Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKKVGVGQAHSKIILIGEHAVVYGYPAISLPL-LEVEVTCK---------VVPAESPWRLYEEDTLS----------------------------MAVYASLEYLNITEACIRCEIDSAIPEKRGMGSSAAISIAAIRAVFDYYQA---------------DLPHDVLEILVNRAEMIAHMNPSGLDAKTCLSDQPIRFIKNVGFTELEMDLSAYLVIADTGVYGHTREAIQVVQNKGK----DALPFLHALGELTQQAEIAISQ-------KDAEGLGQILSQAHLHLKEIGVSSLEADSLVETALSHGALGAKMSGGGLGGCIIALVTN---LTHAQELAERLEEKGAVQTWIESL---------------------- 1KVK Chain:A ((1-394)) MLSEVLLVSAPGKVILHGEHAVVHGKVALAVALNLRTFLVLRPQSNGKVSLNLPNVGIKQVWDVATLQLLDTEKLKKVAGLPRDCVGNEGLSLLAFLYLYLAICRKQRTLPSLDIMVWSELPPGAGLGSSAAYSVCVAAALLTACEEVTNPLKDRGSIGSWPEEDLKSINKWAYEGERVIHGNPSGVDNSVSTWGGALRYQQG-KMSSLKRLPALQILLTNTKVPRSTKALVAGVRSRLIKFPEIMAPLLTSIDAISLECERVLGEMAAAPVPEQYLVLEELMDMNQHHLNALGVGHASLDQLCQVTAAHG-LHSKLTGAGGGGCGITLLKPGLERAKVEAAKQALTGCGF-DCWETSIGAPGVSMHSATSIEDPVRQALG

General information: TITO was launched using: RESULT: Template: 1KVK.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 : 1311 -62765 -47.88 -217.18 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -47.88 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.457

(partial model without unconserved sides chains): PDB file : Tito_1KVK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1KVK-query.scw PDB file : Tito_Scwrl_1KVK.pdb: