Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MVQENIVIEMQNITKEFG-TFKANDNINLQVKAGEIHALLGENGAGKSTLMNVLSGLLEPTSGKILMRGKEVKITSPTKANQLGIGMVHQHFMLVDAFTVTENIVLGSE-PSRAGMLDHKK---ARKEIQKVSEQYGLSVNPDAYVRDISVGMEQRVEILKTLYRGADVLIFDEPTAVLTPQEIDELIVIMKELVKEGKSIILITHKLDEIKAVADRCTVIRRGKGIGTVNVKDVTSQQLADMMVGRTVSFKTMKKEAKPQEVVLSIENLVVKENRGLEAVKNLNLEVRAGEVLG--IAGIDGNGQSELIQALTGLRKAESGHIKLKGEDITNKKPRKITEHGVGHVPEDRHKYGLVLDMTLSENIALQTYHQKPYSKNGMLNYSVMNEHARELIEEYDVRTTNELVPAKALSGGNQQKAIIAREVDRDPDLLIVANPTRGLDVGAIEFIHKRLIEQRDKYKAVLLISFELEEILNVSDRIAVIHEGEIVGIVDPKETSENELGLLMAGYTLEEARKELEKGAGAHE------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 4F4C Chain:A ((4-1306)) NGSLRQSLRTLDSFSLAPEDVLKTAIKTVEDYEGDNIDSNGEIKITRDEVVNKVSIPQLYRYTTTLEKLLLFIGTLVAVITGAGLPLMSILQGKVSQAFINEQIVINNNGSTFLPTGQNYTKTDFEHDVMNVVWSYAAMTVGMWAAGQITVTCYLYVAEQMNNRLRREFVKSILRQEISWFDTNHSGTLATKLFDNLERVKEGTGDKIGMAFQYLSQFITGFIVAFTHSWQLTLVMLAVTPIQALCGFAIAKSMSTFAIRETLRYAKAGKVVEETISSIRTVVSLNGLRYELERYSTAVEEAKKAGVLKGLFLGISFGAMQASNFISFALAFYIGVGWVHDGSLNFGDMLTTFSSVMMGSMALGLAGPQLAVLGTAQGAASGIYEVLDRKPVIDSSSKAGRKDMKIKGDITVENVHFTYPSRPDVPILRGMNLRVNAGQTVALVGSSGCGKSTIISLLLRYYDVLKGKITIDGVDVRDINLEFLRKN-VAVVSQEPALFN-CTIEENISLGKEGITREEMVAACKMANAEKFIKTLPNGYNTLVGDRG--TQLSGGQKQRIAIARALVRNPKILLLDEATSALDAESEGIVQQALDKAAK-GRTTIIIAHRLSTIRN-ADLIISCKNGQVVEVGDHRALMAQQ------------GLYYDLVTAQTFTDAVDSAAEGERIGKDALSRLKQELEENNAQKTNLFEILYHARPHALSLFIGMSTATIGGFIYPTYSVFFTSFMNVFAGNPADFLSQGHFWALMF-LVLAAAQGICSFLMTFFM--GIASESLTRDLRNKLFRNVLSQHIGFFDSPQN------ASGKISTRLATDVPNLRTAIDFRFSTVITTLVSMVAGIGLAFFYG--WQMALLIIAILPIVAFGQYLRGRRFTG-KNVKSASEFADSGKIAIEAIENVRTVQALAREDTFYENFCEKLDIPHKEAIKEAFIQGLSYGCASSVLYLLNTCAYRMGLALIITDPPTMQPMRVLRVMYAITISTSTLGFATSYFPEYAKATFAGGIIFGMLRKISKIDSLSLAGEKKKLYGKVIFKNVRFAYPERPEIEILKGLSFSVEPGQTLALVGPSGCGKSTVVALLERFYDTLGGEIFIDGSEIKTLNPEHTRSQIAIVSQEPTLFDCSIAENIIYGLDPSSVTMAQVEEAARLANIHNFIAELPEGFETRVGDRGTQLSGGQKQRIAIARALVRNPKILLLDEATSALDTESEKVVQEALDRAREGRTCIVIAHRLNTVMNADCIAVVSNGTIIEKGTHTQLMSEK

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 : 1880 61383 32.65 125.27 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : 32.65 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.329

(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: