Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKMVFLTDLRKHNRIVKSINQTEGYLTTQVAFSYFEKGDQSLTMSEKSQWGSKLGFILASAGSVIGLGSVWKFPYMTAANGGGGFLLIFLISTILIGFPLLLAEFALGRSAGVSAIKTFGKLGKNNKYNFIGWIGAFALFILLSFYSVIGGWILVYL-------------------------GIEFGKLFQLGGTGDYAQLFTSIISNPAIALGAQ---------ATFILLNIFIVSRGVQKGIERASKVMMP---LLFIIFVVIIERSLSLPNAMEGVLYFLKPDFSKLTSAGL-LYALRQSFFALSLGVTAMLTYASYLDKKTNLVQSRISIVAMNISVSIMAGLAIFQARSPFNIQSEG---------GPSLVFIVLPQLFDKMP----FGTIFYVLFLFATVTSSVVMLEINVDNITNQDN---SKRAKWSVILGILTFVFGIPSALSYGVMADVHIFGKAFFDAMDFLVSNLLMPFGALFLSLFTGYIFKKALAMEELHLDERAWKQGLFQV--------------------------------------------------------------------------- 5I6X Chain:A ((1-544)) -------------------------------------GSQG----ERETWGKKVDFLLSVIGYAVDLGNVWRFPYICAQNGGGAFLLPYTIMAIFGGIPLFYMELALGQYHRNGCISIWRKIC--PIFKGIGYAICIIAFYIASYYNTIMAWALYYLISSFTDQLPWTSCKNSWNTGNCTNYFSEDNITWTLHSTSPAEEFYTRHVLQIHRSKGLQDLGGISWQLALCIMLIFTVIYFSIWKGVKTSGKVVWVTATFPYIALSVLLVRGATLPGAWRGVLFYLKPNWQKLLETGVWIDAAAQIFFSLGPGFGVLLAFASYNKFNNNCYQDALVTSVVNCMTSFVSGFVIFTVLGYMAEMRNEDVSEVAKDAGPSLLFITYAEAIANMPASTFFAIIFFLMLITLGLDSSFAGLEGVITAVLDEFPHVWAKRRERFVLAVVITCFFGSLVTLTFGGAYVVKLLEE--YATGPAVLTVALIEAVAVS---WFYGITQFCRDVKEMLGFSPGWFWRICWVAISPLFLLFIIASFLMSPPQLRLFQYNYPYWSIILGYAIGTSSFICIPTYIAYRLIITPGTFKERIIKSITPETP

General information: TITO was launched using: RESULT: Template: 5I6X.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 : 2128 -246954 -116.05 -595.07 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -116.05 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.357

(partial model without unconserved sides chains): PDB file : Tito_5I6X.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5I6X-query.scw PDB file : Tito_Scwrl_5I6X.pdb: