Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDLAKGKEMGKLEGKIALIAGASGGMGSAVAKRFVREGAYVILISRSIDNLKQLYDEIEKLDEFKEGSVKLIQLDLLDFENVKILANMIESLKLSESGALDILVACTGILGKLNLVHDCELEELQNVMNTNFTANWYLLKNLDPVLKKSN----SGRVIFMTSEVTLSPSSYPYWVPYAASKAALEIMVKIYASETKHTKLCVNAVYSEGPVDSEMYKQAFPGKDIS-EL-ILPNKLTDKFVELASEDCS-ISGQVLPLSKSLE
3N74 Chain:A ((1-249))
---------MSLEGKVALITGAGSGFGEGMAKRFAKGGAKVVIVDRDKAGAERVAGEI-------GDAALAVAADISKEADVDAAVEAAL----SKFGKVDILVNNAGIGHKPQNAELVEPEEFDRIVGVNVRGVYLMTSKLIPHFKENGAKGQECVILNVASTGAGRP--RPNLAWYNATKGWVVSVTKALAIELAPAKIRVVA-LNPV---------------IPMGRLLKPDDLAEAAAFLCSPQASMITGVALDVDGGRS
General information:
TITO was launched using:
RESULT:
Template:
3N74.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -172546 for 1886 contacts (-91.5/contact) +
2D Compatibility (PS) -23604 + (NN) -10118 + (LL) 2300
1D Compatibility (HY) -4400 + (ID) 3000
Total energy: -211368.0 ( -112.07 by residue)
QMean score : 0.495
(partial model without unconserved sides chains):
PDB file :
Tito_3N74.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3N74-query.scw
PDB file :
Tito_Scwrl_3N74.pdb
: