Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MFDVTILTIFPEMFPGFLNYSLAGKALEKKIWNLQVINIRFFAKDRHLTVDHIPYGGGAGMIMRPDVVGDAVDSVLSTHKDTK-FIYMTPSGTKFDQSIARELVGFPHITILCGRFEGIDQRVIDEYTPYELSIGDYILSGGEPAAMVILDVCVRLLPGVVNNSGSITEESFSYSGGVLEYPQYTRPKQWRKHRVPKILLSGNHKKISDWRQKQSQVITKRRRPELLDGEINDKFT
4MCB Chain:A ((3-219))
---IGVISLFPEMFKAITEFGVTGRAVKHNLLKVECWNPRDFTFDKHKTVDDRPYGGGPGMLMMVQPLRDAIHTAKAAAGEGAKVIYLSPQGRKLDQGGVTELAQNQKLILVCGRYEGIDERLIQTEIDEEWSIGDYVLTGGELPAMTLIDAVARFIPGVLG---------------LLDCPHYTRPEVLEGLTVPPVLMS-HHEEIRKWRLKQSLQRTWLR--------------
General information:
TITO was launched using:
RESULT:
Template:
4MCB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -184159 for 1447 contacts (-127.3/contact) +
2D Compatibility (PS) -21071 + (NN) -4055 + (LL) 612
1D Compatibility (HY) -17600 + (ID) 3950
Total energy: -230223.0 ( -159.10 by residue)
QMean score : 0.453
(partial model without unconserved sides chains):
PDB file :
Tito_4MCB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4MCB-query.scw
PDB file :
Tito_Scwrl_4MCB.pdb
: