Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDREQIIALQHQRFATKKYDPNRRISEKDWEVLVEVGRLAPSSIGLEPWKMLLLKNERMKEDLKPMAWGGLSSLEGASHFVIYLARKG-VTYDSDYVKKVMHEVKKRDYD----THSRFAQIIKNFQENDIKLNSERSLFDWASKQTYIQMANMMMAAAMLGIDSCPIEGYDQEKVEAYLEEKGYLNTAEFGVSVMASFGYRNQEI--TPKTRWKTEVIYEVIE
3BEM Chain:A ((13-217))
--MAEFTHLVNERRSASNFLSGHPITKEDLNEMFELVALAPSAFNLQHTKYVTVLDQDVKEKLKQAANGQY-KVVSSSAVLLVLGDKQAYQQAADIYEGLKVL-GILNKQEYDHMVQDTVSFYENR--------GEQFKRDEAIRNASLSAMMFMLSAAAAGWDTCPMIGFDAEAVKRILNI----D-DQFEVVMMITIGKEKTESRRPRGYRKPVNEFVEYM-
General information:
TITO was launched using:
RESULT:
Template:
3BEM.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -73364 for 1405 contacts (-52.2/contact) +
2D Compatibility (PS) -21287 + (NN) -8240 + (LL) 1144
1D Compatibility (HY) -10000 + (ID) 2200
Total energy: -113947.0 ( -81.10 by residue)
QMean score : 0.583
(partial model without unconserved sides chains):
PDB file :
Tito_3BEM.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3BEM-query.scw
PDB file :
Tito_Scwrl_3BEM.pdb
: