Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKKKTWKRFLHFSSAALAAGLIFTSAAPAEAAFWGASNELLHDPTMIKEGSSWYALGTGLTEERGLRVLKSSDAKNWTVQKSIFTTPLSWWSN-YVPNYGQNQWAPDIQYYNGKYWLYYSVSSFGSNTSAIGLASSTS-----ISSGGWKDEGLVIRSTSSNNYNAIDPELTFDKDGNPWLAFGSFWSGIKLTKLDKSTMKPTGSL--YSIAARPNNGGALEAPTLTYQNGYYYLMVSFDKCCDGVNSTYKIAYGRSKSITGPYLDKSGKSMLEGGGTILDSGNDQWKGPGGQDIVN---GNILVRHAYDANDNGIPKLLINDLNWSS-GWPSY 3CU9 Chain:A ((12-312)) -----------------------------YEMDWSLKGDLWAHDPVIAKEGSRWYVFHTGS----GIQIKTSEDGVHWENMGWVFPSLPDWYKQYVPEKDEDHLWAPDICFYNGIYYLYYSVSTFGKNTSVIGLATNQTLDPRDPD-YEWKDMGPVIHSTASDNYNAIDPNVVFDQEGQPWLSFGSFWSGIQLIQLDTETMKPAAQAELLTIASRGEEPNAIEAPFIVCRNGYYYLFVSFDFCCRGIESTYKIAVGRSKDITGPYVDKNGVSMMQGGGTILDEGNDRWIGPGHCAVYFSGVSAILVNHAYDALKNGEPTLQIRPLYWDDEGWPYL

General information: TITO was launched using: RESULT: Template: 3CU9.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 : 1735 14317 8.25 49.54 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : 8.25 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.625

(partial model without unconserved sides chains): PDB file : Tito_3CU9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CU9-query.scw PDB file : Tito_Scwrl_3CU9.pdb: