Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVQFFLPKNSKINKKGKVYPAPTKAKNVRRFQIYRWSADDKKN-PRVDTFFIDMDNCGSMVLDALIKIKDEIDPTLTFRRSCREGICGSCAMNIDGTNTLACTKSI-PDIKGDVKIYPLPHMYVIKDLVSDLSQFYEQYKSVNPWLQA-DKPNLLNQEYSQSPEDRKKLDGLSDCILCACCSTGCPNYWWNNDKFLGPAILLQAYRWIADSRDNKTDERLDALNDPFKLYRCHTIMSCTKTCPKGLNPAKAIAKIKQLMVERKGF
3AE5 Chain:B ((9-246))
-------------------------PRIKKFAIYRWDPDKTGDKPHMQTYEIDLNNCGPMVLDALIKIKNEIDSTLTFRRSCREGICGSCAMNINGGNTLACTRRIDTNLDKVSKIYPLPHMYVIKDLVPDLSNFYAQYKSIEPYLKKKDESQEGKQQYLQSIEEREKLDGLYECILCACCSTSCPSYWWNGDKYLGPAVLMQAYRWMIDSRDDFTEERLAKLQDPFSLYRCHTIMNCTGTCPKGLNPGKAIAEIKKMMATYKE-
General information:
TITO was launched using:
RESULT:
Template:
3AE5.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -147354 for 1764 contacts (-83.5/contact) +
2D Compatibility (PS) -25334 + (NN) -13215 + (LL) 1220
1D Compatibility (HY) -30400 + (ID) 7850
Total energy: -222933.0 ( -126.38 by residue)
QMean score : 0.517
(partial model without unconserved sides chains):
PDB file :
Tito_3AE5.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3AE5-query.scw
PDB file :
Tito_Scwrl_3AE5.pdb
: