Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVEIKNLSLDYGE---EHILDDISLSIAEGECVLFTGKSGNGKSSLINSINGLAVRYDNAKTKGEIIIDGKNIKNLELYQISMLVSTVFQNPKTYFFNVNTTLELLFYLENIGLAREE---MDRRLKDMLKIF--PIKNLLNRNIFNLSGGEKQILCIAASYIAGTKIIVMDEPSSNLDIKSISVLAKMLKILKEKGISIIVAEHRIYYLMDIVDRVFLIDKGKLKKTYTRSEFLKLDK-------------------N-ELNA--LS---------------------------------------------------------------LRDKE--L-------------------------------------------------------S--KLKVP------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------YLKEGGEYQIKNLSYKFTD---DECLSLKDISFKLGKIYGIIGSNGRGKSTLLRCLIGLEKKSKEEIYFKGEKLS---KKERLKNSSLVMQDVNHQLFTDEVFNELRLGVKN--FDEEKAKIILKDLGLDE-----------FIERHPMSLSGGQKQRLAIASVMCKNSPFIFFDEPSSGMDYSNMIKISELINKYKTMDKIIFIVSHDIEFLNEVADEIFEL 4F4C Chain:A ((416-1288)) -ITVENVHFTYPSRPDVPILRGMNLRVNAGQTVALVGSSGCGKSTIISLLLRYYDV-L----KGKITIDGVDVRDINLEFLRKNVAVVSQEPAL--FNCTIEENISLGKEGITREEMVAACKMANAEKFIKTLPNGYNTLVGDRGTQLSGGQKQRIAIARALVRNPKILLLDEATSALDAESEGIVQQALDKAA-KGRTTIIIAHRLSTIRN-ADLIISCKNGQVVEVGDHRALMAQQGLYYDLVTAQTFTDAVDSAAEG----ERIGKDALSRLKQELEENNAQKTNLFEILYHARPHALSLFIGMSTATIGGFIYPTYSVFFTSFMNVFAGNPADFLSQGHFWALMFLVLAAAQGICSFLMTFFMGIASESLTRDLRNKLFRNVLSQHIGFFDSPQNASGKISTRLATDVPNLRTAIDFRFSTVITTLVSMVAGIGLAFFYGWQMALLIIAILPIVAFGQYLRGRRFTGKNVKSASEFADSGKIAIEAIENVRTVQALAREDTFYENFCEKLDIPHKEAIKEAFIQGLSYGCASSVLYLLNTCAYRMGLALIITDPPTMQPMRVLRVMYAITISTSTLGFATSYFPEYAKATFAGGIIFGMLRKISKIDSLSLAGEKKKLYGKVIFKNVRFAYPERPEIEILKGLSFSVEPGQTLALVGPSGCGKSTVVALLERFYDTLGGEIFIDGSEIKTLNPEHTRSQIAIVSQEPT--LFDCSIAENIIYGLDPSSVTMAQVEEAARLANIHNFIAELPEGFETRVGDRGTQLSGGQKQRIAIARALVRNPKILLLDEATSALDTESEKVVQEALDRARE-GRTCIVIAHRLNTVMN-ADCIAVV

General information: TITO was launched using: RESULT: Template: 4F4C.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 : 1718 17992 10.47 41.27 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : 10.47 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.456

(partial model without unconserved sides chains): PDB file : Tito_4F4C.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4F4C-query.scw PDB file : Tito_Scwrl_4F4C.pdb: