Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLNIIRLLAESLPRISDGNENTDVWVNDMKFKMAYSFLNDDIDVIERELEQTVRSDYPLLSEAGLHLLQAGGKRIRPVFVLLSG-MFGDYDINKIKYVAVTLEMIHMASLVH--DDVIDDAELRRGKPTIKAKWDNRIAMYTGDYMLAGSLEMMTRINEPKAH---RI-------LSQTIVEVCLGEIEQIKDKYNMEQNLRTYLRRIKRKTALLIAVSCQLGAIASGADEKIHKALYWFGYY---VGMSYQIIDDILDFTSTEEELGKPVGGDLLQGNVTLPVLYALKNPALKNQLKLINSETTQEQLEPIIEEIKKTDAIEASMAVSEMYLQKAFQKLNTLPRGRARSSLAAIAKYIGKRKF 1RQJ Chain:A ((43-289)) ----------------------------------------------------------------------GGKRLRPFLVYATGHMFG-VSTNTLDAPAAAVECIHAYSLIHDDLPAMDDDDLRRGLPTCHVKFGEANAILAGDALQTLAFSILSDADMPEVSDRDRISMISELASASGIAGMCGGQALDL-DAEGKHVPLDALERIHRHKTGALIRAAVRLGALSAG--DKGRRALPVLDKYAESIGLAFQVQDDILDVVGDTATLGKRQGADQQLGKSTYPALLGLEQ-ARKKARDLIDD--ARQSLKQLAEQSLDTSALEA----------------------------------------

General information: TITO was launched using: RESULT: Template: 1RQJ.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 : 1139 14059 12.34 60.86 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 12.34 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.273

(partial model without unconserved sides chains): PDB file : Tito_1RQJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1RQJ-query.scw PDB file : Tito_Scwrl_1RQJ.pdb: