Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGAINPKEDYSNIQNLTFDAVIVGGGGSGMRASYQLAQAGLKVAVLTKVFPTRSHTVAAQGGIGASLGNMQEDNWHFHFYDTVKGSDWLGDQDAIEFMCREAPKVVYELEHLGMPFDRNADGTIYQRPFGGHSANYGD-KPVPRACAAADRTGHALLHTLYQSNVKMGTQFFVEWIALDLIRNEAGDVLGVTAIDQETGNIAVFQAKATLFATGGAGRVYRASTNAYINTGDGLGMAARAGIPLQDMEFWQFHPTGVAGAGVLLTEGCRGEGAILRNKDGEPFMERYAPTLKDLAPRDFVSRSMDQEIKEGRGCGPKGDYILLDMTHLGADTIMKRLPSVFEIGKKFANVDITKEPIPVVPTIHYQMGGIPTNMHGQVCLPEPGTDNYTKPVKGFYAIGECSCVSVHGANRLGTNSLLDLVVFGKAAGEHIIDYVTKHHGDEYAPLPTNVLEQTLARVRKLDESTSGENAQEVADAIRDIVQDHAGVFRTQALLDKGVKEILALEPRVRNIHLKDKSKVFNTARVEALEVENLYEVAKATLISAAARKECRGAHTVVDYELPADHPTYSYGR-------RDYEWMKHTLWYSS-D---NRLEYKPVRFKPL---TVDPIPPAPRTF 1YQ3 Chain:A ((12-621)) ----------YPVVDHEFDAVVVGAGGAGLRAAFGLSEAGFNTACVTKLFPTRSHTVAAQGGINAALGNMEDDNWRWHFYDTVKGSDWLGDQDAIHYMTEQAPAAVIELENYGMPFSRTEEGKIYQRAFGGQSLQFGKGGQAHRCCCVADRTGHSLLHTLYGRSLRYDTSYFVEYFALDLLME-NGECRGVIALCIEDGTIHRFRAKNTVIATGGYGRTYFSCTSAHTSTGDGTAMVTRAGLPCQDLEFVQFHPTGIYGAGCLITEGCRGEGGILINSQGERFMERYAPVAKDLASRDVVSRSMTIEIREGRGCGPEKDHVYLQLHHLPPQQLATRLPGISETAMIFAGVDVTKEPIPVLPTVHYNMGGIPTNYKGQVITH---VNGEDKVVPGLYACGEAASASVHGANRLGANSLLDLVVFGRACALTIAETC--KPGEPVPSIKPNAGEESVANLDKLRFADGTIRTSEARLNMQKTMQSHAAVFRTGSILQEGCEKLSQIYRDLAHLKTFDRGIVWNTDLVETLELQNLMLCALQTIYGAEARKESRGAHAREDYKLRIDEFDYSKPLQGQQKRPFEEHWRKHTLSYVDVKSGKVTLKYRPVIDRTLNEEDCSSVPPAIRSY

General information: TITO was launched using: RESULT: Template: 1YQ3.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 : 4038 -106102 -26.28 -178.32 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : -26.28 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.537

(partial model without unconserved sides chains): PDB file : Tito_1YQ3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1YQ3-query.scw PDB file : Tito_Scwrl_1YQ3.pdb: