Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLRSAMHASDVDDAGRALQSTQRSIVSISRLTNEMSEVRAMSEGSFGVVKCYRHDFDKLEYAVKQTKRPICGESNLQQQLQEIYALSSFP-HRHIVRYFDGWVEDRAVFVRLEKLDDCM--------ASLPPPVSESVLTAMLHQTSTALYELHSHDVVHMDVKPENILRRQLDADTFIFKLCDFGLARPLNGKDSVTGEHFLGLNDDDGDRRYMSPELLKNLHDVVGPPADMYALGKSCEAMMTATEDPSNTSARHL--ESY-SPAFIALIES--------MLCEDPARRPSAFQVVQATLPERLLSDGGLLELQRRIDAIRCEISDLDASDNDVMSSPRT 3P1A Chain:A ((56-299)) ----------------------QQSFQRLSRLGH----------GSYGEVFKVRSKEDGRLYAVKRSMSPFRGPKDRARKLAEVGSHEKVGQHPCCVRLEQAWEEGGILYLQTELCGPSLQQHCEAWGASLP----EAQVWGYLRDTLLALAHLHSQGLVHLDVKPANIFL----GPRGRCKLGDFGLLVELG--------------VQEGDPRYMAPELLQGSY---GTAADVFSLGLTILEVACNMELPHGGEGWQQLRQGYLPPEFTAGLSSELRSVLVMMLEPDPKLRATA------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3P1A.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 : 975 -15157 -15.55 -69.53 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -15.55 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.376

(partial model without unconserved sides chains): PDB file : Tito_3P1A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3P1A-query.scw PDB file : Tito_Scwrl_3P1A.pdb: