Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MITLDHVTKQYKSSARPALDDINVKIDKGEFVFLIGPSGSGKSTFMRLLLAAETPTSGDVRVSKFHVNKLRGRHVPKLRQVIGCVFQDFRLLQQKTVYDNVAFA-LEVIGKRTDAINRVVPEVLETVGLSGKANRLPDELSGGEQQRVAIARAFVNRPLVLLADEPTGNLDPETSRDIMDLLERINRTGTTVLMATHDHHIVDSMRQRVVELSLGRLVRDEQRGVYGMDR
4U00 Chain:A ((20-219))
------------------LKGIHLEVAPGEKLVIIGPSGSGKSTLIRTINRLEDFQEGEVVVDGLSVKD--DRALREIRREVGMVFQQFNLFPHMTVLENVTLAPMRVRRWPREKAEKKALELLERVGILDQARKYPAQLSGGQQQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLDVMRDLAQGGMTMVVVTHEMGFAREVADRVVFMDGGQIVEE----------
General information:
TITO was launched using:
RESULT:
Template:
4U00.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -122084 for 1578 contacts (-77.4/contact) +
2D Compatibility (PS) -21518 + (NN) -6925 + (LL) 2156
1D Compatibility (HY) -18400 + (ID) 3700
Total energy: -170471.0 ( -108.03 by residue)
QMean score : 0.552
(partial model without unconserved sides chains):
PDB file :
Tito_4U00.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4U00-query.scw
PDB file :
Tito_Scwrl_4U00.pdb
: