Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLTKTVKSFGLAMGLLACSLPLYAKNNVVVVATGGTIAGAGASSANSATYTAAKVPVDALINAVPQIQDLANVSGIQALQVASESITDKELLQIARQVNELVKKPTVNGVVITHGTDTLEETAFFLNLVVHTDKPIVLVGSMRPSTALSADGPLNLYSAVALAASDDAKNKGVMVLMNDSIFAARDVTKGINIHTNAFVSQWGALGTLVEGKPYWFRQSVKRHTNASEFNIENIKGDALPTVQIVYGSDSMLPDAYEAYAKAGAKAIIHAGTGNGSVAKYIVPTLQNLHDQNGIQIIRSSRVPQ-GFVLRDAEQPDSKYGWVAAHDLNPQKARLLAALALTKTNDAKEIQRMFWQY 1DJO Chain:B ((4-330)) --------------------------NVVILATGGTIAGAGASAANSATYQAAKVGVDKLIAGVPELADLANVRGEQVMQIASESITNDDLLKLGKRVAELADSNDVDGIVITHGTDTLEETAYFLNLVQKTDKPIVVVGSMRPGTAMSADGMLNLYNAVAVASNKDSRGKGVLVTMNDEIQSGRDVSKSINIKTEAFKSAWGPLGMVVEGKSYWFRLPAKRHTVNSEFDIKQIS--SLPQVDIAYSYGNVTDTAYKALAQNGAKALIHAGTGNGSVSSRVVPALQQLR-KNGTQIIRSSHVNQGGFVLRNAEQPDDKNDWVVAHDLNPEKARILAMVAMTKTQDSKELQRIFWEY

General information: TITO was launched using: RESULT: Template: 1DJO.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1992 -164990 -82.83 -506.10 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.88 3D Compatibility (PKB) : -82.83 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.526

(partial model without unconserved sides chains): PDB file : Tito_1DJO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1DJO-query.scw PDB file : Tito_Scwrl_1DJO.pdb: