Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQQQSNMQNKFLIDAEIGDDDVTLPNLPAIDVPIVESPVKQEVKAEEVVEAAPSTEPEQPKSGFFGRMKEGLSKTRRNFTDGMVNILIGGKEIDDELLEEVEGQLLVADIGVDATKTIITNLTERTARGDLIYSHSLYKALQEELVALLAPRVKPLHIDPNKSPYVILMVGVNGVGKTTTIGKLAKRLQGEGKKVMLAAGDTFRAAATEQLQIWGERNDIAVVAQGHGADSASVIFDASESARAKGIDVLIADTAGRLHNKSNLMEELKKVKRVMQKIDATAPHEIMLVVDAGTGQNAINQVQEFDQAVGLTGITITKLDGTAKGGVLFNIASRTHVPIRFIGVGEKIDDLRPFSAKSFVAALFETEK 1VMA Chain:A ((14-304)) --------------------------------------------------------------GLFDFLKKGLQKTKETFF-GRVVKLLKGKKLDDETREELEELLIQADVGVETTEYILERLEEKD--GDALES------LKEIILEILNFDTK-LNVPP-EPPFVIMVVGVNGTGKTTSCGKLAKMFVDEGKSVVLAAADTFRAAAIEQLKIWGERVGATVISHSEGADPAAVAFDAVAHALARNKDVVIIDTAGRLHTKKNLMEELRKVHRVVKKKIPDAPHETLLVIDATTGQNGLVQAKIFKEAVNVTGIILTKLDGTAKGGITLAIARELGIPIKFIGVGEKAEDLRPFDPEAFVEVLL----

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 A - contact count / total energy / energy per contact / energy per residue : 1669 -200051 -119.86 -687.46 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -119.86 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.609

(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: