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



Input alignment information:
Query sequenceMNNTKQPVVILVGPTAVGKTNLSIQLAKSLNAEIISGDSMQIYKGMDIGTAKITEQEMEGVPHHLIDILDPQDSFSTADYQSLVRNKISEIANRGKLPMIVGGTGLYIQSVLYDYTFTEEANDPVFRESMQMAAEREGADFLHAKLAAADPEAAAAIHPNNTRRVIRALEILHTSGKTMSQHLKEQKRELLYNAVLIGLTMDRDTLYERINQRVDLMMQSGLLPEVKRLYDKNVRD------CQS--IQAIGYKELYAYF-DGFVTLSDAVEQLKQNSRRYAKRQLTWFRNKMQVTWFDMTPPVDMELKKKEIFTHIAGKLEL
3EPL Chain:A ((4-289))-------VIVIAGTTGVGKSQLSIQLAQKFNGEVINSDSMQVYKDIPIITNKHPLQEREGIPHHVMNHVDWSEEYYSHRFETECMNAIEDIHRRGKIPIVVGGTHYYLQTLFNKRVDTKSSERKLTRKQLDI-LESTDPDVIYNTLVKCDPDIATKYHPNDYRRVQRMLEIYYKTGKKPSETFNEQKITLKFDTLFLWLYSKPEPLFQRLDDRVDDMLERGALQEIKQLYEYYSQNKFTPEQCENGVWQVIGFKEFLPWLT---VKLEDCIERMKTRTRQYAKRQVKWIK---------------------------------


General information:
TITO was launched using:
RESULT:

Template: 3EPL.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 : 1134 -124918 -110.16 -462.66
target 2D structure prediction score : 0.57
Monomeric hydrophicity matching model chain A : 0.79

3D Compatibility (PKB) : -110.16
2D Compatibility (Sec. Struct. Predict.) : 0.57
1D Compatibility (Hydrophobicity) : 0.79
QMean score : 0.447

(partial model without unconserved sides chains):
PDB file : Tito_3EPL.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3EPL-query.scw
PDB file : Tito_Scwrl_3EPL.pdb: