Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
SHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVS-YDQAT--SLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDG-QGSEHTVDKKKYAAELHLVHWNT-KYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESL-DYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNG--EGEPEELMVDNWRPAQPLKNRQIKASFK
4HT2 Chain:A ((3-262))
--KWTYFGPDGENSWSKKYPSCGGLLQSPIDLHSDILQYDASLTPLEFQGYNLSANKQFLLTNNGHSVKLNLPSD---MHIQG--LQSRYSATQLHLHWGNPNDPHGSEHTVSGQHFAAELHIVHYNSDLYPDASTASNKSEGLAVLAVLIEMGSFNPSYDKIFSHLQHVKYKGQEAFVPGFNIEELLPERTAEYYRYRGSLTTPPCNPTVLWTVFRNPVQISQEQLLALETALYCTHMDDPSPREMINNFRQVQKFDERLVYTSFS
General information:
TITO was launched using:
RESULT:
Template:
4HT2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -116958 for 2034 contacts (-57.5/contact) +
2D Compatibility (PS) -26552 + (NN) -11202 + (LL) -188
1D Compatibility (HY) -20400 + (ID) 4500
Total energy: -179800.0 ( -88.40 by residue)
QMean score : 0.743
(partial model without unconserved sides chains):
PDB file :
Tito_4HT2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4HT2-query.scw
PDB file :
Tito_Scwrl_4HT2.pdb
: