Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGEKKLKAAVVLSGCGHLDGAEVREVVLSLLVLDQQ------EVEVKCFAPDINITQVVNHKTTEAVKEKRNVLVEAARVARSEICDLKEAKAEDFDMLVVPGGYGVAKNLSDLAEDKEVVTVIPEFERLVSEFFATKKPIGAICISPAIIVS--ILSSKTSKGESKIKVTIGDDREKLIEKLGGEHIKCDTGLSIEDEEHNVFSCSAYMR---RDESTYSVYQGIKHMIDSMVKKTNKRI
3GRA Chain:A ((5-188))
----PYRVDFIL-----LEHFSMASFTVAMDVLVTANLLRADSFQFTPLSLDGDRVLSDL-----------GLEL-------VATELSAAA-LKELDLLVVCGGLRTP--L-----------KYPELDRLLNDCAAHGMALGGLWNGAWFLGRAGVLDD--------YGCSIHPEQRASLSERSPQTRI-T-PASFT-LDRDRLSAASPNGAMELMLGLVRRLYG-DGLAEGVEEILS---
General information:
TITO was launched using:
RESULT:
Template:
3GRA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -117515 for 1489 contacts (-78.9/contact) +
2D Compatibility (PS) -18995 + (NN) -6155 + (LL) 3180
1D Compatibility (HY) -7200 + (ID) 1200
Total energy: -147885.0 ( -99.32 by residue)
QMean score : 0.358
(partial model without unconserved sides chains):
PDB file :
Tito_3GRA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3GRA-query.scw
PDB file :
Tito_Scwrl_3GRA.pdb
: