Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNAFTAPATGTPLVSFRQVRKHFAVDGRRLEAIQQFDLEIGEGEFIAIVGASGCGKSTLLRLLIGLDRDYDGEIRVDGRPIAGIGG-----ER--GIVFQEHRLFPWLTVQQNVALGLVNEALGETDKAARIDEYIRLVGLHGFERAYPHQLSGGMAQRVAIARGLVASPRLLLLDEPFSALDALTRQQLQEELLAIRRRTRITTLLVTHDVEEALYLADRVVVMEPRPGRIRRVVEVGLAHPRERGGFDFLRQREALLHELTADGEYVAPPPRRVENLPFEFIAC
3FVQ Chain:A ((9-217))
---------------------HLSKSFQNTPVLNDISLSLDPGEILFIIGASGCGKTTLLRCLAGFEQPDSGEISLSGKTIFSKNTNLPVRERRLGYLVQEGVLFPHLTVYRNIAYGLGNGKGRTAQERQRIEAMLELTGISELAGRYPHELSGGQQQRAALARALAPDPELILLDEPFSALDEQLRRQIREDMIAALRANGKSAVFVSHDREEALQYADRIAVM--KQGRILQTASPHELYRQPADLDAALFIGEGIVFPAALNADGTADCRLGRLPVQSGAPAG
General information:
TITO was launched using:
RESULT:
Template:
3FVQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -136959 for 1563 contacts (-87.6/contact) +
2D Compatibility (PS) -22155 + (NN) -12800 + (LL) 1408
1D Compatibility (HY) -15200 + (ID) 4400
Total energy: -190106.0 ( -121.63 by residue)
QMean score : 0.493
(partial model without unconserved sides chains):
PDB file :
Tito_3FVQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3FVQ-query.scw
PDB file :
Tito_Scwrl_3FVQ.pdb
: