Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVLKSDGYSSDHIRLNRFVFWSSAVSIGIFGLLFVLFPEKSQFWLTYVQEQVNHFFGWYYMLVIVLCLGFVAWLAFSRVGQIPLGKDHDKPEFGYLAWTSMLFSAGIGIALLYYGVAEPVDHFLRPPEGEAGTIQAARNAMTYSFLHWGIHGWVLYALLGVTLGYFAFRQDLPLALRSALYPIFGER-VHGLVGDFVDGFGILATVISLVTNLGIGALVLVLGI--CYLIPDNSA-TLITAVLIMMFVATVTTVVGIEKGLAWLSRINLRLLYALLLFVFLTGPTNHLLNGLVQNTGDYLNNFMGKSFDMYLYNQKASG-WLGSWTVFYWAWWIAWAPFVGMFIARISKGRTIREVVLGVCLIPLGFTLAWISIFGNTAIHLILNQKQKVLGDMVLSDPALSLFKLLEYLPFNPYIAGIVVVICFVLFLTPVGSGTLMIANLSSKGGTSDSDSPIWLRIFWSVVITIVSIGLLLAGSFNS---MQSAVVLCGLPFSVIILLYMFGLAKALKQDDFDPNVAKKQLAISKDISIPSNCDQNKVTEVL 4AIN Chain:B ((60-507)) --------------------------------------------------------GWAFILFGTVFVFFIVVIAASKFGTIRLGR-----EFRTVSWISMMFAAGMGIGLMFYGTTEPLTFYRNGVPGH--DEHNVGVAMSTTMFHWTLHPWAIYAIVGLAIAYSTFRVGRKQLLSSAFVPLIGEKGAEGWLGKLIDILAIIATVFGTACSLGLGALQIGAGLSAANIIEDPSDWTIVGIVSVLTLAFIFSAISGVGKGIQYLSNANMVLAALLAIFVFVVGPTVSILNLLPGSIGNYLSNFFQMAGRTAMSADGTAGEWLGSWTIFYWAWWISWSPFVGMFLARISRGRSIREFILGVLLVPAGVSTVWFSIFGGTAIVFEQN-GESIWGDGAAEE---QLFGLLHALPGGQIMGIIAMILLGTFFITSADSASTVMGTMSQHG---QLEANKWVTAAWGVATAAIGLTLLLSGGDNALSNLQNVTIVAATPFLFVVIGLMFALVKDLSND--------------------------------

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 B - contact count / total energy / energy per contact / energy per residue : 2574 -384537 -149.39 -883.99 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.76 3D Compatibility (PKB) : -149.39 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.470

(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: