Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSHESIEKNLNFVKKLNNVNDSVLKIENLALAYD-NKKVLDGINISIEKGDIVTILGPNGGGKTSLMKVVAGISKNYTGSVIFA---------DNIKISYMPQNFSISKLMPITVEYFLLNSFSKKL---KKNQSVITEVIELVGIGSILKNQVLEISAGQMQLLLLAHCLIAEPDLIILDEPVSAMDINARAKFYDIIGEIAKKRLISILMTSHDLSSIVPCSDYIICIN-HTIYCQGKPGKIMEDRTLGEIFSSYIAK
1Z47 Chain:A ((11-237))
-------------------GSMTIEFVGVEKIYPGGARSVRGVSFQIREGEMVGLLGPSGSGKTTILRLIAGLERPTKGDVWIGGKRVTDLPPQKRNVGLVFQNYA--LFQHMTVYDNVSFGLREKRVPKDEMDARVRELLRFMRLESYANRFPHELSGGQQQRVALARALAPRPQVLLFDEPFAAIDTQIRRELRTFVRQVHDEMGVTSVFVTHDQEEALEVADRVLVLHEGNVEQFGTPEEVYEKPGTLFVASFIGES
General information:
TITO was launched using:
RESULT:
Template:
1Z47.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -212664 for 1708 contacts (-124.5/contact) +
2D Compatibility (PS) -22979 + (NN) -10518 + (LL) 1524
1D Compatibility (HY) -13600 + (ID) 2200
Total energy: -260437.0 ( -152.48 by residue)
QMean score : 0.585
(partial model without unconserved sides chains):
PDB file :
Tito_1Z47.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1Z47-query.scw
PDB file :
Tito_Scwrl_1Z47.pdb
: