Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALNKPKIVILGAGYGGLMTVTRLTKYVGPNDADITLVNKHNYHYETTWMHEASAGTLHHDRCRYQIKDVIN-----QSRVNFVQDTVKAIKIDEKKVVLAN---------------------GELQYDYLVIGLGAVPETFGIKGLKEYAFPIANINTSRLLREHIELQFATYNTEAEKRPDR---LTIVVGGAGFTGIEFLGELAARV--------PELCKEYDVDRSLVRIICVEAAPTVLPGFDPELVDYAVHYLEENGVEFKIGTAVQECTPEGVRVGKKDEE----PEQIKSQTVVWAAGVRGHPIV----EEAGFENMRGR-VKVNPDLRAPGHDNVFILGDSSLFMNEDTERPYPPTAQIAMQQGITVAKNLGR------------LIKGGELEEFKPDIKGTVASLGEHNAVGVVYGRKLKGTPASFMKKVIDNRSLFMIGGLGLTLKKGKFKFF 4G9K Chain:A ((10-417)) ---DKPNVLILGSGWGAI----SFLKHIDTKKYNVSIISPRSYFLFTPLLPSAPVGTVDEKSI---IEPIVNFALKKKGNVTYYEAEATSINPDRNTVTIKSLSAVSQLYQPENHLGLHQAEPAEIKYDYLISAVGAEPNTFGIPGVTDYGHFLKEIPNSLEIRRTFAANLEKANLLPKGDPERRRLLSIVVVGGGPTGVEAAGELQDYVHQDLRKFLPALAEE-------VQIHLVEALPIVLNMFEKKLSSYAQSHLENTSIKVHLRTAVAKVEEKQLLAKTKHEDGKITEETIPYGTLIWATGNKARPVITDLFKKIPEQNSSKRGLAVNDFLQVKGSNNIFAIGDNAF-------AGLPPTAQVAHQEAEYLAKNFDKMAQIPNFQKIDLLFEENNFKPFKYNDLGALAYLGSERAIATI----------------------------------------

General information: TITO was launched using: RESULT: Template: 4G9K.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 : 1826 -23961 -13.12 -70.06 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -13.12 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.525

(partial model without unconserved sides chains): PDB file : Tito_4G9K.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4G9K-query.scw PDB file : Tito_Scwrl_4G9K.pdb: