Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MFIFKRKKQVEMPLEKIPAHIGIIMDGNGRWAKKRLKPRVMGHKAGMDALQEVTIAASGLGVKVLTVYAFSTENWSRPDDEVKFIMNLPVEFFDKYVPELDKNNVRVQVIGDTHKLPKATYDAMQRACLRTKHNSGLVLNFALNYGGRSEITNAIKEIAQDVLEAKLNPDDITEDLVANHLMTNSLPYLYRDPDLIIRTSGELRLSNFLPWQSAYSEFYFTPVLWPDFKKDELHKAIVDYNQRHRRFGSV
3WYI Chain:A ((18-247))
----------ELDSSNIPEHIAIIMDGNGRWAKKRKMPRIKGHYEGMQTIKKITRIASDIGVKYLTLYAFSTENWSRPESEVNYIMNLPVNFLKTFLPELIEKNVKVETIGFTDKLPKSTIEAINNAKEKTANNTGLKLIFAINYGGRAELVHSIKNMFDELHQQGLNSDIIDETYINNHLMTKDYP----DPELLIRTSGEQRISNFLIWQVSYSEFIFNQKLWPDFDEDELIKCIKIYQSRQ------
General information:
TITO was launched using:
RESULT:
Template:
3WYI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -90807 for 1832 contacts (-49.6/contact) +
2D Compatibility (PS) -24981 + (NN) -15120 + (LL) 2064
1D Compatibility (HY) -22800 + (ID) 6350
Total energy: -157994.0 ( -86.24 by residue)
QMean score : 0.595
(partial model without unconserved sides chains):
PDB file :
Tito_3WYI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3WYI-query.scw
PDB file :
Tito_Scwrl_3WYI.pdb
: