Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQTIKCVVVGDGAVGKTCLLISYTTNKFPSEYVPTVFDNYAVTVMIGGEPYTLGLFDTAGQEDYDRLRPLSYPQTDVFLVCFSVVSPSSFENVKEKWVPEITHHCPKTPFLLVGTQIDLRDDPSTIEKLAKNKQKPITPETAEKLARDLKAVKYVECSALTQKGLKNVFDEAILAALEPPEPKKSRRCVLL
3REG Chain:A ((22-191))
-KALKIVVVGDGAVGKTCLLLAFSKGEIPTAYVPTVFENFSHVMKYKNEEFILHLWDTAGQEEYDRLRPLSYADSDVVLLCFAVNNRTSFDNISTKWEPEIKHYIDTAKTVLVGLKVDLRKDG----------SDDVTKQEGDDLCQKLGCVAYIEASSVAKIGLNEVFEKSVDCIFSNKP----------
General information:
TITO was launched using:
RESULT:
Template:
3REG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -139199 for 1397 contacts (-99.6/contact) +
2D Compatibility (PS) -18255 + (NN) -8772 + (LL) 1732
1D Compatibility (HY) -19600 + (ID) 3700
Total energy: -187794.0 ( -134.43 by residue)
QMean score : 0.594
(partial model without unconserved sides chains):
PDB file :
Tito_3REG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3REG-query.scw
PDB file :
Tito_Scwrl_3REG.pdb
: