Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHSIPSPSSCPARVDVPDALAALARFITLRLGCERVQIDACQRLSGGAIQENWLIRARVLNGGLQADRRWVLRTDSPSS----VAASMERSQEFAVLRAVHQ-AGVKVPEPLWLCQDATVLGRDFFLMQALGG--------SANGHRLSTDPELEPMRKGLCHELGASLARLHGITPDHPELGFLPTPAPDPVQASIDQYRHYLDALP---GSHPVIEWGLRWCELNRPQPRPSR---LIHRDYRTGNYMVEAGHLAGVLDWEFAGWGDPRE-DLGWFTARCWRFA-RPDREAGGVGAL---------EDFLGGYQEESGYRPDRDELRYWQLMAHLRWAVVALQQVQRHLSGQQQSLELALTGRMVPELEQEILKLSGAPT 3ATS Chain:A ((30-328)) --------------------------------------------STGMSSETIILTARWQQDGRSIQQKLVARV-APAAEDVPVFPTYRLDHQFEVIRLVGELTDVPVPRVRWIETTGDVLGTPFFLMDYVEGVVPPDVMPYTFGDNWFADAPAERQRQ-LQDATVAALATLHSIPNAQNTFSFLT---DTTLHRHFNWVRSWYDFAVEGIGRSPLLERTFEWLQSHWPDDAAAREPVLLWGDARVGNVLYRDFQPVAVLDWEMVALG-PRELDVAWMI-----FAHRVFQELAGLATLPGLPEVMREDDVRATYQALTGV--ELGDLHWFYVYSGVMWACVFMRTGARRV-------------------------------

General information: TITO was launched using: RESULT: Template: 3ATS.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 : 1119 -28426 -25.40 -107.67 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -25.40 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.298

(partial model without unconserved sides chains): PDB file : Tito_3ATS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ats-query.scw PDB file : Tito_Scwrl_3ATS.pdb: