Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGVLTIEHLTKKIGNKTILEDVSFKLKRGQIVGLVGANGAGKTTLMKVILGYSSFQSGNF-----NVINSKDSKSNIGALIENPGIYPFMSGYEN----LKLLNESKNT--QDIDKIVSQLHMDEYIHKKAKTYSLGMKQKLGIAIAFLNEPQFIILDEPMNGLDPKAVRDVR-ELIVQKSQEGVTFLISSHILSELVKITNSILIINKGKIVTETSEEELKQFKDNDLENVLLEIIEREDQA
1Q1B Chain:A ((4-227))
---VQLQNVTKAWGEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDTPPAERGVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLELYHYPAD----------------
General information:
TITO was launched using:
RESULT:
Template:
1Q1B.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -94821 for 1614 contacts (-58.7/contact) +
2D Compatibility (PS) -22852 + (NN) -7543 + (LL) 1904
1D Compatibility (HY) -16400 + (ID) 2650
Total energy: -142362.0 ( -88.20 by residue)
QMean score : 0.513
(partial model without unconserved sides chains):
PDB file :
Tito_1Q1B.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1Q1B-query.scw
PDB file :
Tito_Scwrl_1Q1B.pdb
: