Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MTYIVQTNGLTKTYQGKEVVSNVSMHIKKGEIYGFLGPNGAGKTTIMKMLTSLVKPTSGEIIILGNKFTHTSYEVLGNIGSMIEYPIFYENLTAEENLDLHCEYMGYHNKKAIQEVLDMVN-LKQIDKKP----------VKTFSLGMKQRLGIARAILTKPDLLILDEPVNGLDPLGIKKIRQLFQVLSKEYGMTLLISSHLLGEIEQIADTIGVIRDGRLLEEVSMEDVRGQNTEYIELVTPNQTRACFVLEKE------LQLTNFK-ILNEKTIR---IYEAEASQAAISKALILNDVDIESMNKKYTSLEDYFIKLIN---GNSISA------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 4F4C Chain:A ((4-1306)) NGSLRQSLRTLDSFSLAPEDVLKTAIKTVEDYEGDNIDSNGEIKITRDEVVNKVSIPQLYRYTTTLEKLLLFIGTLVAVITGAGLPLMSILQGKVSQAFINEQIVINNNGSTFLPTGQNYTKTDFEHDVMNVVWSYAAMTVGMWAAGQITVTCYLYVAEQMNNRLRREFVKSILRQEISWFDTNHSGTLATKLFDNLERVKEGTGDKIGMAFQYLSQFITGFIVAFTHSWQLTLVMLAVTPIQALCGFAIAKSMSTFAIRETLRYAKAGKVVEETISSIRTVVSLNGLRYELERYSTAVEEAKKAGVLKGLFLGISFGAMQASNFISFALAFYIGVGWVHDGSLNFGDMLTTFSSVMMGSMALGLAGPQLAVLGTAQGAASGIYEVLDRKPVIDSSSKAGRKDMKIKGDITVENVHFTY--------PSRPDVPILRGMNLRVNAGQTVALVGSSGCGKSTIISLLLRYYDVLKGKITIDGVDVRDINLEFLRKNVAVVSQEPALFNCTIEENISLGKEGI---TREEMVAACKMANAEKFIKTLPNGYNTLVGDRGTQLSGGQKQRIAIARALVRNPKILLLDEATSALDAESEGIVQQALDKAAK--GRTTIIIAHRLSTIRN-ADLIISCKNGQVVEVGDHRALMAQQGLYYDLVTAQTFTDAVDSAAEGERIGKDALSRLKQELEENNAQKTNLFEILYHARPHALSLFIGMSTATIGGFIYPTYSVFFTSFMNVFAGNPADFLSQGHFWALMFLVLAAAQGICSFLMTFFMGIASESLTRDLRNKLFRNVLSQHIGFFDSPQNASGKISTRLATDVPNLRTAIDFRFSTVITTLVSMVAGIGLAFFYGWQMALLIIAILPIVAFGQYLRGRRFTGKNVKSASEFADSGKIAIEAIENVRTVQALAREDTFYENFCEKLDIPHKEAIKEAFIQGLSYGCASSVLYLLNTCAYRMGLALIITDPPTMQPMRVLRVMYAITISTSTLGFATSYFPEYAKATFAGGIIFGMLRKISKIDSLSLAGEKKKLYGKVIFKNVRFAYPERPEIEILKGLSFSVEPGQTLALVGPSGCGKSTVVALLERFYDTLGGEIFIDGSEIKTLNPEHTRSQIAIVSQEPTLFDCSIAENIIYGLDPSSVTMAQVEEAARLANIHNFIAELPEGFETRVGDRGTQLSGGQKQRIAIARALVRNPKILLLDEATSALDTESEKVVQEALDRAREGRTCIVIAHRLNTVMNADCIAVVSNGTIIEKGTHTQLMSEK

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 : 1060 -144673 -136.48 -493.76 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.52 3D Compatibility (PKB) : -136.48 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.52 QMean score : 0.459

(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: