Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIKKWLGLAALATVAGLALAACGNSEKKADNATTIKIATVNRSGSEEKRWDKIQELVK-KDGITLEFTEFTDYSQPNKATADGEVDLNAFQHYNFLNNWNKENGKDLVAIGDTYISPIRLYSGLNGSANKYTKVEDIPANGEIAVPNDATNESRALYLLQSAGLIKLDV---SGTALATVANIKENPKNLKITELDASQTARSLSSVDAAVVNNTFVTEAKLD-YKKALFKEQADENSKQWYNIIVAKKDWETSPKADAIKKVIAAYHTDDVKKVIEESSDGLDQPVW 4QHQ Chain:A ((1-235)) ----------------------------------VIKVGTV--AGPDSEVWQVVQKVAKEKEGLNVKVIEFNDYVQPNAALDSGDLDANSFQHQPYLDSQVKQRGYKIVSAGLTYISPIGVYS------KKFKSLKDLPQGAKLAVPNDPSNENRALLLLQTQGVIKLKAGAGTGGNNATVLDIAENPKKLKISELDAAQLPRVLSDVDAAVINTNYALAANLQPTKDAIALESL---TSPYANLIAVRAKDKDQP---WVKKLVKAYQSPEVKEFIKKQFKG------

General information: TITO was launched using: RESULT: Template: 4QHQ.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 : 1270 75381 59.36 327.74 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : 59.36 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.571

(partial model without unconserved sides chains): PDB file : Tito_4QHQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QHQ-query.scw PDB file : Tito_Scwrl_4QHQ.pdb: