Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGVLTIEHLTKKIGNKTILEDVSFKLKRGQIVGLVGANGAGKTTLMKVILGYSSFQSGNF-----NVINSKDSKSNIGALIENPGIYPFMSGYEN----LKLLNESKNT--QDIDKIVSQLHMDEYIHKKAKTYSLGMKQKLGIAIAFLNEPQFIILDEPMNGLDPKAVRDVR-ELIVQKSQEGVTFLISSHILSELVKITNSILIINKGKIVTETSEEELKQFKDNDLENVLLEIIEREDQA
1Q12 Chain:A ((4-227))
---VQLQNVTKAWGEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDTPPAERGVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLELYHYPAD----------------
General information:
TITO was launched using:
RESULT:
Template:
1Q12.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -86126 for 1620 contacts (-53.2/contact) +
2D Compatibility (PS) -23111 + (NN) -10634 + (LL) 1904
1D Compatibility (HY) -16400 + (ID) 2650
Total energy: -137017.0 ( -84.58 by residue)
QMean score : 0.533
(partial model without unconserved sides chains):
PDB file :
Tito_1Q12.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1Q12-query.scw
PDB file :
Tito_Scwrl_1Q12.pdb
: