Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MDDKDIDKELRQKLNFSYCEETEIEGQKKVEESREASSQTPEKGEVQDSEAKGTPPWTPLSNVHELDTSSEKDKESPDQILRTPVSHPLKCPETPAQPDSRSKLLPSDSPSTPKTMLSRLVISPTGKLPSRGPKHLKLTPAPLKDEMTSLALVNINPFTPESYKKLFLQSGGKRKIRGDLEEAGPEEGKGGLPAKRCVLRETNMASRYEKEFLEVEKIGVGEFGTVYKCIKRLDGCVYAIKRSMKTFTELSNENSALHEVYAHAVLGHHPHVVRYYSSWAEDDHMI-------IQNEYCNGGSLQAAI-SENTKSGNHFEEPKLKDILLQISLGLNYIHNSSMVHLDIKPSNIFICHKMQSESSGVIEEVENEADWFLSANVMYKIGDLGHATSINKPKVEEGDSRFLANEILQEDYRHLPKADIFALGLTIAVAAGAESLPTNGAAWHHIRKGNFPDVPQELSESFSSLLKNMIQPDAEQRPSAAALARNTVLRPSLGKTEELQQQLNLEKFKTATLERELREAQQAQSPQGYTHHGDTGVSGTHTGSRSTKRLVGGKSARSSSFTSGEREPLH |
| 1ZY5 Chain:A ((3-221)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RYASDFEEIAVLGQGAFGQVVKARNALDSRYYAIKKIRHTEEKLS---TILSEVMLLASLNHQ-YVVRYYAAWLERRNFVKKKSTLFIQMEYCENGTLYDLIHSENLNQ----QRDEYWRLFRQILEALSYIHSQGIIHRDLKPMNIFI-----DESRNV-----KIGDFGLAKNV-HR-------------------AMYVATEVLDGTGHYNEKIDMYSLGIIF----------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1ZY5.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -74016 for 1239 contacts (-59.7/contact) +
2D Compatibility (PS) -18415 + (NN) 2590 + (LL) 17496
1D Compatibility (HY) -15600 + (ID) 3550
Total energy: -91495.0 ( -73.85 by residue)
QMean score : 0.090
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