Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDDKDIDKELRQKLNFSYCEETEIEGQKKVEESREASSQTPEKGEVQDSEAKGTPPWTPLSNVHELDTSSEKDKESPDQILRTPVSHPLKCPETPAQPDSRSKLLPSDSPSTPKTMLSRLVISPTGKLPSRGPKHLKLTPAPLKDEMTSLALVNINPFTPESYKKLFLQSGGKRKIRGDLEEAGPEEGKGGLPAKRCVLRETNMASRYEKEFLEVEKIGVGEFGTVYKCIKRLDGCVYAIKRSMKTFTELSNENSALHEVYAHAVLGHHPHVVRYYSSWAEDD-------HMIIQNEYCNGGSLQAAISENTKSGNHFEEPKLKDILLQISLGLNYIHNSSMVHLDIKPSNIFICHKMQSESSGVIEEVENEADWFLSANVMYKIGDLGHATSINKPKVEEGDSRFLANEILQEDYRHLPKADIFALGLTIAVAAGAESLPTNG---AAWHHIRKG--NFP-DVPQELSESFSSLLKNMIQPDAEQRPSAAALARNTVLRPSLGKTEELQQQLNLEKFKTATLERELREAQQAQSPQGYTHHGDTGVSGTHTGSRSTKRLVGGKSARSSSFTSGEREPLH |
1ZY4 Chain:A ((2-290)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LRYASDFEEIAVLGQGAFGQVVKARNALDSRYYAIKKIRH---TEEKLSTILSEVMLLASL-NHQYVVRYYAAWLERRNFVKKKSTLFIQMEYCENGTLYDLIHSE---NLNQQRDEYWRLFRQILEALSYIHSQGIIHRDLKPMNIFIDES-----------------------RNVKIGDFGLAKNVHR-------AMYVATEVLDGTGHYNEKIDMYSLGIIFFEMIY--PFSTGMERVNILKKLRSVSIEFPPDFDDNKMKVEKKIIRLLIDHDPNKRPGARTLLNSGWLPVKHQDEVIKEALKS------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 1ZY4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -115059 for 1848 contacts (-62.3/contact) +
2D Compatibility (PS) -25988 + (NN) -9662 + (LL) 14056
1D Compatibility (HY) -18000 + (ID) 3800
Total energy: -158453.0 ( -85.74 by residue)
QMean score : 0.417
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