Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKRIQKNILREFEMESSEQALAIWSVLSDVYDKSPWSLSQISEDLKKD-STDYFFVYNDGEVIGFLALQQLV-----GEVEITNIAVKKNYQGKGYAYQLMSMIAD------IEVPVFLEVRYSNIVAQKLYERCGFVVLGKRKNYYHDPI--EGAIVMRKG
2AE6 Chain:A ((9-161))
----------TIRLVAEADWPALHALDQII---------SLAAYQEKMKDETIFVAISGQQLAGFIEVHPPTSLAAHQKQWLLSIGVSPDFQDQGIGGSLLSYIKDMAEISGIH-KLSLRVMATNQEAIRFYEKHGFVQEAHFKEEFYINGHYCDDYQYAYF
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) -81182 for 813 contacts (-99.9/contact) +
2D Compatibility (PS) -13688 + (NN) -2358 + (LL) 1540
1D Compatibility (HY) -5600 + (ID) 1200
Total energy: -102488.0 ( -126.06 by residue)
QMean score : 0.414
(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
: