Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | ------------------------------------------------------------------------------------------------------------------------------------------------------------MIILQGNKIERSFSGDVLFDNINIQVDQRDRIALVGRNGAGKSTLLKILVGEETPTKGEINKKRDLSLSYLAQDSRFQSENTIFQEMLQVFDSLREVEKRLRELELQMGQVSGSDLEQLMKTYDILSEEFREKGGFTYESDIKAILNGFKFNSDMWEMPISELSGGQNTRLALAKMLLEKPELLVLDEPTNHLDIDTIAWLENYLVNYQGALIIVSHDRYFLDKVATVTYDLTTHSLDRYVGNYSKFMDLKAEKIATEEKNFEKQQKEIAKLEDFVQRNIVRASTTKRAQARRKQLEKMERLDKPNVEQKSANMTFHAGKVSGNVVLTLENAAIGYE---GVSLSELIDLDVKKFDAIAIVGPNGIGKSTLIKSLVGQIPFIKGEAKLGANVETGYYDQSQSNLTKTNTVLDELWNAFSTTPEVEIRNRLGAFLFSGDDVKKLVSM------------------------LSGGERARLLLAKLSMENNNFLILDEPTNHLDIDSKEVLENALIEFDG--TLLFVSHDRYFINRVATKVLEISDKGSTLYLGDYDYYLTKKAELEELARLNEEEVSASKTEIDVTSDYETQKANQKEFRKITRRIAEIEVRLEVLENNENNINGLMLETNDIGKLSDLQKELESIQEEQLLLMEEWENLNMRLDL--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
4F4C Chain:A ((4-1306)) | NGSLRQSLRTLDSFSLAPEDVLKTAIKTVEDYEGDNIDSNGEIKITRDEVVNKVSIPQLYRYTTTLEKLLLFIGTLVAVITGAGLPLMSILQGKVSQAFINEQIVINNNGSTFLPTGQNYTKTDFEHDVMNVVWSYAAMTVGMWAAGQITVTCYLYVAEQMNNRLRREFVKSIL----------RQEISWFDTNHSG--TLATKLFDNLERVKEGTGDKIGMAFQYLSQ--FITGFIVAFTHSWQLTLVMLAV--------TPIQALCGFAIAKSMSTFAIRETLRYAKAGKVVEETISSIRTVVSLN-------------GLRYELERYSTAVEEAKKAGVLK-GLFLGISFGAMQASNFISFALAFYIGVGWVH----------DGSLNFGDMLTTFSSVMMGSMALGLAGPQLAVLGTAQGAASGIYEV-------------------------LDRKPVIDSSSKAGRKDMKIKGD--ITVENVHFTYPSRPDVPILRGMNLRVNAGQTVALVGSSGCGKSTIISLLLRYYDVLKGKITID---GVDVRDINLEFLRKNVAVVSQEPALFNCTIEENIS--LGKEGITREEMVAACKMANAEKFIKTLPNGYNTLVGDRGTQLSGGQKQRIAIARALVRNPKILLLDEATSALDAESEGIVQQALDKAAKGRTTIIIAHRLSTI-RNADLIISCKN-GQVVEVGDHRALMAQQGLYYDLVTAQTFTDAVDSAA-------EGERIGKDALSRLKQELEE---------NNAQKTNLFEILYHARPHALSLFIGMSTATIGGFIYPTYSVFFTSFMNVFAGNPADFLSQGHFWALMFLVLAAAQGICSFLMTFFMGIASESLTRDLRNKLFRNVLSQHIGFFDSPQNASGKISTRLATDVPNLRTAIDFRFSTVITTLVSMVAGIGLAFFYGWQMALLIIAILPIVAFGQYLRGRRFTGKNVKSASEFADSGKIAIEAIENVRTVQALAREDTFYENFCEKLDIPHKEAIKEAFIQGLSYGCASSVLYLLNTCAYRMGLALIITDPPTMQPMRVLRVMYAITISTSTLGFATSYFPEYAKATFAGGIIFGMLRKISKIDSLSLAGEKKKLYGKVIFKNVRFAYPERPEIEILKGLSFSVEPGQTLALVGPSGCGKSTVVALLERFYDTLGGEIFIDGSEIKTLNPEHTRSQIAIVSQEPTLFDCSIAENIIYGLDPSSVTMAQVEEAARLANIHNFIAELPEGFETRVGDRGTQLSGGQKQRIAIARALVRNPKILLLDEATSALDTESEKVVQEALDRAREGRTCIVIAHRLNTVMNADCIAVVSNGTIIEKGTHTQLMSEK |
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General information:
TITO was launched using:
| RESULT:
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Template: 4F4C.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -18671 for 3683 contacts (-5.1/contact) +
2D Compatibility (PS) -58119 + (NN) -21703 + (LL) 8012
1D Compatibility (HY) -22400 + (ID) 5650
Total energy: -118531.0 ( -32.18 by residue)
QMean score : 0.309
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