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
2AWN Chain:B ((4-228))
----VQLQNVTKAWGEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDT----PPAERG----VGMVFQSYALYPHLSVAENMSFGLKLAGAKKEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLELYHYPADR--------------------------
General information:
TITO was launched using:
RESULT:
Template:
2AWN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -138485 for 1629 contacts (-85.0/contact) +
2D Compatibility (PS) -23706 + (NN) -17897 + (LL) 2480
1D Compatibility (HY) -16800 + (ID) 4150
Total energy: -198558.0 ( -121.89 by residue)
QMean score : 0.490
(partial model without unconserved sides chains):
PDB file :
Tito_2AWN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AWN-query.scw
PDB file :
Tito_Scwrl_2AWN.pdb
: