Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDILEIKNVNYSYANSKEKVLS-GVNQKFELGKFYAIVGKSGTGKSTLLSLLAGLDKVQTGKILFKNEDIEKKGYSNHRKNNISLVFQNYNLIDYLSPIENI-----------RLVNKSVDESILFELGLDKKQIKRNVMKLSGGQQQRVAIARALVSDAPIILADEPTGNLDSVTAGEIINILKELAQDRNKCVIVVTHSK-EVADSADIILELSGKKLKKVNKMNLEVE
3PUV Chain:B ((2-217))
-ASVQLQNVTKAWG---EVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGD-LFIGE--KRMNDTPPAERGVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEVINQRVNQ--VAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLELYH
General information:
TITO was launched using:
RESULT:
Template:
3PUV.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -80388 for 1585 contacts (-50.7/contact) +
2D Compatibility (PS) -22287 + (NN) -6650 + (LL) 672
1D Compatibility (HY) -16000 + (ID) 3500
Total energy: -128153.0 ( -80.85 by residue)
QMean score : 0.520
(partial model without unconserved sides chains):
PDB file :
Tito_3PUV.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PUV-query.scw
PDB file :
Tito_Scwrl_3PUV.pdb
: