Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLEKSFLKSKQLVLCGLGVLMLQACTCPNTSQRNSFLQDVPYWMLQNRSQYLTQGVDSSHIVDGKATEEIEKIATKRATIRVAQNIVHKLKEAYLSKSNRIKQKITNEMFIQMTKPIFDSLMNVDRLGIYINPNNEEVFALVRARSFDKDALSEGLHKMSLDDQAVSILVSKVEEIFKDSINYGDVKVPIAM
2WCR Chain:A ((1-148))
---------------------------------NSFLQDVPYWMLQNRSEYITQGVDSSHIVDGKKTEEIEKIATKRATIRVAQNIVHKLKEAYLSKTNRIKQKITNEMFIQMTQPIYDSLMNVDRLGIYINPNNEEVFALVRARGFDKDALSEGLHKMSLDNQAVSILVAKVEEIFKDSV-----------
General information:
TITO was launched using:
RESULT:
Template:
2WCR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -113601 for 1205 contacts (-94.3/contact) +
2D Compatibility (PS) -15840 + (NN) -7962 + (LL) 3316
1D Compatibility (HY) -20400 + (ID) 6900
Total energy: -161387.0 ( -133.93 by residue)
QMean score : 0.573
(partial model without unconserved sides chains):
PDB file :
Tito_2WCR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2WCR-query.scw
PDB file :
Tito_Scwrl_2WCR.pdb
: