Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTGHHGWGYGQDDGPSHWHKLYPIAQGDRQSPINIISSQAVYSPSLQPLELS-YEAC--MSLSITNNGHSVQVDFNDSDDRTVVTGGPLEGPYRLKQFHFHWGKKHD-VGSEHTVDGKSFPSELHLVHWNAKKYSTFGEAASAPDGLAVVGVFLETGDEHPSMNRLTDALYMVRFKGTKAQFSCFNPKCLLPASR-HYWTYPGSLTTPPLSESVTWIVLREPICISERQMGKFRSLLFTS-ED-DERIHMVNNFRPPQPLKGRVVKASFRA
4HT2 Chain:A ((3-263))
-----KWTYFGPDGENSWSKKYPSCGGLLQSPIDLHSDILQYDASLTPLEFQGYNLSANKQFLLTNNGHSVKLNLPSD---MHIQG--LQSRYSATQLHLHWGNPNDPHGSEHTVSGQHFAAELHIVHYNSDLYPDASTASNKSEGLAVLAVLIEMGSFNPSYDKIFSHLQHVKYKGQEAFVPGFNIEELLPERTAEYYRYRGSLTTPPCNPTVLWTVFRNPVQISQEQLLALETALYCTHMDDPSPREMINNFRQVQKFDERLVYTSFSQ
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) -109337 for 2050 contacts (-53.3/contact) +
2D Compatibility (PS) -27600 + (NN) -13536 + (LL) -188
1D Compatibility (HY) -19200 + (ID) 5050
Total energy: -174911.0 ( -85.32 by residue)
QMean score : 0.524
(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
: