Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQAKIKNKRVLVKFSGEALAGDNQFGIDIHVLDHIAKEIRSLVENDIEVGIVIGGGNIIRGVSAAQGGIIRRTSGDYMGMLATVINAVAMQEALEHIGLDTRVQSAIEIKEICESYIYRKAIRHLEKGRVVIFGAGTGNPFFTTDTAATLRAIEIGSDLIIKATKVDGIYDKDPNKFKDAKKLDTLSYNDALIGDIEVMDDTAISLAKDNKLPIVVCNMFKKGNLLQVIKHQQ-GVFSMVK
2A1F Chain:A ((1-239))
-LSQPIYKRILLKLSGEALQGEDGLGIDPAILDRMAVEIKELVEMGVEVSVVLGGGNLFRGAKLAKAGM-NRVVGDHMGMLATVMNGLAMRDSLFRADVNAKLMSAFQLNGICDTYNWSEAIKMLREKRVVIFSAGTGNPFFTTDSTACLRGIEIEADVVLKATKVDGVYDCAK-------LYKNLSYAEVIDKELKVMDLSAFTLARDHGMPIRVFNMGKPGALRQVVTGTEEGTTICEG
General information:
TITO was launched using:
RESULT:
Template:
2A1F.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -173474 for 1917 contacts (-90.5/contact) +
2D Compatibility (PS) -25769 + (NN) -12476 + (LL) 724
1D Compatibility (HY) -23600 + (ID) 5350
Total energy: -239945.0 ( -125.17 by residue)
QMean score : 0.546
(partial model without unconserved sides chains):
PDB file :
Tito_2A1F.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2A1F-query.scw
PDB file :
Tito_Scwrl_2A1F.pdb
: