Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSILKAENLYKTYGD-KTLFDHISFHIEENERIGLIGPNGTGKSTLLKVIAGLESIEEGEITKSGSV--QVEFLHQDPELP--AGQTVLEHIYSGESAVMKTLREYEKALYELGKDPENEQRQKHLLAAQAKMDANNAWDANTLAKTVLSKLGVN-DVTKPVNELSGGQKKRVAIAKNLIQPADLLILDEPTNHLDNETIEWLEGYLSQY---PGAVMLVTHDRYFLNRVTNRIYELERGSLYTYKGNYEVFLEKRAEREAQAEQKETKRQNLLRRELAWLRRGAKARSTKQKARIDRVETLKEQTGPQSSGSLDFAIGSHRLGKQVIEAENVMIAYDGRMLVDRFNELVIPGERIGIIGPNGIGKTTLLNALAGRHTPDGGDITIGQTVRIGYYTQDHSEMNGELKVIDYIKETAEVVKTADGDMITAEQMLERFLFPRSMQQTYIRKLSGGEKRRLYLLQVLMQEPNVLFLDEPTNDLDTETLSVLEDYIDQF----PGVVITVSHDRYFLDRVVDRLIVFEGN--GVISRFQGSYSDYMEESKAKKAAPKPAAEEKTAEAEPKKKRKKLSYKDQLEWDGIEDKIAQLEEKHEQLEADIAAAGSDFGKIQELMAEQAKTAEELEAAMDRWTELSLMIEELES 3J16 Chain:B ((82-559)) -------HVTHRYSANSFKLHRLP-TPRPGQVLGLVGTNGIGKSTALKILAGKQKPNLGRFDDPPEWQEIIKYFRG-SELQNYFTKMLEDDIKAIIKPQ------YVDNIPRA-----IK---GPVQKVGELLK-LRMEKSPEDVKRYIKILQLENVLKRDIEKLSGGELQRFAIGMSCVQEADVYMFDEPSSYLDVKQRLNAAQIIRSLLAPTKYVICVEHDLSVLDYLSDFVCIIYGVPSV-Y-GVVTLPASVRE------------------GINIFLDGHIPAENL--RFRTEAL---QFRIAD----AT-EDL-QNDSASRAFSYPSLKKTQG-DFVLNVEEGEFSDSEILVMMGENGTGKTTLIKLLAGALKPDEGQDIP--KLNVSMKPQKIAPKF-PGTVRQLFFKKIRGQ---FLNPQFQTDVVKPLRIDD-IIDQEVQHLSGGELQRVAIVLALGIPADIYLIDEPSAYLDSEQRIICSKVIRRFILHNKKTAFIVEHDFIMATYLADKVIVFE-GIPSKNAH-ARAPESLLT-----------------------------------------------------------------------------------------------------

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 : 2469 -195572 -79.21 -422.40 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.69 3D Compatibility (PKB) : -79.21 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.390

(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: