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



Input alignment information:
Query sequenceMGTFSVRHLDLFYGDFQALKNISIQLPERQITALIGPSGCGKSTFLKTLNRMNDLVPSCHIEGQVLLDEQDIYSSKFNLNQLRKRVGMVFQQPNPFA-MSIYDNVAYGPRTHGIRDKKQLDALVEKSLKGAAIWEEVK--DDLKKSAMSLSGGQQQRLCIARALAVEPDILLMDEPTSALDPISTLKIEDLIQQLKK-DYTIIIVTHNMQQASRISDKTAFFLTGEICEFGDTVDVFTNPKDQRTEDYISGRFG
4U00 Chain:A ((7-238))-----IRNLHKWFGPLHVLKGIHLEVAPGEKLVIIGPSGSGKSTLIRTINRLEDFQ-----EGEVVVDGLSVKDDR-ALREIRREVGMVFQQFNLFPHMTVLENVTLAP----MRVRRWPREKAEK--KALELLERVGILDQARKYPAQLSGGQQQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLDVMRDLAQGGMTMVVVTHEMGFAREVADRVVFMDGGQIVEEGRPEEIFTRPKEERTRSFL-----


General information:
TITO was launched using:
RESULT:

Template: 4U00.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1197 -24632 -20.58 -108.03
target 2D structure prediction score : 0.57
Monomeric hydrophicity matching model chain A : 0.82

3D Compatibility (PKB) : -20.58
2D Compatibility (Sec. Struct. Predict.) : 0.57
1D Compatibility (Hydrophobicity) : 0.82
QMean score : 0.460

(partial model without unconserved sides chains):
PDB file : Tito_4U00.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4U00-query.scw
PDB file : Tito_Scwrl_4U00.pdb: