Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQKYEKLEKIGEGTYGTVFKAKNRETHEIVALKRVRLDDDDEGVPSSALREICLLKELKHKNIVRLHDVLHSDKKLTLVFEFCDQDLKKYFDSCNGDLDP-EIVKSFLFQLLKGLGFCHSRNVLHRDLKPQNLLINRNGELKLADFGLARAFGIPVRCYSAEVVTLWYRPPDVLFGAKLYSTSIDMWSAGCIFAELANAGRPLFPGNDVDDQLKRIFRLLGTPTEEQWPSMTKLPDYKP-YPMYPATTSLVNVVPKLNATGRDLLQNLLKCNPVQRISAEEALQHPYFSDFCPP
3TI1 Chain:A ((1-292))
MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIR----TEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTR-RALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKW-ARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKP
General information:
TITO was launched using:
RESULT:
Template:
3TI1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -163996 for 2262 contacts (-72.5/contact) +
2D Compatibility (PS) -30556 + (NN) -18138 + (LL) -364
1D Compatibility (HY) -35200 + (ID) 8700
Total energy: -256954.0 ( -113.60 by residue)
QMean score : 0.539
(partial model without unconserved sides chains):
PDB file :
Tito_3TI1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TI1-query.scw
PDB file :
Tito_Scwrl_3TI1.pdb
: