Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKTSNTKTPKPVLIAGPCVIESLENLRSIAIKLQPLANN-ERLDFYFKASFDKANRTSLESYRGPGLEKGLEMLQTIKDEFGYKILTDVHESYQASVAAKVADILQIPAFLCRQTDLIVEVSQTNAIVNIKKGQFMNPKDMQYSVLKALKTRDSSIQSPTYETALKNGVWLCERGSSFGYGNLVVDMRSLKIMREFAPVIFDATHSVQMPGGANGKSSGDSSFPPILPRAAAAVGIDGLFAETHIDPKNALSDGANMLKPDELEHLVTDMLKIQNLF
2A21 Chain:A ((3-256))
---------KFLVIAGPCAIESEELLLKVGEEIKRLSEKFKEVEFVFKSSFDKANRSSIHSFRGHGLEYGVKALRKVKEEFGLKITTDIHESWQAEPVAEVADIIQIPAFLCRQTDLLLAAAKTGRAVNVKKGQFLAPWDTK-NVVEKLKFGGA------------KEIYLTERGTTFGYNNLVVDFRSLPIMKQWAKVIYDATHSVQLPGGLGDKSGGMREFIFPLIRAAVAVGCDGVFMETHPEPEKALSDASTQLPLSQLEGIIEAILEIREVA
General information:
TITO was launched using:
RESULT:
Template:
2A21.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -119608 for 2235 contacts (-53.5/contact) +
2D Compatibility (PS) -27629 + (NN) -13184 + (LL) 1148
1D Compatibility (HY) -24800 + (ID) 6550
Total energy: -190623.0 ( -85.29 by residue)
QMean score : 0.572
(partial model without unconserved sides chains):
PDB file :
Tito_2A21.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2A21-query.scw
PDB file :
Tito_Scwrl_2A21.pdb
: