Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MRMQTKLIHGGINEDATTGAVSVPIYQTSTYRQDAI--------GRHKGYEYSRSGNPTRFALEELIADLEGGVKGFAFASGLAGIHA-VFSLLQSGDHVLLGDDVYGGNFRLFNKVLVKNGLSCTIIDTSDLSQIKKAIKPNTKALYLETPSNPLLKITDLAQ-CASVAKEHNLLTIVDNTFATPYCQNPLLLGTDIVAHNGTKYLGGHSDVVAGLVTTNNEALAQ-EFDFFQNAIGGVLGLQDSWLLQRGIKTLGLRMEAHQKNALCVAEFLEKHPKVERVYYPGLPTHPNHELAKAQMRGFSGMFSFTLKNDSE-AVAFVESLKLFILGESLGGVESLVGIPALMTHACIPKAQREAAGIRDGLVRLSVGIEHEQDLLEDLDQAFAKIS |
| 1E5E Chain:A ((6-392)) | MTPATACIHANPQKD-QFGAAIPPIYQTSTFVFDNCQQGGNRFAGQESGYIYTRLGNPTVSNLEGKIAFLEKTEACVATSSGMGAIAATVLTILKAGDHLISDECLYGCTHALFEHALTKFGIQVDFINTAIPGEVKKHMKPNTKIVYFETPANPTLKIIDMERVCKDAHSQEGVLVIADNTFCSPMITNPVDFGVDVVVHSATKYINGHTDVVAGLICGKADLLQQIRMVGIKDITGSVISPHDAWLITRGLSTLNIRMKAESENAMKVAEYLKSHPAVEKVYYPGFEDHEGHDIAKKQMRMYGSMITFILKSGFEGAKKLLDNLKLITLAVSLGGCESLIQHPASMTHAVVPKEEREAAGITDGMIRLSVGIEDADELIADFKQGLDALL |
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General information:
TITO was launched using:
| RESULT:
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Template: 1E5E.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -193321 for 3328 contacts (-58.1/contact) +
2D Compatibility (PS) -41717 + (NN) -27398 + (LL) 144
1D Compatibility (HY) -32400 + (ID) 8450
Total energy: -303142.0 ( -91.09 by residue)
QMean score : 0.526
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