Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSEKQVALYIAVSLDGYIADENGSVEWLESIDSEGDAGYEAFFDNVDTVVMGRTTYQQIFS-LT-D-----------------TFPY-----S-KKDVYVFSNTKAGTK---------DEYADFV-----AGTVDTWLNNID---GEKIWLVGGAKLVQQFLKERAIDRFVITIAPIILGKGI-P-LFEED------QEHALELEEVTRFGQFAQLTYKNLEEN
2AZN Chain:A ((2-219))
-KKPYIISNVGMTLDGKLATINNDSRIS-CEED--LIRVHKIRANVDGIMVGIGTVLKDDPRLTVHKIKSDRNPVRIVVDSKLRVPLNARVLNKDAKTIIATTEDTNEEKEKKIKILEDMGVEVVKCGRGKVDLKKLMDILYDKGIKSILLEGGGTLNWGMFKEGLVDEVSVYIAPKIFGGKEAPTYVDGEGFKTVDECVKLELKNFYRLGEGIVLEFKVKK--
General information:
TITO was launched using:
RESULT:
Template:
2AZN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -91266 for 1147 contacts (-79.6/contact) +
2D Compatibility (PS) -18092 + (NN) -1769 + (LL) 268
1D Compatibility (HY) -10000 + (ID) 1800
Total energy: -122659.0 ( -106.94 by residue)
QMean score : 0.500
(partial model without unconserved sides chains):
PDB file :
Tito_2AZN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AZN-query.scw
PDB file :
Tito_Scwrl_2AZN.pdb
: