Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MDDKDIDKELRQKLNFSYCEETEIEGQKKVEESREASSQTPEKGEVQDSEAKGTPPWTPLSNVHELDTSSEKDKESPDQILRTPVSHPLKCPETPAQPDSRSKLLPSDSPSTPKTMLSRLVISPTGKLPSRGPKHLKLTPAPLKDEMTSLALVNINPFTPESYKKLFLQSGGKRKIRGDLEEAGPEEGKGGLPAKRCVLRETNMASRYEKEFLEVEKIGVGEFGTVYKCIKRLDGCVYAIKRSMKTFTELSNENSALHEVYAHAVLGHHPHVVRYYSSWAEDDHMI-------IQNEYCNGGSLQAAI-SENTKSGNHFEEPKLKDILLQISLGLNYIHNSSMVHLDIKPSNIFICHKMQSESSGVIEEVENEADWFLSANVMYKIGDLGHATSINKPKVEE-GDSRFLANEILQEDYRHLPKADIFALGLTIAVAAGAESLPTNGAAWHHIRKGNFPDVPQELSESFSSLLKNMIQPDAEQRPSAAALARNTVLRPSLGKTEELQQQLNLEKFKTATLERELREAQQAQSPQGYTHHGDTGVSGTHTGSRSTKRLVGGKSARSSSFTSGEREPLH |
| 1ZYD Chain:A ((3-221)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RYASDFEEIAVLGQGAFGQVVKARNALDSRYYAIKKIRHTEEKLS---TILSEVMLLASLNHQ-YVVRYYAAWLERRNFVKKKSTLFIQMEYCENRTLYDLIHSENLNQ----QRDEYWRLFRQILEALSYIHSQGIIHRDLKPMNIFI-----DESRNV-----KIGDFGLAK----------------------IGTAMYVATEVLDGTGHYNEKIDMYSLGIIF----------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1ZYD.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -69468 for 1243 contacts (-55.9/contact) +
2D Compatibility (PS) -18454 + (NN) 26 + (LL) 18012
1D Compatibility (HY) -15600 + (ID) 3450
Total energy: -88934.0 ( -71.55 by residue)
QMean score : 0.084
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