Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSLSQVNADVLKQAQQRIQQDLLTTLAAFSIPEPLKSAVHHAVMLGGKRVRPALCYATASLQDNPNFAAARRA----AVAVELIHCYSLAHDDLPCMDNDLLRRGQPTCHVAFGEDTALLAGDILQSMAFEVLGSRLFDEQGQGTDAAIVLKQIQILATAS--SKMVCGQVLDLQAEAKQISQDELENIHRNKTGALIQAAIMMGAVTIFPGTDQAIPKLRQYGQAIGLAFQVQDDILDITSSTETLGKTAGKDEQVQKSTYPALMGLEQAQIYAKELHDQAFEALAHFGENAKELVEISQFLLARTN 1RQI Chain:A ((32-282)) ----------------------------------PVVETMQYGALLGGKRLRPFLVYATGHM-----FGVSTNTLDAPAAAVECIHAYSLIHDDLPAMDDDDLRRGLPTCHVKFGEANAILAGDALQTLAFSILSDADMPEVSDRDR----ISMISELASASGIAGMCGGQALDLDAEGKHVPLDALERIHRHKTGALIRAAVRLGALSAGDKGRRALPVLDKYAESIGLAFQVQDDILDVVGDTATLGKRQGADQQLGKSTYPALLGLEQARKKARDLIDDARQSLKQLAEQS---------------

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 A - contact count / total energy / energy per contact / energy per residue : 1235 -6980 -5.65 -28.49 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -5.65 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.379

(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: