Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNQEVRFSRLEPEQRKALLIEATLACLKRHGFQGASVRKICAEAGVSVGLINHHYDGKDALVAEAYLAVTGRVMRLLRGAIDT------APGGARPRLSAFFEASFSAELLDPQLLDAWLAFWGAVGSIEAIGRVHDHSYGEYRALLVGVLRQLAEEGGWADFDAELAAISLSALLDGLWLESGLNPATFTPRQGVQICEAWVDGLEAGAHRRFRRAMEAC
4KWA Chain:A ((2-162))
----------QSEARRRIL-ETAWRLIARRGYHNVRIHDIASELGTSNATIHYHFPSKKDILLEA-------LRRNVKLAFDRQVAELHTIADARERLVRLVELQLPTPGLLRDEWSVWLQVWTESTLNPKIRDLYNDAYDRWYQTIAMTIRTGQKQGVFRDQDADELATRLSALIDGL------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
4KWA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -100543 for 1067 contacts (-94.2/contact) +
2D Compatibility (PS) -17489 + (NN) -13621 + (LL) 4840
1D Compatibility (HY) -7600 + (ID) 2100
Total energy: -136513.0 ( -127.94 by residue)
QMean score : 0.457
(partial model without unconserved sides chains):
PDB file :
Tito_4KWA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4KWA-query.scw
PDB file :
Tito_Scwrl_4KWA.pdb
: