Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLKDEMIAKGAKYIQSIYQD----PFIQGIIKGRLDHDVICHYLQADNIYLGKFADIYALCLAKSDNLRDKQFFLEQIDFTLNRELADGEGPHQALAAYTNRSYQDIIEKGVWYPSADHYIKHMYFHFYENGIAGALAAMSPCPWIYHQLAKKIIEENQFLNGNPFNNWITFYANDTVEELMENYFRMMDYYAQNLSKEKQADLVDAFVKSCQMRDVFFKWQ
2RD3 Chain:A ((12-211))
--------------QSIWGDCISHPFVQGIGRGTLERDKFRFYIIQDYLFLLEYAKVFALGVVKACDEAVMREFSNAIQDILNNEMSIHNHYIREL-----QITQKELQNACPTLANKSYTSYMLAEGFKGSIKEVAAAVLSCGWSYLVIAQNLSQIPNALEHAFYGHWIKGYSSKEFQACVNWNINLLDSLTLASSKQEIEKLKEIFITTSEYEYLFWDMA
General information:
TITO was launched using:
RESULT:
Template:
2RD3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -117317 for 1457 contacts (-80.5/contact) +
2D Compatibility (PS) -20451 + (NN) -4254 + (LL) 1780
1D Compatibility (HY) -11600 + (ID) 2250
Total energy: -154092.0 ( -105.76 by residue)
QMean score : 0.437
(partial model without unconserved sides chains):
PDB file :
Tito_2RD3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2RD3-query.scw
PDB file :
Tito_Scwrl_2RD3.pdb
: