Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKHVNKVALIGAGFVGSSYAFALINQGITDELVVIDVNKEKAMGDVMDLNHGKAFAPQPVKTSYGTYEDCKDADIVCICAGANQKPGETRLELVEKNLKIFKGIVSEVMASGFDGIFLVATNPVDILTYATWKFSGLPKERVIGSGTTLDSARFRFMLSEYFGAAPQNVHAHIIGEHGDTELPVWSHANVGGVPVSELVEKNDAYK----QEELDQIVDDVKNAAYHIIEKKGATYYGVAMSLARITKAILHNENSILTVSTYLDGQYGADDVYIGVPAVVNRGGIAGITELNLNEKEKEQFLHSAGVLKNILKPHFAEQKVN 4M1Q Chain:A ((25-336)) --TKTSRVVIIGTGAVGSSYAFSMINQNVTDEMVLIDLDKRKTEGDAMDLNHGIPFGA-PTKVWAGDYGDCKSADIVVITAGAAQKPGETRLDLVEKNANIFKGIVDQVMGSGFNGIFIIATNPVDVLAYATWKFSGLPKERVIGSGTILDTARFRFLLSEYFDIDVRNIHGYIMGEHGDTELPVWSQTRIGSEPISRYMDK---YKPDGSNKDLDEIFVNVRDAAYHIIERKGATHYAIAMGLARLTKAILRNEQSILTVSTLMEGEYDLDDVYIGVPAIVSQKGVERAIEIDLNDEEMKKLHHSSNTLKDVMKPIF------

General information: TITO was launched using: RESULT: Template: 4M1Q.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 : 1728 -246413 -142.60 -800.04 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain A : 0.91 3D Compatibility (PKB) : -142.60 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.91 QMean score : 0.632

(partial model without unconserved sides chains): PDB file : Tito_4M1Q.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4M1Q-query.scw PDB file : Tito_Scwrl_4M1Q.pdb: