Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLQVSVYRYNPDKDA-APYMQDFQVDTNGKDVMVLDVLALIK-EQDEGFSYRRSCREGVCGSDGMNINGKNGLACITPLSAAGLKGGKLVIRPLPGLPVIRDLVVDMSIFYKQYEKVKPFLQ--NDTPAPAIERLQTPEEREKLDGLYECILCACCSTSCPSFWWNPDKFLGPAALLQAYRFLADSRDTKTEERLASLDDPFSVFRCRGIMNCVNVCPKGLNPTKAIGHVRNMLLQSGT
3AED Chain:B ((13-242))
--KFAIYRWDPDKTGDKPHMQTYEIDLNNCGPMVLDALIKIKNEIDSTLTFRRSCREGICGSCAMNINGGNTLACTRRIDTNLDKVSK--IYPLPHMYVIKDLVPDLSNFYAQYKSIEPYLKKKDESQEGKQQYLQSIEEREKLDGLYECILCACCSTSCPSYWWNGDKYLGPAVLMQAYRWMIDSRDDFTEERLAKLQDPFSLYRCHTIMNCTGTCPKGLNPGKAIAEIKKMMATYKE
General information:
TITO was launched using:
RESULT:
Template:
3AED.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -112915 for 1716 contacts (-65.8/contact) +
2D Compatibility (PS) -24108 + (NN) -15879 + (LL) 752
1D Compatibility (HY) -24400 + (ID) 6450
Total energy: -183000.0 ( -106.64 by residue)
QMean score : 0.475
(partial model without unconserved sides chains):
PDB file :
Tito_3AED.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3AED-query.scw
PDB file :
Tito_Scwrl_3AED.pdb
: