Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRVYENKEELKKEISKTFEKYIMEFNNIPENLKDKRIDEVDRTPAENLSYQVGWTNLVLKWEEDERKGLQVKTPSDKFKWNQLGELYQWFTDTYAHLSLQELKAKLNENINSIYAMIDLLSEEELFEAHMRKWADEATKTATWEVYKFIHVNTVAPFGTFRTKIRKWKKIVL
1RXQ Chain:A ((22-174))
----EQKDKWIQVLEEVPAKLKQAVEVMTDSQLDTPYRDGGWTVRQVVHHLADSHMNSYIRFKLSLTEETPAIRP--YDEKAW-----SELKDSKTADPSGSLALLQELHGRWTALLRTLTDQQFKRGFYHPDTKE-----IITLENALGL-YVWHSHHHIAHITELSRRMG
General information:
TITO was launched using:
RESULT:
Template:
1RXQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -12469 for 1096 contacts (-11.4/contact) +
2D Compatibility (PS) -15690 + (NN) -1393 + (LL) 1276
1D Compatibility (HY) 2400 + (ID) 650
Total energy: -26526.0 ( -24.20 by residue)
QMean score : 0.434
(partial model without unconserved sides chains):
PDB file :
Tito_1RXQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1RXQ-query.scw
PDB file :
Tito_Scwrl_1RXQ.pdb
: