Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
YRLGPLLGKGGFGTVFAGHRLTDRLQVAIKVIPRNRVLGWSP--LSD-SVTCPLEVALLWKVGAGGGHPGVIRLLDWFETQEGFMLVLERPLPAQDLFDYITEKGPLGEGPSRCFFGQVVAAIQHCHSRGVVHRDIKDENILIDLRRGCAKLIDFGSGALLHD-EPYTDFDGTRVYSPPEWISR-----HQYHALPATVWSLGILLYDMVCGDIPFERDQ------EILEAELHFPA----HVSPDCCALIRRCLAPKPSSRPSLEEILLDPWM
1PHK Chain:A ((19-287))
YEPKEILGRGVSSVVRRCIHKPTCKEYAVKIIDVTGGGSFSAEEVQELREATLKEVDILRKVS---GHPNIIQLKDTYETNTFFFLVFDLMKK-GELFDYLTEKVTLSEKETRKIMRALLEVICALHKLNIVHRDLKPENILLD-DDMNIKLTDFGFSCQLDPGEKLREVCGTPSYLAPEIIECSMNDNHPGYGKEVDMWSTGVIMYTLLAGSPPFWHRKQMLMLRMIMSGNYQFGSPEWDDYSDTVKDLVSRFLVVQPQKRYTAEEALAHPFF
General information:
TITO was launched using:
RESULT:
Template:
1PHK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -166392 for 1934 contacts (-86.0/contact) +
2D Compatibility (PS) -26293 + (NN) -12311 + (LL) 120
1D Compatibility (HY) -16800 + (ID) 4000
Total energy: -225676.0 ( -116.69 by residue)
QMean score : 0.382
(partial model without unconserved sides chains):
PDB file :
Tito_1PHK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1PHK-query.scw
PDB file :
Tito_Scwrl_1PHK.pdb
: