Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIEISLNKINKSYGFNPILKDFSFEIKSGERIALIGPNGCGKTTTLRII--MGEDIDSGSINIRKGARVGYL----SQIPNKEKDNVKAKEVFYRGVKELIELENNINEFVKNMNSSEKSIKALDRLQEEFRIKGGYQLNERINKIKNGFK-------LSDELLDTEYNNLSGGE--------KTIINLASLVLSEVDVLLLDEPTNHLDIETLEWFEEYLNNYKGACLIVSHDRYFLDRVINKIVEIKNCKE--EVYYGNYSYYLKESEKRFLLQFQSYKNQQKEI--TAIKEAIVRLKEWGTKSDNPMFFRRAAAM----QKRLDRMELIDKPVEKSELKVNFVTTDRSGNEVLKIKNLDLNIGSRELLVSSNMEIYYQDRVCLMGRNGTGKTTLIKNIINNTHDNIILGTNIKIGYIPQEIRFDNEELTIY-----EHMRKIFVGSESELRSKLNRFYFGSEEIDKKLKNISGGEKVRIKLLELILLKSNFLILDEPTNHIDIDTREILEEALLDFDGTILFISHDRYFINKIATRIVRIENKKLVSYE--GNYDSLKVKTVPVIENTIKETPQVINIKGSNRLNEFIKDAKIEEVTIGCSNTKVYKIRKKSKVFFLKVADHLSQESIR----------LDYLQDKILVPEKVFYEKYNGKSYILTKSLK---GEMLCSDYYSNHPLEGINIIVEAFNNLYNIDYSDCVIDETIDT---KIKRIEDRFSKINNEDINKKIL-------NRFITKENILKYLKGNKPKQI--IGFTHGDMSLPNIFACDGHFSGLLDV--SECGLGDIYFDLVICEISIERNYGK-----------EYIDKFYESLGIEKDEFKSEYYRILMSL 5KSD Chain:A ((1-833)) -VDLEKIPIEEVFQQLKCSREGLTTQEGEDRIQIFGPNKLEEKKESKLLKFLGFMWNPLSWVMEMAAIMAIALANGDGRPPDWQDFVGIICLLVINSTISFIEENNAGNAAAALMAGLAPKTKVLRDGKWSEQEAAILVPGDIVSIKLGDIIPADARLLEGDPLKVDQSALTGESLPVTKHPGQEVFSGSTCKQGEIEAVVIA-----TGVHTFFGKAAHLVDSTNQVGHFQKVLTAIGNFCICSIAIGMVIEIIVMYPIQRRKYRDGIDNLLVLLIGGIPIAMPTVLSVTMAIGSHRLSQQGAITKRMTAIEEMAGMDVLCSDKTGTLTLNKLSVDKNLVEVFCKGVEK--DQVLLFAAMASRVENQDAIDAAMVGMLADPKEAR---AGIREVHFLPF--NPVDKRTALTYIDGSGNWHRVSKGAPEQILELAKASNDLSKKVLSIIDKYAERGLRSLAVARQVVPEKTKESPGAP------WEFV----GLLPLFDPPRH---DSAETIRRALN-LGVNVKMITGDQLAIGKETGRRLGMGTNMYPSSALLGTHKDANLASIP-VEELIEKADGFAGVF-PEHKYEIVKKLQERKHIVGMTGDGVNDAPALKKADIGIAVADATDAARGASDIVLTEPGLSVIISAVLTSRAIFQRMKNYTIYAVSITIRIVFGFMLIALIWEFDFSAFMVLIIAILNDGTIMTISKDRVKPSPTPDSWKLKEIFATGVVLGGYQAIMTVIFFWAAHKTDFFSDTFGVRSIRDNNHELMGAVYLQVSIISQALIFVTRSRSWSFVERPGALLMIAFLIAQLIATLIAVYANWEFAKIRGIGWGWAGVIWLYSIVTYFPLDVFKFAIRYI----

General information: TITO was launched using: RESULT: Template: 5KSD.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 : 3946 87720 22.23 115.57 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 22.23 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.187

(partial model without unconserved sides chains): PDB file : Tito_5KSD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5ksd-query.scw PDB file : Tito_Scwrl_5KSD.pdb: