Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVIDFKQDILAPVATDFAAMDHLINEGISSKVGLVMSVSKHVVEAGGKRMRPIMCLLAARACGLD-NMQNAQRLAAIIEMLHTATLVHDDVVDESG--LRRGRPTANATWNNQTAVLVGDFLIARAFDLLVDLN--------NMTLLKDFST--GTCEIAEGEVLQL--QSQHQP-DTTEETYLKIIHGKTSRLFELATEGAAILAGQEAYR--EPLRLFAGHFGNAFQIIDDILDYTSDAETLGKNIGDDLMEGKPTLPLISALAHSTGEEHAIIRRSIATGGVDQLPKVIEIVQKSGALDYCQRRAQEETEAALQALSILPDTPYRQALINLTRLALHRIQ 1RQI Chain:B ((44-268)) ---------------------------------------------GGKRLRPFLVYATGHMFGVSTNTLDAP--AAAVECIHAYSLIHDDLPAMDDDDLRRGLPTCHVKFGEANAILAGDALQTLAFSILSDADMPEVSDRDRISMISELASASGIAGMCGGQALDLDAEGKHVPLDALE----RIHRHKTGALIRAAVRLGALSAGDKGRRALPVLDKYAESIGLAFQVQDDILDVVGDTATLGKRQGADQQLGKSTYPALLGLEQARKKARDLI-------------------------------------------------------------------

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 : 937 -15413 -16.45 -74.46 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.69 3D Compatibility (PKB) : -16.45 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.224

(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: