Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKKSFSIVIAGGGSTFTPGIVLMLLDHLEEFPIRKLKLYDNDKERQDRIAGACDVFIREKAPDIEFAATTDPEEAFTDVDFVMAHIRVGKYAMRALDEQIPLKYGVVGQETCGPGGIAYGMRSIGGVLEILDYMEKYSPDAWMLNYSNPAAIVAEATRRLRPNSKILNICDMPVGIEDRMAQILGLSSRKE-MKVRYYGLNHFGWWTSIQDQEGNDLMPKLKEHVS-QYGYIPKTEAEAVEASWNDTFAKARDVQAADPDTLPNTYLQYYLFPDDMVKKSNPNHTRANEVME-GREAFIFSQCDMITREQSSENSEIKIDDHASYIVDLARAIAYNTGERMLLIVENNGAIANFDPTAMVEVPCIVGSNGPEPITVGTIPQFQKGLMEQQVSVEKLTVEAWAEKSFQKLWQALILSKTVPNARVARLILEDLVEANKDFWPELDQSPTRIS 1UP7 Chain:A ((1-413)) ---RHMRIAVIGGGSSYTPELVKGLLDISEDVRIDEVIFYDIDEEKQKIVVDFVKRLVKDR---FKVLISDTFEGAVVDAKYVIFQFRPGGLKGRENDEGIPLKYGLIGQETTGVGGFSAALRAFPIVEEYVDTVRKTS-NATIVNFTNPSGHITEFVRNYLEYEKFIGLCNVPINFIREIAEMF--SARLEDVFLKYYGLNHLSFIEKVF-VKGEDVTEKVFENLKLK---IPDEDF----PTW--FYDSVR--------LIVNPYLRYYLMEKKMFKKISTHELRAREVMKIEKELFEKYRTAVEIPEELTKRGGSMYSTAAAHLI---RDLETDEGKIHIVNTRNNGSIENLPDDYVLEIPCYVRSGRVHTLSQGKGDHFALSFIHAVKMYERLTIEAYLKRSKKLALKALLSHPLGPDVEDAKDLLEEILEANREY------------

General information: TITO was launched using: RESULT: Template: 1UP7.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 : 2289 -243834 -106.52 -599.10 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -106.52 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.471

(partial model without unconserved sides chains): PDB file : Tito_1UP7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1UP7-query.scw PDB file : Tito_Scwrl_1UP7.pdb: