Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAVISMKQLLEAGVHFGHQTRRWNPKMKKYIFTERNGIYIIDLQKTVKKVDEAYNFLKQVSEDGGQVLFVGTKKQAQESVKSEAERAGQFYINQRWLGGLLTNYKTISKRIKRISEIEKMEEDGLFEVLPKKEVVELKKEYDRLIKFLGGIRDMKSMPQALFVVDPRKERNAIAEARKLNIPIVGIVDTNCDPDEIDYVIPANDDAIRAVKLLTAKMADAILEGQQGVSNEEVAAEQNIDLDEKEKSEETEATEE
1XNR Chain:B ((7-229))
-----VKELLEAGVHFGHERKRWNPKFARYIYAERNGIHIIDLQKTMEELERTFRFIEDLAMRGGTILFVGTKKQAQDIVRMEAERAGMPYVNQRWLGGMLTNFKTISQRVHRLEELEALFASPEIEERPKKEQVRLKHELERLQKYLSGFRLLKRLPDAIFVVDPTKEAIAVREARKLFIPVIALADTDSDPDLVDYIIPGNDDAIRSIQLILSRAVDLIIQARGGV---------------------------
General information:
TITO was launched using:
RESULT:
Template:
1XNR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -85178 for 1800 contacts (-47.3/contact) +
2D Compatibility (PS) -23691 + (NN) -10864 + (LL) 2748
1D Compatibility (HY) -23200 + (ID) 6100
Total energy: -146285.0 ( -81.27 by residue)
QMean score : 0.571
(partial model without unconserved sides chains):
PDB file :
Tito_1XNR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1XNR-query.scw
PDB file :
Tito_Scwrl_1XNR.pdb
: