Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKITAPRIPDGDLTVYPNDTYFIEDIGEVSEQIFRKTTLTGEIFEHFHLETIIFDGCVFDSVSLVSANLTDVVFKNCDLSNLDLMGAIIHRVRFENCKLI-----GMNFSDATLRNCVFVDCYAD------------YVAFRYANLKWVAFEAGAYTNSDFSGAQLVDTYLERL--------DLNKAQFLNCALNGIDLSSCIFESITAMPQDLKGMSI-DFSHAPALMPLFGIRVK
3DU1 Chain:X ((42-231))
----------------------------------LRQTRLGKSNFSHTCLREADLSEAILWGIDLSEADLYRAILREADLT-----GAKLVKTRLEEANLIKASLCGANLNSANLSRCLLFQ--ADLRPSSNQRTDLGYVLLTGADLSYADLRAASLHHANLDGAKLCRANFGRTIQWGNLAADLSGASLQGADLSYANLESAILRKANLQGADLTGAILKDAELKGAIMP-------
General information:
TITO was launched using:
RESULT:
Template:
3DU1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -216609 for 1423 contacts (-152.2/contact) +
2D Compatibility (PS) -15917 + (NN) 7473 + (LL) 3136
1D Compatibility (HY) -8000 + (ID) 2350
Total energy: -232267.0 ( -163.22 by residue)
QMean score : 0.271
(partial model without unconserved sides chains):
PDB file :
Tito_3DU1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3DU1-query.scw
PDB file :
Tito_Scwrl_3DU1.pdb
: