Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLQVSVYRYNPDKDAAPYMQDFQVDTN-GKDVMVLDVLALIKEQDEGFSYRRSCREGVCGSDGMNINGKNGLACITPLSAAGLKGGKLVIRPLPGLPVIRDLVVDMSIFYKQYEKVKPFLQND-TPAPAIERLQTPEEREKLDGLYECILCACCSTSCPSFWWNPDKFLGPAALLQAYRFLADSRDTKTEERLASLDDPFSVFRCRGIMNCVNVCPKGLNPTKAIGHVRNMLLQSGT
2WS3 Chain:F ((3-235))
-LEFSIYRYNPDVDDAPRMQDYTLEADEGRDMMLLDALIQLKEKDPSLSFRRSCREGVCGSDGLNMNGKNGLACITPISALNQPGKKIVIRPLPGLPVIRDLVVDMGQFYAQYEKIKPYLLNNGQNPPAREHLQMPEQREKLDGLYECILCACCSTSCPSFWWNPDKFIGPAGLLAAYRFLIDSRDTETDSRLDGLSDAFSVFRCHSIMNCVSVCPKGLNPTRAIGHIKSMLLQRNA
General information:
TITO was launched using:
RESULT:
Template:
2WS3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -130641 for 1802 contacts (-72.5/contact) +
2D Compatibility (PS) -24423 + (NN) -12904 + (LL) 208
1D Compatibility (HY) -30000 + (ID) 8300
Total energy: -206060.0 ( -114.35 by residue)
QMean score : 0.543
(partial model without unconserved sides chains):
PDB file :
Tito_2WS3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2WS3-query.scw
PDB file :
Tito_Scwrl_2WS3.pdb
: