Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTPQARPARRADVRELSRTMARAFYDDPVMSWLLSNDNARTARLTRLFATIVRHQHLAGGGVEVARGAAGIGGAALWDPPDRWRESRRQQLAMTPGFLRVFGFRTAKARAALDVMMRVHPEEPHWYLAAIGSDPTVRGQGFGQVLMRSRLDRC---DAEHCPAYLESTKPENVPYYQRFGFRVTREIAL--PDAGPPLWAMWREPR
2FIA Chain:A ((1-157))
--MKIRVADEKELPMILQFLTEVKAYMDVV------------------------------------------GITQWTKDYPSQGDIQEDITKKRLYLLVHE-----EMIFSMATFCMEQEQDFVWLKRFATSPNYIAKGYGSLLFHELEKRAVWEGRRKMYAQTNHTNHRMIRFFESKGFTKIHESLQMNRLDFGSFYLYVKELE
General information:
TITO was launched using:
RESULT:
Template:
2FIA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -38154 for 1112 contacts (-34.3/contact) +
2D Compatibility (PS) -16135 + (NN) -4838 + (LL) 3556
1D Compatibility (HY) -5200 + (ID) 1000
Total energy: -61771.0 ( -55.55 by residue)
QMean score : 0.332
(partial model without unconserved sides chains):
PDB file :
Tito_2FIA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2FIA-query.scw
PDB file :
Tito_Scwrl_2FIA.pdb
: