Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MMLDKENPIIKEFEEAGAILHGHFVLSSGLHSDTYTQCAKIFENPSRAMKVCELLANKIKKELNSSIDLILSPAIGGIIVGYEIGRQL------RMKTMFCERVNGKFELRRGFEIKRGEKILLVEDVITTGKSSLEAVKCAEDMGGKVVAEASLIKRNSE----T-------K-LPFSIISLLELS-IKNYSEAELPEELKKLPIIKPGSREYLSNCSK
3N2L Chain:A ((26-219))
-MKAYQREFIEFALEKQVLKFGEFTLKSGRKSPYFFNAGL-FNTGRDLARLGRFYAAALVDS-GIEFDVLFGPAYKGIPIATTTAVALADHHDVDTPYCFNRKE-----NLVG--SKLEGRVMLVDDVITAGTAIRESMELIQANKADLAGVLVAIDRQEKGKGELSAIQEVERDFGCAVISIVSLTDLITYLEQQGNNTEHLEAVKAYRAQYGI-----
General information:
TITO was launched using:
RESULT:
Template:
3N2L.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -85035 for 1277 contacts (-66.6/contact) +
2D Compatibility (PS) -17363 + (NN) 1208 + (LL) 1292
1D Compatibility (HY) -8400 + (ID) 1750
Total energy: -110048.0 ( -86.18 by residue)
QMean score : 0.459
(partial model without unconserved sides chains):
PDB file :
Tito_3N2L.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3N2L-query.scw
PDB file :
Tito_Scwrl_3N2L.pdb
: