Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------MKKRKNKKNSK-AAEKALKVTINGKEETVYEQETPETEANK-SMTFSNWEEKRQAEQEVAASQEHPDEDEFNWDSEEDKVFKEDPK-----VVPPFQKKKTKLYAKG--KTGAAKPVKRVAATIAFAAVIGTGLGLFALNISG-NKEASAPASLEDSLGSQTAKAG-DTSAD-KQT--------SGAEKQAAQ-TEGTYKTYAVQAGKFSNEKGA-ETLTEQLTEKGYSAVSLSKDDG---YTYVIAGLASEKEVSQQLGQVLIDSDFEAWGGKELSLSIESDM-----TDSFKETAELAAKA-ILDEDITKASVEKI-----EKSLGETKASETGE-KKAILQALKELEDPSAEAGWKAQQELL------AVVK 4PEV Chain:A ((52-421)) PISVLVLFDVGGRGDLSFNDMAALGADRAAEELGVDVVFQ--TPQSLA-VMESVLDAASRSGEYDLIVLVG--------FLWQEPLEKVAPRYPEQKYALIDAATRERYDNVASYLFREQEVASLVGIIAADIANNISKATGEEAKAGAVAGMDIPPLWRFHIGYLYGVQYYNQAMGTDVEMVWTYTGRFDDPTLGKTTAEQMLQQGVRVFYGVAGLTHV---GMFNAVKEAAARGVIAFSIGQDASQEWYDPQTIIISGLKRVDVAVYTAIKDVVEGRFRGGIVSLGLKEGGLGLSDEEIIRYFAEIAAETGQLPEGLTPEKVVEIVMSQREKWISNDGWRLVEELKQKIISGEIKFVTPQDHDTYDSIIEELKAGNLEAALE

General information: TITO was launched using: RESULT: Template: 4PEV.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 : 1930 145408 75.34 457.26 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 75.34 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.181

(partial model without unconserved sides chains): PDB file : Tito_4PEV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PEV-query.scw PDB file : Tito_Scwrl_4PEV.pdb: