Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDKKTIYFICTGNSCRSQMAEGWGKEILGEGWNVYSAGIETHGVNPKAIEAMKEVDIDISNHTSDLIDNDILKQSDLVVTLCSDADNNCPILPPNVKKEHWGFDDPAGKE------WSEFQRVRDEIKLAIEKFKLR
2IPA Chain:B ((1-134))
MENKIIYFLSTGNSARSQMAEGWAKQYLGDEWKVYSAGIEAHGLNPNAVKAMKEVGIDISNQTSDIIDSDILNNADLVVTLSGDAADKCPMTPPHVKREHWGFDDPARAQGTEEEKWAFFQRVRDEIGNRLKEF---
General information:
TITO was launched using:
RESULT:
Template:
2IPA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -24896 for 1051 contacts (-23.7/contact) +
2D Compatibility (PS) -14164 + (NN) -8739 + (LL) 340
1D Compatibility (HY) -13200 + (ID) 4200
Total energy: -64859.0 ( -61.71 by residue)
QMean score : 0.610
(partial model without unconserved sides chains):
PDB file :
Tito_2IPA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IPA-query.scw
PDB file :
Tito_Scwrl_2IPA.pdb
: