Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSQLDSRSASARIRVFDQQRAEAAVRELLYAIGEDPDRDGLVATPSRVARSY-REMFAGL-YTDPDSVLNTMFDEDHDELVLVKEIPMYSTCEHHLVAFHGVAHVGYIPGDDGRVTGLSKIARLVDLYAKRPQVQERLTSQIADALMKKLDPRGVIVVIEAEHLCMAMRGVRKPGSVTTTSAVRGLFKTNAASRAEALDLILRK
4DU6 Chain:E ((40-216))
-------------------RIQAHMTEVMHLLNLDLTDDSLADTPRRIAKMYVDEIFSGLDYENFPKITLIQNKMKVDEMVTVRDITLTSTCEHHFVTIDGKATVAYIPKDS--VIGLSKINRIVQFFAQRPQVQERLTQQILLALQTLLGTNNVAVSIDAVHYCVKARGIRDATSATTTTSLGGLFKSSQNTRQEFL------
General information:
TITO was launched using:
RESULT:
Template:
4DU6.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -79353 for 1281 contacts (-61.9/contact) +
2D Compatibility (PS) -19332 + (NN) -9750 + (LL) 2168
1D Compatibility (HY) -13600 + (ID) 3900
Total energy: -123767.0 ( -96.62 by residue)
QMean score : 0.442
(partial model without unconserved sides chains):
PDB file :
Tito_4DU6.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4DU6-query.scw
PDB file :
Tito_Scwrl_4DU6.pdb
: