Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGMDQQPNPPDVDAFLDSTLVGDDPALAAALAASD-AAELPRIAVSAQQGKFLCLLAGAIQARRVLEIGTLGGFSTIWLARGAGP-QGRVVTLEYQPKHAEVARVNLQRAGVADRVEVVVGPALDTLPTLAGGPFDLVFIDADKENNVAYIQWAI--RLARRGAVIVVDNVIRGGGILAESD------------DADAVAARRTLQMMGEHPGLDATAIQTVGRKGWDGFALALVR
4YMH Chain:A ((12-234))
-------TADRVSAYCEKNSHGIPDALVEHWEWTRTRFPDADKMSSRLQGSWMIFTARDRKPKRILEIGCYSGYSALAWYEGTRDTKAEIVTLEYSPKMIAASREAFKKYGVGDRVKLIEGPAENTLK-TLEGEFDLIFVDANKDGYAGYVKTILDQGLLSANGIILCDNVFARGLTIGPDCAPWLNDHVRPYWNGCGQALDKFSAGLMEDPRIDVLLLPVF-----DGVTQIRWK
General information:
TITO was launched using:
RESULT:
Template:
4YMH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -133535 for 1671 contacts (-79.9/contact) +
2D Compatibility (PS) -22659 + (NN) -11247 + (LL) 296
1D Compatibility (HY) -10800 + (ID) 2800
Total energy: -180745.0 ( -108.17 by residue)
QMean score : 0.445
(partial model without unconserved sides chains):
PDB file :
Tito_4YMH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4YMH-query.scw
PDB file :
Tito_Scwrl_4YMH.pdb
: