Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLVEKLRRKIMQSKTLFLLGLCTIFSTTVSALPLDSKGAKQRLSQAAKQKVFQGKIDLDALVSNDSNDLIVEYNIPSSSVSSGLERRSYIATNKKNLQTRFSRAGGVQVLRDYNNLPLAFYRISNREALIALLNDPNVKAVYPNRINRTTTTESLPLINQPQANTNGFTGEGSSVAVLDTGVNYLHSDFGCTAVNTPSSTCRVVYSFDSA--PDDGTLDDDGHGSNVSAIVS---------KVATKTKIIGIDVFRKVRSQGKWVSTAYDSDILAGINWAVNNAQTYNIKAVNLSLGVPGVKYTSECSDSSYGTAFANARAAGVVPVVASGNDAFP---DGISSPACVAGAVRVGAVYDSNIGGVSWGNPVKCSDPTTAADKVACFSNGGSLVTLLAPGAMITA-----GGYTMGGTSQATPHVAGAIALLRANSVSPTESIDQTISRLKATGKPITDSRTGLVFPRIDLLAATNGLTVN 1TO1 Chain:E ((4-275)) ------------------------------------------------------------------------------------------------------------------------------------------------------VPYGVSQIKAPALHSQGYTGSNVKVAVIDSGIDSSHPDLKVAG------------GASMVPSETNPFQDNNSHGTHVAGTVAALNNSIGVLGVAPSASLYAVKVLGAD-------GSGQYSWIINGIEWAIAN----NMDVINMSLGGPSG-------SAALKAAVDKAVASGVVVVAAAGNEGTSGSSSTVGYPGKYPSVIAVGAVDS--------------------SNQRASFSSVGPELDVMAPGVSIQSTLPGNKYGAYNGTSMASPHVAGAAALILSKH--PNWTNTQVRSSLENTTTKLGD-SFYYGKGLINVQAAAQ-----

General information: TITO was launched using: RESULT: Template: 1TO1.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 1731 3022 1.75 11.94 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain E : 0.65 3D Compatibility (PKB) : 1.75 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.472

(partial model without unconserved sides chains): PDB file : Tito_1TO1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1TO1-query.scw PDB file : Tito_Scwrl_1TO1.pdb: