Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIQISRDMSSLGQTATTQALPDNSDGIQLTKFAADDILPLEYAPPIGPELVSQDQLPAAWAYKRFRDLDDKESYRRKLLQELTDALAAQGSEAAEIATAALRDLIDQMAEQGAVVLADIVESDDFLELVKRYDELMAREGSRSF-IHRFL--DLRRSPGML-TDPAVN-GALVHPLMIALISYAVGG--PIRMIDARGKDAEPLSVLAQDNMLHIDNTPFN--------DEYKILITWRRGTAQGPAGQNFTFLPGTHKLARTCFVNEDGVPWSSENASIFTTPDSIRKVFDAQRQLGGQDHPTVIEVTDSERPLSGVFAAGSLVHHRFRTASGSARSCIILVFHRVADNPGRMVSDVEDSSDVSLSELLTRGVPDESYQQRFIATLCAAADEIAELLLKWKKTPQRPVSLPLQTKQIDGARFEEWISAATKAPEVREIRNRELTIPYGEVLSAEEFFDLIWRLMRFDKHGPLDLILYHDNREEPRKWARNLIREMSADRLYERLLGWLADIQQPRPADCLRPLQIHALISEVLKTLPLDEDQDPPADWHFDLLGMSHAEAARSVKHLLEDVAEALLRCEDMAAYLSTSLFAFWAVDAAYSLDGRRNLVVKDCARRLLRHYTMLSLTCFQ |
4NAO Chain:A ((33-206)) | -----------------------------------------------------------------------------------------------------VEIHRAIVEDGVAIIEGFLTPEQVQKLNKDVDAPLKADREQ-FWLADFIPDHVARVHNLVDFSHCFRHEILNHELLHKICRLTFEESGDYWLGYGAVIENGPG---TTEQKWHRDQPRYPLVKEGPDAPEGMLN-FFTALTDFDAETGKTQYILGSNKRVE-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4NAO.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -23572 for 798 contacts (-29.5/contact) +
2D Compatibility (PS) -14592 + (NN) 865 + (LL) 34888
1D Compatibility (HY) -7200 + (ID) 900
Total energy: -10511.0 ( -13.17 by residue)
QMean score : 0.202
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