Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDSEKIELIFEKLKQSNPIP---KIELSYTNHFTLLVAIVLSARTTDVSVNKITKELFSIANTPEKMLNLGQSELKKHISSIGLYNSKAKNIIELSRILVERHTSKVPTNFDDLVSLPGVGRKSANVFLNSGLGIPTLAVDTHVFRVSNKIGLVKEK----DVFKTEKSLLNVVPKKYLLYAHHWLVLHGRYVCKAQKPSCKTCIIHDLCEFECKRYKV
1KEA Chain:A ((9-219))
-----RKVFVSTILTFWNTDRRDFPWRHTRDPYVILITEILLRRTTAGHVKKIYDKFFVKYKCFEDILKTPKSEIAKDIKEIGLSNQRAEQLKELARVVINDYGGRVPRNRKAILDLPGVGKYTCAAVMCLAFGKKAAMVDANFVRVINRYFGGSYENLNYNHKALWELAETLVPGGKCRDFNLGLMDFSAIICAPRKPKCEKCGMSKLCSYYEKC---
General information:
TITO was launched using:
RESULT:
Template:
1KEA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -102189 for 1567 contacts (-65.2/contact) +
2D Compatibility (PS) -20952 + (NN) -7674 + (LL) 620
1D Compatibility (HY) -9600 + (ID) 2400
Total energy: -142195.0 ( -90.74 by residue)
QMean score : 0.427
(partial model without unconserved sides chains):
PDB file :
Tito_1KEA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1KEA-query.scw
PDB file :
Tito_Scwrl_1KEA.pdb
: