Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRVAVLSGAGISAESGVPTFRDDKNGLWARFDPYELSSTQGWLRNPERVWGWYLWRHYLVANVEPNDGHRAIAAWQDH-----AEVSVITQNVDDLHERAGSGAVHHLHGSLFEFRCARCGV-------PYTDAL-------PEMPEPAIEVEP-PVCD---CGGLIRPDIVWFGEPLPEEPWRSAVEATGSADVMVVVGTSAIVYPAAGLPDLALARGTAVIEVNPEPTPLSGSATISIRESASQALPGLLERLPALLK
2NYR Chain:B ((22-270))
--IVIISGAGVSAESGVPTFRG-AGGYWRKWQAQDLATPLAFAHNPSRVWEFYHYRREVMGSKEPNAGHRAIAECETRLGKQGRRVVVITQNIDELHRKAGTKNLLEIHGSLFKTRCTSCGVVAENYKSPICPALSGKGAPEPGTQDASIPVEKLPRCEEAGCGGLLRPHVVWFGENLDPAILEEVDRELAHCDLCLVVGTSSVVYPAAMFAPQVAARGVPVAEFNT---------RFHFQGPCGTTLPEAL--------
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) -112709 for 1728 contacts (-65.2/contact) +
2D Compatibility (PS) -23543 + (NN) -12391 + (LL) 1000
1D Compatibility (HY) -19200 + (ID) 4750
Total energy: -171593.0 ( -99.30 by residue)
QMean score : 0.522
(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
: