Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTTRKVIGDVVQYRLDTPIASGAFSTVWRCSELSSGRTYAVKIVEKKAALRNKMTGALIREVNALEIAGSSPYVTGLVDKMVSKHNYYLVMELAEGGTLLDLIRERRQELRQLQVSSSTGCSVMDSLQLSATPFMPYDRVRYYFKQLLLALSALHDRNVVHRDVKPENILL--NKQRTRLLLSDFGFACHSMLGAQLHRACGTLKYCAPELLREHPSYDGRKVDVWAAGITLYMMLFGGYPYRCSRGDPDALLEVIETTTYRIP----RPIPALIEDILQHMLCIDAAQRWSVKQLLQHPWISELELHSPSA-------SPATSASSFSGEELASPAA--------SVLETEGAITEMPSEDCPPVDSLPSDGDEVDDGFYQSINHGHLSSSASSGLNSSTISTQQPRQRSSLADSRRSHKEAFPLAVSPASPLHCGDPDVVQGGESETPGASKAFVVQPPTRSSSASAKEEILKYGIEFTSLTSIESFVASDGEGEMDDSEDESLFWEEMREGAATRGHCGNTSMSSSLYTGASHVGDVQQSGLRGRYSYGLWLTARMAAHLVAFIAVCVVALALRVLLKREISDLPLPKGIRDYISFLYTPPRRPHAHRSGAAPTLCHSRGGPPTASALVLRQKGSYGDSSASCPPTASPIPGSGLRHYVRTADKLMRDSLMGNVVLSHNAPLVDFAYGKMPEPCPRKHSKDRSLSSTPAAPSLATVAPTQSSTRRQSLERSEASTAEAYAENVELSALPLPLNSEKRRENTNRLVSPGGGDEEGCNEQRDRQGSDSSLRKERRSTRSSPPPLMSVGDPISATTAAITSLRTLTSSKTPVRSEVRVDSQAGATDDTGSCDSALDKSAYSPHQNIMFSPLDPMPMALGDHQHEMEDFPVVAKTGHA 3IGO Chain:A ((23-395)) -----------RYNIVCMLGKGSFGEVLKCKDRITQQEYAVKVINKASA-KNK-TSTILREVELLK-KLDHPNIMKLFEILEDSSSFYIVGELYTGGELFDEIIKRKR-------------------------FSEHDAARI-IKQVFSGITYMHKHNIVHRDLKPENILLESKEKDCDIKIIDFGLSTCFQQNT-------TAYYIAPEVLR--GTYD-EKCDVWSAGVILYILLSGTPPF-YGKNEYD-ILKRVETGKYAFDLPQWRTISDDAKDLIRKMLTFHPSLRITATQCLEHPWIQKYSSETPTISDLPSLESAMTNIRQFQAEKKLAQAALLYMASKLTTLDETKQLTEIFRKLDTNNDGML-DRDELVRGYHEFMRLKGVDSNSLIQ--GSTIEDQ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3IGO.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 : 1517 -101456 -66.88 -308.38 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -66.88 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.396

(partial model without unconserved sides chains): PDB file : Tito_3IGO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3IGO-query.scw PDB file : Tito_Scwrl_3IGO.pdb: