Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKVLIINGAKAFGHSGGKLNETLTHHAKKILESLGLEVDTTIVDKGYEKSQEVEKFFSADATIWQMPGWWMGEPWIVKKYIDEVFTSGHGKLYASDGRSSQNPTKNYGKGGLMQGKKYMLSLTWNAPIEAFNDPSEFFEGVGVDVVYLHLHKAFQFLGLSALPTFICNDVMKNPQVEQYLNSLTVHLRQAFGK
3RPE Chain:B ((25-214))
MSNVLIINAMKEFAHSKGALNLTLTNVAADFLRESGHQVKITTVDQGYDIESEIENYLWADTIIYQMPAWWMGEPWILKKYIDEVFTDGHGRLYQSDGRTRSDATKGYGSGGLIQGKTYMLSVTWNAPREAFTDPEQFFHGVGVDGVYLPFHKANQFLGMKPLPTFMCNDVIKQPDIEGDIARYRQHLAENVNS
General information:
TITO was launched using:
RESULT:
Template:
3RPE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -93691 for 1456 contacts (-64.3/contact) +
2D Compatibility (PS) -20733 + (NN) -10318 + (LL) 0
1D Compatibility (HY) -21200 + (ID) 5650
Total energy: -151592.0 ( -104.12 by residue)
QMean score : 0.625
(partial model without unconserved sides chains):
PDB file :
Tito_3RPE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3RPE-query.scw
PDB file :
Tito_Scwrl_3RPE.pdb
: