Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MARLEQLGYHARAARRGSEIDAEAATAIVRRHLGHLGDGLTVIRQRKLYGGSINRVIEWTVRDATGRDRPLVAKVNNLRS---AKLFRREMASLEVYRTQTDLPVPRPLAYLEDEPEFDGSGLLMQRIDGVNLSEAKVTPAGMRLLQRDLAGHVVALHSHHRSAYGTAL--------EPTGP-RRWLDSFGPV--IG-EEFFRVRDAIPSATREVIDDIVKNLEVWLPEQSTPTLVHGDLWSNNILVDDRHPDRPEILAFIDVSASYCDPEYELAYLRMFQ-TADDSFFERYRRRHPLRSGFSRRCRVYWLNTMMMHVRVFGDRYLPQLEDIVRQIRTLG 3F7W Chain:A ((3-287)) ----------------------NSVAARVTELTGR-----EVAAVAERGHSHRWHLYRVELAD----GTPLFVKALPDDAPALDGLFRAEALGLDWLGRSFGSPVPQVAGWD-------DRTLAMEWVDERPPTP---------EAAERFGHQLAAMHLAGAESFGATWDGYIGPLPMDNTPRSTWPEFYAEQRILPYLRRAADRGALTPGDVRLVEKVLDALDHLAGDPEPPARIHGDLWNGNVLWQDD-----G-AVVIDPAAHGGHREADLAMLALFGLPYLDRVRDAYNEVAPLAEGWRARIPLHQLHPLLVHVCLFGAAYRTTLVDTARAALR--

General information: TITO was launched using: RESULT: Template: 3F7W.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 : 1431 -40556 -28.34 -150.77 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -28.34 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.362

(partial model without unconserved sides chains): PDB file : Tito_3F7W.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3f7w-query.scw PDB file : Tito_Scwrl_3F7W.pdb: