Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MVLQDFDNLLKKYAQLIISKGLNVQKGHTLALTIDVEQVHLARLLTEAAYEKGASEVIVDYTDDFITRQRLLHASDEVLTNVPQYTVDKSLALLNKKASRLVVKSSNPNAFATVD--------PKRLSETTRATAIALEEQSRAIQA-----------NKVSWNVAAAAGRE-WAALVFPELKTSDQQVDALWDTIFKLNRIYEDDPIAAWDAHEAKLLE---KATRLNQEQFDALHYTAPGTDLTLGMPKNHIWEAAGSLNAQGETFIANMPTEEIFS-APDYRRADGYVTSTKPLSYAGVIIENMTFTFKDGKIINVTAEKGQETVQRLIEENDGARSLGEVALVPHKTPISLSGLIFFNTLFDENASNHLAIGSAYAFNVEGGTEMTSQ--ELDEAG--LNRSSTHVDFM-IGSEQMDIDGIRADGTAVPIFRNGEWAI |
| 3NO2 Chain:A ((3-276)) | ------------------------------------------------------------------------------------------------SPQHLLVGGSGWNKIAIINKDTKEIVWEYPLEKGWECNSVAATKAGEILFSYSKGAKMITRDGRELWNIAAPAGCEMQTARILPD-----------------------GNALVAWCGHPSTILEVNMKGEVLSKTEFET------------GIERPHAQFRQINKNKKGNYLVPLFATSEVREIAPNGQLLNSVKLSGTPFSSAFLDNGDCLVACGDAHCF-VQLNLESNRIVRRVNAND----------------IEGVQLFFVAQLFPLQ-NGGLYICNWQGHDREAGKGKHPQLVEIDSEGKVVWQLNDKVKFGMIS----TICPIRE--------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NO2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -28142 for 1918 contacts (-14.7/contact) +
2D Compatibility (PS) -24893 + (NN) 3531 + (LL) 12908
1D Compatibility (HY) -12000 + (ID) 3000
Total energy: -51596.0 ( -26.90 by residue)
QMean score : 0.216
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