Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKKRITFGLLVLMVCVILFVLYVQLRNKDSIPVQSSAIHPEEDRIFFIYSNPFIKESVLLSTSTGERFNRRTFKVADVPYIQTKSYASTDLVLLAEHEPFYYTLEKDVIKEHPLSDPFAFWYEGKDVTIEAYNVDTTGNEIHINDRKTKKEYTLTLPPLVTMGAS--DENFIYIIQSM--SIYVIDRKTEEMIETLSLA--SYADQFADS-EEFIVASSD--HKLTVIEKGTWKT----TYIAYPE----DLEYADTVYYDKESGSFYVAYEDKEGGANLLEYGEDFSI-H--T-----YSLK---FPYMEAKFK--GNLLYIVAQEEHKKGIGGYVGVFDIHSKEMLYQFDLPEEQVKVQDFVVVDNK 3QQZ Chain:A ((29-212)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------ISSLTWSAQSNTLFSTINKPAAIVEMTT-NGDLIRTIPLDFVKDLETIEYIGDNQFVISDERDYAIYVISLTPNSEVKILKKIKIPLQESPTNCGFEGLAYSRQDHTFWFFKEKN--PIEVYKVNGLLSSNELHISKDKALQRQFTLDDVSGAEFNQQKNTLLVLSH------ESRALQEVTLV-GEVIGEMSL----------------

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 : 761 -89816 -118.02 -583.22 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -118.02 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.388

(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: