Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MATPPYPEDEHSRQAYVDQLGLLEEGADEVFEEILAAATSYFQTPIALISILDHQRQWFRASIGLDIRQTPRRDSFCAYAILGKGVFEVADATLDPRFRDNPYVQGEPRIRFYAGAPLATAEGLNLGSLCVIDREPRGPLAERDVAMLEHFARLVMARIHTLRSTNYIDEPTGLYNRLRLQEDVSLRLQRDGALTVIAADLLPLALLNTIIRTLGYPFSNDLMLEARDRIRAELPDFTLYKISPTRFGLLLPRQQQEETESVCLRLLRAFESPVVCRGIPIKANVGLGVLPLADDTLDGDQDWLRLVVSAADDARDRGVGWARYNPPLDQAQQRAFTLLTSLSQAIGTEEGFHLVYQPKIDLPTGRCTGVEALLRWRHPQLGFVSPAEFVPLAEKTALMRPLSDWVLRHAMAQLAQWNARNIPLRLAINVSASDMEDSSFLEEAVRLAKTYDIDLSALELEFTESVLIRDASAVGSVLLRARELGMGIAVDDFGTGYSNWTYLRDLPITAIKLDQSFTRDLAGSPKAQSVTQAVIGLASQLGYRVVAEGIETHDTFHLLQAWGCHEGQGYLIAQPMLPEQLEDWLRR |
3GG1 Chain:A ((279-396)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------IEVTETEVITCFDQFRKVLKALRVAGMKLAIDDFGAGYSGLSLLTRFQPDKIKVDAELVRDIHISGTKQAIVASVVRCCEDLGITVVAEGVETLEEWCWLQSVGIRLFQGFLFSRPCL---------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3GG1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -60962 for 857 contacts (-71.1/contact) +
2D Compatibility (PS) -12444 + (NN) -5280 + (LL) 34284
1D Compatibility (HY) -14000 + (ID) 2150
Total energy: -60552.0 ( -70.66 by residue)
QMean score : 0.439
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