Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MALKKVLTIAGSDTSAGAGMQADLKTFQELDTYGMVALTAIVTMD-KDTWSHDVTPLPMDVFEKQLETAL-SIGPDAIKTGMLGTEEIIKRAGEVYEASNAQYFVVDPVMVCKGEDEVLNPGNTEAMIKYLLPKATVVTPNLFEAGQLSGLGKLNSIEDMKKAATIIFDKGAQHVIIKGGKALDQDKSYDLYYDGQTFYQLTTDMFQQSYNHGAGCTFAAATTAYLANGKSPKEAVISAKAFVASAIKNGWKMNDFVGPVDHGAYNRIEHIDVEVTEV
2I5B Chain:A ((3-264))
--MHKALTIAGSDSSGGAGIQADLKTFQEKNVYGMTALTVIVAMDPNNSWNHQVFPIDTDTIRAQLATITDGIGVDAMKTGMLPTVDIIELAAKTIKEKQLKNVVIDPVMVCKGANEVLYPEHAQALREQLAPLATVITPNLFEASQLSGMDELKTVDDMIEAAKKIHALGAQYVVITGGGKLKHEKAVDVLYDGETAEVLESEMIDTPYTHGAGCTFSAAVTAELAKGAEVKEAIYAAKEFITAAIKESFPLNQYVGPTKHSA--------------
General information:
TITO was launched using:
RESULT:
Template:
2I5B.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -128472 for 2358 contacts (-54.5/contact) +
2D Compatibility (PS) -28553 + (NN) -10150 + (LL) 1780
1D Compatibility (HY) -20800 + (ID) 6700
Total energy: -192895.0 ( -81.80 by residue)
QMean score : 0.491
(partial model without unconserved sides chains):
PDB file :
Tito_2I5B.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2I5B-query.scw
PDB file :
Tito_Scwrl_2I5B.pdb
: