Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLKDEMIAKGAKYIQSIYQD----PFIQGIIKGRLDHDVICHYLQADNIYLGKFADIYALCLAKSDNLRDKQFFLEQIDFTLNRELADGEGPHQALAAYTNRSYQDIIEKGVWYPSADHYIKHMYFHFYENGIAGALAAMSPCPWIYHQLAKKIIEENQFLNGNPFNNWITFYANDTVEELMENYFRMMDYYAQNLSKEKQADLVDAFVKSCQMRDVFFKWQ
3IBX Chain:A ((12-211))
--------------QSIWGDCISHPFVQGIGRGTLERDKFRFYIIQDYLYLLEYAKVFALGVVKACDEAVMREFSNAIQDILNNEMSIHNHYIREL-----QITQKELQNACPTLANKSYTSYMLAEGFKGSIKEVAAAVLSCGWSYLVIAQNLSQIPNALEHAFYGHWIKGYSSKEFQACVNWNINLLDSLTLASSKQEIEKLKEIFITTSEYEYLFWDMA
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) -125661 for 1427 contacts (-88.1/contact) +
2D Compatibility (PS) -20533 + (NN) -3182 + (LL) 1780
1D Compatibility (HY) -11600 + (ID) 2300
Total energy: -161496.0 ( -113.17 by residue)
QMean score : 0.446
(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
: