Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKTKTLFIFSAILTLSIFAPNETFAQTAGNLIEPKIINAETAQFSTKKLRKVDQMIERDIAAGFPGAVLVVVKDGRIIKKAAYGYSKKYEGSELLRRPAKMKTRTMFDLASNTKMYATNFALQRLVSQGKLDVYEKVSAYLPGFKDQPGDLIKGKDKIRVIDVLQHQSGLPSSFYFYTPEKAGKYYSQERDKTIEYLTKIPLDYQTGTKHVYSDIGYMLLGCIVEKLTGKPLDVYTEQELYKPLRLKHTLYNPLQKGFKPKQFAATERMGNTRDGVIQFPNIRT---N-TLQGEVHDEKAFYSMDGVSGHAGLFSNADDMAILLQVMLNKGSYRNISLFDQKTADLFTAPSAT-------DPTFALGWRRNGSKSMEWMFGPHASENAYGHTGWT---GTVTIIDPAYNLGIALLTNKKHTPVIDPEENPNVFEGDQFPTGSYGSVITAIYEAME |
2DRW Chain:A ((5-359)) | ------------------------------------------------NNAIQGILDDHVARGVVGVSLALCLPGEETSLYQSGYADK-------FNKMPMTGDHLFRIASCTKSFI-ATGLHLLVQDGTVDLDEPITRWFPDLPK--------AAQMPVRILLNHRSGLPDFETSMPMIS---DKSWTAQEIVDFSFRHGVQKEPWHGMEYSNTGYVLAGMIIAHETGKPYSDHLRSRIFAPLGMKDTWVGTHETFP-IEREARGYMHAAADDEN---PQWDVSGAGDPVDGVW-DSTEWFPLSGANAAGDMVSTPRDIVKFLNALFDG------RILDQKRLWEMKDNIKPAFFPGSNTVANGHGLLLMRY----------GSSELKGHLGQIPGHTSIMGRDEETGAALMLIQNSGAGDFESF------------YLKGVNEPVDRVLEAIK |
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General information:
TITO was launched using:
| RESULT:
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Template: 2DRW.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -120349 for 3144 contacts (-38.3/contact) +
2D Compatibility (PS) -36421 + (NN) -16759 + (LL) 6260
1D Compatibility (HY) -12000 + (ID) 3300
Total energy: -182569.0 ( -58.07 by residue)
QMean score : 0.456
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