Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKKSFSIVIAGGGSTFTPGIVLMLLDHLEEFPIRKLKLYDNDKERQDRIA-GACDVFIREKAPDIEFAATTDPEEAFTDVDFVMAHIRVGKYAMRALDEQIPLKYGVVGQETCGPGGIAYGMRSIGGVLEILDYMEKYSPDAWMLNYSNPAAIVAEATRRLR--PNSKILNIC-DM-PVGIEDRMAQILGLSSRKEMKVRYYGLN---HFGWWTSIQDQEGNDLMPKLKEHVSQYGYIPKTEAEAVEASWNDTFAKARDVQAADPDTLPNTYLQYYLFPDDMVKKSNPNHTRANEVMEGREAFIFSQCDMITREQSSENSEIKIDDHASYIVDLARAIAYNTGERMLLIVENNGAIANFDPTAMVEVPCIVGSNGPEPITVGTIPQFQKGLMEQQVSVEKLTVEAWAEKSFQKLWQALILSKTVPNARVARLILEDLVEANKDFWPELDQSPTRIS 4PLZ Chain:A ((4-304)) ----KAKIVLVGSGMI-GGVMATLIVQK--N--LGDVVLFDIVKNMPHGKALDTSHTNVM-AYSNCKVS-GSNTYDDLAGADVVIVTAGF---------------------------RDDLLPLNNKIMIEIGGHIKKNCPNAFIIVVTNPVDVMVQLLHQHSGVPKNKIIGLGGVLDTSRLKYYISQKLNVC-PRDVNAHIVGAHGNKMVLLKRYITV-GGIPLQEFINNKLIS----------------------------------D-AELEAIF--DR-T------VNTALEIVNL------------------H-AS-PYVAPAAAIIEMAESYLKDLKKVLICSTLLEGQY-G-HSDIFGGTPVVLGANGVEQVIELQLNSEEKAKFDE--------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4PLZ.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 : 1506 -221659 -147.18 -788.82 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -147.18 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.471

(partial model without unconserved sides chains): PDB file : Tito_4PLZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PLZ-query.scw PDB file : Tito_Scwrl_4PLZ.pdb: