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 4G74 Chain:A ((41-448)) ---DKPNVLILGSGWGAI----SFLKHIDTKKYNVSIISPRSYFLFTPLLPSAPVGTVDEKSI---IEPIVNFALKKKGNVTYYEAEATSINPDRNTVTIKSLSAVSQLYQPENHLGLHQAEPAEIKYDYLISAVGAEPNTFGIPGVTDYGHFLKEIPNSLEIRRTFAANLEKANLLPKGDPERRRLLSIVVVGGGPTGVEAAGELQDYVHQDLRKFLPALAEE-------VQIHLVEALPIVLNMFEKKLSSYAQSHLENTSIKVHLRTAVAKVEEKQLLAKTKHEDGKITEETIPYGTLIWATGNKARPVITDLFKKIPEQNSSKRGLAVNDFLQVKGSNNIFAIGDNAF-------AGLPPTAQVAHQEAEYLAKNFDKMAQIPNFQDKIDLLFEENNFKPFKYNDLGALAYLGSERAIATI----------------------------------------

General information: TITO was launched using: RESULT: Template: 4G74.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 : 1820 -30007 -16.49 -87.74 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -16.49 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.565

(partial model without unconserved sides chains): PDB file : Tito_4G74.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4G74-query.scw PDB file : Tito_Scwrl_4G74.pdb: