Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKTIGFIGLGVMGKSMASHILNDGHPVLVYTRTKEKAESILQKGAIWKDTVKDLSKEADVIITMVGYPSDVEEVYFGSNGIIENAKEGAYLIDMTTSKPSLAKKIAEAAKEKALFALDAPVSGGDIGAQNGTLAIMVGGEKEAFEACMPIFSLMGENIQYQGPAGSGQHTKMCNQIAIAAGMIGVAEAMAYAQKSGLEPENVLKSITTGAAGSWSLSNLAP-RMLQGNFEPGFYVKHFIKDMGIALEEAELMGEEMPG--LSLAKSLYDKLAAQGEENSGTQSIYKLWVK 1WP4 Chain:D ((4-261)) ----VAFIGLGAMGYPMAGH-LARRFPTLVWNRTFEKA---LRHQEEFGSEAVPLERVAEARVIFTCLPT-TREVYEVAEALYPYLREGTYWVDATSGEPEASRRLAERLREKGVTYLDAPVSGGTSGAEAGTLTVMLGGPEEAVERVRP-FLAYAKKVVHVGPVGAGHAVKAINNALLAVNLWAAGEGLLALVKQGVSAEKALEVINASSGRSNATENLIPQRVLTRAFPKTFALGLLVKDLGIAM--GVLDGEKAPSPLLRLAREVYE---------------------

General information: TITO was launched using: RESULT: Template: 1WP4.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1290 -153042 -118.64 -600.16 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain D : 0.77 3D Compatibility (PKB) : -118.64 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.430

(partial model without unconserved sides chains): PDB file : Tito_1WP4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1WP4-query.scw PDB file : Tito_Scwrl_1WP4.pdb: