Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSQITFKKVGLDNVNILQNLAIETFRQTFSHDNSEEQLQAFFNESYTLPVLKSEITHAESDTYFVYL---DTDLVGYLKVNWGSQQTEKDLDKAFEIQRIYLLDAYQGKGIGKATFEFALDLAYKSGLDWA-WLGVWEFNHKAQAFYAKYGFEKFSEHQFSVGDKVDTDWLLRKSLH----
2CY2 Chain:A ((1-174))
---VRIRRAGLEDLPGVARVLVDTWRATYRGVVPEAFLEGL-SYEGQAERWAQRLKTPTWPGRLFVAESESGEVVGFAAF--GPDRASGFPGYTAELWAIYVLPTWQRKGLGRALFHEGARLLQAEGYG-RMLVWVLKENPKGRGFYEHLGGVLLGEREIELGGAKLWEVAYGFDLGGHKW
General information:
TITO was launched using:
RESULT:
Template:
2CY2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -66609 for 1241 contacts (-53.7/contact) +
2D Compatibility (PS) -18028 + (NN) -5150 + (LL) 664
1D Compatibility (HY) -10400 + (ID) 1550
Total energy: -101073.0 ( -81.44 by residue)
QMean score : 0.384
(partial model without unconserved sides chains):
PDB file :
Tito_2CY2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2CY2-query.scw
PDB file :
Tito_Scwrl_2CY2.pdb
: