Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSISSPRINVMLDSVRSASKQLMRDFNELQISNVKSA--DFINKTYSRSKQTIYNCLHDYKQDYGFIFEDDIDQEAKEKDYTWFIMPIEGRENFSSRMVYFAVSVCLVHKNKVVAAVVNTPALRETFWAEEKKGAFLEDFRSRHIKMRMKSHE-----GSLIDVSGNLLNKLLPGNSNIRSVGSTVLGFTYLAAGRYSGIVYSGVNKYKALLGRLLLQESAGRLTEDNGFIIAGDVKLT
2P3N Chain:A ((3-221))
------RLDFSIKLLRKVGHLLMIHWGRVDNVEKKTGFKDIVTEIDREAQRMIVDEIRKFFPDENIMAEEGIFEKG---DRLWIIDPIDGTINFVHGLPNFSISLAYVENGEVKLGVVHAPALNETLYAEEGSGAFFNGERIR-VSENASLEECVGSTGSYVDFTGKFIERMEKRTRRIRILGSAALNAAYVGAGRVDFFVTWRINPWDIAAGLIIVKEAGGMVTDFSGKEANAFSKNF
General information:
TITO was launched using:
RESULT:
Template:
2P3N.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -129835 for 1753 contacts (-74.1/contact) +
2D Compatibility (PS) -22449 + (NN) -3584 + (LL) 464
1D Compatibility (HY) -14000 + (ID) 2900
Total energy: -172304.0 ( -98.29 by residue)
QMean score : 0.440
(partial model without unconserved sides chains):
PDB file :
Tito_2P3N.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2P3N-query.scw
PDB file :
Tito_Scwrl_2P3N.pdb
: