Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDSHSPIATVAQALRRAERILVITGAGLSADSGMPTYRGLGGLYNGRTEEGLPIEAALSGPMLRRDPALCWKYLAELGKACLAARPNAGHEAIAE----LQKHKPECWVLTQNIDGFHRQAGSPAERLIEIHGELAPLYCQSCGA-------------------ESGGLEEHLHGQLPPRC--AACGGVLRPPVVLFEEMLPEEAIDTLYRELRKGFDAVLVVGTTA-SFP-YIVEPVLRTRQAGGFTAEVNPGVTDLSERVDVKMTGRALDIMPQVVSHIYR
2NYR Chain:A ((7-271))
----SSMADFRKFFAKAKHIVIISGAGVSAESGVPTFRGAGGYWRKWQAQDLATPLAFA-----HNPSRVWEFYHYRREVMGSKEPNAGHRAIAECETRLGKQGRRVVVITQNIDELHRKAGT--KNLLEIHGSLFKTRCTSCGVVAENYKSPICPALSGKGAPEPGTQDASIPVEKLPRCEEAGCGGLLRPHVVWFGENLDPAILEEVDRELAH-CDLCLVVGTSSVVYPAAMFAPQVAAR--GVPVAEFNTE--------RFHFQGPCGTTLPEALA----
General information:
TITO was launched using:
RESULT:
Template:
2NYR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -126280 for 1822 contacts (-69.3/contact) +
2D Compatibility (PS) -25257 + (NN) -13820 + (LL) 1568
1D Compatibility (HY) -17200 + (ID) 4400
Total energy: -185389.0 ( -101.75 by residue)
QMean score : 0.454
(partial model without unconserved sides chains):
PDB file :
Tito_2NYR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2NYR-query.scw
PDB file :
Tito_Scwrl_2NYR.pdb
: