Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKFFLDTASVSEIKRISELGLVDGVTTNPTIIAKEGRPFEEVIKEICSIVDGPVSAEV---IGLEADKMVEEA-RILAKWAPN------VVVKIPMTEEGLKAVHTLTAEGIKTNVTLIFTVSQGLMAAKAGATYISPFLGRLDD--------------IGTDGMILIKNLKKVLDNYGLKAEIISASIRHIGHLEEAAEAGAHIATIPGSLFPKLWSHPLTDKGIEGFLKDWEAFSQKEGN
3UPB Chain:B ((111-290))
--------------------------------------------KILDVIEGKVSSEVDARVSFNSATTIDYAKRIIARYESNGIPKDRVLIKIAATWEGIKAAKLLQKEGINCNLTLIFDKAQAKACAEAGVYLVSPFVGRITDWQMQQNNLKTFPAIADDDGVNSVKAIYKLYKSHGFKTIVMGASFRNVEQV--IALAGCDALTISPVLLEEL--------------------------
General information:
TITO was launched using:
RESULT:
Template:
3UPB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -104071 for 1149 contacts (-90.6/contact) +
2D Compatibility (PS) -15887 + (NN) -2211 + (LL) 4540
1D Compatibility (HY) -12800 + (ID) 2700
Total energy: -133129.0 ( -115.87 by residue)
QMean score : 0.587
(partial model without unconserved sides chains):
PDB file :
Tito_3UPB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3UPB-query.scw
PDB file :
Tito_Scwrl_3UPB.pdb
: