Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNVLVIGANGKIGRLLVEKLAMEKGFFVRAMVRKAEQVS----------ELEKLGAKPIIADLKK--DFHYAYDEIEAVIFTAGSGGHTPASETVNIDQNGAIKAIETAKEKG-VRRFIIVSSYGADNPE-NGPESLAHYLKAKQAADEELKKSGLDYTIVRPVGLSDDPATGK------------IAE-VS-GKPKTNIPRADVADFISEALSEKSSFYKTYTIESG-D-TPIKQFFN
2GAS Chain:A ((5-239))
NKILILGPTGAIGRHIVWASIKA-GNPTYALVRKTITAANPETKEELIDNYQSLGVILLEGDINDHETLVKAIKQVDIVICAAGRLLI-----------EDQVKIIKAIKEAGNVKKFF-PSEFGLDVDRHDAVEPVRQVFEEKASIRRVIEAEGVPYTYLCCHAFTGYFLRNLAQLDATDPPRDKVVILGDGNVKGAYVTEADVGTFTIRAANDPNTLNKAVHIRLPKNYLTQNEVIA
General information:
TITO was launched using:
RESULT:
Template:
2GAS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -74049 for 1546 contacts (-47.9/contact) +
2D Compatibility (PS) -22300 + (NN) -13563 + (LL) 812
1D Compatibility (HY) -10400 + (ID) 2100
Total energy: -121600.0 ( -78.65 by residue)
QMean score : 0.498
(partial model without unconserved sides chains):
PDB file :
Tito_2GAS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2GAS-query.scw
PDB file :
Tito_Scwrl_2GAS.pdb
: