Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKPNVAIIVAALKPALGIGYKGKMPWRLRKEIRYFKDVTTRTTKPNTRNAVIMGRKTWESIPQKFRPLPDRLNIILSRSYENKI--IDDNIIHASSIESSLNLVS-------DVERVFIIGGAEIYNELINNSLVSHLLITEIEHPS-PESIEMDTFLKFPLESWTKQPKS---ELQKFVGDTV--LED--------------DIKEGDFTYNYTLWTRK
3CSE Chain:A ((3-217))
--KVPVVGIVAALLPEMGIGFQGNLPWRLAKEMKYFREVTTLTNDNSKQNVVIMGRKTWESIPQKFRPLPKRINVVVSRSFDGELRKVEDGIYHSNSLRNCLTALQSSLANENKIERIYIIGGGEIYRQSM--DLADHWLITKIMPLPETTIPQMDTFL--QKQELEQRFYDNSDKLVDFLPSSIQLEGRLTSQEWNGELVKGLPVQEKGYQFYFTLYTKK
General information:
TITO was launched using:
RESULT:
Template:
3CSE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -139802 for 1392 contacts (-100.4/contact) +
2D Compatibility (PS) -19697 + (NN) -3269 + (LL) 216
1D Compatibility (HY) -21200 + (ID) 4050
Total energy: -187802.0 ( -134.92 by residue)
QMean score : 0.668
(partial model without unconserved sides chains):
PDB file :
Tito_3CSE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3CSE-query.scw
PDB file :
Tito_Scwrl_3CSE.pdb
: