Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MFFRMLKEDIDTVFDQDPAARSYFEVILTYSGLHAIWAHRIAHALYKRKFYFLARLISQVSRFFTGIEIHPGATIGRRFFIDHGMGVVIGETCEIGNNVTVFQGVTL--------GGTGKEKGKRHPTIKDDALIATGAKVLGSITVGEGSKIGAGSVVLHDVPDFSTVVGIPGRVVVQNGKKVRRDLNHQDLPDPVADRFKSLEQQILELKAELEDRKERINQK
3Q1X Chain:A ((101-266))
---RTLKTDLIAAYAGDPAAPGLSLIIRCYPGFQAVIVYRIAHVLYECGERYYCREMMESVHSYTSIDIHPGASIKGHFFIDHGVGVVIGETAIIGEWCRIYQSVTLGAMHFQEEGGVIKRGTKRHPTVGDYVTIGTGAKVLGNIIVGSHVRIGANCWIDRDVDSNQTV--------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3Q1X.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -125278 for 1241 contacts (-100.9/contact) +
2D Compatibility (PS) -17193 + (NN) -6510 + (LL) 4276
1D Compatibility (HY) -12400 + (ID) 3650
Total energy: -160755.0 ( -129.54 by residue)
QMean score : 0.497
(partial model without unconserved sides chains):
PDB file :
Tito_3Q1X.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3Q1X-query.scw
PDB file :
Tito_Scwrl_3Q1X.pdb
: