Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPNMTSIREFILL-----GFTDNPELQVVIFFFMLITYLLSV----SGNMIIIMLTLSNIH---------------------------LKTP----------MYFFLRNFSFLEISFTTVF---------IPRFLINIATGDTTISY-----NASMAQVFFLILLGSTEFFLLAVMSYDRYVAICKPLHYTT----------IMSNKVCNWL--VISSWLAGFLIIFPP------VIMGL-----QLDFCDS---STIDHFICD---SSPMLLIACTDTQFLELMAFLLAVFTLMVTLAL-----VVLSYTLILKTILKIPSAQQRKKAFSTCSSHMIVVSVSYGSCIFMCVKTSAKEGMAL----SKGVAVLNTSVAPML---NP------FIYTLRNQQVKQALREFTKKILSLNKQ--- 4LYP Chain:A ((34-449)) -----SEFAFVKIASDGKGFTRYGEPYLIRGANYWQGMNLGADDCSGGDRKRMELEIKQMAEMGINNLRVMASSEGPDDQPYRMRPSMMPQPGKYNEGVFVGLDYLLDTMDRYNMTAVMTLGNFWQWSGGFGQYVAWIT-GNQTIPYPVGDVTYDEFTQFAARFYNDSEIAPKANKLFKDHIYTVQNRRNTVNGKIYKEDPVIMSWQIANEPQEAPASWFEEISTFIKKGAPKHLVSAGLESKLDEYDFDRAHDHKNIDYTTCHCWVENWGIYDPADPDGLPHANEYMHDFLESRSKWAAQLNKPIVMEEFGMARDAWRNPEDETYKYLPSTPTSHKDEYYQKAFNQIVSLASNRSFSGSNFWAYGGEGRSTYPPNPYGMVWLGDPPHEPHGWYSVYSNDTTVQIIKDYNANLLKVQKELSK

General information: TITO was launched using: RESULT: Template: 4LYP.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output 3D Compatibility (PKB) -312944 for 2239 contacts (-139.8/contact) + 2D Compatibility (PS) -31663 + (NN) -5459 + (LL) 300 1D Compatibility (HY) -800 + (ID) 2550 Total energy: -353116.0 ( -157.71 by residue) QMean score : 0.204

(partial model without unconserved sides chains): PDB file : Tito_4LYP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4LYP-query.scw PDB file : Tito_Scwrl_4LYP.pdb: