Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | --------------MDESPEPLQQGRGPVPVRRQRPAPRGLREML--------KARLWCSCSCSVLCVRALVQDLLPATRWLRQYRPREYLAGDVMSGL--------VIGIILVPQAIAYSLLAGLQPIYSLYTSFFANLIYFLMGTSRHVSVGIFSLLCLMVGQVVDRELQLAGFDPSQDGLQPGANSSTLNGSAAMLDCGRDCYAIRVATALT---LMTGLYQVLMGVLRLGFVSAYLSQPLLDGFAMGASVTILTSQLKHLLGVRIPRHQGPGMVVLTWLSLLRGAGQANVCDVVTSTVCLAVLLA--------AKELSDRYRHRLRVPLPTELLVIVVATLVSHFGQLHKRFGSSVAGDIPTGFMPPQVPEPRLMQRVALDAVALALV--AAAFSISLAEMFARSHGYSVRANQELLAVGCCNVLPAFLH--CFATSAALAKSLVKTATGCRTQLSSVVSATVVLLVLLALAP-LFHDLQRSVLACVIVVSLRGALRKVWDLPRLWRMSPADALVWAGTAATCMLVSTEAGLLAGVILSLLSLAGRTQRPRTALLARIGDTAFYEDATEFEGLVPEPGVRVFRFGGPLYYANKDFFLQSLYSLTGLDAGCMAARRKEGGSETGVGEGGPAQGEDLGPVSTRAALVPAAAGFHTVVIDCAPLLFLDAAG-------VSTLQDLRRDYGALGISLLLACCSPPVRDILSRGGFLGEGPGDTAEEEQLFLSVHDAVQTARARHRELEATDA--HL |
4UI9 Chain:O ((27-756)) | KDWVTPYKIAVLVLLSEMS---RTGEGAVSLVERRRLNQQLLPLLQGPDITVSKLLKLIEESCPQLANSVQIRIKLMAEGELKDMEQFFDDLSDSFSGTEPEVHKTSVVGLFLRHMILAYSKL-SFSQVFKLYTALQQ---YFQSDENKK------PLSQKQAEFFLSQQASLLKNDETK-ALTPASLQKELNNLLKFNPDFAEAHYLSYLNNLRVQDVFSSTHSLLHYFDRLILTGAESKSNGEEGYG-----RSLRYAALNLAALHC-RFGHYQQAELALQEAIRIAQESN--DHVCLQHCLSWLYVLGQKRSDSYVLLEHSVKKAVHFGLPY-LASLGIQSLVQQRAFAGKTANKLMDALKDSDLLHWKHSLSELIDISIAQKTAIWRLYGRSTMALQQAQMLLSMNSLEQQNNTESFAVALCHLAELHAEQGCFAAASEVLKHLKERFPPNSQHAQLWMLCDQKIQFDRAMNDGKYHLADSLVTGITALNSIEGVYRKAVVLQAQNQMSEAHKLLQKLLVHCQKLKNTE--MVISVLLSVAELYWRSSSPTIALPMLLQALALSKEYR-------------------LQYLASETVLNLAFAQLIL--------------------GIPEQALSLLHMAIEPILADGAILDKGRAMFLVAKCQVASAASYDQPKKAEALEAAIENLNEAKNYFAKVDCKERIRDVVYFQARLYHTLGKTQERNRCAMLFRQL-------HQELPSVPLINHL |
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General information:
TITO was launched using:
| RESULT:
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Template: 4UI9.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -350055 for 4772 contacts (-73.4/contact) +
2D Compatibility (PS) -65383 + (NN) -18101 + (LL) 3512
1D Compatibility (HY) -15200 + (ID) 6150
Total energy: -451377.0 ( -94.59 by residue)
QMean score : 0.274
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