Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNILFKTTVLAASLLLAACNNNDDQEAQTAPSTNPSKYYQTKTPYQPQQDLKSYEQAPTGFQPVFTELVARHGSRGLSSLKYDLALYNLWKQAKAENALTPLGVQLGADLEAMMKANILLGYGVEGIRQYGYGNETMTGILEHRGIADRLLQRLPTLINSQASILVQSSGVDRAVDSAKFFTAELIKQHPQLKDKIVPLSYTNLSSESMPSIEDGGVDRFKLYFHSLNADEDLAQPLSDSQQKIYDASQAYQDFEENNKDLAQKLDELTKNTQAEKTAQMVLSPIFKADFIKKLGTTGYSFSNTGSFTVTSPKGEQITEKGKGKNTITSAVDAAAYIYELYSISGGMKDELKSIDFNKYMPFEAAKFYAEFNDANDFYEKGPSFTESNQVTSEIAQGLKRDLFQQVDAVVNKAQPYKAVLRFAHAEIIIPLATSLDLHNMMQPLPLRQTYNYSTSAWRGEVVSPMAANVQWDIYQNSQGNTLVKMLYNEKETLFKSACNYARYTPTSFYYDYIKLKQCYQMQ------------ 4FDT Chain:A ((21-425)) MQ------------------------------TKIQKYAGTAMPYPNRTD---------GMTPFYINHLGRHGARFPTSRKALDKVEKVLVSAQQENGLTSEGMALLSMIRRLSRLF-----------DGQWGKLSKLGETEQEGIAGRMIRNYPQLFSNSAKIEAIATYVPRSINSMDAFLSCMIRHNPAL---------QVQRSEG------------KQYNHIL---------------RFFDLNKSYVNYKEKGDWLPIYKAFVHKK-------------ISPVPIMKKF--------------LLNPEQYL-------------DKEAEEFVMALFSVAAILPDTSIPLNLEDLFTLDEWHRYWQTQNLRQYMSKS-SAPVGKMLPVAIAWPLLSEFIRSAQEVISGKSDYQANFRFAHAETVIPFVSLMGIEKTDVQVCRPDSVSVY---WKDYEISPMAANVQWLFYRDRDQRIWVKILLNEEA------AALPISTACFPYYSWEKTRIFFNQRIEMAKKTLSVFN

General information: TITO was launched using: RESULT: Template: 4FDT.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 : 2043 -144240 -70.60 -373.68 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -70.60 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.440

(partial model without unconserved sides chains): PDB file : Tito_4FDT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4FDT-query.scw PDB file : Tito_Scwrl_4FDT.pdb: