Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequenceMESPASSQPASMPQSKGKSKRKKDLRISCMSKPPAPNPTPPRNLDSRTFITIGDRNFEVEADDLVTISELGRGAYGVVEKVRHAQSGTIMAVKRIRATVNSQEQKRLLMDLDINMRTVDCFY--TVTFYGALFREG----DVWICMELMDT-SLDKFYRKVLDKNMTIPEDILGEIAVSIVRALEHLHSKLSVIHRDVKPSNVLINKEGHVKMCDFGISGYLVDSVAKTMDAGCKPY-MAPERINPELNQKG-YNVKSDVWSLGITMIEMAILRFPYESWGTPFQQLKQVVEEPSPQLPADRFSPEFVDFTAQCLRKNPAERMSYLELMEHPFFTLHKTKKTDIAAFVKEILGEDS
4U45 Chain:A ((32-290))---------------------------------------------------------------------VGNGTYGQVYKGRHVKTGQLAAIKVMDVTEDEEEE----IKLEINMLKKYSHHRNIATYYGAFIKKSPPDDQLWLVMEFCGAGSITDLVKNT--KGNTLKEDWIAYISREILRGLAHLHIH-HVIHRDIKGQNVLLTENAEVKLVDFGVSA---------NTFIGTPYWMAPEVIACDENPDATYDYRSDLWSCGITAIEMAEGAPPLCDM-HPMRALFLIPRNPPPRLKSKKWSKKFFSFIEGCLVKNYMQRPSTEQLLKHPFIRDQPNERQVRIQLKDHIDRTRK


General information:
TITO was launched using:
RESULT:

Template: 4U45.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -143625 for 1941 contacts (-74.0/contact) +
2D Compatibility (PS) -25474 + (NN) -12822 + (LL) 3920
1D Compatibility (HY) -18800 + (ID) 4500
Total energy: -201301.0 ( -103.71 by residue)
QMean score : 0.523

(partial model without unconserved sides chains):
PDB file : Tito_4U45.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4U45-query.scw
PDB file : Tito_Scwrl_4U45.pdb: