Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKKRITFGLLVLMVCVILFVLYVQLRNKDSIPVQSSAIHPEEDRIFFIYSNPFIKESVLLSTSTGERFNRRTFKVADVPYIQTKSYASTDLVLLAEHEPFYYTLEKDVIKEHPLSDPFAFWYEGKDVTIEAYNVDTTGNEIHINDRKTKKE-YTLTLPP------LVTMGASDENFIYIIQS---MSIYVIDRKTEEMIETLSLASYADQFADSE--EFIVASSD-----------HKLTVIEKGTWKT-TYIAYPEDLEYADTVYYDKESGSFYVAYEDKEGGANLLEYGEDF-SI-H--TYSL-KFPYMEAKFK--GNLLYIVAQEEHKKGIGGYVGVFDIHSKEMLYQFDLPEEQVKVQDFVVVDNK 3DSM Chain:A ((104-315)) ------------------------------------------------------------------------------------------------------------------------------------------DYRIFIINPKTYEITGYIECPDMDMESGSTEQMVQYGKYVYVNCWSYQNRILKIDTETDKVVDELTIGIQPTSLVMDKYNKMWTITDGGYEGSPYGYEAPSLYRIDAETFTVEKQFKFKLG-DWPSEVQLNGTRDTLYWINN------DIWRMPVEADRVPVRPFLEFRDTKYYGLTVNPNNGEVYVADAID--YQQQGIVYRYSP-QGKLIDEFYVGIIPG-----------

General information: TITO was launched using: RESULT: Template: 3DSM.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 : 910 -115126 -126.51 -636.06 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -126.51 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.447

(partial model without unconserved sides chains): PDB file : Tito_3DSM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3DSM-query.scw PDB file : Tito_Scwrl_3DSM.pdb: