Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDSEKIELIFEKLKQSNPI---PKIELS--------YTNHFTLLVAIVLSARTTDVSVNKITKELFSIANTPEKMLNLGQSELKKHISSIGLYNSKAKNIIELSRILVERHTSKVPTNFDDLVS-LPGVGRKSANVFLNSGLGIPTLAVDTHVFRVSNKIGLVKEK-----DVFKTEKSLLNVVPKKYLLYAHHWLVLHGRYVCKAQKPSCKTCIIHDLCEFECKRYKV
3N5N Chain:X ((13-234))
---AEVTAFRGSLLSWYDQEKRDLPWRRRAEDEMDLDRRAYAVWVSEVMLQQTQVATVINYYTGWMQKWPTLQDLASASLEEVNQLWAGLGYYS-RGRRLQEGARKVVEELGGHMPRTAETLQQLLPGVGRYTAGAIASIAFGQATGVVDGNVARVLCRVRAIGADPSSTLVSQQLWGLAQQLVDPARPGDFNQAAMELGATVCTPQRPLCSQCPVESLCRARQRVEQE
General information:
TITO was launched using:
RESULT:
Template:
3N5N.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -106003 for 1609 contacts (-65.9/contact) +
2D Compatibility (PS) -21493 + (NN) -11208 + (LL) 76
1D Compatibility (HY) -2400 + (ID) 1950
Total energy: -142978.0 ( -88.86 by residue)
QMean score : 0.461
(partial model without unconserved sides chains):
PDB file :
Tito_3N5N.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3N5N-query.scw
PDB file :
Tito_Scwrl_3N5N.pdb
: