Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQIEMKDIHKTFGK---NQVLSGVSFQLMPGEVHALMGENGAGKSTLMNILTGLHKADKGQISINGNETYFSNPKEAEQHGIAFIHQELNIWPEMTVLENLFIGKEISSKLGVLQTRKMKALAKEQFDKL--SVSLSLDQEAGECSVGQQQMIEIAKALMTNAEVIIMDEPTAALTEREISKLFEVITALKKNGVSIVYISHRMEEIFAICDRITIMRDGKTVDTTNISETDFD----------------------------------------E------V------------------------------------------V-------KK--M--------------------------------------------------------VGR-----------------------------------------E-LT------------------E--R-----------------------------Y----------------------------------------------------------PKRTP--------------------------------------------------------SLGDKVFEVKNASV-------KGSFEDVSFYVRSGEIVGVSGLMGAGRTEMMRALFGVDRLDTGEIWIAGKKTAIKNPQEAVKKGLGFITENRKDEGLLLDTSIRENIALPNLSSFSPKGLIDHKREAEFVDLLIKRL--TIKTASPETHARHLSGGNQQKVVIAKWIGIGPKVLILDEPTRGVDVGAKREIYTLMNELTERGVAIIMVSSELPEILGMSDRIIVVHEGRISGEIHAREATQERIMTLATGGR 4F4C Chain:A ((415-1305)) -DITVENVHFTYPSRPDVPILRGMNLRVNAGQTVALVGSSGCGKSTIISLLLRYYDVLKGKITIDGVDVRDINL-EFLRKNVAVVSQEPALFNC-TIEENISLGKEGITREE-MVAACKMANAEKFIKTLPNGYNTLVGDRGTQLSGGQKQRIAIARALVRNPKILLLDEATSALDAESEGIVQQALDKAA-KGRTTIIIAHRLSTIR-NADLIISCKNGQVVEVGDHRALMAQQGLYYDLVTAQTFTDAVDSAAEGERIGKDALSRLKQELEENNAQKTNLFEILYHARPHALSLFIGMSTATIGGFIYPTYSVFFTSFMNVFAGNPADFLSQGHFWALMFLVLAAAQGICSFLMTFFMGIASESLTRDLRNKLFRNVLSQHIGFFDSPQNASGKISTRLATDVPNLRTAIDFRFSTVITTLVSMVAGIGLAFFYGWQMALLIIAILPIVAFGQYLRGRRFTGKNVKSASEFADSGKIAIEAIENVRTVQALAREDTFYENFCEKLDIPHKEAIKEAFIQGLSYGCASSVLYLLNTCAYRMGLALIITDPPTMQPMRVLRVMYAITISTSTLGFATSYFPEYAKATFAGGIIFGMLRKISKIDSLSLAGEKKKLYGKVIFKNVRFAYPERPEIEILKGLSFSVEPGQTLALVGPSGCGKSTVVALLERFYDTLGGEIFIDGSEIKTLN-PEHTRSQIAIVSQEPT---LF-DCSIAENIIYGLDPSSVTMAQVEEAARLANIHNFIAELPEGFE-TRVGDRGTQLSGGQKQRIAIARALVRNPKILLLDEATSALDTESEKVVQEALDRAR-EGRTCIVIAHRLNTVM-NADCIAVVSNGTIIEKGTHTQLMSE----------

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 : 1753 72433 41.32 154.44 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : 41.32 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.408

(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: