Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MEKLFKEVKLEELENQKGSGLGKAQCAALWL--QCASGGTIGCGGGAVACQNYRQFCR-------------------------------- 4C4A Chain:A ((27-688)) HQEIARSSYADMLHDKDRNIKYYQGIRAAVSRVKDRGQKALVLDIGTGTGLLSMMAVTAGADFCYAIEVFKPMAEAAVKIVERNGFSDKIKVINKHSTEVTVGPDGDLPCRANILITELFDTELIGEGALPSYEHAHKHLVQEDCEAVPHRATVYAQLVESRRMWSWNKLFPVRVRTSLGEQVIVPPSELERCPGAPSVCDIQLNQVSPADFTVLSDVLPMFSVDFSKQVSSSAACHSRQFVPLASGQAQVVLSWWDIEMDPEGKIKCTMAPFWAQTDPQELQWRDHWMQCVYFLPQEEPVVQGSPRCLVAHHDDYCVWYSLQRTSPQVRPVCDCQAHLLWNRPRFGEINDQDRTDHYAQALRTVLLPGSVCLCVSDGSLLSMLAHHLGAEQVFTVESSVASYRLMKRIFKVNHLEDKISVINKRPELLTAADLEGKKVSLLLGEPFFTTSLLPWHNLYFWYVRTSVDQHLAPGAVVMPQAASLHAVIVEFRDLWRIRSPCGDCEGFDVHIMDDMIKHSLDFRESREAEPHPLWEYPCRSLSKPQEILTFDFQQPIPQQPMQSKGTMELTRPGKSHGAVLWMEYQLTPDSTISTGLINPGDCCWNPHCKQAVYFLSTPRSVSYVVEFHPLTGDITMEFRLA

General information: TITO was launched using: RESULT: Template: 4C4A.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 : 86 3564 41.44 63.64 target 2D structure prediction score : 0.27 Monomeric hydrophicity matching model chain A : 0.51 3D Compatibility (PKB) : 41.44 2D Compatibility (Sec. Struct. Predict.) : 0.27 1D Compatibility (Hydrophobicity) : 0.51 QMean score : 0.124

(partial model without unconserved sides chains): PDB file : Tito_4C4A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4C4A-query.scw PDB file : Tito_Scwrl_4C4A.pdb: