Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MDDKDIDKELRQKLNFSYCEETEIEGQKKVEESREASSQTPEKGEVQDSEAKGTPPWTPLSNVHELDTSSEKDKESPDQILRTPVSHPLKCPETPAQPDSRSKLLPSDSPSTPKTMLSRLVISPTGKLPSRGPKHLKLTPAPLKDEMTSLALVNINPFTPESYKKLFLQSGGKRKIRGDLEEAGPEEGKGGLPAKRCVLRETNMASRYEKEFLEVEKIGVGEFGTVYKCIKRLDGCVYAIKRSMKTFTELSNENSALHEVYAHAVLGHHPHVVRYYSSWAEDD-------HMIIQNEYCNGGSLQAAISENTKSGNHFEEPKLKDILLQISLGLNYIHNSSMVHLDIKPSNIFICHKMQSESSGVIEEVENEADWFLSANVMYKIGDLGHATSINKPK---VEEGDSRFLANEILQEDYRHLPKADIFALGLTIAVA-AGAESLPTNGAAWHHIRKGNFPDVPQELSESFSSLLKNMIQPDAEQRPSAAALARNTVLRPSLGKTEELQQQLNLEKFKTATLERELREAQQAQSPQGYTHHGDTGVSGTHTGSRSTKRLVGGKSARSSSFTSGEREPLH |
| 2A19 Chain:B ((4-269)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TVDKRFGMDFKEIELIGSGGFGQVFKAKHRIDGKTYVIKRVKYN------NEKAEREVKALAKL-DHVNIVHYNGCWDGFDYDRSKTKCLFIQMEFCDKGTLEQWIEKR--RGEKLDKVLALELFEQITKGVDYIHSKKLINRDLKPSNIFLVDT-----------------------KQVKIGDFGLVTSLKNDGKRTRSKGTLRYMSPEQISSQ-DYGKEVDLYALGLILAELLHVCDTAFETSKFFTDLRDGIISD---IFDKKEKTLLQKLLSKKPEDRPNTSEILRTL----------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2A19.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -96884 for 1882 contacts (-51.5/contact) +
2D Compatibility (PS) -26177 + (NN) -9415 + (LL) 14488
1D Compatibility (HY) -14400 + (ID) 3750
Total energy: -136138.0 ( -72.34 by residue)
QMean score : 0.195
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