Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTPQARPARRADVRELSRTMARAFYDDPVMSWLLSNDNARTARLTRLFATIVRHQHLAGGGVEVARGAAGIGGAALWDPPDRWRESRRQQLAMTPGFLRVFGFRTAKARAALDVMMRVHPEEPHWYLAAIGSDPTVRGQGFGQVLMRSRLDRCDAEHCPAYLESTKPENVPYYQRFGFRVTREIALPDAGPPLWAMWREPR--
2KCW Chain:A ((1-147))
MVISIRRSRHEEGEELVAIWCRSVDATH--DFLSAEYRTELEDLVR--------SFLPEAPLWVAVNERD----------------------------QPVGFMLLSGQ----------------HMDALFIDPDVRGCGVGRVLVEHALSMAPELTTNVN--EQNEQAVGFYKKVGFKVTGRSEVDDLGKPYPLLNLAYVGA
General information:
TITO was launched using:
RESULT:
Template:
2KCW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -23819 for 1096 contacts (-21.7/contact) +
2D Compatibility (PS) -15151 + (NN) -3052 + (LL) 4680
1D Compatibility (HY) -7200 + (ID) 1700
Total energy: -46242.0 ( -42.19 by residue)
QMean score : 0.196
(partial model without unconserved sides chains):
PDB file :
Tito_2KCW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2KCW-query.scw
PDB file :
Tito_Scwrl_2KCW.pdb
: