Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIKKWLGLAALATVAGLALAACGNSEKKADNATTIKIATVNRSGSEEKRWDKIQELVKKDGITLEFTEFTDYSQPNKATADGEVDLNAFQHYNFLNNWNKENGKDLVAIGDTYISPIRLYSGLNGSANKYTKVEDIPANGEIAVPNDATNESRALYLLQSAGLIKL-DVSGTALATVANIKENPKNLKITELDASQTARSLSSVDAAVVNNTFVTEAKLDYKKALFKEQADENSKQWYNIIVAKKDWETSPKADAIKKVIAAYHTDDVKKVIEESSDGLDQPVW 3GXA Chain:A ((40-258)) ---------------------------------------------------EQIQPELEKKGYTVKLVEFTDYVRPNLALAEGELDINVFQHKPYLDDFKKEHNLDITEVFQVPTAPLGLYPG------KLKSLEEVKDGSTVSAPNDPSNFARVLVMLDELGWIKLKDGINPLTASKADIAENLKNIKIVELEAAQLPRSRADVDFAVVNGNYAISSGMKLTEALFQEPSFAYV-NWSAVKTADKD------SQWLKDVTEAYNSDAFKAYAHKRFEGYKSP--

General information: TITO was launched using: RESULT: Template: 3GXA.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 : 1043 -10631 -10.19 -48.77 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -10.19 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.476

(partial model without unconserved sides chains): PDB file : Tito_3GXA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GXA-query.scw PDB file : Tito_Scwrl_3GXA.pdb: