Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTMKQFEIAAIPGDGVGKEVVAAAEKVLHTAAEVHGGLSFSFTAFPWSCDYYLEHGKMMPEDGIHTLTQFEAVFLGAVGNPK---LVPDHISLWGLLLKIRRELELSINMRPAKQMAGI--TSPL---LHPNDFDFVVIRENSEGEY-SEVGGRIHRGDDEIAIQNAVFTRKATERVMRFAFELAKKRRSHVTSATKSNGIYHAMPFWDEVFQQTAADYSGIETSSQHIDALAAFFVTRPETFDVIVASNLFGDILTDISSSLMGSIGIAPSANINPSGKYPSMFEPVHGSAPDIAGQGLANPIGQIWTAKLMLDHFGEEELGAKILDVMEQVTADGIKTRDIGGQSTTAEVTDEICSRLRKL 3VKZ Chain:A ((14-332)) -----YQIAVLAGDGIGPEVMAEARKVLK-AVEARFGLNIEYTEYDVGGIAIDNHGCPLPEATLKGCEAADAILFGSVGGPKWEKLPPNEQPERGALLPLRGHFELFCNLRPAKLHDGLEHMSPLRSDISARGFDVLCVRELTGGIYFGKPKGRQGEGESEEAFDTMRYSRREISRIARIAFEAARGRRKKVTSVDKAN-VLACSVLWRQVVEEVAVDFPDVELEHIYIDNATMQLLRRPDEFDVMLCSNLFGDILSDEIAMLTGSMGLLSSASMNSTGF--GLFEPAGGSAPDIAGKGIANPIAQILSAALMLRHSLKQEEAASAIE-----------------------------------

General information: TITO was launched using: RESULT: Template: 3VKZ.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 : 1722 -181827 -105.59 -586.54 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -105.59 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.456

(partial model without unconserved sides chains): PDB file : Tito_3VKZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VKZ-query.scw PDB file : Tito_Scwrl_3VKZ.pdb: