Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MDTVLGLSITPTTLGWVLAEGHGADGAILDRNELELHSGRNAQAIHTAEQLAAEVLLAHEVAAAGDHRLRVIGVTWNAEASAQAALLVESLTGAGFDNVVPVRRLRAIETLAQAIAP--VIGYEQIAVCVLEHESATVVMVDTHDGKTQIA---VKHVCRGL-------------------------------------------------------------------------------SGLTSWLTGMFGRD---AWRPAGVVVVGSDSEVSEFSWQLERVL-PVPVFAQTMAQVTVARGAALAAAQSTEFTDAQLVADSVSQPTVAPRRSRHYAGAAAALAAAAVTFVASLSLAVGIQLAPHNDTGTAKHGAHKPTPRIAKAVAPAVPPPPTVTPPVPARAPRPAAQHEPPARVTSGEALTEPNPPEEQPNASAPQQDRNDSQPITRVLEHIPGAYGDSAPPAE |
| 3I33 Chain:A ((163-401)) | ---------------------------------------------------------------------ITVPAYFNDSQR-Q--ATKDAGTITGLNVLRIINEPTAAAIAYGLDKKGCAGGEKNVLIFDLGGGTFDVSILTIEDGIFEVKSTAGDTHLGGEDFDNRMVSHLAEEFKRKHKKDIGPNKRAVRRLRTACERAKRTLSSSTQASIEIDSLYEGVDFYTSITRARFEELNADLFRGTLEPVEKALRDAKLDKGQIQEIVLVGGSTRIPKIQKLLQDFFNGKELNKSINPDEAVAYGAAVQAAIL------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3I33.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -109106 for 1148 contacts (-95.0/contact) +
2D Compatibility (PS) -16306 + (NN) -6270 + (LL) 12928
1D Compatibility (HY) 0 + (ID) 1150
Total energy: -119904.0 ( -104.45 by residue)
QMean score : 0.434
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