Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MFIDTHCHLDHKDYENDLDEVLKESLEKGVTQCVIPGADMKDLNRAVGISEKFEGVFFAIGAHPYDVESFDEGLFEKFVS---HQKCVAIGECGLDYYRLPELSERENYKSKQKEIFTKQIEFSIQHNKPLIIHIREASFDSLNLLKSYP--KAFGVLHCFNAD-SMLLELSDR-FYYGIGGVSTFKN-AKRLVEILPKIPKNRLLLETDSPYLTPHPFR----GTRNSPTYIPLIAQKIAEIIHIETEELASLSTHNAQTLFNFP
1XWY Chain:A ((5-263))
-MFDIGVNLTSSQFAKDRDDVVACAFDAGVNGLLITGTNLRESQQAQKLARQYSSCWSTAGVHPHDSSQWQAATEEAIIELAAQPEVVAIGECGLDFNRNFS------TPEEQERAFVAQLRIAADLNMPVFMHCRDAHERFMTLLEPWLDKLPGAVLHCFTGTREEMQACVAHGIYIGITGWVCDERRGLELRELLPLIPAEKLLIETDAPYLLPRDLTPKPSSRRNEPAHLPHILQRIAHWRGEDAAWLAATTDANVKTLFGIA
General information:
TITO was launched using:
RESULT:
Template:
1XWY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -148106 for 2147 contacts (-69.0/contact) +
2D Compatibility (PS) -26563 + (NN) -16638 + (LL) 584
1D Compatibility (HY) -16400 + (ID) 3650
Total energy: -210773.0 ( -98.17 by residue)
QMean score : 0.620
(partial model without unconserved sides chains):
PDB file :
Tito_1XWY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1XWY-query.scw
PDB file :
Tito_Scwrl_1XWY.pdb
: