Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLNQLKNNYFFAVIRGKSSEDALEIAKHAILGGIRNIEVTFSTPEASKVIKQLSDDFKNNKKIIVGAGTVMTTQLAKDAIDAGAKFLVSPHFDSDIANLANENKVYYFPGCATATEIVVARKYKCQIIKLFPGGVV-GPDFIKDIHGPIPDVDLMPSGGVSVSNVAEWRKAGAVAVGVGSALSSKVA--TEGYDSVTKIAKQFVSALD
1MXS Chain:A ((20-223))
-DAICEKARILPVITIAREEDILPLADALAAGGIRTLEVTLRSQHGLKAIQVLREQRP---ELCVGAGTVLDRSMFAAVEAAGAQFVVTPGITEDILEAGVDSEIPLLPGISTPSEIMMGYALGYRRFKLFPAEISGGVAAIKAFGGPFGDIRFCPTGGVNPANVRNYMALPNVMCVGTTWMLDSSWIKNGDWARIEACSAEAIALLD
General information:
TITO was launched using:
RESULT:
Template:
1MXS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -130893 for 1671 contacts (-78.3/contact) +
2D Compatibility (PS) -21859 + (NN) -13292 + (LL) 112
1D Compatibility (HY) -15200 + (ID) 2750
Total energy: -183882.0 ( -110.04 by residue)
QMean score : 0.614
(partial model without unconserved sides chains):
PDB file :
Tito_1MXS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1MXS-query.scw
PDB file :
Tito_Scwrl_1MXS.pdb
: