Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEPFRNIGIIGRLGSTQVLDTIRRLKKFLIDRHLHVILEDTIAEVLPGHGLQTCSRKIMGEICDLVVVVGGDGSMLGAARALARHKVPVLGINRGSLGFLTDIRPDELEAKVGEVLDGQYIVESRFLLDAQVRRGIDSMGQGDALNDVVLHPGKSTRMIEFELYIDGQFVCSQKADGLIVATPTGSTAYALSAGGPIMHPKLDAIVIVPMYPHMLSSRPIVVDGNSELKIVVSPNMQIYPQVSCDGQNHFTCAPGDTVTISKKPQKLRLIHPIDHNYYEICRTKLGWGSRLGGGD
4HAO Chain:B ((6-292))
---FDCIGIVGHPRHPAALATHEILYHWLKARGYAVMVEQQIAHDLNLTDAITGSLADIGQKADLAVVVGGDGNMLGAARVLARYDIKVIGVNRGNLGFLTDLDPDNALQQLSDVLEGEYLSEQRFLLETHVR-----SRISTAINEVVLHPGKVAHMIEFEVYIDDRFAFSQRSDGLIIATPTGSTAYSLSAGGPILTPTLDAIVLVPMFPHTLTARPLVISSSSTIRLKFS-HITSDLEISCDSQIALPIQEGEEVLIRRSDFHLNLIHPKDYSYFNTLSTKLGWSKKL----
General information:
TITO was launched using:
RESULT:
Template:
4HAO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -235510 for 2316 contacts (-101.7/contact) +
2D Compatibility (PS) -31699 + (NN) -18495 + (LL) -532
1D Compatibility (HY) -26800 + (ID) 6850
Total energy: -319886.0 ( -138.12 by residue)
QMean score : 0.532
(partial model without unconserved sides chains):
PDB file :
Tito_4HAO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4HAO-query.scw
PDB file :
Tito_Scwrl_4HAO.pdb
: