Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------------------------------------------------MIEISLNKINKSYGFNPILKDFSF----EIKSGERIALIGPNGCGKTTTLRIIMGEDIDSGSINIRKGARVGYLSQIPNKEKDNVKAKEVFYRGVKELIELENNINEFVKNMNSSEKSIKALDRLQEEFRIKGGYQLNERINKIKNGFKLSDELLDTEYNNLSGGEKTIINLASLVLSEVDVLLLDEPTNHLDIETLEWFEEYLNNYKG---ACLIVSHDRYFLDRVINKIVEIKNCKEEVYYGNYSYYLKESEKRFLLQFQSYKNQQKEITAIKEAIVRLKEWGTKSDNPMFFRRAAAMQKRLDRMELIDKPVEKSELKVNFVTTDRSGNEVLKIKNLDLNIGSRELLVSSNMEIYYQDRVCLMGRNGTGKTTLIKNIINNTHDNI-ILGTNIKIGYIPQEIRFDNEELTIYEHMRKIFVGS--ESELRSKLNRFYFGSEEIDKKLKNISGGEKVRIKLLELILLKSNFLILDEPTNHIDIDTREILEEALLDFDGTILFISHDRYFINKIATRIVRIENKKLVSYEGNYDSLKVKTVPVIENTIKETPQVINIKGSNRLNEFIKDAKIEEVTIGCSNTKVYKIRKKSKVFFLKVADHLSQESIRLDYLQDKILVPEKVFYEKYNGKSYILTKSLKGEMLCSDYYSNHPLEGINIIVEAFNNLYNIDYSDCVIDETIDTKIKRIEDRFSKINNEDINKKILNRFITKENILKYLKGNKPKQIIGFTHGDMSLPNIFACDGHFSGLLDVSECGLGDIYFDLVICEISIERNYGKEYIDKFYESLGIEKDEFKSEYYRILMSL 3J16 Chain:B ((1-608)) MSDKNSRIAIVSADKCKPKKCRQECKRSCPVVKTGKLCIEVTPTSKIAFISEILCIGCGICVKKCPFDAIQIINLPTNLEAHVTHRYSANSFKLHRLPTPRPGQVLGLVGTNGIGKSTALKILAGKQKPNLGRFDDPPEWQEIIKYFRGSE---------LQNYFTKMLEDDIKAIIKPQYVDNIPRAIKGPVQKVGELLKLRMEKSPEDVKRYIKILQL-ENVLKRDIEKLSGGELQRFAIGMSCVQEADVYMFDEPSSYLDVKQRLNAAQIIRSLLAPTKYVICVEHDLSVLDYLSDFVC--------IIYGVPSVYGVVTLP----------------ASVREGINIFLDGHIPAENLRFRTEALQFRIADATED----------------LQNDSASRAFSYPSLKKTQGDFVLNVEE-GEFSDSEILVMMGENGTGKTTLIKLLAGALKPDEGQDIPKLNVSMKPQKIAPKFPG-TVRQLFFKKIRGQFLNPQFQTDVVKPLRIDDIIDQEVQHLSGGELQRVAIVLALGIPADIYLIDEPSAYLDSEQRIICSKVIRRFILHNK------------------------------------KTAFIVEH----------------------------------------------------------DFIMATYLADKVIV-----FEGIPSKNAHARAPES------------------------------------LLTGCNRFLKNLNVTFRR-----------------------------------------------------------------------------DPNSFRPRINKLDSQMDKEQKSSGNYFFLDNTGI

General information: TITO was launched using: RESULT: Template: 3J16.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 : 2676 128487 48.01 243.35 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.62 3D Compatibility (PKB) : 48.01 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.203

(partial model without unconserved sides chains): PDB file : Tito_3J16.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3j16-query.scw PDB file : Tito_Scwrl_3J16.pdb: