Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAPTDRRVRADAARNRARVLEVAYQTFAADGLSVPVDEIARRAGVGAGTVYRHFPTKEALFQAVIADRMHRIIDKGHALLKSKH-PGDALFAFLRSMVLQWGATDRGLVEA-L-AGVGIEISSAAPEAEAD-FLDLLTDLLRAA-QRAGTVRPDVDVLEVKTLLVGCQAMQSYNA------ELAAKVTDVALDGLRANRK----
2HKU Chain:A ((20-210))
-------------QTRDALFTAATELFLEHGEGVPITQICAAAGAHPNQVTYYYGSKERLFVEVACAAVLRAGKRAEDDAATAETVGDYTEKLVGSLLGPGAPSVELFTSAMLMTGRRSELRDLITDTLRTLHSSGEVALIRTLMRTGWQLRAGIDVESKAFWSAIFGLVIQKTATGESFGYSLEEAVAVIFANLQIPETVRNT
General information:
TITO was launched using:
RESULT:
Template:
2HKU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -77993 for 1305 contacts (-59.8/contact) +
2D Compatibility (PS) -19375 + (NN) -10759 + (LL) 1036
1D Compatibility (HY) -800 + (ID) 1550
Total energy: -109441.0 ( -83.86 by residue)
QMean score : 0.533
(partial model without unconserved sides chains):
PDB file :
Tito_2HKU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2HKU-query.scw
PDB file :
Tito_Scwrl_2HKU.pdb
: