Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTQMNFTDRATRVAIIANGKYQSKRVASKLFAAFKHDPDFYLSKKDPDIVISIGGDGMLLSAFHMYEKQLDKVRFVGVHTGHLGFYTDYRDFEVDTLINNLKNDEGEQISYPILKVTITLEDGRV-IRARALNESTIKRIEKTMVADVVINQVVFERFRGDGILVSTPTGSTAYNKSLGGAVLHPTIEALQLTEISSLNNRVYRTLGSSVIIPKKDAIEIVPKRVGVYTISIDNKTVHYKNVTKIEYSIDEKSINFVSTPSHTSFWERVNDAFIGEPEH
2I2A Chain:A ((2-264))
-----------KYMITSKGDEKSDLLRLNMIAGFG-EYDMEYDDVEPEIVISIGGDGTFLSAFHQYEERLDEIAFIGIHTGHLGFYADWRPAEADKLVKLLAKGEYQKVSYPLLKTTVKYGIGKKEATYLALNESTVKSSGGPFVVDVVINDIHFERFRGDGLCMSTPSGTTAYNKSLGGALMHPSIEAMQLTEMASINNRVYRTIGSPLVFPKHHVVSLQPVNDKDFQISVDHLSILHRDVQEIRYEVSAKKIHFARFRSF-PFWRRVHDSFIED---
General information:
TITO was launched using:
RESULT:
Template:
2I2A.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -150978 for 2122 contacts (-71.1/contact) +
2D Compatibility (PS) -28651 + (NN) -11798 + (LL) 1016
1D Compatibility (HY) -24800 + (ID) 6150
Total energy: -221361.0 ( -104.32 by residue)
QMean score : 0.520
(partial model without unconserved sides chains):
PDB file :
Tito_2I2A.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2I2A-query.scw
PDB file :
Tito_Scwrl_2I2A.pdb
: