Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVKQRTLNRVVKASGIGLHSGQKVMINFIPHTVDGGIVFRRIDLDPPVDIPANALLIQEAFMCSNLVT-GDIKVGTIEHVMSAIASLGIDNLIVEVSASEVPIMDGSAGPFIYLLMQGGLREQDAPKKFIKILKPVEALIDDKKAIFSPHNGFQLNFTIDFDHPAFAKEYQSATIDFSTETFVYEVSEARTFGFMKDLDYLKANNLALGASLDNAIGVDDTGVVNEEGLRFADEFVRHKILDAVGDLYLLGHQIIAKFDGYKSGHALNNQLLRNVQSDPSNYEIVTFDDEKDCPIPYVSVT 4ISA Chain:A ((1-297)) MIKQRTLKRIVQATGVGLHTGKKVTLTLRPAPANTGVIYRRTDLNPPVDFPADAKSVRDTMLCTCLVNEHDVRISTVEHLNAALAGLGIDNIVIEVNAPEIPIMDGSAAPFVYLLLDAGIDELNCAKKFVRIKETVRVEDGDKWAEFKPYNGFSLDFTIDFNHPAIDSSNQRYAMNFSADAFMRQISRARTFGFMRDIEYLQSRGLCLGGSFDCAIVVDDYRVLNEDGLRFEDEFVRHKMLDAIGDLFMCGHNIIGAFTAYKSGHALNNKLLQAVLAKQEAWEYVTFQDDAELPLAF----

General information: TITO was launched using: RESULT: Template: 4ISA.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 : 1694 -54461 -32.15 -183.99 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.89 3D Compatibility (PKB) : -32.15 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.89 QMean score : 0.514

(partial model without unconserved sides chains): PDB file : Tito_4ISA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ISA-query.scw PDB file : Tito_Scwrl_4ISA.pdb: