Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLIDPRAIIDPSARLAADVQVGPWSIVGAEVEIGEGTVIGPHVVLKGPTKIGKHNRIYQFSSVGEDTPDLKYKGEPTRLVIGDHNVIREGVTIHRGTVQDRAETTIGDHNLIMAYAHIGHDSVIGNHCILVNNTALAGHVHVDDWAILSGYTLVHQYCRIGAHSFSGMGSAIGKDVPAYVTVFGNPAEARSMNFEGMRRRGFSSEAIHALRRAYKVVYRQGHTVEEALAELAESAAQFPEVAVFRDSIQSATRGITR
2AQ9 Chain:A ((6-262))
-AFVHPTAIVEEGASIGANAHIGPFCIVGPHVEIGEGTVLKSHVVVNGHTKIGRDNEIYQFASIGEVNQDLKYAGEPTRVEIGDRNRIRESVTIHRGTVQGGGLTKVGSDNLLMINAHIAHDCTVGNRCILANNATLAGHVSVDDFAIIGGMTAVHQFCIIGAHVMVGGCSGVAQDVPPYVIAQGNHATPFGVNIEGLKRRGFSREAITAIRNAYKLIYRSGKTLDEVKPEIAELAETYPEVKAFTDFFARSTRGLIR
General information:
TITO was launched using:
RESULT:
Template:
2AQ9.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -191365 for 2291 contacts (-83.5/contact) +
2D Compatibility (PS) -28196 + (NN) -15583 + (LL) 208
1D Compatibility (HY) -23600 + (ID) 7000
Total energy: -265536.0 ( -115.90 by residue)
QMean score : 0.584
(partial model without unconserved sides chains):
PDB file :
Tito_2AQ9.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AQ9-query.scw
PDB file :
Tito_Scwrl_2AQ9.pdb
: