Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKKFLSLTLGSLLVSALSAEDNGFFVSAGYQIGESAQMVKNTKGIQDLSDSYERLNNLLTNYSVLNALIRQSADPNAINNARGNLNASAKNLINDKKNSPAYQAVLLALNAAAGLWQVMSYAISPCGPGKDTSKNGGVQTFHNTPSNQWGGTTITCGTTGYEPGPYSILSTENYAKINKAYQIIQKAFGSSGKDIPALSDTNTELKFTINKNNGNTNTNNNGEEIVTKNNAQVLLEQASTIITTLNSACPWINNGGAGGASSGSLWEGIYLKGDGSACGIFKNEISAIQDMIKNAAIAVEQSKIVAANAQNQRNLDTGKTFNPYKDANFAQSMFANAKAQAEILNRAQAVVKDFERIPAEFVKDSLGVCHEVQNGHLRGTPSGTVTDNTWGAGCAYVGETVTNLKDSIAHFGDQAERIHNARNLAYTLANFSSQYQKLGEHYDSITAAISSLPDAQSLQNVVSKKTNPNSPQGIQDNYYIDSNIHSQVQSRSQELGSNPFRRAGLIAASTTNNGAMNGIGFQVGYKQFFGKNKRWGARYYGFVDYNHTYNKSQF-FNASSDVWTYGVGSDLLVNFINDKATKHNKISFGAFGGIALAGTSWLNSQYVNLANVNNYYKAKINTANFQFLFNLGLRMNLARKKHRATDNAAQHGIELGTKIPTINTNYYSLLGTTLQYRRLYSVYLNYVFAY |
2X27 Chain:X ((44-175)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SDTQLGLTFTY--MFA--DKWGVELVAATPFNHQVDVKGLLDGKLADIKQLPPTLLLQYYPMGGT-----NSAFQPYGGLGVNYTTFFDEDLASNRK-AQGFSSMKLQDSWGLAGELGFDYMLN----------EHALFNMAVWYMDIDTKASINGPSALGVNKTKVDVDVDPWVY |
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General information:
TITO was launched using:
| RESULT:
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Template: 2X27.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -3723 for 839 contacts (-4.4/contact) +
2D Compatibility (PS) -12895 + (NN) 694 + (LL) 26520
1D Compatibility (HY) -8000 + (ID) 850
Total energy: 1746.0 ( 2.08 by residue)
QMean score : 0.012
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