Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKHISMLFVFLMAVMVLSACNSSESSSNSEVSSSKTRTVKHAMGTSDNIPANPKRIVVLTNEGTEALLALGIKPVGAVKSWKGDPWYDYLKDDMKGVKNVGLETEPNVEAIAELKPDLIIGNKVRQEKIYDQLNAIAPTVFAESLAGNWKDNLTLYANAVNKADKGKEVIADFDKRVS----DLKNKLGDQTNKTVSVVRFLSGESRIYYTDSFPGIILDQLGFKRPEKQVELFKKQKDQFTFSTDSKESIPDMDADVLFYFTYKAD-NAKEN---EKWANQWTSSSLWKNLKAVKSGN-AHEVDDVVWTTAGGIKAANYLLDDIETYFLKTK 3MWG Chain:A ((54-319)) ------------------------------------------------------KRVVTLYQGATDVAVSLGVKPVGAVESWTQKPKFEYIKNDLKDTKIVGQEPAPNLEEISKLKPDLIVASKVRNEKVYDQLSKIAPTVSTDTVF-KFKDTTKLMGKALGKEKEAEDLLKKYDDKVAAFQKDAKAKYKDAWPLKASVVNFRADHTRI-YAGGYAGEILNDLGFKRNKDLQKQVDNGKDIIQLT--SKESIPLMNADHI--FVVKSDPNAKDAALVKKTESEWTSSKEWKNLDAVKNNQVSDDLDEITWNLAGGYKSSLKLIDDL--------

General information: TITO was launched using: RESULT: Template: 3MWG.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 : 1360 -80527 -59.21 -313.33 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -59.21 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.594

(partial model without unconserved sides chains): PDB file : Tito_3MWG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3MWG-query.scw PDB file : Tito_Scwrl_3MWG.pdb: