Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MVLQDFDNLLKKYAQLIISKGLNVQKGHTLALTIDVEQVHLARLLTEAAYEKGASEVIVDYTDDFITRQRLLHASDEVLTNVPQYTVDKSLALLNKKASRLVVKSSNPNAFATVDPKRLSETTRATAIALEEQSRAIQANKVSWNVAAAAGREWAALVFPELKTSDQQVDALWDTIFKLNRIYEDDPIAAWDAHEAKLLEKATRLNQEQFDALHYTAPGTDLTLGMPKNHIWEAAGSLNAQGETFIANMPTEEIFSAPDYRRADGYVTSTKPLSYAGVIIENMTFTFKDGKIINVTAEKGQETVQRLIEENDGARSLGEVALVPHKTPISLSGLIFFNTLFDENASNHLAIGSAYAFNVEGGTEMTSQELDEAGLNRSSTHVDFMI-GSEQMDIDGIRADGTAVPIFRNGEWAI |
1FIU Chain:A ((1-286)) | ------------------------------------------------------------MQPLFTQERRIFHKKLLDGN---------------------ILATNNRGVVSNADGSNTRSFNIAKGIADLLHSETVSERLP----GQTSGNAFEAICSEFVQSAFEKLQHIRPGDWNVKQVGSRNRLEIARYQQYAHLTALAKAAEE--NPELAAALGSDYTI---TPDIIVTRNLIADAEINRNEFLVDENIATYASLRAGNG----NMPLLHASISCKW--------TIRSDRAQNARSEGLNLVRNRKG-RLPHIVVVTAEPTPSRISSIAL----------GTGEIDCVYHF----ALYELEQILQSLNYEDALDLFYIMVNGKRLKDISDLPLD-----------LAV |
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General information:
TITO was launched using:
| RESULT:
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Template: 1FIU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -9006 for 2249 contacts (-4.0/contact) +
2D Compatibility (PS) -29705 + (NN) -5025 + (LL) 9256
1D Compatibility (HY) -8400 + (ID) 2250
Total energy: -45130.0 ( -20.07 by residue)
QMean score : 0.225
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