Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAHAGRTGYDNREIVMKYIHYKLSQRGYEWDAGDVGAAPPGAAPAPGIFSSQPGHTPHPAASRDPVARTSPLQTPAAPGAAAGPALSPVPPVVHLTLRQAGDDFSRRYRRDFAEMSSQLHLTPFTARGRFATVVEELFRDGVNWGRIVAFFEFGGVMCVESVNREMSPLVDNIALWMTEYLNRHLHTWIQDNGGWDAFVELYGPSMRPLFDFSWLSLKTLLSLALVGACITLGAYLGHK
4AQ3 Chain:E ((13-165))
---------DNREIVMKYIHYKLSQRGYEWDA-----------------------------------------------------------VVHLALRQAGDDFSRRYRGDFAEMSSQLHLTPFTARGRFATVVEELFRDGVNWGRIVAFFEFGGVMCVESVNREMSPLVDNIALWMTEYLNRHLHTWIQDNGGWDAFVELYG------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
4AQ3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -111706 for 972 contacts (-114.9/contact) +
2D Compatibility (PS) -14150 + (NN) -1806 + (LL) 3388
1D Compatibility (HY) -21600 + (ID) 6650
Total energy: -152524.0 ( -156.92 by residue)
QMean score : 0.358
(partial model without unconserved sides chains):
PDB file :
Tito_4AQ3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4AQ3-query.scw
PDB file :
Tito_Scwrl_4AQ3.pdb
: