Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAQAKKSVDIKNIRNFSIIAHIDHGKSTLADRFIQMCGGLQDREMQAQVLDSMELERERGITIKAASVTLYYTHPNGQEYQLNFIDTPGHVDFSYEVSRSLAACEGALLVVDAAQGVEAQSVANCYTAIEQGLEVLPILNKIDLPQAEPERVIHEIEEI-IGIEATNA----PTCSAKTGLGVEG------------VLETLVDVIPAPTGDREAPLQALIIDSWFDNYLGVVSLVRIKDGRIRKGDKM-LVKSTGQTH---IVTSVGVFNPKHTETGVLEAGEVGFVIAGIKDIFGAPVGDTITLSTTPEVASLPGFKKVKPQVYAGLFPIDAS-------DFEPFREALQKLQ---INDSALFF-EPESSDALGFGFRCGFLGMLHMEIVQERLEREYDLDLISSAPTVVYEAVTKKGDTIYIDSPSKMPDGSVVEDLREPIAECHILVPQEYLGNVMILCIERRGVQKDMKFLG-NQVSITFEIPMAEVVMDFFDKLKSCSRGFASLDYNFIRFESSSLVKVDVLINGEKVDALAMICHRNDARHRGIALVDKMKDLIPRQMFDVAIQAAIGAQIIARSTVKAMRKNVLAKCYGGDVSRKKKLLAKQKEGKKRMKQVGSVEIPQEAFLAVLKVER 4ZCI Chain:A ((36-523)) ---------IEKLRNIAIIAHVDHGKTTLVDKLLQQSG-----------------------TILAKNTAIKWN-----DYRINIVDTPGHADFGGEVERVMSMVDSVLLVVDAFDGPMPQTRFVTKKAFAYGLKPIVVINKVDRPGARPDWVVDQVFDLFVNLDATDEQLDFPIVYASALNGIAGLDHEDMAEDMTPLYQAIVDHVPAPDVDLDGPFQMQISQLDYNSYVGVIGIGRIKRGKVKPNQQVTIIDSEGKTRNAKVGKVLGHLGLERIETDLAEAGDI-VAITGLGEL---NISDTV--CDTQNVEALPALSVDEPTV-SMFFCVNTSPFCGKEGKFVTSRQILDRLNKELVHNVALRVEETEDADA----FRVSGRGELHLSVLIENMRRE-GFELAVSRPKVIFREIDGRK--------------------QEPYENVTLDVEEQHQGSVMQALGERKGDLKNMNPDGKGRVRLDYVIP-SRGLIGFRSEFMTMTSGTGLLYSTFSHYD------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4ZCI.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 : 2100 -62420 -29.72 -150.41 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -29.72 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.429

(partial model without unconserved sides chains): PDB file : Tito_4ZCI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ZCI-query.scw PDB file : Tito_Scwrl_4ZCI.pdb: