Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKPIKTYDIKEEELAKTAYATIKTNKGNITLELFYKDAPQAVSNFVTLA--KEGF-YNGLNFHRVIAGFVAQGG-CPYGTGTGGPEHRIKCEVAHNPN---KHQR-GSISMAHAGRDTGGSQFFLCFVDLPHLDGEHTVFGKITSAESLSVLDKIKQGDIIESVVFSPSL
4N1Q Chain:A ((18-144))
--------------------------GRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFHRIIPGFMCQGGDFTRHNGTGGKS--IYGEKFEDENFILKHTGPGILSMANAGPNTNGSQFFICTAKTEWLDGKHVVFGKV--KEGMNIVEAMERFGSRNGKTSKKIT
General information:
TITO was launched using:
RESULT:
Template:
4N1Q.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -52172 for 849 contacts (-61.5/contact) +
2D Compatibility (PS) -12561 + (NN) -4726 + (LL) 2388
1D Compatibility (HY) -7600 + (ID) 2600
Total energy: -77271.0 ( -91.01 by residue)
QMean score : 0.444
(partial model without unconserved sides chains):
PDB file :
Tito_4N1Q.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4N1Q-query.scw
PDB file :
Tito_Scwrl_4N1Q.pdb
: