Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -MTARAEAGSALRRRFGTPDSRTSDELPNTTLDLLIGSSGGALLAEIVG----ERGGEVVGW--SVRQVDHRPGVSVTVTYRCDVRWGD-GLRRETLGASIGRPKHHDA---PGVRTLDVDGQPAAVWMFPDDPGLPALRTALDPAAVGRLLGHHPVETTLRAYRPTRRAVVEATTPGGRVFLKVLRPAKAEALRRRHLL----LTGAGVPVPDVLDHRGD----GLLVLAPLAGTTLRDAVRTGGLVPSPRELLDVLDRLPAELCDQPRRAAWSENADYYATLVGAALPAEADRAATLADRVLDRIAGLPDDGPTH---------------GDFYEAQL--LLTGGRLTGVLD------VDSAGPGRRADDLACLVAHLE-------TLSLMPGWDGPRLRRLAREYAAAFAADLARRGTDPAELN---ARIAGVLLSLATGPHRVQEPDWQAQTAARLSAADAWLTPARHGSRGLRYGDPMGRIVFMCGPAGAGKSTYARRLEADGFVRLSIDAAAWAAGHREQPLAEPVRSRFERE------------VQERLVALAADGADVVVDLSFWSRRMRDTYRALLAPLGVVPETVYL---ATPRDVVLARVAARTGSHADDVVLDEATAALYSDHFEAPTADEGPLTVVTPSG---------------- 3ZVR Chain:A ((25-763)) GMEDLIPLVNRLQDAFSAIGQNADLDLPQIAVVGGQSAGKSSVLENFVGRDFLPRGSGIVTRRPLVLQLVNSTTEYAEFLHCKGKKFTDFEEVRLEIEAETDRVTGTNKGISPVPINLRVYSPHVLNLTLVDLPGMTKVPVGDQPPDIEFQIRDMLMQFVTKENCLILAVSPANSDLANSDALKIAKEVDPQGQRTIGVITKLDLMDEGTDARDVLENKLLPLRRGYIGVVNRSQKDIDGKKDITAALAAERKFFLSHPSYRHLADRMGTPYLQKVLNQQLTNHIRDTLPGLRNKLQSQLLSIEKEVDEYKNFRPDDPARKTKALLQMVQQFAVDFEKRIEGLSGGARINRIFHERFPFELVKMEFDEKELRREISYAIKNIHFTPDLAFEATVKKQVQKLKEPSIKCVDMVVSELTSTIRKCSEKLQQYPRLREEMERIVTTHIREREGRTKEQVMLLIDIELAYMNTNHEDFIGFILVIRKGWLTINNIGIMSKEYWFVLTAENLSWYKDDEEKEKKYMLSVDNLKLRDVKHIFALFNTEQRNVYKDYRQLELACETQEEVDSWKASFLRAGVYPEPQLERQVETIRNLVDSYMAIVNKTVRDLMPKTIMHLMINNTKEFIFSELLANLYSCGDQNTLMEESAEQAQRRDEMLRMYHALKEALSIIG

General information: TITO was launched using: RESULT: Template: 3ZVR.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 2491 77995 31.31 133.10 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 31.31 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.165

(partial model without unconserved sides chains): PDB file : Tito_3ZVR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3zvr-query.scw PDB file : Tito_Scwrl_3ZVR.pdb: