Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHRGKGMKFVGDSRIPAEKKPNIPKDYSEYPGKTEAFWPNFLLKEWMVGAVFLIGFLVLTIVHQPPLERMADPTDTGYIPLPDWYFLFLYQLLKYEYAAGSFTVVGAMIMPGLAFGALLLAPFLDRGTERRPWKRPVAVGMMLLAISAAVFLTWQSVATHDWAKAEEQGKITKEADIDTNAEGYKVFKE---QGCISCHGDNLQG--GAAGPSLVDSGLKPDEIKKIAVEGKGKMPAGVFKGNDKQLEELAKFISETTAK 4PWA Chain:A ((3-84)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EDKLALGREIFLERSEPQCALCHTLADAEAVGEVGPNLDELKPDAERVNTAVTNGIGPMPANE-ILTDEEIEAVALYVSTVAG-

General information: TITO was launched using: RESULT: Template: 4PWA.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 : 312 5275 16.91 68.50 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.51 3D Compatibility (PKB) : 16.91 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.51 QMean score : 0.722

(partial model without unconserved sides chains): PDB file : Tito_4PWA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PWA-query.scw PDB file : Tito_Scwrl_4PWA.pdb: