Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQVRLAFPNEIDQIMLLIEEARAEIAKTGSDQWQKEDGYPNRNDIIDDILNGYAWVGIEDGMLATYAAVIDGHEEVYDAIYEGKWLHDNHRYLTFHRIAISNQFRGRGLAQTFLQGLIE---GHKGPDFRCDTHEKNVTMQHILNKLGYQYCGKVPLDGVRLAYQKIKEKGETSIYREIDERNPM
2AE6 Chain:A ((8-147))
LTIRLVAEADWPALHALDQII-------------------SLAAYQEKMKDETIFVAISGQQLAGFIEVHPPTSLA------------AHQKQWLLSIGVSPDFQDQGIGGSLLSYIKDMAEISGIHKLSLRVMATNQEAIRFYEKHGFVQEAHFKEEFYINGHYCDDYQYAYFI----------
General information:
TITO was launched using:
RESULT:
Template:
2AE6.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -75709 for 776 contacts (-97.6/contact) +
2D Compatibility (PS) -13331 + (NN) -5420 + (LL) 2540
1D Compatibility (HY) -3600 + (ID) 850
Total energy: -96370.0 ( -124.19 by residue)
QMean score : 0.435
(partial model without unconserved sides chains):
PDB file :
Tito_2AE6.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AE6-query.scw
PDB file :
Tito_Scwrl_2AE6.pdb
: