Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGHALCVCSRGTVIIDNKRYLFIQKLGEGGFSYVDLVEGLHDGHFYALKRILCHEQQDREEAQREADMHRLFNHPNILRLVAYCLRERGAKHEAWLLLPFFKRGTLWNEIERLKDKGNFLTEDQILWLLLGICRGLEAIHAKGYAHRDLKPTNILLGDEGQPVLMDLGSMNQACIHVEGSRQALTLQDWAAQRCTISYRAPELFSVQSHCVIDERTDVWSLGCVLYAMMFGEGPYDMVFQKGDSVALAVQNQLSIPQSPRHSSALRQLLNSMMTVDPHQRPHIPLLLSQLEALQPPAPGQHTTQI
2BUJ Chain:A ((22-310))
----------HMVIIDNKHYLFIQKLGE--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) -202269 for 2205 contacts (-91.7/contact) +
2D Compatibility (PS) -31990 + (NN) -22276 + (LL) 1172
1D Compatibility (HY) -42800 + (ID) 14050
Total energy: -312213.0 ( -141.59 by residue)
QMean score : 0.586
(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
: