Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKTSNTKTPKPVLIAGPCVIESLENLRSIAIKLQPLANN-ERLDFYFKASFDKANRTSLESYRGPGLEKGLEMLQTIKDEFGYKILTDVHESYQASVAAKVADILQIPAFLCRQTDLIVEVSQTNAIVNIKKGQFMNPKDMQYSVLKALKTRDSSIQSPTYETALKNGVWLCERGSSFGYGNLVVDMRSLKIMREFAPVIFDATHSVQMPGGANGKSSGDSSFPPILPRAAAAVGIDGLFAETHIDPKNALSDGANMLKPDELEHLVTDMLKIQNLF
2NWS Chain:A ((3-256))
---------KFLVIAGPNAIESEELLLKVGEEIKRLSEKFKEVEFVFKSSFDKANRSSIHSFRGHGLEYGVKALRKVKEEFGLKITTDIHESWQAEPVAEVADIIQIPAFLCRQTDLLLAAAKTGRAVNVKKGQFLAPWDTK-NVVEKLKFGGA------------KEIYLTERGTTFGYNNLVVDFRSLPIMKQWAKVIYDATHSVQLPGGLGDKSGGMREFIFPLIRAAVAVGCDGVFMETHPEPEKALSDASTQLPLSQLEGIIEAILEIREVA
General information:
TITO was launched using:
RESULT:
Template:
2NWS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -114566 for 2239 contacts (-51.2/contact) +
2D Compatibility (PS) -27674 + (NN) -13224 + (LL) 1148
1D Compatibility (HY) -24000 + (ID) 6500
Total energy: -184816.0 ( -82.54 by residue)
QMean score : 0.567
(partial model without unconserved sides chains):
PDB file :
Tito_2NWS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2NWS-query.scw
PDB file :
Tito_Scwrl_2NWS.pdb
: