Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLLWLFEQLAGYHSSFQVVRYLTLRSLLSVLTSLTIGLVLGPIMIRKLQALKYGQAVSSFAPENHAKKMGTPTMGGILILLSIGISTLLWADLSNPYVWIVLGVMVVFGAVGWADDWIKIRYKDNAGLPARKKFFWTSVASLGAGIALYLIATQQSNAEY-----TANMLDLLIPFFKNLSIPLSIVPLGLAFIVFTYLVING--ASNAVNLTDGLDGLAIMPVVMVATGLGVFAYLSGDIRFANYLHIPYVKYTSELVVICSAMIGAGLAFLWYNAHPAQVFMGDVGALALGAMLGTIAVMVRQEIVFAIMGGVFVMEAVSVFLQIGSLRMRNKRVFLMAPLHHHYEKQGWKETQVVIRFWIITIMLVV-------LGLMTLKLR- 4QVG Chain:A ((4-344)) ELSALVPVLFGHAAFQQLNAGCQLG------------------LFELLHE------RGPLSAEEVADALRLPRRSADILLLGTTALGL--STVTDGGYRNGAPIGAAFRDGLWPVLRDIVQYQDKIAYQPAADYVESLRTGQNAGIRHFPGTTRDLYSRLAAVPGLEELFYRGMHAWSQLSNPVLLAQPDFTR-VHRVLDVGGGDAVNAVALARAHPSL----RVTVLDRPGALEVARKTIAEAGLE--ERVRTHA--ADIFTDSYPAG--------HDCVLFAHQL-VIWSPEQNLTLLRKAYDAVEPG--GRVLVFNAFTDDDRTGPLYAALDNVYFTTLPFRHSTIHRWADCESWLREAGFTDVGRTAPPGWTPHGVVSGSRPR

General information: TITO was launched using: RESULT: Template: 4QVG.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 : 1445 -110811 -76.69 -339.91 target 2D structure prediction score : 0.37 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -76.69 2D Compatibility (Sec. Struct. Predict.) : 0.37 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.184

(partial model without unconserved sides chains): PDB file : Tito_4QVG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QVG-query.scw PDB file : Tito_Scwrl_4QVG.pdb: