Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKLKSFVTATLALGLLSTVGAALPSHEASADSNNGYKELTMDGKHTVPYTISVDG-IT-ALHRTYFVFPENKKVLYQEIDSKVKNELASQRGVTTEKINNAQTATYTLTLNDGNKKVVNLKKN---DDAKNSIDPSTIKQIQIVVK
2RDG Chain:A ((98-196))
-------------------------------------------VQNVNLLVSKSTGQHTTSVTSTNYSIYKEEISLKELDFKLRKHLIDKHDLYKTE---PKDSKIRVTMKNGDFYTFELNKKLQTHRMGDVIDGRNIEKIEVNL-
General information:
TITO was launched using:
RESULT:
Template:
2RDG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -20897 for 611 contacts (-34.2/contact) +
2D Compatibility (PS) -10496 + (NN) -3024 + (LL) 2600
1D Compatibility (HY) -4400 + (ID) 700
Total energy: -36917.0 ( -60.42 by residue)
QMean score : 0.606
(partial model without unconserved sides chains):
PDB file :
Tito_2RDG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2RDG-query.scw
PDB file :
Tito_Scwrl_2RDG.pdb
: