Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
------MTLTTQFYTMLAMSGMGLWLGASLDTYRLFVIRAKTARWLLFIHDILFWIMQGLLFFYVLLHVNEGEFRIYIFLAVLLGVATYQSLCKRIYIKILKFVIYLVVSVYQFFKK-----LIQHVLFRPI----VWTCGA------------IIWLAAFLFKKTYSLIGFLLLCLYKIVMVLCFPIRFIAKQCLKLLPVKMRLTFRRYFEKGAGFLKKKKKLLITIRTTITRFLKR
1YAR Chain:O ((10-237))
KRAALIQNLRDSYTETSSFAVIEEWAAGTLQEIEGIAKAAAEAHGVIRNST------------YGRAQAEKSP------EQLLGVLQRYQDLCHNVYCQAETIRTVIAIRIPEHKEEDNLGVAVQHAVLKIIDELEIKTLGSGEKSGSGGAPTPIGMYALREYLSARSTVEDKLLGGGSQSPSLLLELRQIDADFMLKVELATTHLSTMVRAVINAYLLNWKKLI-QPRTGSDHMVS-
General information:
TITO was launched using:
RESULT:
Template:
1YAR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -158249 for 1290 contacts (-122.7/contact) +
2D Compatibility (PS) -19824 + (NN) -6543 + (LL) 2812
1D Compatibility (HY) -1200 + (ID) 1550
Total energy: -184554.0 ( -143.07 by residue)
QMean score : 0.309
(partial model without unconserved sides chains):
PDB file :
Tito_1YAR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1YAR-query.scw
PDB file :
Tito_Scwrl_1YAR.pdb
: