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 4ZCL Chain:A ((36-523)) ---------IEKLRNIAIIAHVDHGKTTLVDKLLQQSG-----------------------TILAKNTAIKWN-----DYRINIVDTPGHADFGGEVERVMSMVDSVLLVVDAFDGPMPQTRFVTKKAFAYGLKPIVVINKVDRPGARPDWVVDQVFDLFVNLDATDEQLDFPIVYASALNGIAGLDHEDMAEDMTPLYQAIVDHVPAPDVDLDGPFQMQISQLDYNSYVGVIGIGRIKRGKVKPNQQVTIIDSEGKTRNAKVGKVLGHLGLERIETDLAEAGDI-VAITGLGEL---NISDTV--CDTQNVEALPALSVDEPTV-SMFFCVNTSPFCGKEGKFVTSRQILDRLNKELVHNVALRVEETEDADA----FRVSGRGELHLSVLIENMRRE-GFELAVSRPKVIFREIDGRK--------------------QEPYENVTLDVEEQHQGSVMQALGERKGDLKNMNPDGKGRVRLDYVIP-SRGLIGFRSEFMTMTSGTGLLYSTFSHYD------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4ZCL.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 : 2110 -66710 -31.62 -160.75 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -31.62 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.426

(partial model without unconserved sides chains): PDB file : Tito_4ZCL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ZCL-query.scw PDB file : Tito_Scwrl_4ZCL.pdb: