Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRYITVSGLTFQY-DSDPVLEGVNYHLDSGEFVTLTGENGAAKSTLIKATLGILTPKVGTVNISKENKEGKKLRIAYLPQQIASF-----NAGFPSSVYEFVKSG----RYPRNGWFRRLTKHDEEHIRVSLEAVGMWDNRHKKIGSLSGGQKQRAVIARMFASDPDIFVLDEPTTGMDAGTTEKFYELMHHNAHKHGKSVLMITHDPDEVKGYADRNIHLVRNQSLPWRCFNVHTNEMEVESDAT
3GFO Chain:A ((8-212))
---LKVEELNYNYSDGTHALKGINMNIKRGEVTAILGGNGVGKSTLFQNFNGILKPSSGRILFDNKPIDYSRKGIMKLRESIGIVFQDPDNQLFSASVYQDVSFGAVNMKLPEDEIRKRVDN--------ALKRTGIEHLKDKPTHCLSFGQKKRVAIAGVLVMEPKVLILDEPTAGLDPMGVSEIMKLLVEMQKELGITIIIATHDIDIVPLYCDNVFVMKEGRVILQGNPKEVFAEKEVIRKVN
General information:
TITO was launched using:
RESULT:
Template:
3GFO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -77443 for 1462 contacts (-53.0/contact) +
2D Compatibility (PS) -21629 + (NN) -13339 + (LL) 1116
1D Compatibility (HY) -14000 + (ID) 3050
Total energy: -128345.0 ( -87.79 by residue)
QMean score : 0.586
(partial model without unconserved sides chains):
PDB file :
Tito_3GFO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3GFO-query.scw
PDB file :
Tito_Scwrl_3GFO.pdb
: