Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLEKQHIQYFKNLVGGEDFFTD---LAHLNAYCYDATKERHLPSGVIFPKNEREISQILKYCNEHRLIVVPRGAGSGF-TGGALSVSGGLVLSVEKHLDKILEIDTKNLIARVEPGVINKHFQNEVEKLDLFYPPDPASENQSTLGGNVAENAG-GMRAAKYGITKDYVMALRVVLANGEIIRAGK---------KTIKDVAGFNIAGLMIASEGCLGVISEITLKLLAKPPLKQSAMGVFNHIEDAMNAVYKTMSSGVTPVAMEFLDNLSIKAVEERFSKGLPKDAGAILITQVDGVVKEQIAWQLNEIEKHFKANGCVGFKIAQNEQEEQDLWFSRRNASQSISVYGKKKLNEDVTVPRASLPSLLQEVAKISQKYGFKIPCFGHTGDGNVHVNIMLEDPKRDLEKGHKAMEEIFQAAISLEGTLSGEHGIGLSKAKFMPLAFNHSEMELFRNIKKALDPNNILNPFKMGL |
1WVF Chain:A ((21-243)) | ------VQKFRALLGDDNVLVESDQLVPYNKIMMPVENAAHAPSAAVTATTVEQVQGVVKICNEHKIPIWTISTGRNFGYGSAAPVQRGQVILDLKKMNKIIKIDPEMCYALVEPGVTFGQMYDYIQENNL--PVMLSFSAPSAIAGPVGNTMDRGVGYTPYGEHFMMQCGMEVVLANGDVYRTGMGGVPGSNTWQIFKWGYGPTLDGMF--TQANYGICTKMGFWLMPKPPVFKPFEVIFEDEADIVEIVDALRPLRMSNTIPNSVVIASTLWEAGSAHLTRAQYTTEPGHTPDSVIKQMQKDTGMGAWNLYAALYGTQEQVDVNWKIVTDVFKKLGKGRIVTQEEAGDTQPFKYRAQLMSGVPNLQEFGLYNWRGGGGSMWFAPVSEARGSECKKQAAMAKRVLHKYGLDYVAEFIVAPRDMHHVIDVLYDRTNPEETKRADACFNELLDEFEKEGYAVYRVNTRFQDRVA |
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General information:
TITO was launched using:
| RESULT:
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Template: 1WVF.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -62788 for 1668 contacts (-37.6/contact) +
2D Compatibility (PS) -22456 + (NN) -5759 + (LL) 1288
1D Compatibility (HY) -17600 + (ID) 2800
Total energy: -110115.0 ( -66.02 by residue)
QMean score : 0.332
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