Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDILKTLQKHLGDVETSDFKTNAIEKSQQIAKFSRDMKNINESVGALQVLQIACKKLLNKSMGLEDKDALQASIIKQELREIVENCQFLASPLFDTQLNIAINDEVFSMIVDNPLNLLENVGGFQAYLEEKLNEIKELLGYLSESLSNPKAFMPKQSFSNKSLKDLLSDDLRA
3K1I Chain:C ((28-146))
---------------------------QQIAKFSRDMKNINESVGALQVLQIACKKLFNKSMGLEDKDALQASIIKQELREIVENCQFLASPLFDTQLNIAINDEIFSMIVVNPLDLLENVGEFQAYLEEKLNEIKELLGYLSESL---------------------------
General information:
TITO was launched using:
RESULT:
Template:
3K1I.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -67713 for 745 contacts (-90.9/contact) +
2D Compatibility (PS) -13269 + (NN) -9559 + (LL) 2992
1D Compatibility (HY) -18800 + (ID) 5700
Total energy: -112049.0 ( -150.40 by residue)
QMean score : 0.785
(partial model without unconserved sides chains):
PDB file :
Tito_3K1I.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3K1I-query.scw
PDB file :
Tito_Scwrl_3K1I.pdb
: