Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDILEIKNVNYSYANSKEKVLS-GVNQKFELGKFYAIVGKSGTGKSTLLSLLAGLDKVQTGKILFKNEDIEKKGYSNHRKNNISLVFQNYNLIDYLSPIENI-----------RLVNKSVDESILFELGLDKKQIKRNVMKLSGGQQQRVAIARALVSDAPIILADEPTGNLDSVTAGEIINILKELAQDRNKCVIVVTHSK-EVADSADIILELSGKKLKKVNKMNLEVE
3PUW Chain:A ((2-217))
-ASVQLQNVTKAWG---EVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGD-LFIGE--KRMNDTPPAERGVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEVINQRVNQ--VAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLELYH
General information:
TITO was launched using:
RESULT:
Template:
3PUW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -80895 for 1590 contacts (-50.9/contact) +
2D Compatibility (PS) -22327 + (NN) -6697 + (LL) 672
1D Compatibility (HY) -16000 + (ID) 3500
Total energy: -128747.0 ( -80.97 by residue)
QMean score : 0.517
(partial model without unconserved sides chains):
PDB file :
Tito_3PUW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PUW-query.scw
PDB file :
Tito_Scwrl_3PUW.pdb
: