Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSGLLDLLEIRKAYGDTRVLEGVALSLAPGEVVSLLGPSGCGKSTLLRIAAGLD-----DDFQGTVERNPILGFGPDGENGRSGGIGVVFQEPRLLPWLTVAQNVGFA---DGWLED--EHWVERLLADVGLAGCGGLLPKQLSGGMAQRAAIARGLYGRPQVLLLDEPFSAVDAFTRMRLQDLLQDVVQNYEISVLLVTHDLDEAFYLADRVLLM-GGRPGHIRRE---FHVPLARPRDRRAVELAYLRGEALTEMQRAHVL
3PUX Chain:A ((4-228))
----VQLQNVTKAWGEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDT----PPAERG----VGMVFQSYALYPHLSVAENMSFGLKLAGAKKEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLELYHYPADR--------------------------
General information:
TITO was launched using:
RESULT:
Template:
3PUX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -133329 for 1602 contacts (-83.2/contact) +
2D Compatibility (PS) -23480 + (NN) -16227 + (LL) 2480
1D Compatibility (HY) -16800 + (ID) 4150
Total energy: -191506.0 ( -119.54 by residue)
QMean score : 0.517
(partial model without unconserved sides chains):
PDB file :
Tito_3PUX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PUX-query.scw
PDB file :
Tito_Scwrl_3PUX.pdb
: