Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKADKALLIVDMINNFEFDMGETLAKKTEKIVPHILSLKEHARQNEWPIIYINDHYGLWQADIKNIQQEC--TNERSKDIITKIAPVDADYFLIKPKHSAFYETALHTLLTELQVRHIIITGIAGNICVLFTANDAYMREYSITIPKDCIASNSDEDNEFALTMMENVLFAEITTEEQIIEK
3TG2 Chain:A ((24-203))
IDASRAVLLIHNMQEYFVHYFDS-QAEPIPSLIKHIQQLKAHAKQAGIPVVYTAQPANQDPAERALLSDFWGPGLSEETAIIAPLAPESGDVQLTKWRYSAFKKSPLLDWLRETGRDQLIITGVYAHIGILSTALDAFMFDIQPFVIGDGVADFSLSDHEFSLRYISG-RTGAVKSTQQACL-
General information:
TITO was launched using:
RESULT:
Template:
3TG2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -123294 for 1436 contacts (-85.9/contact) +
2D Compatibility (PS) -18689 + (NN) -3930 + (LL) 308
1D Compatibility (HY) -8400 + (ID) 2400
Total energy: -156405.0 ( -108.92 by residue)
QMean score : 0.378
(partial model without unconserved sides chains):
PDB file :
Tito_3TG2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TG2-query.scw
PDB file :
Tito_Scwrl_3TG2.pdb
: