Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKPIKTYDIKEEELAKTAYATIKTNKGNITLELFYKDAPQAVSNFVTLA--KEGF-YNGLNFHRVIAGFVAQGG-CPYGTGTGG--------PEHRIKCEVAHNPNKHQRGSISMAHAGRDTGGSQFFLCFVDLPHLDGEHTVFGKITSAESLSVLDKIKQGDIIESVVFSPSL
3ICI Chain:A ((30-155))
--------------------------GRVIFGLFGKTVPKTVDNFVALATGEKGFGYKNSKFHRVIKDFMIQGGDFTRGDGTGGKSIYGERFPDENFKLK-HYGP-----GWVSMANAGKDTNGSQFFITTVKTAWLDGKHVVFGKVL--EGMEVVRKVESTKTDSRDKPLKDV
General information:
TITO was launched using:
RESULT:
Template:
3ICI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -61756 for 813 contacts (-76.0/contact) +
2D Compatibility (PS) -12221 + (NN) -6186 + (LL) 2776
1D Compatibility (HY) -10400 + (ID) 2800
Total energy: -90587.0 ( -111.42 by residue)
QMean score : 0.485
(partial model without unconserved sides chains):
PDB file :
Tito_3ICI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3ICI-query.scw
PDB file :
Tito_Scwrl_3ICI.pdb
: