Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MACERLGGQSGAADVDAAAPAMAAVNLTLGFAGKTVLDQVSMGFPARAVTSLMGPTGSGKTTFLRTLNRMNDKVSGYRYSGDVLLGGRSIFNYR-DVLEFRRRVGMLFQRPNPFP-MSIMDNV-LAGVRAHKLVPRKEFRGVAQARLTEVGLWDAVKDRLSDSPFRLSGGQQQLLCLARTLAVNPEVLLLDEPTSALDPTTTEKIEEFIRSLADR-LTVIIVTHNLAQAARISDRAALFFDGRLVEEGPTEQLFSSPKHAETARYVAGLSGDVKDAKRGN
4YMV Chain:J ((11-239))
------------------------------FGSLEVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKG-----EVFIDGVKINNGKVNINKVRQKVGMVFQHFNLFPHLTAIENITLAPVKVKKM-NKKEAEELAVDLLAKVGLLDK-KDQY---PIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLANEGMTMVVVTHEMGFAREVGDRVIFMDDGVIVEEGTPEEIFYRAKNERTREFLSKI-----------
General information:
TITO was launched using:
RESULT:
Template:
4YMV.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -117826 for 1782 contacts (-66.1/contact) +
2D Compatibility (PS) -24640 + (NN) -13414 + (LL) 2264
1D Compatibility (HY) -23200 + (ID) 4400
Total energy: -181216.0 ( -101.69 by residue)
QMean score : 0.417
(partial model without unconserved sides chains):
PDB file :
Tito_4YMV.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4YMV-query.scw
PDB file :
Tito_Scwrl_4YMV.pdb
: