Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNFYQKIYTHKVVFSSLFFLLFLFNVETLLFSHFSDDFSQLFFLFENHVYDFIIKLDYLGLIGVSSIYLLALILKPFTLTRQKCACIGILCLSFYAWNFPIKNSSIALYVFYFALLGTLLWRFLGASMKQSFLPSMNICVVWVFASSLQSFRFLSVSDCVDFSLFILALFLLILVLIYHKRLFGLYEYANTLILIVGLCVVVLCSSMFIQTKEYYGMRLGFYFLGLLGWLLEYIHNTLRRLEHKI-----
2B3W Chain:A ((1-168))
MPVRAQRIQH------------VMQDTIINFYSTSDDYGDFS--------------------------------------------------NFAAWPIKVDGKTWPTSEHYFQAQK-----FLDEKYREEIRRVSSPMVAARMGRDRSKPLRK------NWESVKEQVMRKALRAKFEQH-----AELRALLLATAPAKLVEHTE----NDAYWGDGGHGKGKNRLGYLLMELREQLAIEKLEHHHHHH
General information:
TITO was launched using:
RESULT:
Template:
2B3W.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -208605 for 1180 contacts (-176.8/contact) +
2D Compatibility (PS) -16971 + (NN) -5056 + (LL) 8212
1D Compatibility (HY) 3200 + (ID) 1250
Total energy: -220470.0 ( -186.84 by residue)
QMean score : 0.213
(partial model without unconserved sides chains):
PDB file :
Tito_2B3W.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2B3W-query.scw
PDB file :
Tito_Scwrl_2B3W.pdb
: