Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKVGVYGASGRIGKLLLEELKGGYKGLELSSVFVRQK---CETDFSSFSHAPL----VTNDLKAFVKACECVVDFSLPKGVDHLLDVLLECPKILVSGTTGLEKETLEKMQKLALKAPLLHAHNMSIGIMMLNQLAFLTSLKLKDA-DIEIVETHHNLKKDAPSGTALSLYETCTKARGYDEKNALITHREG---LRSKESIGIATLRGGDVAGKHTIGFYLEGEYIELSHTATNRSIFAKGALEVALWLKDKAAKKYEISEMFG
3IJP Chain:B ((22-285))
MRLTVVGANGRMGRELITAIQR-RKDVELCAVLVRKGSSFVDKDASILIGSDFLGVRITDDPESAFSNTEGILDFSQPQASVLYANYAAQKSLIHIIGTTGFSKTEEAQIADFAKYTTIVKSGNMSLGVNLLANLVKRAAKALDDDFDIEIYEMHHANKVDSPSGTALLLGQAAAEGRNIMLKNVSVNGRSGHTGKREKGTIGFACSRGGTVIGDHSITFAGENERIVLSHIAQERSIFANGALKAALWAKNHENGLYSMLDVLG
General information:
TITO was launched using:
RESULT:
Template:
3IJP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -156352 for 2048 contacts (-76.3/contact) +
2D Compatibility (PS) -27226 + (NN) -10255 + (LL) -172
1D Compatibility (HY) -11600 + (ID) 4650
Total energy: -210255.0 ( -102.66 by residue)
QMean score : 0.553
(partial model without unconserved sides chains):
PDB file :
Tito_3IJP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IJP-query.scw
PDB file :
Tito_Scwrl_3IJP.pdb
: