHVKGVTLKDGQEISASAVIVAVGGKSVPRTGSTGDGYAWAKKAGHTITELYPTEVPITSSEPFIKQKVLQGTSLRDVSLSVLNAKGKPIITHQMDMIFTHFGVSGPAALRCSMFVLRELKKTGAGTVKMRLDLFPNVSAAELSKDVYKLLEENPKKALKNSLSSLLQEKMLLFLLEKADLEETAEYKQVSPKKIEQFIQLLKDFTFEVNGTLDFEKAFVTGGGVSVKEIKPKEMQSKLMEGLFFCGEILDINGYTGGYNITCALVTGHTAGAYAAEVSNA |
4CNK Chain:A ((4-387)) | --FDTIIIGGGPAGMMATISSSFYGQKTLLLEKNKRLGKKLAGTGGGRCNVTNNGNLDDLMAGIPGNGRFLYSVFSQFDNHDIINFFTENGVKLKVEDHGRVFPVTDKSRTIIEALEKKIAELGGTVITNTEIVSVKKTD-ELFTVRSSD-QAWTCQKLIVTTGGKSYPSTGSTGFGHDIARHFKHTVTDLEAAESPLLTDFP---HKALQGISLDDVTLSY----GKHIITH--DLLFTHFGLSGPAALRLSSFV--------KGGETIYLDVLPQMS----QQDLADFLEEHREKSLKNCLKILLPERIADFFTQPF----PEKVKQLNLSEKEALIKQIKELPISVTGKMSLAKSFVTKGGVSLKEINPKTLESKLVPGLHFAGEVLDINAHTGGFNITSALCTGWVAGS-------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4CNK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -269336 for 3453 contacts (-78.0/contact) +
2D Compatibility (PS) -41932 + (NN) -15756 + (LL) 2972
1D Compatibility (HY) -32400 + (ID) 9300
Total energy: -365752.0 ( -105.92 by residue)
QMean score : 0.540
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