Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTKGTPHIQPNGVKIAKTVLMPGDPLRAKYIADNFLENVEQFNDVRNMFGYTGTYKGKEVSVMGSGMGIPSIGIYSYELYNFFDVDTIIRIGSCGALQENVNLYDVIIAQAASTNSNYVDQYNIPGH-FAPIADFELVTKAKNVADQIGATTHVGNVLSSDTFYNADPTFNDAWKKMGILGIEMESAGLYLNAIHAGKKALGIFTVSDHILRDEATTPEERQNSFTQMMEIALEIAE
1PKE Chain:A ((2-230))
----TPHINAEMGDFADVVLMPGDPLRAKYIAETFLEDAREVNNVRGMLGFTGTYKGRKISVMGHGMGIPSCSIYTKELITDFGVKKIIRVGSCGAVLPHVKLRDVVIGMGACTDSK-VNRIRFKDHDFAAIADFDMVRNAVDAAKALGIDARVGNLFSADLFYSPDGEMFDVMEKYGILGVEMEAAGIYGVAAEFGAKALTICTVSDHIRTHEQTTAAERQTTFNDMIKIALE---
General information:
TITO was launched using:
RESULT:
Template:
1PKE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -138548 for 1917 contacts (-72.3/contact) +
2D Compatibility (PS) -23968 + (NN) -5725 + (LL) 696
1D Compatibility (HY) -24800 + (ID) 6050
Total energy: -198395.0 ( -103.49 by residue)
QMean score : 0.563
(partial model without unconserved sides chains):
PDB file :
Tito_1PKE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1PKE-query.scw
PDB file :
Tito_Scwrl_1PKE.pdb
: