Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLKDEMIAKGAKYIQSIYQDPFIQGIIKGRLDHDVICHYLQADNIYLGKFADIYALCLAKSDNLRDKQFFLEQIDFTLNRELADGEGPHQALAAYTNRSYQDIIEKGVWYPSADHYIKHMYFHFYENGIAGALAAMSPCPWIYHQLAKKIIEENQFLNGNPFNNWITFYANDTVEELMENYFRMMDYYAQNLSKEKQADLVDAFVKSCQMRDVFFKWQ
3IBX Chain:A ((2-213))
QVSQYLYQNAQSIWGDCISHPFVQGIGRGTLERDKFRFYIIQDYLYLLEYAKVFALGVVKACDEAVMREFSNAIQDILNNEMS----IHNHYIRELQITQKELQNAC-PTLANKSYTSYMLAEGFKGSIKEVAAAVLSCGWSYLVIAQNLSQIPNALEHAFYGHWIKGYSSKEFQACVNWNINLLDSLTLASSKQEIEKLKEIFITTSEYEYLFWDMA
General information:
TITO was launched using:
RESULT:
Template:
3IBX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -143628 for 1621 contacts (-88.6/contact) +
2D Compatibility (PS) -22552 + (NN) -5912 + (LL) -124
1D Compatibility (HY) -12800 + (ID) 2050
Total energy: -187066.0 ( -115.40 by residue)
QMean score : 0.481
(partial model without unconserved sides chains):
PDB file :
Tito_3IBX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IBX-query.scw
PDB file :
Tito_Scwrl_3IBX.pdb
: