Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKKSFSIVIAGGGSTFTPGIVLMLLDHLEEFPIRKLKLYDNDKERQDRIAGACDVFIREKAPDIEFAATTDPEEAFTDVDFVMAHIRVGKYAMRALDEQIPLKYGVVGQETCGPGGIAYGMRSIGGVLEILDYMEKYSPDAWMLNYSNPAAIVAEATRRLRPNSKILNICDMPVGIEDRMAQILGLSSRKE-MKVRYYGLNHFGWWTSIQDQEGNDLMPKLKEHVS-QYGYIPKTEAEAVEASWNDTFAKARDVQAADPDTLPNTYLQYYLFPDDMVKKSNPNHTRANEVME-GREAFIFSQCDMITREQSSENSEIKIDDHASYIVDLARAIAYNTGERMLLIVENNGAIANFDPTAMVEVPCIVGSNGPEPITVGTIPQFQKGLMEQQVSVEKLTVEAWAEKSFQKLWQALILSKTVPNARVARLILEDLVEANKDFWPELDQSPTRIS 1UP4 Chain:A ((3-411)) -------IAVIGGGSSYTPELVKGLLDISEDVRIDEVIFYDIDEEKQKIVVDFVKRLVKDR---FKVLISDTFEGAVVDAKYVIFQFRPGGLKGRENDEGIPLKYGLIGQETTGVGGFSAALRAFPIVEEYVDTVRKTS-NATIVNFTNPSGHITEFVRNYLEYEKFIGLCNVPINFIREIAEMF--SARLEDVFLKYYGLNHLSFIEKVF-VKGEDVTEKVFENLKLK-----DEDF----PTW--FYDSVR--------LIVNPYLRYYLMEKKMFKKISTHELRAREVMKIEKELFEKYRTAVEIPEELTKRGGSMYSTAAAHLI---RDLETDEGKIHIVNTRNNGSIENLPDDYVLEIPCYVRSGRVHTLSQGKGDHFALSFIHAVKMYERLTIEAYLKRSKKLALKALLSHPLGPDVEDAKDLLEEILEANREY------------

General information: TITO was launched using: RESULT: Template: 1UP4.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 : 2237 -246203 -110.06 -613.97 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -110.06 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.487

(partial model without unconserved sides chains): PDB file : Tito_1UP4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1UP4-query.scw PDB file : Tito_Scwrl_1UP4.pdb: