Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------------------------------------------------------------------------------------MDEILKQYMVLYKKMSNMINGPDYPGKEKDIQHQKDQIEVYEKQLQQGFSTDYDYDVFADSVIKCAYGDMTLEDLEAVYYGLTTPFF---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 4V2X Chain:A ((54-587)) KTLDIQSYVRDMQPGWNLGNTFDAVGQDETAWGNPRVTRELIEQIADEGYKSIRIPVTWENRIGGAPDYPIDPQFLNRVDQVVQWALEEDLYVMINLHHDSWLWIYEMEHNYNGVMVKYRSLWEQLSNHFK--DYPTK-----------LMFESVNEPKFSQNWGE---------------IRENHHALLDDLNTVFFEIVRQSGGQNDIRPLVLPTMETATSQPLLNNLYQTIDKLDDPNLIATVHYYGFWPFSVNIAGYTRFEENSKQEIIEAFDRVHHTFVARGIPVVLGEFGLLGFDKHTGVIQQGEKLKFFEFLIHHLNERDITHMLWDNGQHFNRHTYEWYDQELFDMMRASWEGRSSVAESNFIYLKQGDRIADATVSLQLHGNELTGLRANGQRLTPGQDYELNGERLTVKAHVLSAIASSGTLGTNGMVTAEFNRGADWHFRVNTYRTPVLQSTQGHVSNFSIPASFNGNSLATMEAVYVDGGNAGPQDWTSFKEFGYAFSPSYDANEMKLTEAFFREVRDGEVRLTFHFWSGETVNYTIIKNGNQVTGIAAQ

General information: TITO was launched using: RESULT: Template: 4V2X.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 : 130 7175 55.19 121.61 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : 55.19 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.308

(partial model without unconserved sides chains): PDB file : Tito_4V2X.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4V2X-query.scw PDB file : Tito_Scwrl_4V2X.pdb: