Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLIPVYLGLGSNVE-RERHLHAGLDALAGFL--HDLRCSPVFESEPVGIK-SGPFFNLVVSARTDLPLAELSLRLKHIEA-DNGRYAPERKGLPLDIDVLFYGD-----LVGDFDGLVLPRAEVLKNAFVLWPLSELA-PNLEHPVARQPLGDLWREARIQ----QKLWPA-PF---------------EW-----RGQALTPEALLQAFPRSSL
2BMB Chain:A ((17-238))
-SWKRAFLAFGSNIGDRFKHIQMALQLLSREKTVKLRNISSIFESEPMYFKDQTPFMNGCVEVETLLTPSELLKLCKKIEYEELQ--------RTIDLDIVMFLNSAGEDIIVNEPDLNIPHPRMLERTFVLEPLCELISPVHLHPVTAEPIVDHLKQLYDKQHDEDTLWKLVPLPYRSGVEPRFLKFKTATKTNRITVSPTYIMAIFNATPDSFS
General information:
TITO was launched using:
RESULT:
Template:
2BMB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -92223 for 1185 contacts (-77.8/contact) +
2D Compatibility (PS) -18413 + (NN) -4130 + (LL) 500
1D Compatibility (HY) -11200 + (ID) 2600
Total energy: -128066.0 ( -108.07 by residue)
QMean score : 0.537
(partial model without unconserved sides chains):
PDB file :
Tito_2BMB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2BMB-query.scw
PDB file :
Tito_Scwrl_2BMB.pdb
: