Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MACERLGGQSGAADVDAAAPAMAAVNLTLGFAGKTVLDQVSMGFPARAVTSLMGPTGSGKTTFLRTLNRMNDKVSGYRYSGDVLLGGRSIFNYR-DVLEFRRRVGMLFQRPNPFP-MSIMDNV-LAGVRAHKLVPRKEFRGVAQARLTEVGLWDAVKDRLSDSPFRLSGGQQQLLCLARTLAVNPEVLLLDEPTSALDPTTTEKIEEFIRSLADR-LTVIIVTHNLAQAARISDRAALFFDGRLVEEGPTEQLFSSPKHAETARYVAGLSGDVKDAKRGN
4YMW Chain:J ((11-239))
------------------------------FGSLEVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKG-----EVFIDGVKINNGKVNINKVRQKVGMVFQHFNLFPHLTAIENITLAPVKVKKM-NKKEAEELAVDLLAKVGLLDK-KDQY---PIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLANEGMTMVVVTHEMGFAREVGDRVIFMDDGVIVEEGTPEEIFYRAKNERTREFLSKI-----------
General information:
TITO was launched using:
RESULT:
Template:
4YMW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -113617 for 1764 contacts (-64.4/contact) +
2D Compatibility (PS) -24845 + (NN) -14984 + (LL) 2264
1D Compatibility (HY) -23200 + (ID) 4400
Total energy: -178782.0 ( -101.35 by residue)
QMean score : 0.379
(partial model without unconserved sides chains):
PDB file :
Tito_4YMW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4YMW-query.scw
PDB file :
Tito_Scwrl_4YMW.pdb
: