Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVQFFLPKNSKINKKGKVYPAPTKAKNVRRFQIYRWSADDKKN-PRVDTFFIDMDNCGSMVLDALIKIKDEIDPTLTFRRSCREGICGSCAMNIDGTNTLACTKSI-PDIKGDVKIYPLPHMYVIKDLVSDLSQFYEQYKSVNPWLQA-DKPNLLNQEYSQSPEDRKKLDGLSDCILCACCSTGCPNYWWNNDKFLGPAILLQAYRWIADSRDNKTDERLDALNDPFKLYRCHTIMSCTKTCPKGLNPAKAIAKIKQLMVERKGF
1YQ3 Chain:B ((6-246))
----------------------AATSRIKKFSIYRWDPDKPGDKPRMQTYEVDLNKCGPMVLDALIKIKNELDSTLTFRRSCREGICGSCAMNIAGGNTLACTKKIDPDLSKTTKIYPLPHMYVVKDLVPDLSNFYAQYKSIEPYLKKKDESKQGKEQYLQSIEDRQKLDGLYECILCACCSTSCPSYWWNGDKYLGPAVLMQAYRWMIDSRDDYTEERLAQLQDPFSLYRCHTIMNCTRTCPKGLNPGKAIAEIKKMMATYKE-
General information:
TITO was launched using:
RESULT:
Template:
1YQ3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -130230 for 1812 contacts (-71.9/contact) +
2D Compatibility (PS) -25740 + (NN) -15303 + (LL) 960
1D Compatibility (HY) -30400 + (ID) 7850
Total energy: -208563.0 ( -115.10 by residue)
QMean score : 0.527
(partial model without unconserved sides chains):
PDB file :
Tito_1YQ3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1YQ3-query.scw
PDB file :
Tito_Scwrl_1YQ3.pdb
: