Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----MNKALKALGVLTTFVMLIVLIGGALVTKTG---SGQGCGRQWPLCHGRF-FPELNPASIIE---WSHRFASGISIILVLSLAF---WSWRKITPIFRETTFLAIMSII-FLFLQALLGALAVVF--GSNALIMALHFGISLISFASVLILTLLIFEADKSVRTLVKPLQIGKKMQFHMIGILIYSYIVVYTGAYVRHTESSLACPNVPLCSPLNNGLPTQFHEWVQMGHRAAA-LLLFVWIIVAAVHAITSYKDQKQIFWGWISCLIFITLQALSGIMIVYSELALGFALAHSFFIACLFGVLCYFLLLIARFRYESRQS 5A3A Chain:A ((13-302)) NWTTNLTQAEQLAQLIKEADALVVGIGAGMSAADGFTYIGPRFETAFPDFIAKYQFLDMLQASLFDFEDWQEYWAFQSRFVALNYLDQPVGQSYLDLKEILETKDYHIITTNADNAFWVAGYDPHNIFHIQGEYGLWQCSQHCHQQTYKDDTVIRQMIAEQKNMKVPGQLIPHCPECEAPFEI---------------NKRNEEKGMV---------EDADFHAQKARYEAFLSEHKEGKVLYLEIGVGH----TTPQFIKHPFWKRVSE----------NPNALFVTLNHKHYRIPLSIRRQSLELTEHIAQLISATKTIYQK-

General information: TITO was launched using: RESULT: Template: 5A3A.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 : 1284 -218574 -170.23 -818.63 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -170.23 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.217

(partial model without unconserved sides chains): PDB file : Tito_5A3A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5A3A-query.scw PDB file : Tito_Scwrl_5A3A.pdb: