Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------------------------------------MITVNDVSLHFSDRKLFDDVNIKF-------------TPGNCYGLIGANGAGKSTFLKVLSGDLQPSTGSVTMGPDERMAVLKQNHYDYEDYTVLETVIMGHKRLYEVLKEKDAIYMKEDFTDEDGIRAAELEGEFAELNGWEAEPEAAVLLQGLNIPEELHHQQMSELTGGQKVKVLLAQTLFGKPDVLLLDEPTNGLDIQSINWLEEFLINFEN---TVIVVSHDRHFLNKVCTHMADLDFGKIKLYVGNYDFWLESSQLAAKLQANANAKKEEQIKELQEFIARFSANASKSKQATSRKKMLEKITLDDIQPSSRRYPFVGFKPEREIGNDLLQVENVSVTIDGKKILDDISFNLSKEDKVAFVAENDITTTTLFKVIMGEITPDTGTVRWGVTTSNSYLPKDTTKEFDTDLTILDWLRQYASKEEDDNTFLRSFLGRMLFSGEEVLKPVNVLSGGEKVRCMLSKMMLSKANVLVLDDPTNHLDLESITALNDGLMAFTGS----ILFASHDHQFIQTLANRIIAV----SDKGVIDR---ADTTYDEFLENADI-----------------------QKQLNELWA------ 3J16 Chain:B ((1-608)) MSDKNSRIAIVSADKCKPKKCRQECKRSCPVVKTGKLCIEVTPTSKIAFISEILCIGCGICVKKCPFDAIQIINLPTNLEAHVTHRYSANSFKLHRLPTPRPGQVLGLVGTNGIGKSTALKILAGKQKPNLGRFDDPPEWQEIIKYFRGSELQNY--FTKMLEDDIKAIIKPQYVDNIPRAIKGPVQKVGELLKLRME-------KSPEDVKRYIKILQL-ENVLKRDIEKLSGGELQRFAIGMSCVQEADVYMFDEPSSYLDVKQRLNAAQIIRSLLAPTKYVICVEHD----LSVLDYLSD----FVCIIYGVPSVYGVVTL-PASVREGINIFLDGHIPAENLRFRTEALQFRIADATEDLQN--------DSASRAFSYP----SLKKTQGDFVLNVEEGE---------------FSDSEILVMMGENGTGKTTLIKLLAGALKPDEGQDIPKLN--VSMKPQKIAPKFPG--TVRQLFFKKIRGQFLNPQFQTDVVKPLRID-DIIDQEVQHLSGGELQRVAIVLALGIPADIYLIDEPSAYLDSEQRIICSKVIRRFILHNKKTAFIVEHDFIMATYLADKVIVFEGIPSKNAHARAPESLLTGCNRFLKNLNVTFRRDPNSFRPRINKLDSQMDKEQKSSGNYFFLDNTGI

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 : 2263 71788 31.72 146.80 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : 31.72 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.391

(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: