Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAKPLTDQEKRRQISIRGIVGVENVAELKKGFNRHLHFTLVKDRNVATPRDYYFALAHTVRDHLVGRWIRTQQHYYDKCPKRVYYLSLEFYMGRTLQNTMINLGLQNACDEAIYQLGLDMEELEEIEEDAGLGNGGLGRLAACFLDSMATLGLAAYGYGIRYEYGIFNQKIREGWQVEEADDWLRHGNPWEKARPEFMLPVHFYGRVEHTQTGTKWVDTQVVLALPYDTPVPGYMNNTVNTMRLWSARAPNDFNLQDFNVGDYIQAVLDRNLAENISRVLYPNDNFFEGKELRLKQEYFVVAATLQDVIRRFKASKFGSKDGMGTVFDAFPDQVAIQLNDTHPALAIPELMRIFVDIEKLPWAKAWEITKKTFAYTNHTVLPEALERWPVELVEKLLPRHLEIIYEINQKHLDRIVALFPKDISRMRRMSLIEEEGGKRINMAHLCIVGCHAVNGVAKIHSDIVKTQVFKDFSELEPDKFQNKTNGITPRRWLLLCNPGLADLIAEKIGEDYVKDLSQLTKLHSFVSDDIFLREIAKVKQENKLKFSQFLEKEYKVKINPSSMFDVHVKRIHEYKRQLLNCLHVITMYNRIKKDPKKFFVPRTVIIGGKAAPGYHMAKMIIKLITSVAEVVNNDPMVGSKLKVIFLENYRVSLAEKVIPATDLSEQISTAGTEASGTGNMKFMLNGALTIGTMDGANVEMAEEAGEENLFIFGMRVDDVAALDKKGYEAKEYYEALPELKLVIDQIDNGFFSPNQPDLFKDIINMLFYHDRFKVFADYEAYVKCQEKVSQLYMNQKAWNTMVLKNIAASGKFSSDRTIKEYAKDIWNMEPSDLKISLSNESSNGVSANGK |
3BD7 Chain:A ((12-836)) | ------------QISVRGLAGVENVTELKKNFNRHLHFTLVKDRNVATPRDYYFALAHTVRDHLVGRWIRTQQHYYEKDPKRIYYLSLEFYMGRTLQNTMVNLALENACDEATYQLGLDMEELEEIEEDAGLGNGGLGRLAACFLDSMATLGLAAYGYGIRYEFGIFNQKICGGWQMEEADDWLRYGNPWEKARPEFTLPVHFYGRVEHTSQGAKWVDTQVVLAMPYDTPVPGYRNNVVNTMRLWSAKAPNDFNL------GYIQAVLDRNLAENISRVLYPNDNFFEGKELRLKQEYFVVAATLQDIIRRFKSS---------TNFDAFPDKVAIQLNDTHPSLAIPELMRVLVDLERLDWDKAWEVTVKTCAYTNHTVLPEALERWPVHLLETLLPRHLQIIYEINQRFLNRVAAAFPGDVDRLRRMSLVEEGAVKRINMAHLCIAGSHAVNGVARIHSEILKKTIFKDFYELEPHKFQNKTNGITPRRWLVLCNPGLAEIIAERIGEEYISDLDQLRKLLSYVDDEAFIRDVAKVKQENKLKFAAYLEREYKVHINPNSLFDVQVKRIHEYKRQLLNCLHVITLYNRIKKEPNKFVVPRTVMIGGKAAPGYHMAKMIIKLITAIGDVVNHDPVVGDRLRVIFLENYRVSLAEKVIPAADLSEQISTAGTEASGTGNMKFMLNGALTIGTMDGANVEMAEEAGEENFFIFGMRVEDVDRLDQRGYNAQEYYDRIPELRQIIEQLSSGFFSPKQPDLFKDIVNMLMHHDRFKVFADYEEYVKCQERVSALYKNPREWTRMVIRNIATSGKFSSDRTIAQYAREIWGVEPSRQRLPA------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3BD7.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -412500 for 7292 contacts (-56.6/contact) +
2D Compatibility (PS) -86678 + (NN) -31372 + (LL) 688
1D Compatibility (HY) -110400 + (ID) 32800
Total energy: -673062.0 ( -92.30 by residue)
QMean score : 0.724
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