Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAHAGRTGYDNREIVMKYIHYKLSQRGYEWDAGDVGAAPPGAAPAPGIFSSQPGHTPHPAASRDPVARTSPLQTPAAPGAAAGPALSPVPPVVHLTLRQAGDDFSRRYRRDFAEMSSQLHLTPFTARGRFATVVEELFRDGVNWGRIVAFFEFGGVMCVESVNREMSPLVDNIALWMTEYLNRHLHTWIQDNGGWDAFVELYGPSMRPLFDFSWLSLKTLLSLALVGACITLGAYLGHK
4AQ3 Chain:A ((12-165))
--------YDNREIVMKYIHYKLSQRGYEWD------------------------------------------------------------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) -117706 for 973 contacts (-121.0/contact) +
2D Compatibility (PS) -14163 + (NN) -1706 + (LL) 3440
1D Compatibility (HY) -22000 + (ID) 6650
Total energy: -158785.0 ( -163.19 by residue)
QMean score : 0.368
(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
: