Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKEVVVIGGGIVGLSCAYSMHKL-GH-KVCVIEKSDGTNGTSFGNAGLISAFKKAPLSCPGVVLDTLKLMLKNQAPLKFHFGLNLKLYQWILKFMTSANAKSTHRTIALFERYGWLSIDMYHQML-KDGMDFWYKEDGLLMIYTLEESFEKKLKTC---D-NSGAYKILNVKETKEYMPIAND------NICGSVLLTENAHVDPGEVVRSLQQYLQNAGVEFLYNEEVIDFEFKNNLIEGVITHKEKIQAETIILATGANP-TLIKKTKNDFLMMGAKGYSITFKMPEELKPKTSSL-FA-DIFMAMTPRRD-TVRITSKLELN-TNNALIDKEQIANMKKNLAAFTQPF-EMKDAIEWCGFRPLTPNDIPYLGYDKRYKNLIHATGLGWLGITFGPAIGKIIANLSQDGANEKNADIMLFSAFFRD |
2GAG Chain:B ((20-390)) | KSYDAIIVGGGGHGLATAYFLAKNHGITNVAVLEKGWLAGGNMARNTTIIRSNYLW-----D-----------------------------------------------ESAGIYEKSLKLWEQLPEDLEYDFLFSQRGVLNLAHTLGDVRESVRRVEANKLNGVDAEWLDPSQVKEACPIINTSDDIRYPVMGATWQPRAGIAKHDHVAWAFARKANEMGVDIIQNCEVTGFIKDGEKVTGVKTTRGTIHAGKVALAGAGHSSVLAEMAGFELPIQSHPLQALVSELF---EPVHPTVVMSNHIHVYVSQAHKGELVMGAGIDSYNGYGQRGAFHVIQEQMAAAVELFPIFARAHVLRTWGGIVDTTMDASPIISKTP-IQNLYVNCGWGTGGFKGTPGAGFTLAHTIANDEPHELNKPFSLERFETG |
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General information:
TITO was launched using:
| RESULT:
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Template: 2GAG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -201265 for 3191 contacts (-63.1/contact) +
2D Compatibility (PS) -37210 + (NN) -3592 + (LL) 4756
1D Compatibility (HY) -6400 + (ID) 3100
Total energy: -246811.0 ( -77.35 by residue)
QMean score : 0.497
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