Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGHALCVCSRGTVIIDNKRYLFIQKLGEGGFSYVDLVEGLHDGHFYALKRILCHEQQDREEAQREADMHRLFNHPNILRLVAYCLRERGAKHEAWLLLPFFKRGTLWNEIERLKDKGNFLTEDQILWLLLGICRGLEAIHAKGYAHRDLKPTNILLGDEGQPVLMDLGSMNQACIHVEGSRQALTLQDWAAQRCTISYRAPELFSVQSHCVIDERTDVWSLGCVLYAMMFGEGPYDMVFQKGDSVALAVQNQLSIPQSPRHSSALRQLLNSMMTVDPHQRPHIPLLLSQLEALQPPAPGQHTTQI
2BUJ Chain:A ((24-310))
------------VIIDNKHYLFIQKLGE--FSYVDLVEGLHDGHFYALKRILCHEQQDREEAQREADMHRLFNHPNILRLVAYCLRERGAKHEAWLLLPFFKRGTLWNEIERLKDKGNFLTEDQILWLLLGICRGLEAIHAKGYAHRDLKPTNILLGDEGQPVLMDLGSMNQACIHVEGSRQALTLQDWAAQRCTISYRAPELFSVQSHCVIDERTDVWSLGCVLYAMMFGEGPYDMVFQKGDSVALAVQNQ--IPQSPRHSSALWQLLNSMMTVDPHQRPHIPLLLSQLEALQPPAPG------
General information:
TITO was launched using:
RESULT:
Template:
2BUJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -202227 for 2191 contacts (-92.3/contact) +
2D Compatibility (PS) -31411 + (NN) -20183 + (LL) 1052
1D Compatibility (HY) -42800 + (ID) 14050
Total energy: -309619.0 ( -141.31 by residue)
QMean score : 0.584
(partial model without unconserved sides chains):
PDB file :
Tito_2BUJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2BUJ-query.scw
PDB file :
Tito_Scwrl_2BUJ.pdb
: