Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDGSASSSSPPSLSQPINDTTPRRLLTLCSVGVARPFQRKRWSPSLLRLS-----------PWTCVKLGTF----------RDLCEARTIQFIASNTSIPVPKVYCSFQRRDKRDGTTTTYIVMQRIRGQTLASAWP---------TLSASSRNKILLQLRHFVQVMRNLPWPKREYKISNVDGGSLWDCRLVSGVDRFGPFKDTLAFHLFLRNGLEKAPPELPEVDEMIKLQAR---DWGPVVFTHGDLSSLNILVRGDRIVGIVDWETAGWFPPYWEYSTACQVNPRNTFWAE-----------WIDHFLEPWPDALEMERVRQRWWGVI 3ATS Chain:A ((31-302)) ----------------------------------------TGMSSETIILTARWQQDGRSIQQKLVARVAPAAEDVPVFPTYRLDHQFEVIRLVGELTDVPVPRVRWIETTG---DVLGTPFFLMDYVEGVVPPDVMPYTFGDNWFADAPAERQRQLQDATVAALATLHSIPNAQ--NTFSFLT-----DTTLHR------HFNWVRSWYDFAVEGIG-RSPLLERTFEWLQSHWPDDAAAREPVLLWGDARVGNVLYRDFQPVAVLDWEMVALGPRELDVAWMIFAHRVFQELAGLATLPGLPEVMREDDVRATYQALTGVEL---------

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 : 870 12337 14.18 55.32 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : 14.18 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.61 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: