Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDIISRKYINEGFNSKAYIINDDYILLDGVNQNSYKNYQKYVNVINQISNV-KSLEIPRIIELIEPCEEYPNGALIYKMIKGHTFRKEH-IEIV--NLDNIAKKLAEFMDELYEIRVDFDKDEYI----KNELEIT---EQSVIELK--EYLSESNYEKILSWFNEYKNYL--LTFNDYHFIHGDLWYENYILNDNNELVGIVDFEGSGMGDPAYDIAALYY-----LGTGFINKVLSYYKYT-DEDLIKRVSMLIKAREIADFDDMVK-NYPEEVEEQVDKIKKVL 4DCA Chain:A ((39-300)) --INELRYLSSGDDSDTFLCNEQYVVKVPKRDSVRISQKRELELYRFLENCKLSYQIPAVVYQS-------DRFNIMKYIKGERITYEQYHKLSEKEKDALAYDEATFLKELHSIEIDCSVSLFSDALVNKKDKFLQDKKLLISILEKEQLLTDEMLEHIETIYENILSNAVLFK-YTPCLVHNDFSANNMIFR-NNRLFGVIDFGDFNVGDPDNDFLCLLDCSTDDFGKEFGRKVLKYYQHKAPEVAERKAELNDVYWSIDQIIYGYERKDR--------------

General information: TITO was launched using: RESULT: Template: 4DCA.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 : 978 2732 2.79 11.38 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : 2.79 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.466

(partial model without unconserved sides chains): PDB file : Tito_4DCA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4dca-query.scw PDB file : Tito_Scwrl_4DCA.pdb: