Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRIARIAVATYMGLAVNMGLAVNAVQAATTFLNVSYDPTREFYQEYNQAFGKFWKQRTGQDVDFKQSHGGSGKQARAVATGLEADVVTLALANDIDEIVKAGFIQPNWQKEFPNNSAPYTSTVVFLVRKGNPKNIRDWNDLTKPGVEIITPNPKTG--GAPRWIYLSAWGYALKQPGGNDAKAKELVKKLYHNVNVLDLGARGSLTTFAERGIGDVLLSWENEALLATKGLDKDKYEIVYPSIS-ILAEPSVAIVDKTVDKDGNRTLAKGYLNFLYSPLGQELAAKHYFRPRNPQVAAKYAAQFPKIKLFTINDVFGGWAKAQKTHFANGAIFDQIYDGKQ 3FJM Chain:B ((21-251)) ------------------------------DVNLYGPGGPHTALKDIANKYSEK----TGVKVNVNFG--PQATWFEKAK--KDADILFGASDQS-ALAIASDFGKD-FNV--SKIKPLYFREAIILTQKGNPLKIKGLKDLANKKVRIVVPEGAGKSNTSGT-GVW---EDM---IG--RTQDIKTIQNFRNNIVAFVPNSG-SARKLFAQDQADAWITWIDWSKS-----N-PDIGTAVAIEKDLVVYRTFNVIAKE----GASKETQDFIAYLSSKEAKEIFKKYGWREH-------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3FJM.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 : 1261 2642 2.10 11.59 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.65 3D Compatibility (PKB) : 2.10 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.423

(partial model without unconserved sides chains): PDB file : Tito_3FJM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3FJM-query.scw PDB file : Tito_Scwrl_3FJM.pdb: