Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFEKIRSDMNPHQAYRIKKLQCQLDMAESYEEWKSFALKLDEETGAQ---------EWKFDNSSPYFD-AELISYRYTLLKRYRQ----------QHRTLDLIYLLKEGLTYDIANIGHPMLFAATHVGTKKLIEDYIEEVSQSLAYIASSECITFQRKEKIEFFENCEKAYGQPALMFSGGATLGLFHTGVCKALIEQDLMPKVLSGSSAGAIMTGMLGISASEDIQNLLNGEQFFSDAFHFRKLRELIKGNGGIADVHYLK-KFLIENLGDLTFEEAFKKSGLNINVAVAPYDATENPRIMNAIMTPNVLVWSAVLASCAVPVLFPPVRLTSKRYDGEHTPYMANTKWVDGSVRSDFPQERMARLYNLNYTIASQV---NPHVVPFMQDDARRFRKDVLSWPERILRRQGKVLSMGLMDFTRQRLGAISPVRRLLDHGYGVVGQRYYGDVNIIAKYSLKHYAYTLQNPRPHLFKRLQREGERATWPKISSI--ETHARIGKT-IQHCLEVLRFEEKKQQPESYYAEA- 4XA2 Chain:A ((1-490)) --MKIEEG----------KLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDGPDIIFWAHDRFGGYAQSGLLAEITPAAAFQDKLYPFTWDAVRYNGKLIAYPIAVEALSLIYNK---DLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYAAG-------KYDIKDVGVDNAGAKAGLTFLVDLIKNKHMNADTD-YSIAEAAFNKGETAMTINGPWAWSNIDTSAVNYGVTVL--PTFKG--QPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVALKSYEEELAKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAASGRQTVDAALAAAQTNAAA---AYQNYIAKSQ---VSTGLADITAGKTNAETKLAEGLTAALTDVEALGLQK----STNACSTITTSIGTNGASNITCTLKGTSQINSKKIEWIRDADNATNGTTGAWRCKTDV---AENLRPKSCGASGS

General information: TITO was launched using: RESULT: Template: 4XA2.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 : 2589 76531 29.56 165.65 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 29.56 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.130

(partial model without unconserved sides chains): PDB file : Tito_4XA2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XA2-query.scw PDB file : Tito_Scwrl_4XA2.pdb: