Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTNEKGIVFNIQHFSIHDGPGIRTTVFLKGCPLRCPWCANPESQKMVPETMRDAITNESVIVGEEKSVDDIIEEVLKDIDFYEESGGGITLSGGEIFAQFEFAKAILKRAKSLGIHTAIETTAYTRHEQFV--DLIQYVDFIYTDLKHYNSLKHQEKTMVKNASIIKNIHYAFANGKTIVLRIPVIPNFNDSLEDAEEFACLF-DRLDIRQVQLLPFHQFGQNKYRLLNRQYEMEEIAALHPEDLLDYQAIFSKYNIHCYF
3CB8 Chain:A ((4-240))
-----GRIHSFESCGTVDGPGIRFITFFQGCLMRCLYCHN-----------RDTWDTHG---GKEVTVEDLMKEVVTYRHFMNASGGGVTASGGEAILQAEFVRDWFRACKKEGIHTCLDTNGFVRRYDPVIDELLEVTDLVMLDLKQMNDEIHQNLVGVSNHRTLEFAKYLANKNVKVWIRYVVVPGWSDDDDSAHRLGEFTRDMGNVEKIELLPYHELGKHKWVAMGEEYKLDGVKPPKKETMERVKGILEQYGHKVMF
General information:
TITO was launched using:
RESULT:
Template:
3CB8.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -120660 for 1929 contacts (-62.6/contact) +
2D Compatibility (PS) -25018 + (NN) -11570 + (LL) 1680
1D Compatibility (HY) -16400 + (ID) 3500
Total energy: -175468.0 ( -90.96 by residue)
QMean score : 0.472
(partial model without unconserved sides chains):
PDB file :
Tito_3CB8.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3CB8-query.scw
PDB file :
Tito_Scwrl_3CB8.pdb
: