Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQKYEKLEKIGEGTYGTVFKAKNRETHEIVALKRVRLDDDDEGVPSSALREICLLKELKHKNIVRLHDVLHSDKKLTLVFEFCDQDLKKYFDSCNGDLDP-EIVKSFLFQLLKGLGFCHSRNVLHRDLKPQNLLINRNGELKLADFGLARAFGIPVRCYSAEVVTLWYRPPDVLFGAKLYSTSIDMWSAGCIFAELANAGRPLFPGNDVDDQLKRIFRLLGTPTEEQWPSMTKLPDYKP-YPMYPATTSLVNVVPKLNATGRDLLQNLLKCNPVQRISAEEALQHPYFSDFCPP
3LFQ Chain:A ((1-292))
MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIR---------STAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTR-RALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKW-ARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKP
General information:
TITO was launched using:
RESULT:
Template:
3LFQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -165415 for 2168 contacts (-76.3/contact) +
2D Compatibility (PS) -29877 + (NN) -15998 + (LL) -456
1D Compatibility (HY) -34800 + (ID) 8500
Total energy: -255046.0 ( -117.64 by residue)
QMean score : 0.567
(partial model without unconserved sides chains):
PDB file :
Tito_3LFQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3LFQ-query.scw
PDB file :
Tito_Scwrl_3LFQ.pdb
: