Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTSYGIDGEVEQRYRILRHIGSGAYGVVWCALDRRTGKCVALKKVYDAFGNVQDAQRTYREVMLLQRLRHNPFIVGILDVIRAANDI----DLYLVFELIETDLTAIIRKNL-LQRDHKRFLTYQLLRTVAQLHAQNIIHRDLKPANIFVSSDCSIKLGDFGLARTFRSGFDNEQEFLDLTDYIATRWYRSPEILVKSRAYSTAMDMWAIGCVIGEMLLGHPLFEGRNTLDQLRLIVEAIGVPSDADVRSLHSPELETLINSLPTPLIFSPLVGNKNLKDSEATDLMMKLIVFNPKRRLSAVEALQHPYVAPFVQPGELEKIQDLDPLVLPLVDEKVYTKEEYKANLYDEIGMRYRHHITDVY 4B99 Chain:A ((48-386)) -----VTFDVGDEYEIIETIGNGAYGVVSSARRRLTGQQVAIKKIPNAFDVVTNAKRTLRELKILKHFKHD-NIIAIKDILRPTVPYGEFKSVYVVLDLMESDLHQIIHSSQPLTLEHVRYFLYQLLRGLKYMHSAQVIHRDLKPSNLLVNENCELKIGDFGMARGL-------QYFM--TEYVATRWYRAPELMLSLHEYTQAIDLWSVGCIFGEMLARRQLFPGKNYVHQLQLIMMVLGTPSPAVIQ-----RVRAYIQSLP-PRQPVPWETVYPGADRQALSLLGRMLRFEPSARISAAAALRHPFLAKYHDP---DDEPDCAPPFDFAFDREALTRERIKEAIVAEI------------

General information: TITO was launched using: RESULT: Template: 4B99.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 : 1503 -65893 -43.84 -204.64 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -43.84 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.442

(partial model without unconserved sides chains): PDB file : Tito_4B99.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4B99-query.scw PDB file : Tito_Scwrl_4B99.pdb: