Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTMKQFEIAAIPGDGVGKEVVAAAEKVLHTAAEVHGGLSFSFTAFPWSCDYYLEHGKMMPEDGIHTLTQFEAVFLGAVGNPK---LVPDHISLWGLLLKIRRELELSINMRPAKQMAGI--TSPL---LHPNDFDFVVIRENSEGEY-SEVGGRIHRGDDEIAIQNAVFTRKATERVMRFAFELAKKRRSHVTSATKSNGIYHAMPFWDEVFQQTAADYSGIETSSQHIDALAAFFVTRPETFDVIVASNLFGDILTDISSSLMGSIGIAPSANINPSGKYPSMFEPVHGSAPDIAGQGLANPIGQIWTAKLMLDHFGEEELGAKILDVMEQVTADGIKTRDIGGQSTTAEVTDEICSRLRKL 3VL7 Chain:A ((14-332)) -----YQIAVLAGDGIGPEVMAEARKVLK-AVEARFGLNIEYTEYDVGGIAIDNHGCPLPEATLKGCEAADAILFGSVGGPKWEKLPPNEQPERGALLPLRGHFELFCNLRPAKLHDGLEHMSPLRSDISARGFDVLCVRELTGGIYFGKPKGRQGEGESEEAFDTMRYSRREISRIARIAFEAARGRRKKVTSVDKAN-VLACSVLWRQVVEEVAVDFPDVELEHIYIDNATMQLLRRPDEFDVMLCSNLFGDILSDEIAMLTGSMGLLSSASMNSTGF--GLFEPAGGSAPDIAGKGIANPIAQILSAALMLRHSLKQEEAASAIE-----------------------------------

General information: TITO was launched using: RESULT: Template: 3VL7.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 : 1839 -192270 -104.55 -620.23 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -104.55 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.436

(partial model without unconserved sides chains): PDB file : Tito_3VL7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VL7-query.scw PDB file : Tito_Scwrl_3VL7.pdb: