Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQQQSNMQNKFLIDAEIGDDDVTLPNLPAIDVPIVESPVKQEVKAEEVVEAAPSTEPEQPKSGFFGRMKEGLSKTRRNFTDGMVNILIGGKEIDDELLEEVEGQLLVADIGVDATKTIITNLTERTARGDLIYSHSLYKALQEELVALLAPRVKPLHIDPNKSPYVILMVGVNGVGKTTTIGKLAKRLQGEGKKVMLAAGDTFRAAATEQLQIWGERNDIAVVAQGHGADSASVIFDASESARAKGIDVLIADTAGRLHNKSNLMEELKKVKRVMQKIDATAPHEIMLVVDAGTGQNAINQVQEFDQAVGLTGITITKLDGTAKGGVLFNIASRTHVPIRFIGVGEKIDDLRPFSAKSFVAALFETEK 1VMA Chain:B ((13-305)) -------------------------------------------------------------MGLFDFLKKGLQKTKETFFGRVVKLLKG-KKLDDETREELEELLIQADVGVETTEYILERLEEKDG--------DALESLKEIILEILNFDT-KLNVP-PEPPFVIMVVGVNGTGKTTSCGKLAKMFVDEGKSVVLAAADTFRAAAIEQLKIWGERVGATVISHSEGADPAAVAFDAVAHALARNKDVVIIDTAGRLHTKKNLMEELRKVHRVVKKKIPDAPHETLLVIDATTGQNGLVQAKIFKEAVNVTGIILTKLDGTAKGGITLAIARELGIPIKFIGVGEKAEDLRPFDPEAFVEVLLS---

General information: TITO was launched using: RESULT: Template: 1VMA.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1685 -204094 -121.12 -696.57 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.80 3D Compatibility (PKB) : -121.12 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.593

(partial model without unconserved sides chains): PDB file : Tito_1VMA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1VMA-query.scw PDB file : Tito_Scwrl_1VMA.pdb: