Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRMQTKLIHGGINEDATTGAVSVPIYQTSTYRQDAIGRHKGYEYSRSGNPTRFALEELIADLEGGVKGFAFASGLAGIHAVFSLLQSGDHVLLGDDVYGGNFRLFNKVLVKNGLSCTIIDTSDLSQIKKAIKPNTKALYLETPSNPLLKITDLAQCASVAKEHNLLTIVDNTFATPYCQNPLLLGTDIVAHNGTKYLGGHSDVVAGLVTTNNEALAQEFDFFQNAIGGVLGLQDSWLLQRGIKTLGLRMEAHQKNALCVAEFLEKHPKVERVYYPGLPTHPNHELAKAQMRGFSGMFSFTLKNDSEAVAFVESLKLFILGESLGGVESLVGIPALMTHACIPKAQREAAGIRDGLVRLSVGIEHEQDLLEDLDQAFAKIS |
4L0O Chain:H ((1-379)) | MRMQTKLIHGGISEDATTGAVSVPIYQTSTYRQD------GYEYSRSGNPTRFALEELIADLEGGVKGFAFASGLAGIHAVFSLLQSGDHVLLGDDVYGGTFRLFNQVLVKNGLSCTIIDTSDISQIKKAIKPNTKALYLETPSNPLLKITDLAQCASVAKDHGLLTIVDNTFATPYYQNPLLLGADIVAHSGTKYLGGHSDVVAGLVTTNNEALAQEIAFFQNAIGGVLGPQDSWLLQRGIKTLGLRMEAHQKNALCVAEFLEKHPKVERVYYPGLPTHPNYELAKKQMRGFSGMLSFTLKNDSEAVAFVESLKLFILGESLGGVESLVGIPAFMTHACIPKTQREAAGIRDGLVRLSVGIEHEQDLLEDLEQAFAKI- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4L0O.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -207652 for 3355 contacts (-61.9/contact) +
2D Compatibility (PS) -41885 + (NN) -29591 + (LL) 356
1D Compatibility (HY) -51600 + (ID) 17750
Total energy: -348122.0 ( -103.76 by residue)
QMean score : 0.533
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