Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTASEEKFTRQTLLDVQPLTPNLFTLRTSRDAGFRFRAGQFARLGVYKPSGSIVWRAYSMVSAPHDEFLDFFSIVVPDGEFTSELSRLREGDQLLVDRQAFGFLTLDRFVDGRDLWLLATGTGVAPFVSILQDFEVWERFESIKLVYSVRESKELAYRELIAGLAEREYLAEHAHKLQFIPVVTREQVPGCLNGRITTLIENGDLERAADLELTPEHSRVMLCGNPQMIEDTRAVLK-ARGMNLSLTRRPGQVAVENYW
3FPK Chain:A ((15-251))
---------------VQNWTDALFSL-TVHAPINPFTAGQFTKLGL-EIDGERVQRAYSYVNAPDNPNLEFYLVTVPQGKLSPRLAALKPGDEVQVVSDASGFFVLDEVPDCETLWMLATGTAIGPYLSILQYGQDVARFKNLVLVHAARFAADLSYLPLMLELQQR-----YEGKLRIQTVVSRENVPGSLTGRVPALIENGELEKAVGLPMDKETSHVMLCGNPQMVRDTQQLLKETRQMTKHLRRRPGHMTAEHYW
General information:
TITO was launched using:
RESULT:
Template:
3FPK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -188324 for 1944 contacts (-96.9/contact) +
2D Compatibility (PS) -25398 + (NN) -9595 + (LL) 2192
1D Compatibility (HY) -22000 + (ID) 5350
Total energy: -248475.0 ( -127.82 by residue)
QMean score : 0.584
(partial model without unconserved sides chains):
PDB file :
Tito_3FPK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3FPK-query.scw
PDB file :
Tito_Scwrl_3FPK.pdb
: