Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKKRITFGLLVLMVCVILFVLYVQLRNKDSIPVQSSAIHPEEDRIFFIYSNPFIKESVLLSTSTGERFNRRTFKVADVPYIQTKSYASTDLVLLAEHEPFYYTLEKDVIKEHPLSDPFAFWYEGKDVTIEAYNVDTTGNEIHINDRKTKKEYTLTLP--PLVTMGAS-DENFIYIIQSM--SIYVIDRKTEEM---IETLSLA-------SYADQFADS--EEFIVASSD--H-KLTVIEKGTWKTT-------YIAYPEDLEYADTVYYDKESGSFYVAYEDKEGGANLLEYGEDFSI-HTYSLK----------FPYMEAKFK-GNLLYIVAQEEHKKGIGGYVGVFDIHSKEMLYQFDLPEEQVKVQDFVVVDNK 3QQZ Chain:A ((49-251)) -------------------------------------------------------------------------------------------------------------------------------------------AAIVEMTTNGDLIRTIPLDFVKDLETIEYIGDNQFVISDERDYAIYVISLTPNSEVKILKKIKIPLQESPTNCGFEGLAYSRQDHTFWFFKEKNPIEVYKVNGLLSSNELHISKDKALQRQFTLDDVSGAEFNQQKNTLLVLSHES---RALQEVTLVGEVIGEMSLTKGSRGLSHNIKQAEGVAMDASGNIYIVSE-------PNRFYRFTP---------------------------

General information: TITO was launched using: RESULT: Template: 3QQZ.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 : 784 -92148 -117.54 -561.88 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -117.54 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.402

(partial model without unconserved sides chains): PDB file : Tito_3QQZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3QQZ-query.scw PDB file : Tito_Scwrl_3QQZ.pdb: