Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSNPQYPTRLPCGSRVLDL-ARPHVMGILNVTPDSFSDGGRYDRLDDALRHAERMVLEGATLIDVGGESTRPGARSVSPTEELERVAPVVERIARELDVVISVDTSTPAVMRETARLGAGLINDVRSLQRDGAL-DAAVDSGLAVCLMHMRGEPQTMQDAPAYQDVVAEVGAFLQERVDACVAAGIDRERLLLDPGFGFAKTLEHNLVLFRHLQALHGLGLPLLVGVSRKSMIGKVLGREVDERLYGSLALAALALAKGARIIRVHDVAATVDVMRMISAVEMAD
3H21 Chain:B ((22-291))
----KWDYDLRCGEYTLNLNEKTLIMGILN-------DGGSYNEVDAAVRHAKEMRDEGAHIIDIGG----------SVEEEIKRVVPMIQAVSKEVKLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHNR-------DNMNYRNLMADMIADLYDSIKIAKDAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVLDLPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMAKMMDAM----
General information:
TITO was launched using:
RESULT:
Template:
3H21.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -208301 for 2171 contacts (-95.9/contact) +
2D Compatibility (PS) -28045 + (NN) -20011 + (LL) 1060
1D Compatibility (HY) -20400 + (ID) 5050
Total energy: -280747.0 ( -129.32 by residue)
QMean score : 0.620
(partial model without unconserved sides chains):
PDB file :
Tito_3H21.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3H21-query.scw
PDB file :
Tito_Scwrl_3H21.pdb
: