Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIKSAEEIQRMSVAGALTAKVLEALDEVVRPGISTAEIDRFCERYIVDTLAAIPGSKGQYGYPFTVNTSVNEVVCHGWPSAQQILRDGDIVNVDVTVIKDGYFGDSSKMYRVGAIDRQAQKLLDVTRECLYRAIRVVRPDATLGDIGHAIQSHAEANGYSVVREYCGHGIGRKMHEAPQVLHFGRAGAGARLKAGMTFTIEPMINQGGHAVKLHKDGWTVTTRDRRLSAQYEHTVLVTERGCRVLTLRDEEREALADLAG
2GU4 Chain:B ((4-253))
-IKTPEDIEKMRVAGRLAAEVLEMIEPYVKPGVSTGELDRICNDYIVNEQHAVSACLGYHGYPKSVCISINEVVCHGIPDDAKLLKDGDIVNIDVTVIKDGFHGDTSKMFIVGKPTIMGERLCRITQESLYLALRMVKPGINLREIGAAIQKFVEAEGFSVVREYCGHGIGRGFHEEPQVLHYDSRETNVVLKPGMTFTIEPMVNAGKKEIRTMKDGWTVKTKDRSLSAQYEHTIVVTDNGCEILTLRKDD---------
General information:
TITO was launched using:
RESULT:
Template:
2GU4.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -130392 for 2186 contacts (-59.6/contact) +
2D Compatibility (PS) -27350 + (NN) -10040 + (LL) 948
1D Compatibility (HY) -27600 + (ID) 6900
Total energy: -201334.0 ( -92.10 by residue)
QMean score : 0.455
(partial model without unconserved sides chains):
PDB file :
Tito_2GU4.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2GU4-query.scw
PDB file :
Tito_Scwrl_2GU4.pdb
: