Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGRSRSRSSSRSKHTKSSKHNKKRSRSRSRSRDKERVRKRSKSRESKRNRRRESRSRSRSTNTAVSRRERDRERASSPPDRIDIFGRTVSKRSSLDEKQKREEEEKKAEFERQRKIRQQEIEEKLIEEETARRVEELVAKRVEEELEKRKDEIEREVLRRVEEAKRIMEKQLLEELERQRQAELAAQKAREEEERAKREELERILEENNRKIAEAQAKLAEEQLRIVEEQRKIHEERMKLEQERQRQQKEEQKIILGKGKSRPKLSFSLKTQD 5MQF Chain:K ((13-225)) ---------------------VDALPYFDQGYEAPGVREAAAALVEEETRR--------------YRPTKNYLSYLTAPDY-----------SAFETDIMRNEFERLAA--------RQPIAWQECVNNSMAQLEHQAVRIENLELMSQHGC----------NAWKVYNENLVHMIEHA-QKELQKLRKHIQDLNWQRKNMQLTAGSKLREMESNWVSLVSKNYEIERTIVQLENEIYQIKQQHGEANKENIRQDF-----------------

General information: TITO was launched using: RESULT: Template: 5MQF.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain K - contact count / total energy / energy per contact / energy per residue : 155 15241 98.33 79.80 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain K : 0.68 3D Compatibility (PKB) : 98.33 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.434

(partial model without unconserved sides chains): PDB file : Tito_5MQF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5mqf-query.scw PDB file : Tito_Scwrl_5MQF.pdb: