Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLVNNISYLYNNQDDFALNNINIKVKRGKVACLLGHSGCGKSTILKLIAGIENPKSGTIFINDKLVASSSTSIAIEHRNIGLIFQHSALFPHKTVVENVTFAIRSSS--KKEKHLIALEILKLLNIAKYENMYPNALSGGQQQLVAIARVMAQNPDVVLLDEPFSNLDILLKCQIRQRILSLFRSKNIPVLMVTHDPQEALKVADFIYVMKNGRIIQSGISSDIYHRPKDDTLAKFFSELSSTLQLGEKFPLDGAFAVRK
2YYZ Chain:A ((4-227))
IRVVNLKKYFGK--VKAVDGVSFEVKDGEFVALLGPSGCGKTTTLLMLAGIYKPTSGEIYFDDVLVNDIP----PKYREVGMVFQNYALYPHMTVFENIAFPLRARRISKDEVEKRVVEIARKLLIDNLLDRKPTQLSGGQQQRVALARALVKQPKVLLFDEPLSNLDANLRMIMRAEIKHLQQELGITSVYVTHDQAEAMTMASRIAVFNQGKLVQYGTPDEVYDSPKNMFVASFIGNPPTNFLRDFSVSVENKQTILK
General information:
TITO was launched using:
RESULT:
Template:
2YYZ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -167595 for 1752 contacts (-95.7/contact) +
2D Compatibility (PS) -24679 + (NN) -12854 + (LL) 416
1D Compatibility (HY) -17600 + (ID) 4400
Total energy: -226712.0 ( -129.40 by residue)
QMean score : 0.597
(partial model without unconserved sides chains):
PDB file :
Tito_2YYZ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2YYZ-query.scw
PDB file :
Tito_Scwrl_2YYZ.pdb
: