Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKFHVKQNNNLAVGEVDVYCHPDNLEEVTNIVMGIDEPTEKISVKKDGATYLLEPKAILYFEAVES--KIFVYTEKEIYEIHWKLYELEEKFKDSSFFRCSKSMILNIEWIEKIAPGFHGKFEAKLFNREKVIISRQYAKVLKQKLNMGGKRK
3BS1 Chain:A ((1-103))
----------------------------------MDNSVETIELKRGSNSVYVQYDDIMFFESSTKSHRLIAHLDNRQIEFYGNLKELSQLDD--RFFRCHNSFVVNRHNIESIDSK---ERIVYFKNKEHCYASVRNVKKI-----------
General information:
TITO was launched using:
RESULT:
Template:
3BS1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -74687 for 717 contacts (-104.2/contact) +
2D Compatibility (PS) -10656 + (NN) 1537 + (LL) 2548
1D Compatibility (HY) -5600 + (ID) 1200
Total energy: -88058.0 ( -122.81 by residue)
QMean score : 0.489
(partial model without unconserved sides chains):
PDB file :
Tito_3BS1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3BS1-query.scw
PDB file :
Tito_Scwrl_3BS1.pdb
: