Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAHAGRTGYDNREIVMKYIHYKLSQRGYEWDAGDVGAAPPGAAPAPGIFSSQPGHTPHPAASRDPVARTSPLQTPAAPGAAAGPALSPVPPVVHLTLRQAGDDFSRRYRRDFAEMSSQLHLTPFTARGRFATVVEELFRDGVNWGRIVAFFEFGGVMCVESVNREMSPLVDNIALWMTEYLNRHLHTWIQDNGGWDAFVELYGPSMRPLFDFSWLSLKTLLSLALVGACITLGAYLGHK
2W3L Chain:A ((1-144))
--------YDNREIVMKYIHYKLSQRGYEW---DA---SE---------------------------------------------------VVHKTLREAGDDFSRRYRRDFAEMSSGLHLTPFTARGRFATVVEELFRDGVNWGRIVAFFEFGGVMCVESVNREMSPLVDNIALWMTEYLNRHLHTWIQDNGGWDAFVELYGPSM---------------------------------
General information:
TITO was launched using:
RESULT:
Template:
2W3L.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -118467 for 1016 contacts (-116.6/contact) +
2D Compatibility (PS) -14931 + (NN) -4179 + (LL) 3488
1D Compatibility (HY) -21200 + (ID) 6750
Total energy: -162039.0 ( -159.49 by residue)
QMean score : 0.353
(partial model without unconserved sides chains):
PDB file :
Tito_2W3L.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2W3L-query.scw
PDB file :
Tito_Scwrl_2W3L.pdb
: