Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKIALFYMGGTFGCIGEPLAPMPYD-------QFLPQLEKVIPPHLTVDCFAAPNIVDSSACTAPDWLRLIQRIQQLQLEGYQHFVVIHGTDTLSYAAATLARFLGQ-SCHIVITGSQYPLLNIQGDNTREFTDAIENLYLALEQVIALLVGAYLAFHHQVFHAQTALKTHTTELDAFSGLSSNVEFTPQQNELIVQDAQIEK----AASFQLLNWMMQPIATQHL----------VQQLRHLLPAPPHFLVLQGFGTGNIAVNDEFLATLDELYTRGCVPILATQVTFGGIDQ-RYAISTWAKTAKIVINDAHSHADLYAKALQIYLKYPTPEQWLNHWNENLH 2HIM Chain:A ((24-331)) -KSIYVAYTGGTIGMQR-----IPVSGHLQRQLALMPEFHRPEMPDFTIHEYTP--LMDSSDMTPEDWQHIAEDIKA-HYDDYDGFVILHGTDTMAYTASALSFMLENLGKPVIVTGSQIPLAELRSDGQINLLNA---LYVAANYPINEVT---LFFNNRLYRGNRTAKAHADGFDAFA--------SPNLPPLLEAGIHIRRLNTPPAPHGEGELIVHPITPQPIGVVTIYPGISADVVRNFLRQPVKALILRSYGVGNAPQNKAFLQELQEASDRGIVVVNLTQCMSGKVNMG-----NALAHAGVI-----GGADMTVEATLTKLHY---------------

General information: TITO was launched using: RESULT: Template: 2HIM.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 : 1428 -42300 -29.62 -153.82 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -29.62 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.396

(partial model without unconserved sides chains): PDB file : Tito_2HIM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2HIM-query.scw PDB file : Tito_Scwrl_2HIM.pdb: