Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPKSFRHLVQALACLALLASASLQAQESRLDRILESGVLRVATTGDYKPFSYRTEEGGYAGFDVDMAQRLAESLGAKLVVVPTSWPNLMRDFADDRFDIAMSGISINLERQRQAYFSIPYLRDGKTPITLCSEEARFQTLEQIDQPGVTAIVNPGGTNEKFARANLKKARILVHPDNVTIFQQIVDGKADLMMTDAIEARLQSRLHPELCAVHPQQPFDFAEKAYLLPRDEAFKRYVDQWLHIAEQSGLLRQRMEHWLEYRWPTAHGK
3KBR Chain:A ((5-236))
--------------------------ESRLDRILESGVLRVATTGDYKPFSYRTEEGGYAGFDVDMAQRLAESLGAKLVVVPTSWPNLMRDFADDRFDIAMSGISINLERQRQAYFSIPYLRDGKTPITLCSEEARFQTLEQIDQPGVTAIVNPGGTNEKFARANLKKARILVHPDNVTIFQQIVDGKADLMMTDAIEARLQSRLHPELCAVHP-QPFDFAEKAYLLPRDEAFKRYVDQWLHIAEQSGLLRQRMEHWL----------
General information:
TITO was launched using:
RESULT:
Template:
3KBR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -128190 for 1866 contacts (-68.7/contact) +
2D Compatibility (PS) -26049 + (NN) -14406 + (LL) 3416
1D Compatibility (HY) -31200 + (ID) 11550
Total energy: -207979.0 ( -111.46 by residue)
QMean score : 0.605
(partial model without unconserved sides chains):
PDB file :
Tito_3KBR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KBR-query.scw
PDB file :
Tito_Scwrl_3KBR.pdb
: