Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKLVTATTLTAGIGTALVGQAHHADAAENYTNYNNYNYNTTQTTTTTTTTTTTSSISHSGNLYTAGQ-------CTWYVYDKVGGEIGSTWGNANNWAAAAQGAGFTVNH-----TPSKGAILQSSEGPF---GHVAYVESVNSDGSVTISEMNYSGGPFSVSSRTISASEAGNYNYIHI----
4CT3 Chain:A ((2-165))
------AKT--------------QAEINKRLDAYAKGTVDSPYRVKKATSYDPSFGVMEAGAIDADGYYHAQQDLITDYVLWLTDNKV-RTWGNAKDQIKQSYGTGFKIHENKPSTVPKKGWIAVFTSGSYEQWGHIGIVYDGGNTSTFTILEQNWNGYANKKPTKRVD-NYYGLTHFIEIPVKA
General information:
TITO was launched using:
RESULT:
Template:
4CT3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -21738 for 1041 contacts (-20.9/contact) +
2D Compatibility (PS) -15972 + (NN) -10137 + (LL) 1660
1D Compatibility (HY) -5600 + (ID) 1700
Total energy: -53487.0 ( -51.38 by residue)
QMean score : 0.306
(partial model without unconserved sides chains):
PDB file :
Tito_4CT3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4CT3-query.scw
PDB file :
Tito_Scwrl_4CT3.pdb
: