Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKEKAIVVFSGGQDSTTCLLWALKEFEEVETVTFHYNQRH-SQEVEVAKS-------IAEKLGVKNHLLDMSLLNQLAPNALTRNDIEIEVKDGELPSTFVPGRNLVFLSFASILAYQIGARHIITGVCETDFSGYPDCRDEFVKSCNVTVNLAMEKPFVIHTPLMWLNKAETWKLADELGALDFVKNNTLTCYNGIIADGCGECPACHLRSKGYEEYMVMKGERA 4KR6 Chain:A ((174-333)) --GGKAVLLLSGGIDSPVAGWYALKRGVLIESVTFVSPPFTSEGAVEKVRDILRVLREFSGGHPLRLHIVNLTKL--Q-LE-VKKRV------P--DKYSLIMYRRSMF-RIAEKIAEETGAVAFYTGENIGQVASQ--TLEN-LWSI------ESVTTRPVIRPLSGFDKTEIVEKAKEIGTY-------------------------------------------

General information: TITO was launched using: RESULT: Template: 4KR6.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 : 706 -79297 -112.32 -521.69 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -112.32 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.432

(partial model without unconserved sides chains): PDB file : Tito_4KR6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KR6-query.scw PDB file : Tito_Scwrl_4KR6.pdb: