Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAYQEDLHPLLGKAVEHINRVMVGKRDIAILSLAALLAKGHVLLEDVPGVGKTMMVRALAKSI-GADFKRIQFTPDLLPSDVTGVSIYNAKTMEF-------------EYRPGPIMGNIVLADEINRTSPKTQSALLEAMEEGSVTVDGHTMQLADPFFVMATQNPVEYEGTYPLPEAQLDRFLFKLRMGYPSFNEELDVLSLQEKSHPIETLEPVIAKEDFIFLQREVQNVRADDSIKEYIVEIVQKTRQHPSVQLGVSPRGSIALMKAAQAYALLHHRDYVIPDDIQYLAPFTLPHRMMLHPEAKFEGIQAEAIVREIMSAVKVPVQRSAVR 1SXJ Chain:D ((60-269)) ----------------------------------------HMLFYGPPGTGKTSTILALTKELYGPDLMKSRIL-ELNASDERGISIVREKVKNFARLTVSKPSKHDLENYPCPPY-KIIILDEADSMTADAQSALRRTME----TYSGVTRFCLICNYVTRIIDPL---------ASQCSKFRFK----------ALDA------SNAIDRLR-------FI---SEQENVKCDDGVLERILDI----------SAGDLRRGITLLQSASKGAQYLGDGKNITSTQVEELAG-VVPHDILI--------------------------------

General information: TITO was launched using: RESULT: Template: 1SXJ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 814 -91020 -111.82 -464.39 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain D : 0.66 3D Compatibility (PKB) : -111.82 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.349

(partial model without unconserved sides chains): PDB file : Tito_1SXJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1SXJ-query.scw PDB file : Tito_Scwrl_1SXJ.pdb: