Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNQEVRFSRLEPEQRKALLIEATLACLKRHGFQGASVRKICAEAGVSVGLINHHYDGKDALVAEAYLAVTGRVMRLLRGAIDT------APGGARPRLSAFFEASFSAELLDPQLLDAWLAFWGAVGSIEAIGRVHDHSYGEYRALLVGVLRQLAEEGGWADFDAELAAISLSALLDGLWLESGLNPATFTPRQGVQICEAWVDGLEAGAHRRFRRAMEAC
4JNN Chain:A ((1-161))
----------QSEARRRIL-ETAWRLIARRGYHNVRIHDIASELGTSNATIHYHFPSKKDILLEA-------LRRNVKLAFDRQVAELHTIADARERLVRLVELQLPTPGLLRDEWSVWLQVWTESTLNPKIRDLYNDAYDRWYQTIAMTIRTGQKQGVFRDQDADELATRLSALIDGL------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
4JNN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -95193 for 1074 contacts (-88.6/contact) +
2D Compatibility (PS) -17537 + (NN) -14003 + (LL) 4840
1D Compatibility (HY) -7600 + (ID) 2100
Total energy: -131593.0 ( -122.53 by residue)
QMean score : 0.467
(partial model without unconserved sides chains):
PDB file :
Tito_4JNN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4JNN-query.scw
PDB file :
Tito_Scwrl_4JNN.pdb
: