Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKITAPRIPDGDLTVYPNDTYFIEDIGEVSEQIFRKTTLTGEIFEHFHLETIIFDGCVF------DSVSLVSANLTDVVFKNCDLSNLDLMGAIIHRVRFENCKLIGMNFSDATLRNCVFVD---CYADYVA--FRYANLKWVAFEAGAYTNSDFSGAQLVDTYLERLDLNKAQF-----LNCALNGIDLSSCIFESITAMPQDLKGMSIDFSHAPALMPLFGIRVK
3PSS Chain:A ((22-214))
----------------------------------FQGCRFIGCNFSWLDLAECRFVDCSFYDRESEQSCLLQGCDLREASFLRCDLTMADCSRSQCLGLELRDCQALGINFSRASFANQITV-SYFCEAHLTGNNFSYANFEGCLLEQCELSGNRWQGANLFGASLAGSDLSGSEFGQIDWASVNLQGCDLRQCDLPGLDLRRVNLDGVQINEDQQQALLEQIGLIV-
General information:
TITO was launched using:
RESULT:
Template:
3PSS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -201060 for 1393 contacts (-144.3/contact) +
2D Compatibility (PS) -18015 + (NN) 5435 + (LL) 1876
1D Compatibility (HY) -13200 + (ID) 2450
Total energy: -227414.0 ( -163.25 by residue)
QMean score : 0.216
(partial model without unconserved sides chains):
PDB file :
Tito_3PSS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PSS-query.scw
PDB file :
Tito_Scwrl_3PSS.pdb
: