Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSEYPEGDSPLLQLQEVDSGRVGGHILSPIFNSSSPSLPVENHPICIPSPYTDLGHDFSTLPFYSPALLGYSTSPLSDCSSVRQSLSPTLFWPPHSHVSSLTLQQQSRLQQNHATSGTWTEHTPHDHVEEENSKPLVKRVADTEETSVSLRGKADMHYCAVCSDYASGYHYGVWSCEGCKAFFKRSIQGHNDYICPATNQCTIDKNRRKSCQACRLRKCYEVGMMKCGLRRDRSSYQQRGAQQKRLVRFSGRMRMTGPRSQEIKSIPRPLSGNEVVRISLSPEELISRIMEAEPPEIYLMKDMKKPFTEANVMMSLTNLADKELVHMISWAKKIPGFVELSLFDQVHLLECCWLEVLMLGLMWRSVNHPGK----LIFSPDLCLSRDESSCVQGLVEIFDMLLAATSRF-RELKLQREEYVCLKAMILLNSNMCLGSSEGGEDLQSRSKLLCLLDSVTDALVWAISKTGLSFQQRSTRLAHLLMLLSHIRHVSNKGMDHLHCMKMKKMVPLYDLLLEMLDAHIMHSSRLSHSGPRAPAAHKDNKSVQEAFPCSSQHGP 3ERT Chain:A ((13-258)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LALSLTADQMVSALLDAEPP---------------------ILYSEYDP-------TRPFS------------EASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSME--HPGKLLFA--PNLLLDRNQGKCVEGMVEIFDMLLATSSRFR-MMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKC----KNVV---PLYDLLLEMLD--------AHRLHA-----------------

General information: TITO was launched using: RESULT: Template: 3ERT.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 : 975 -91665 -94.01 -380.35 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -94.01 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.237

(partial model without unconserved sides chains): PDB file : Tito_3ERT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ert-query.scw PDB file : Tito_Scwrl_3ERT.pdb: