Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MMKKVKLGILISGRGSNMQALMKACQNYGFPAEMACVISNNNKAAGLKVAEQAGMPTFVVENKPLDVDKIHEILVQHEVNL-----VCLAGFMRILKADFLNKWHGKVINVHPSLLPSFKGLNAQEQALKAGVKVTGCTVHYVTSEVDAGAIIAQAAVPVLPNDDIHSLSKRILSEEHKCYVEAVRLIAMLSRKLERP
1C3E Chain:B ((5-177))
--------VLISGNGSNLQAIIDACKTNKIKGTVRAVFSNKADAFGLERARQAGIATHTLIASAFDSREAYDRELIHEIDMYAPDVVVLAGFMRILSPAFVSHYAGRLLNIHPSLLPKYPGLHTHRQALENGDEEHGTSVHFVTDELDGGPVILQAKVPVFAGDSEDDITARVQTQEHAIYPLVISWFADGRLKMHEN
General information:
TITO was launched using:
RESULT:
Template:
1C3E.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -111408 for 1288 contacts (-86.5/contact) +
2D Compatibility (PS) -19147 + (NN) -14166 + (LL) 804
1D Compatibility (HY) -14000 + (ID) 3400
Total energy: -161317.0 ( -125.25 by residue)
QMean score : 0.401
(partial model without unconserved sides chains):
PDB file :
Tito_1C3E.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1C3E-query.scw
PDB file :
Tito_Scwrl_1C3E.pdb
: