Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRSPNLEKEETEIIETLLVREKMRLCPLYWRILAFLIDSLLVAFLLSDLLRACAFLHSLYWLTNPIYYSAFVVMGFIILYGVYEIFFVCLCKMSLAKLVFRIKIID---IYLADC--------PSRAILLKRLGLKIVVFLCP-FLWFVVFKNPYHRAWHEEKSKSLLVLF
2X2N Chain:A ((19-108))
----------------------------------------------------------------PVYPVTVPILGHIIQFGKSPLGFMQECKRQLKSGIFTINIVGKRVTIVGDPHEHSRFFLPRNEVLSPR---EVYSFMVPVFGEGVAYAAPYPRMREQLNFLAEELTI
General information:
TITO was launched using:
RESULT:
Template:
2X2N.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -56235 for 411 contacts (-136.8/contact) +
2D Compatibility (PS) -7506 + (NN) 4161 + (LL) 6940
1D Compatibility (HY) -4800 + (ID) 1200
Total energy: -58640.0 ( -142.68 by residue)
QMean score : 0.159
(partial model without unconserved sides chains):
PDB file :
Tito_2X2N.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2X2N-query.scw
PDB file :
Tito_Scwrl_2X2N.pdb
: