Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --MVKIFIDPGHGGSDPGAT---------------------GNGLQEKTLTLQIALALRTILTNEYEGVSLLLSRTSDQYV--SLNDRTNAANNWGADFFLSIHVNSGGGTGFESYIYP-------DVGAPTTTYQSTIHSEVIQ-----AVDFADRGKKT-ANFHVLRESAMPALLTENGFIDTVSDANKLKTSSFIQSLARGHANGLEQAFNLKKTSSSGLYKVQIGAFKVKANADSLASNAEAKGFDSIVLLKDGLYKVQIGAFSSKDNADTLAARAKNAGFDAIVILES 4M6G Chain:A ((8-221)) IAGMVVFIDPGHNGANDASIGRQVPTGRGGTKNCQASGTSTNSGYPEHTFTWETGLRLRAALNAL--GVRTALSRGNDNALGPCVDERANMANALRPNAIVSLHADGGPASGRGFHVNYSAPPLNAIQAGPSVQFARIMRDQLQASGIPKANYIGQDGLYGRSDLAGLNLAQYPSILVELGNMKNPADSALMESAEGRQKYANALVRGVAGFLATQ-----------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4M6G.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 : 932 -69173 -74.22 -393.03 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -74.22 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.408

(partial model without unconserved sides chains): PDB file : Tito_4M6G.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4M6G-query.scw PDB file : Tito_Scwrl_4M6G.pdb: