Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQKFTQEEKEWFMTEALKEAKSSLEKEEIPIGCVIVKDGHIIGRGHNAREEFNKAILHAEIMAINNANEKVGNWRLLDTTLFVTVEPCVMCSGAIGLARIPHVIYGAKNTKFGAAGSLYDILSDSRLNHRVEVETGILEDQCAKIMQDFFRKGRQRKKEAKLSEKTKI
1WWR Chain:A ((23-168))
--------KEYFLKVALREAKRAFEKGEVPVGAIIVKEGEIISKAHNSVEELKDPTAHAEMLAIKEACRRLNTKYLEGCELYVTLEPCIMCSYALVLSRIEKVIFSALDKKHGGVVSVFNILDEPTLNHRVKWEYYPLE-EASELLSEFFKKLRNNII----------
General information:
TITO was launched using:
RESULT:
Template:
1WWR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -94921 for 1250 contacts (-75.9/contact) +
2D Compatibility (PS) -15984 + (NN) -5858 + (LL) 1684
1D Compatibility (HY) -14400 + (ID) 3150
Total energy: -132629.0 ( -106.10 by residue)
QMean score : 0.520
(partial model without unconserved sides chains):
PDB file :
Tito_1WWR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1WWR-query.scw
PDB file :
Tito_Scwrl_1WWR.pdb
: