Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIEQDLQNRLVDQEILHGSDLLDEIHEVKQNNEQLIIELNTKYHTK-KEVTKYLSDITGKPVDPSVDVSLPFYSDFGKHITFGKNIFINLNVTFVDLGGITIEDNVLIGPGARLVTVNHLVSPKKRR--GLRVAPICVKKNAWIGANTTILSGVTIGENAIVAADATVTKDVPPNVIVAGSPAKQIRKIIEE
1KRR Chain:A ((4-187))
----PMTERIRAGKLFTD--MCEGLPEKRLRGKTLMYEFNHSHPSEVEKRESLIKEMF-ATVGENAWVEPPVYFSYGSNIHIGRNFYANFNLTIVDDYTVTIGDNVLIAPNVTLSVTGHPVHHELRKNGEMYSFPITIGNNVWIGSHVVINPGVTIGDNSVIGAGSIVTKDIPPNVVAAGVPCRVIREIND-
General information:
TITO was launched using:
RESULT:
Template:
1KRR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -113183 for 1400 contacts (-80.8/contact) +
2D Compatibility (PS) -19633 + (NN) -6226 + (LL) 464
1D Compatibility (HY) -13600 + (ID) 2900
Total energy: -155078.0 ( -110.77 by residue)
QMean score : 0.636
(partial model without unconserved sides chains):
PDB file :
Tito_1KRR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1KRR-query.scw
PDB file :
Tito_Scwrl_1KRR.pdb
: