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



Input alignment information:
Query sequenceMQKQVKISGKSKENMSLLKHLKGDVQGKELVIEDSIVNERWKQVLKEKIDIEHDLFNYQKNREISKVPFLPVDRLITNDEVEDILNTLTEVLPTGKFTS-GPYLEQFEKVLSTYLHKRYVIATSSGTDAIMIGLLALGLNPGDEVIMPANSFSATENAVLASGGVPIYVDINPQTFCIDPDKIEEAITPYTKFILPVHLYGKHSDMQHIRQIANRYKLKVIEDACQGIGLTDLGK----YADITTLSFNPYKNFG----VCGKAGAIATDNEELAKKCIQFSYHGFEVNVKNKKVINFGFNSKMDNLQAAIGLERMKYLSLNNFKRLFLADRYITQLAELQNKGYIELPELSEDHVWHLFPIKVR---TEDRADIMTKLNEDFGVQTDVYYPILSHMQKTPLVQDKYAGL---QLVHTEKAHSQVLHLPLYPSFTLEEQDRVMEGLFHVIKQEIGV
3DR4 Chain:C ((44-390))-----------------------------------------------------------------------------------------ECMDTTWISSVGRFIVEFEKAFADYCGVKHAIACNNGTTALHLALVAMGIGPGDEVIVPSLTYIASANSVTYCGATPVLVDNDPRTFNLDAAKLEALITPRTKAIMPVHLYGQICDMDPILEVARRHNLLVIEDAAEAVGATYRGKKSGSLGDCATFSF-----FGNAIITTGEGGMITTNDDDLAAKMRLLRGQGMDPNRRYWFPI-VGFNYRMTNIQAAIGLAQLERVDEHLAARERVVGWYEQKLARLGNRVTKPHVALTGRHVFWMYTVRLGEGLSTTRDQVIKDLDA-LGIES---RPVFHPMHIMP----PYAHLATDDLKIAEACGVDGLNLPTHAGLTEADIDRVIAALDQVL------


General information:
TITO was launched using:
RESULT:

Template: 3DR4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1913 -237263 -124.03 -714.65
target 2D structure prediction score : 0.67
Monomeric hydrophicity matching model chain C : 0.72

3D Compatibility (PKB) : -124.03
2D Compatibility (Sec. Struct. Predict.) : 0.67
1D Compatibility (Hydrophobicity) : 0.72
QMean score : 0.463

(partial model without unconserved sides chains):
PDB file : Tito_3DR4.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3DR4-query.scw
PDB file : Tito_Scwrl_3DR4.pdb: