Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------MKSAYIHIP-FCEHICHYCDFNKYFIQSQPVDEYLNALEQEMINTIAKTGQP-DLKTIFIGGGTPTSLSEEQLKKLMDMINRVLKPSSDLSEFAVEANPDDLSAEKLKILKEAGVNRLSFGVQTFEDDLLEKI-GRVHKQKDVFTSFERAREIGFENISLDLMFGLPGQTLKHLEHSINTALSLDAEHYSVYSLIVEPKTVFYNLMQKGRLHLPPQEQEAEMYEIVMSKMEAHGIHQYEISNFAKAGMESKHNLTYWSNEQYFGFGAG-AHGYIGGTRTVNVGPVKHYIDLIAEKGFPYRDTHEVTTEEQIEEEMFLGLRKTAGVSKKRFAEKYGRSLDGLFPSVLKDLAEKGLIHNSESAVYLTHQGKLLGNEVFGAFLGEL 1TV8 Chain:A ((3-329)) EQIKDKLGRPIRDLRLSVTDRCNFRCDYCMPKEVFGDDFVFLPKNELLTFDEMARIAKVYAELGVKKIRITGGEPLM------RRDLDVLIAKLNQIDGIEDIGLTTN-GLLLKKHGQKLYDAGLRRINVSLDAIDDTLFQSINNRNIKATTILEQIDYATSIGL-NVKVNVVI-QKGIN----DDQIIPMLEYFKDKHIEIRFIEFMDVGNDNGWDFSKVV-----TKDEMLTMIEQHFEIDPVEPKYFGEVA-------KYYRHKDNGVQFGLITSVSQSFCSTCTRARLSS----------DGKFYGCLFATVDGFNVKAFIR------SGVTDEELKEQFKALWQIRDDRYSDERTAQTVANRQ-------------------------

General information: TITO was launched using: RESULT: Template: 1TV8.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 : 1561 32219 20.64 102.93 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 20.64 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.324

(partial model without unconserved sides chains): PDB file : Tito_1TV8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1TV8-query.scw PDB file : Tito_Scwrl_1TV8.pdb: