Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKKFLSLTLGSLLVSALSAEDNGFFVSAGYQIGESAQMVKNTKGIQDLSDSYERLNNLLTNYSVLNALIRQSADPNAINNARGNLNASAKNLINDKKNSPAYQAVLLALNAAAGLWQVMSYAISPCGPGKDTSKNGGVQTFHNTPSNQWGGTTITCGTTGYEPGPYSILSTENYAKINKAYQIIQKAFGSSGKDIPALSDTNTELKFTINKNNGNTNTNNNGEEIVTKNNAQVLLEQASTIITTLNSACPWINNGGAGGASSGSLWEGIYLKGDGSACGIFKNEISAIQDMIKNAAIAVEQSKIVAANAQNQRNLDTGKTFNPYKDANFAQSMFANAKAQAEILNRAQAVVKDFERIPAEFVKDSLGVCHEVQNGHLRGTPSGTVTDNTWGAGCAYVGETVTNLKDSIAHFGDQAERIHNARNLAYTLANFSSQYQKLGEHYDSITAAISSLPDAQSLQNVVSKKTNPNSPQGIQDNYYIDSNIHSQVQSRSQELGSNPFRRAGLIAASTTNNGAMNGIGFQVGYKQFFGKNKRWGARYYGFVDYNHTYNKSQFFNASSDVWTYGVGSDLLVNFINDKATKHNKISFGAFGGIALAGTSWLNSQYVNLANVNNYYKAKINTANFQFLFNLGLRMNLARKKHRATDNAAQHGIELGTKIPTINTNYYSLLGTTLQYRRLYSVYLNYVFAY |
3QRA Chain:A ((26-141)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NPRGFNLKYRY--EFN--NDWGVIGSFAQTRRGFEESV---LIDGDFKYYSVTAGPVFRINE---------YVSLYGLLGAGHGKAKFSS-F---------GQSESRSKTSLAYGAGLQFNPH----------PNFVIDASYEYSKLDDVKVGTWMLGAGYRF------------ |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3QRA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -23001 for 713 contacts (-32.3/contact) +
2D Compatibility (PS) -11194 + (NN) -106 + (LL) 27944
1D Compatibility (HY) -1200 + (ID) 700
Total energy: -8257.0 ( -11.58 by residue)
QMean score : 0.074
|
|
|