Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVLKSDGYSSDHIRLNRFVFWSSAVSIGIFGLLFVLFPEKSQFWLTYVQEQVNHFFGWYYMLVIVLCLGFVAWLAFSRVGQIPLGKDHDKPEFGYLAWTSMLFSAGIGIALLYYGVAEPVDHFLRPPEGEAGTIQAARNAMTYSFLHWGIHGWVLYALLGVTLGYFAFRQDLPLALRSALYPIFGERV-HGLVGDFVDGFGILATVISLVTNLGIGALVLVLGICYLIPD-N-SAT-LITAVLIMMFVATVTTVVGIEKGLAWLSRINLRLLYALLLFVFLTGPTNHLLNGLVQNTGDYLNNFMGKSFDMYLYNQ-KASGWLGSWTVFYWAWWIAWAPFVGMFIARISKGRTIREVVLGVCLIPLGFTLAWISIFGNTAIHLILNQKQKVLGDMVLSDPALSLFKLLEYLPFNPYIAGIVVVICFVLFLTPVGSGTLMIANLSSKGGTSDSDSPIWLRIFWSVVITIVSIGLLLAGSFNSMQSAVVLCGLPFSVIILLYMFGLAKALKQDDFDPNVAKKQLAISKDISIPSNCDQNKVTEVL 4AIN Chain:A ((9-514)) -----LEGEDTQASLNWSVIVPALVIVLATVVWGIGFKDSFTNFASSALSAVVDNLGWAFILFGTVFVFFIVVIAASKFGTIRLGRIDEAPEFRTVSWISMMFAAGMGIGLMFYGTTEPLTFYRNGVPG--HDEHNVGVAMSTTMFHWTLHPWAIYAIVGLAIAYSTFRVGRKQLLSSAFVPLIGEKGAEGWLGKLIDILAIIATVFGTACSLGLGALQIGAGLSAAN--EDPSDWTIVGIVSVLTLAFIFSAIS---KGIQYLSNANMVLAALLAIFVFVVGPTVSILNLLPGSIGNYLSNFFQMAGRTAMSADGTAGEWLGSWTIFYWAWWISWSPFVGMFLARISRGRSIREFILGVLLVPAGVSTVWFSIFGGTAIVFEQN-GESI-WG--DGAAEEQLFGLLHALPGGQIMGIIAMILLGTFFITSADSASTVMGTMSQHG---QLEANKWVTAAWGVATAAIGLTLLLS--LSNLQNVTIVAATPFLFVVIGLMFALVKDLSNDVIYLEYR-------------------------

General information: TITO was launched using: RESULT: Template: 4AIN.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 : 2899 -402160 -138.72 -819.06 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -138.72 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.431

(partial model without unconserved sides chains): PDB file : Tito_4AIN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AIN-query.scw PDB file : Tito_Scwrl_4AIN.pdb: