Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MADKSKRPPRFDLKSADGSFGRLVQIGGTTIVVVFAVVLVFYIVTSRDDKKDGVAGPGDAVRVTSSKLVTQPGTSNPKAVVSFYEDFLCPACGIFERGFGPTVS-KLVDIGAVAADYTMVAILDSASNQHYSSRAAAAAYCVADESIEAFRRFHAALFSKDIQPAELGKDFPDNARLIELARE-AGVV-GKVPDCINSGKYIEKVDG---LAAAVNVHATPTVRVNGTEYEWS-TPAALVAKIKEIVGDVPGIDSAAATATS
3GHA Chain:A ((22-194))
---------------------------------------------------------------------PVLGKDDAPVTVVEFGDYKCPSCKVFNSDIFPKIQKDFIDKGDVKFSFVNVMFHG-----KGSRLAALASEEVWKEDPDSFWDFHEKLFE--KQPDTEQ-EWVTPGLLGDLAKSTTKIKPETLKENLDKETFASQVEKDSDLNQKMNIQATPTIYVNDKVIKNFADYDEIKETIEKELKGK------------
General information:
TITO was launched using:
RESULT:
Template:
3GHA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -107455 for 1295 contacts (-83.0/contact) +
2D Compatibility (PS) -17610 + (NN) -6080 + (LL) 4676
1D Compatibility (HY) -6800 + (ID) 1900
Total energy: -135169.0 ( -104.38 by residue)
QMean score : 0.459
(partial model without unconserved sides chains):
PDB file :
Tito_3GHA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3GHA-query.scw
PDB file :
Tito_Scwrl_3GHA.pdb
: