Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKHYDTIIIGGGPAGMMAAISSNFYGNKTLLIEKNKRLGKKLAGTGGGRCNVTNNGNLDELLAGIPGNGRFLYSVFSQFDNHDIINFFQDNGVTLKEEDHGRMFPTTDKSRTIINALENKIKELGGQIMTDTEVVSVKKIGDSFYIKTKDTQFASDKLIVTTGGKSYPSTGSTGFGHDIARHFKLEVTDMEAAESPLLTDFPHKKLQGISLDDVTLSFEKHIITHDLLFTHFGLSGPAALRISSFVKGGETIYLDVLPNISVKELETHFQNEREKSLKNALKILLPERLAEFYAEDLPEKVKQVSVKDLETLIQKLKKLPILVTGKMSLAKSFVTKGGVDLKEINPKTLESKKVAGLHFAGEVLDINAHTGGFNITSALCTGWVAGSLHY |
4CNJ Chain:B ((1-390)) | MNHFDTIIIGGGPAGMMATISSSFYGQKTLLLEKNKRLGKKLAGTGGGRCNVTNNGNLDDLMAGIPGNGRFLYSVFSQFDNHDIINFFTENGVKLKVEDHGRVFPVTDKSRTIIEALEKKIAELGGTVITNTEIVSVKKTDELFTVRSSDQAWTCQKLIVTTGGKSYPSTGSTGFGHDIARHFKHTVTDLEAAESPLLTDFPHKALQGISLDDVTLSYGKHIITHDLLFTHFGLSGPAALRLSSFVKGGETIYLDVLPQMSQQDLADFLEEHREKSLKNCLKILLPERIADFFTQPFPEKVKQLNLSEKEALIKQIKELPISVTGKMSLAKSFVTKGGVSLKEINPKTLESKLVPGLHFAGEVLDINAHTGGFNITSALCTGWVAGSLHY |
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General information:
TITO was launched using:
| RESULT:
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Template: 4CNJ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -209817 for 3462 contacts (-60.6/contact) +
2D Compatibility (PS) -41762 + (NN) -8027 + (LL) 0
1D Compatibility (HY) -47600 + (ID) 15550
Total energy: -322756.0 ( -93.23 by residue)
QMean score : 0.515
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