Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGKLNGKVAVVTGAASGMGQQIAILFAKEGAKVVVADLN-LEAAQKTVELVEKEHGTGLAVVANVTKQEDIENMINQAIEAFGTLDILVNNAGIMDNFVPAGELTDELWDKVFAINTTGVMRATREALHIFEEKG-QGVIVNIASAGGLFGSRAGAAYTASKHAVVGFTKNVGFQYANKNIRCNAIAPGAVNTNIGTTIYA-PDEFGQERAMIGMGINPRAGDASEIAKVALFLASDDSSFVNGTVITADAGWTAY
3AUU Chain:B ((13-261))
---LKDKVVVITGGSTGLGRAMAVRFGQEEAKVVINYYNNEEEALDAKKEVEEAGGQAIIVQGDVTKEEDVVNLVQTAIKEFGTLDVMINNAGV-ENPVPSHELSLDNWNKVIDTNLTGAFLGSREAIKYFVENDIKGNVINMSSVHEMIPWPLFVHYAASKGGMKLMTETLALEYAPKGIRVNNIGPGAMNTPINAEKFADPVQRADVESMIPMGY---IGKPEEVAAVAAFLASSQASYVTGITLFADGGMTKY
General information:
TITO was launched using:
RESULT:
Template:
3AUU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -141750 for 2149 contacts (-66.0/contact) +
2D Compatibility (PS) -27378 + (NN) -10704 + (LL) 188
1D Compatibility (HY) -20000 + (ID) 4950
Total energy: -204594.0 ( -95.20 by residue)
QMean score : 0.483
(partial model without unconserved sides chains):
PDB file :
Tito_3AUU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3AUU-query.scw
PDB file :
Tito_Scwrl_3AUU.pdb
: