Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVKTWEEFLK----QEAKQPYFIELMEAVKDARAKGNV-YPSEEDMFSCFRLCPYNQVKVVILGQDPYHGPGQAHGLSFSVQKDVRIPPSLRNIYKELKTDL-DIEPADHGYLAKWAEQGVLLMNTSWSVEEGKAGSHKKL-GWATFTDHVLEELN-NYDKPLVFILWGNHAIKAASGITNPQHLIIKGVHPSPLAASRGFFGSKPFSKTNAFLEEHERKPIDWDLNEQ
3CXM Chain:A ((40-261))
----WRDFLAPITADSWRKGAFIRIERFLDEEKEKGRVILPPAADIFNAFNSCPFRGLKVVLLGQDPYHDLHQAHGLCFSVLPEVPLPPSLRNIYKELTTDIAGFQAPKHGYLQSWSEQGMLMLNATLTVEAHKANSHSKTSGWAAFTDAVIQHLSQHHPNRLVFLLWGGYAQQKKRLIDANRHVVLENVHPSPLSANRGWFGCRCFSACNEALQRMSHLPMHWQL---
General information:
TITO was launched using:
RESULT:
Template:
3CXM.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -108287 for 1673 contacts (-64.7/contact) +
2D Compatibility (PS) -23106 + (NN) -11503 + (LL) 660
1D Compatibility (HY) -22400 + (ID) 4900
Total energy: -169536.0 ( -101.34 by residue)
QMean score : 0.724
(partial model without unconserved sides chains):
PDB file :
Tito_3CXM.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3CXM-query.scw
PDB file :
Tito_Scwrl_3CXM.pdb
: