Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKIALFYMGGTFGCIGEPLAPMPYD-------QFLPQLEKVIPPHLTVDCFAAPNIVDSSACTAPDWLRLIQRIQQLQLEGYQHFVVIHGTDTLSYAAATLARFLGQ-SCHIVITGSQYPLLNIQGDNTREFTDAIENLYLALEQVIALLVGAYLAFHHQVFHAQTALKTHTTELDAFSGLSSNVEFTPQQNELIVQDAQIEK----AASFQLLNWMMQPIATQHL----------VQQLRHLLPAPPHFLVLQGFGTGNIAVNDEFLATLDELYTRGCVPILATQVTFGGIDQRYAISTWAKTAKIVINDAHSHADLYAKALQIYLKYPTPEQWLNHWNENLH 2P2D Chain:A ((24-331)) -KSIYVAYTGGTIGMQRSEQGYIPVSGHLQRQLALMPEFHRPEMPDFTIHEYTP--LMDSSDMTPEDWQHIAEDIKA-HYDDYDGFVILHGTDTMAYTASALSFMLENLGKPVIVTGSQIPLAELRSDGQINLLNA---LYVAANYPINEVT---LFFNNRLYRGNRTTKAHADGFDAFA--------SPNLPPLLEAGIHIRRLNTPPAPHGEGELIVHPITPQPIGVVTIYPGISADVVRNFLRQPVKALILRSYGVGNAPQNKAFLQELQEASDRGIVVVNLTQCMSGKVNM-----NALAHAGVI-----GGADMTVEATLTKLHY---------------

General information: TITO was launched using: RESULT: Template: 2P2D.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 : 1426 -54521 -38.23 -194.72 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -38.23 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.334

(partial model without unconserved sides chains): PDB file : Tito_2P2D.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2P2D-query.scw PDB file : Tito_Scwrl_2P2D.pdb: