Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLQVSVYRYNPDKDAAPYMQDFQVDTN-GKDVMVLDVLALIKEQDEGFSYRRSCREGVCGSDGMNINGKNGLACITPLSAAGLKGGKLVIRPLPGLPVIRDLVVDMSIFYKQYEKVKPFLQND-TPAPAIERLQTPEEREKLDGLYECILCACCSTSCPSFWWNPDKFLGPAALLQAYRFLADSRDTKTEERLASLDDPFSVFRCRGIMNCVNVCPKGLNPTKAIGHVRNMLLQSGT
1NEK Chain:B ((3-235))
-LEFSIYRYNPDVDDAPRMQDYTLEADEGRDMMLLDALIQLKEKDPSLSFRRSCREGVCGSDGLNMNGKNGLACITPISALNQPGKKIVIRPLPGLPVIRDLVVDMGQFYAQYEKIKPYLLNNGQNPPAREHLQMPEQREKLDGLYECILCACCSTSCPSFWWNPDKFIGPAGLLAAYRFLIDSRDTETDSRLDGLSDAFSVFRCHSIMNCVSVCPKGLNPTRAIGHIKSMLLQRNA
General information:
TITO was launched using:
RESULT:
Template:
1NEK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -133352 for 1801 contacts (-74.0/contact) +
2D Compatibility (PS) -24608 + (NN) -11148 + (LL) 208
1D Compatibility (HY) -30000 + (ID) 8300
Total energy: -207200.0 ( -115.05 by residue)
QMean score : 0.513
(partial model without unconserved sides chains):
PDB file :
Tito_1NEK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1NEK-query.scw
PDB file :
Tito_Scwrl_1NEK.pdb
: