Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
VTNELVYEGKAKRLFKTEEAGVLRVAYKDDATALNGVRKESFAGKGELNNQITSLIFSHLAEAGIESHFIRAISETEQLVKEVSIIPLEVVVRNVMAGSLAKRLGKEEGEQIPNAIVEFYYKDDALDDPFINDDHVLYLEVATTSEMDTIRQAARSINKVLQELFNQMNITLIDFKLEFGRDAAGEILLADEISPDTCRLWDKETNQKLDKDVFRRNIGNLTDVYTEVLNRLKQVQN
3NUA Chain:A ((9-237))
---EMLYEGKAKKIYATDKEDMVIVHYKDDATAFNGEKKAQIESKGVLNNEITSLIFEMLNKEGIKTHFVEKLNDRDQLCKKVEIVPLEVIVRNVAAGSMAKRLGLEEGYELKTTVFELSYKDDSLGDPLINDYHAVGIGATTFEELNKIYEITAKVNEILKEAFKKQNINLIDFKLEFGR-YNGEILLADEISPDTCRFWDATTGEKMDKDRFRRDMGNVINGYREVLNRLR----
General information:
TITO was launched using:
RESULT:
Template:
3NUA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -85331 for 1786 contacts (-47.8/contact) +
2D Compatibility (PS) -23659 + (NN) -2096 + (LL) 440
1D Compatibility (HY) -24000 + (ID) 6200
Total energy: -140846.0 ( -78.86 by residue)
QMean score : 0.397
(partial model without unconserved sides chains):
PDB file :
Tito_3NUA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NUA-query.scw
PDB file :
Tito_Scwrl_3NUA.pdb
: