Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSFILEVGSLADWVSGLATVGALFWAIKLNSNENRKRLTILFRHSFVSKKNGIIISDGKPKVFIITPVNNSKFSLEINFRQILLVPSLMDRLLFRAEPKKLSNIEALLKQLENKANWQIIKPNLS-----GEPIMFDYEFIVKQIKKYADGKRFNFAIEIQFIDSTSKIFKHKEKLELRKIKGL
3MCU Chain:A ((122-187))
-------------------------------------------------------------------------------KPVVLAVSTNDAL-GL-NGV---NLM----RLMATKNIYFVPFGQDAPEKKPNSMVARMELLEDTVLEALQGKQL------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3MCU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -12551 for 374 contacts (-33.6/contact) +
2D Compatibility (PS) -6470 + (NN) -2973 + (LL) 9380
1D Compatibility (HY) -3200 + (ID) 500
Total energy: -16314.0 ( -43.62 by residue)
QMean score : 0.303
(partial model without unconserved sides chains):
PDB file :
Tito_3MCU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3MCU-query.scw
PDB file :
Tito_Scwrl_3MCU.pdb
: