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 1RQI Chain:B ((44-290)) ----------------------------------------------------------------------GGKRLRPFLVYATGHMFG-VSTNTLDAPAAAVECIHAYSLIHDDLPAMDDDDLRRGLPTCHVKFGEANAILAGDALQTLAFSILSDADMPEVSDRDRISMISELASASGIAGMCGGQALDL-DAEGKHVPLDALERIHRHKTGALIRAAVRLGALSAG--DKGRRALPVLDKYAESIGLAFQVQDDILDVVGDTATLGKRQGADQQLGKSTYPALLGLEQ-ARKKARDLIDD--ARQSLKQLAEQSLDTSALEA----------------------------------------

General information: TITO was launched using: RESULT: Template: 1RQI.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 : 1101 5014 4.55 21.71 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain B : 0.70 3D Compatibility (PKB) : 4.55 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.288

(partial model without unconserved sides chains): PDB file : Tito_1RQI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1RQI-query.scw PDB file : Tito_Scwrl_1RQI.pdb: