Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKEKYDRSKPHVNIGTIGHVDHGKTTLTAAITTVLARRLPSSVNQPKDYASIDAAPEERERGITINTAHVEYETEK-----------------------RHYAHIDAPGHADYVKNMITGAAQMDGAILVVASTD-GPMPQTREHILLSRQVGVKHLIVFMNKVDLVDDEELLELVEMEIRDLLSEYDFPGDDLPVIQGSALKALEGDSKYEDIVMELMNTVDEYIPEPERDTDKPLLLPVEDVFSITGRGT------VASGRIDRGIVKVNDEIEIVG---------IKEETQKAVVTGVEMFRKQLDEGLAGDNVGV---LLRGVQRDEIERGQVIAKPGSINP-HTKFKGEVYILTKEEGGRHTPFFNNYRPQFYFRTTDVTGSIELPAGTEMVMPGDNVTIDVELIHPIAVEQGTTFSIREGGRTVGSGMVTEIEA 1KK3 Chain:A ((6-336)) -------SRQAEVNIGMVGHVDHGKTTLTKALTGVWT----------------D--SEELRRGITIKIGFADAEIRRCPNCGRYSTSPVCPYCGHETEFVRRVSFIDAPGHEALMTTMLAGASLMDGAILVIAANEPCPRPQTREHLMALQIIGQKNIIIAQNKIELVDKEKALENYR-QIKEFIE--GTVAENAPIIPISALHGANIDV--------LVKAIEDFIPTPKRDPNKPPKMLVLRSFDVNKPG-EKLVGGVLGGSIVQGKLKVGDEIEIRPGVPYEEHGRIKYEPITTEIVSLQAGGQFVEEAYPGGLVGVGTKLDPYLTKGDLMAGNVVGKPGKLPPVWDSLRLEVHLLER--------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1KK3.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 : 1411 46546 32.99 165.64 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : 32.99 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.451

(partial model without unconserved sides chains): PDB file : Tito_1KK3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1KK3-query.scw PDB file : Tito_Scwrl_1KK3.pdb: