Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MFELKNIAYRYKGNDNKTLENINYSFQSGVFYTILGNSDSGKTTLLSLMAGLDSPTEGQVLFNKKDIKEAGYAQHRKKNIALVFQNYNLLDYLTPLENVQLVKP----------TADKQLLLDLGLKEDMLTRNILRLSGGQQQRVAIARALVAGTPAILLDEPTGNLDFDIARDITMRLKDFAHKEKRCVIMVTHSREIAH-MADTALQLTGDNLKELSKESIAQSILQQRNL
2IT1 Chain:A ((4-217))
-IKLENIVKKFG--NFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTELPP--K-DRNVGLVFQNWALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDK-LLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQVGTPDEVYYKPKYKFV
General information:
TITO was launched using:
RESULT:
Template:
2IT1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -113942 for 1631 contacts (-69.9/contact) +
2D Compatibility (PS) -22319 + (NN) -10835 + (LL) 244
1D Compatibility (HY) -16800 + (ID) 3600
Total energy: -167252.0 ( -102.55 by residue)
QMean score : 0.523
(partial model without unconserved sides chains):
PDB file :
Tito_2IT1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IT1-query.scw
PDB file :
Tito_Scwrl_2IT1.pdb
: