Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------------------------------------------------MVEIKNLSLDYGEEHIL----DDISL----SIAEGECVLFTGKSGNGKSSLINSINGLA---VRYDNAKTKGEIIIDGKNIKNLELYQISML---VSTVFQNPKTYFFNVNTTLELLFYLENIGLAREEMDRRLKDMLKIFPIKNLLNRNIFNLSGGEKQILCIAASYIAGTKIIVMDEPSSNLDIKSISVLAKMLKILKEKGISIIVAEHRIYYLMDIVDRVFLIDKGK------LKKTYTRSEFLKLDKNELNALSLRDKELS--------KLKVPYLKEGGEYQIKNLSYKFTDDECLSLKDISFKLGKIYGIIGSNGRGKSTLLRCLIGLEKKSKEEIYFKGEKLSKKERLKNSSLVMQDVNHQLFTDEVFNELRLGVKNFDEEKAKIILKDLGLDEFIERHPMSLSGGQKQRLAIASVMCKNSPFIFFDEPSSGMDYSNMIKISELINKYKTM-DKIIFIVSHDIEFLNEVADEIFEL------------------------------------------------------------------- 3J16 Chain:B ((1-608)) MSDKNSRIAIVSADKCKPKKCRQECKRSCPVVKTGKLCIEVTPTSKIAFISEILCIGCGICVKKCPFDAIQIINLPTNLEAHVTHRYSANSFKLHRLPTPRPGQVLGLVGTNGIGKSTALKILAGKQKPNLGRFDDPPEWQEIIKYFRGSELQNYFTKMLEDDIKAIIKPQYVDNIPRAIKGPVQKVGELLKLRMEKSPEDVKRYIKILQLENVLKRDIEKLSGGELQRFAIGMSCVQEADVYMFDEPSSYLDVKQRLNAAQIIRSLLAPTKYVICVEHDLSVLDYLSDFVCIIYGVPSVYGVVTLPASVREGINIFLDGHIPAENLRFRTEALQFRIADATEDLQNDSASRAFSYPSLKKTQ-GDFVLNVEEGEFSDSEILVMMGENGTGKTTLIKLLAGALKPDEGQDIPKLNVSMKPQKIAPK---FPGTVRQLFFKKIRGQFLN--PQFQTD----VVKPLRIDDIIDQEVQHLSGGELQRVAIVLALGIPADIYLIDEPSAYLDSEQRIICSKVIRRFILHNKKTAFIVEHDFIMATYLADKVIVFEGIPSKNAHARAPESLLTGCNRFLKNLNVTFRRDPNSFRPRINKLDSQMDKEQKSSGNYFFLDNTGI

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 : 1991 100075 50.26 225.39 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.67 3D Compatibility (PKB) : 50.26 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.429

(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: