Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLLWLFEQLAGYHSSFQVVRYLTLRSLLSVLTSLTIGLVLGP--IMIRKLQALKYGQAVSSFAPENHAKKMGTPTMGGILILLSIGISTLLWADLSNPYVWIVLGVMVVFGAVGWADDWIKIRYKDNAGLPARKKFFWTSVASLGAGIALYLIATQQSNAEYTANMLDLLIPFFKNLSIPLSIVPLGLAFIVFTYLVINGASNAVNLTDGLDGLAIMPVVMVATGLGVFAYLSGDIRFANYLHIPYVKYTSELVVICSAMIGAGLAFLWYNAHPAQVFMGDVGALALGAMLGTIAVMVRQEIVFAIMGGVFVMEAVSVFLQIGSLRMRNKRVFLMAPLHHHYEKQGWKETQVVIRFWIITIMLVVLGLMTLKLR-- 2VVE Chain:A ((3-254)) ---QEQTTKSRDVNSFQIPLRDGVRELLPEDASRNRASIKSPVDIWIGGENMTALNGIVDGGRKFEAGQEFQINTFG----------SVNYWVSDEEIRVFK--------------------------EYSARAKY-----------------AQNEGRTALEAN----NVPFF-DIDVPPELDGVPFSLKARVRHKSKGVDGLGDYTS----ISVKPAFYITEGDETTD--------------TLIKYTS---------------YGSTGSHSGYDFDD-----------NTLDVMVT------LSAGVHRVFPVETELDYDAVQEV----------QHDWYDESF---TTFIEVYSDDPLLTVKGYAQILMERT

General information: TITO was launched using: RESULT: Template: 2VVE.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 : 1257 -74190 -59.02 -299.15 target 2D structure prediction score : 0.16 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -59.02 2D Compatibility (Sec. Struct. Predict.) : 0.16 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.214

(partial model without unconserved sides chains): PDB file : Tito_2VVE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2VVE-query.scw PDB file : Tito_Scwrl_2VVE.pdb: