Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQKYEKLEKIGEGTYGTVFKAKNRETHEIVALKRVRLDDDDEGVPSSALREICLLKELKHKNIVRLHDVLHSDKKLTLVFEFCDQDLKKYFDSCNGDLDP-EIVKSFLFQLLKGLGFCHSRNVLHRDLKPQNLLINRNGELKLADFGLARAFGIPVRCYSAEVVTLWYRPPDVLFGAKLYSTSIDMWSAGCIFAELANAGRPLFPGNDVDDQLKRIFRLLGTPTEEQWPSMTKLPDYKP-YPMYPATTSLVNVVPKLNATGRDLLQNLLKCNPVQRISAEEALQHPYFSDFCPP
2I40 Chain:A ((1-292))
MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRL---TEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTY---VVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTR-RALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKW-ARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKP
General information:
TITO was launched using:
RESULT:
Template:
2I40.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -169881 for 2223 contacts (-76.4/contact) +
2D Compatibility (PS) -30312 + (NN) -16230 + (LL) -320
1D Compatibility (HY) -35600 + (ID) 8700
Total energy: -261043.0 ( -117.43 by residue)
QMean score : 0.568
(partial model without unconserved sides chains):
PDB file :
Tito_2I40.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2I40-query.scw
PDB file :
Tito_Scwrl_2I40.pdb
: