Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTIRSYQGKTPLLGERVFVDPSAVLVGDIEIGADSSVWPLVVIRGDMHRIRIGQRSSIQDGSVLHITHAGPFNPDGFPLSIGDEVTVGHKVLLHGCSIGNRVLVGMGSIVMDGAVIEDEVILGAGSLVPPGKVLESGFLYVGSPAKKARPLSDKERGFFAYTAGNYVKLKDLHIAEDYHA
3TIS Chain:A ((4-177))
--LHPYRDLFPQIGQRVMIDDSSVVIGDVRLADDVGIWPLVVIRGDVHYVQIGARTNIQDGSMLHVTHKS-----GNPLTIGEDVTVGHKVMLHGCTIGNRVLVGMGSILLDGAIVEDDVMIGAGSLVPQNKRLESGYLYLGSPVKQIRPLSDEEKAGLRYSANNYVKWKDEYLDQGN--
General information:
TITO was launched using:
RESULT:
Template:
3TIS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -135642 for 1408 contacts (-96.3/contact) +
2D Compatibility (PS) -18544 + (NN) -7101 + (LL) -28
1D Compatibility (HY) -21600 + (ID) 4950
Total energy: -187865.0 ( -133.43 by residue)
QMean score : 0.538
(partial model without unconserved sides chains):
PDB file :
Tito_3TIS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TIS-query.scw
PDB file :
Tito_Scwrl_3TIS.pdb
: