Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDSHSPIATVAQALRRAERILVITGAGLSADSGMPTYRGLGGLYNGRTEEGLPIEAALSGPMLRRDPALCWKYLAELGKACLAARPNAGHEAIAELQKHKPECWVLTQNIDGFHRQAGSPAERLIEIHGELAPLYCQSCGAESGGLEEHLHGQLP--PRCAACGGVLRPPVVLFEEMLPEEAIDTLYRELRKGFDAVLVVGTTASFPYIVEPV----LRTRQAGGFTAEVNPGVTDLSERVDVKMTGRALDIMPQVVSHIYR
1M2K Chain:A ((7-242))
-----------KTIAESKYLVALTGAGVSAESGIPTFRGKDGLWNRYRPEELANPQAFA-----KDPEKVWKWYAWRMEKVFNAQPNKAHQAFAELERLGVLKCLITQNVDDLHERAGS--RNVIHLHGSLRVVRCTSC---NNSFEVESAPKIPPLPKCDKCGSLLRPGVVWAGEMLPPDVLDRAMREVERA-DVIIVAGTSA----VVQPAASLPLIVKQRGGAIIEINPDETPLTPIADYSLRGKAGEVMDELVRHVRK
General information:
TITO was launched using:
RESULT:
Template:
1M2K.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -103308 for 1909 contacts (-54.1/contact) +
2D Compatibility (PS) -24821 + (NN) -12070 + (LL) 1156
1D Compatibility (HY) -17200 + (ID) 4300
Total energy: -160543.0 ( -84.10 by residue)
QMean score : 0.395
(partial model without unconserved sides chains):
PDB file :
Tito_1M2K.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1M2K-query.scw
PDB file :
Tito_Scwrl_1M2K.pdb
: