Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMKEAVTVSNVTKHFQRKTAVNNISFSIEKGEIAAILGPNGAGKTTVVSMILGLLKPSEGEIKLFNRVPDDQQ-VREKIGVMLQEVSVMPGLKVDEILELFRSYYPNP-----LSMKELVSLTALTKEDLKTRAEKLSGGQKRRLSFALALAGNPELLILDEPTVGMDTSSRHRFWQTIHGLSD-QGKTIIFSTHYLQEADDAAQRILFFTEGQLVADGSPMQIRSRIQKQSVSFTLHSSESLERLSCHPEVERVIHEHERTIIQTSNTDKVLALIFQENIHARDIRIEQATLDEAFRQLADGNREAM 4TQU Chain:S ((2-225)) --VASVSIQNVVKRYDKTTVVHGVSLDIEPGEFVVLVGPSGCGKSTTLRMVAGLEEISGGTIRIDGRVINDLAPKDRDVAMVFQNYALYPHLNVRDNISFGLRLKRTKKSVIDAAVKTAADILGLQP-LLERKPSDLSGGQRQRVAMGRAIVRDPKVFLFDQPLSNLDAKLRTQMRAEIKRLHQRLGTTVIYVTHDQVEAMTLADRIVVMRDGLIEQIGKPMDLFLH---------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4TQU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain S - contact count / total energy / energy per contact / energy per residue : 1115 -35082 -31.46 -161.67 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain S : 0.72 3D Compatibility (PKB) : -31.46 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.399

(partial model without unconserved sides chains): PDB file : Tito_4TQU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4TQU-query.scw PDB file : Tito_Scwrl_4TQU.pdb: