Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVQFFLPKNSKINKKGKVYPAPTKAKNVRRFQIYRWSADDKKN-PRVDTFFIDMDNCGSMVLDALIKIKDEIDPTLTFRRSCREGICGSCAMNIDGTNTLACTKSI-PDIKGDVKIYPLPHMYVIKDLVSDLSQFYEQYKSVNPWLQA-DKPNLLNQEYSQSPEDRKKLDGLSDCILCACCSTGCPNYWWNNDKFLGPAILLQAYRWIADSRDNKTDERLDALNDPFKLYRCHTIMSCTKTCPKGLNPAKAIAKIKQLMVERKGF
3AE2 Chain:B ((9-246))
-------------------------PRIKKFAIYRWDPDKTGDKPHMQTYEIDLNNCGPMVLDALIKIKNEIDSTLTFRRSCREGICGSCAMNINGGNTLACTRRIDTNLDKVSKIYPLPHMYVIKDLVPDLSNFYAQYKSIEPYLKKKDESQEGKQQYLQSIEEREKLDGLYECILCACCSTSCPSYWWNGDKYLGPAVLMQAYRWMIDSRDDFTEERLAKLQDPFSLYRCHTIMNCTGTCPKGLNPGKAIAEIKKMMATYKE-
General information:
TITO was launched using:
RESULT:
Template:
3AE2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -140653 for 1780 contacts (-79.0/contact) +
2D Compatibility (PS) -25373 + (NN) -15330 + (LL) 1220
1D Compatibility (HY) -30400 + (ID) 7850
Total energy: -218386.0 ( -122.69 by residue)
QMean score : 0.511
(partial model without unconserved sides chains):
PDB file :
Tito_3AE2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3AE2-query.scw
PDB file :
Tito_Scwrl_3AE2.pdb
: