Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDEQLKMLKALTDAKGIPGNERAVRNVFREYIEPLADSFETDGLGSAVAKKVGAEDGPKIMIAGHLDEVGFMVTQIDDKGFIKFQTVGGWVSQVMLAQKVTIVTRSGEEITGVIGSKPPHVMTAADRQKSFDIKDMFIDVGAVDKAEVESYGIRPGDMIVPAFDFTVMKNEKFLLAKAWDNRIGLAIAIEVLKNLQKEQHPNIVYGVGTVQEEVGLRGAKTAAHFVQPDIGFAVDVGIAGDTPGVTDKEAMSKMGEGPQIVIYDASMVAHAGLRDFVTDVADELSIPYQFEAIPMGGTDSGSIHLTGNGIPSLSITIATRYIHSHSSMLHRDDFENAVKLITEVVKRLDKEKVTEIRLG |
3ISX Chain:A ((12-342)) | --HMKELIRKLTEAFGPSGREEEVRSIILEELEGHIDGHRIDGLGNLIVWKGS--GEKKVILDAHIDEIGVVVTNVDDKGFLTIEPVGGVSPYMLLGKRIRFENG----TIGVVGMEGETTEERQENVRKLSFDKLFIDIGANSREEAQK-MCPIGSFGVYDSGFVEVS--GKYVSKAMDDRIGCAVIVEVFKRIK---PAVTLYGVFSVQEEVGLVGASVAGYGVPADEAIAIDVTDSADTPKAI-KRHAMRLSGGPALKVKDRASISSKRILENLIEIAEKFDIKYQMEVLTFGGTNAMGYQRTREGIPSATVSIPTRYVHSPSEMIAPDDVEATVDLLIRYLG------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3ISX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -206710 for 2809 contacts (-73.6/contact) +
2D Compatibility (PS) -35850 + (NN) -12143 + (LL) 1804
1D Compatibility (HY) -23600 + (ID) 5250
Total energy: -281749.0 ( -100.30 by residue)
QMean score : 0.474
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