Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALIRKRRLTEQQQRRIEKQHKTRQEEVD-TSQDLDGLVVQHYGRQLEVQALSVPAHHPEKPQVAEGEPEPFWKPIELNSVWRCHTRTNLELLVTGDRVKWQADPNTGLGIITAIHPRTSLLTRPDRYHKVKPVAANISLIVIVFAPLPEPAPTLIDRYLVACADANIPALLVLNKSDLLTEN-N-PILDMLKEYENLGYEVMICHS-KGD-ISALSQRLDGETVAFVGQSGVGKSSLINVLIPDAE-QKTNIISENSALGQHTTTSTRLINFGRNGALIDSPGIREFGLWHLDLDKIRMGFPEIEAHLGSCQFRNCTHTHEKNCGLKQAVEAGEILPRRLDSFLRLIDEIQEAQQKN 2RCN Chain:A ((43-345)) -----------------------------LFGEPAEGIVISRFGMHADVESAD-------------------------GEVHRCNIRRTIRSLVTGDRVVWRPGK--VKGIVEAVHERTSVLTRP-----VKPIAANIDQIVIVSAILPELSLNIIDRYLVGCETLQVEPLIVLNKIDLLDDEGMDFVNEQMDIYRNIGYRVLMVSSHTQDGLKPLEEALTGRISIFAGQSGVGKSSLLNALLGLQNEILTN-------------TAARLYHFPHGGDVIDSPGVREFGLWHLEPEQITQGFVEFHDYLGHCKYRDCKHDADPGCAIREAVENGAIAETRFENYHRILESMA------

General information: TITO was launched using: RESULT: Template: 2RCN.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 : 1394 -8041 -5.77 -29.56 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -5.77 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.533

(partial model without unconserved sides chains): PDB file : Tito_2RCN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2RCN-query.scw PDB file : Tito_Scwrl_2RCN.pdb: