Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEVRDVNFSYNGTDAILKNVSFTIQKNKINTIVGPNGSGKSTLLEILARLLSPNSGDVLLEGKSIFEWKAK--EFAQNVAIVHQS-NVLPNELMVKELLYFGRLPYKNWRMTRTKEDDLAVERALMQTELTEKAEKFVDSLSGGERQRVFIATALVQDTPILLLDEPTTFLDMYFQLEILELVKRLNQEENLTIVMILHDLNQALMYSDHLIVMKNGEVVAKGEPEELLTTDLIAETYGVVADVLNDANNGKYIVPQRRKEF
4YMW Chain:J ((12-224))
-----------GSLEVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFIDGVKINNGKVNINKVRQKVGMVFQHFNLFPHLTAIENITL---APVKVKKMNKKEAEELAVD-LLAKVGLLDKKDQYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQL-ANEGMTMVVVTHEMGFAREVGDRVIFMDDGVIVEEGTPEEIF---------------------------------
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) -141112 for 1634 contacts (-86.4/contact) +
2D Compatibility (PS) -23245 + (NN) -11665 + (LL) 2972
1D Compatibility (HY) -17600 + (ID) 3650
Total energy: -194300.0 ( -118.91 by residue)
QMean score : 0.500
(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
: