Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKSGKWFSLAAALSVTAIVGAGCSMSNGDAQKDTKTTAETKQTEQKTADSKKSNTQNSEFSLESQYFNDIKKVDGLETIQNPENILALVNKQYALPGNYEPSDLVIPDVEFSFEEKIQKRYIRKEAADALKTMFDAAKKEGYELAAVSGYRSYDRQKVIFDNEVSLKGERKAKEAVAYPGESEHQTGLAMDISSRSNGFE--LNEAFGSTADGKWVQDNAYKYGFIIRYPKNKEDITKYEYEPWHLRYVGKKAAKVIQDNDLTLEEYFEKVKKI 4MUT Chain:B ((23-201)) ------------------------------------------------------------------------------------NTLQLINKNHPLKKNQEPPHLVL--APFSDHDV----YLQPEVAKQWERLVRATGLEK-DIRLVSGYRTEKEQRRLWEYSLKENGLAYTKQFVALPGCSEHQIGLAIDVGLKKQEDDDLICPHFRDSAAADLFMQQMMNYGFILRYPEDKQEITGISYEPWHFRYVGLPHSQVITAQKWTLEEYHD-----

General information: TITO was launched using: RESULT: Template: 4MUT.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 866 -19412 -22.42 -109.67 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain B : 0.74 3D Compatibility (PKB) : -22.42 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.462

(partial model without unconserved sides chains): PDB file : Tito_4MUT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4MUT-query.scw PDB file : Tito_Scwrl_4MUT.pdb: