Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGNTLFFISLSLIWVMLLYHMFLMQGGFRHYMTFERNIPKWRENMKELPKVSVLIPAHNEEV-VIRQTLKAMVNLYYPKDRLEIIVVNDNSSDRTGDIVNEFSEKYDFIKMVITKPPNAGKGKSSALNSGFAESNGDVICVYDADNTPEKMAVYYLVLGLMNDEKAGAVVGKFRVINAAKTLLTRF-I----NIETICFQ---WM-------AQGGRWKWFKIATIPGTNFAIRRSIIEKLGGWDDKAL---AEDTELTIRVYNLGYHIRFFPAAITWEQEPETWKVWWRQRTRWARGNQYVVLKFLAQFFKLKRKRIIFDLFYFFFTYFLFFFGVIMSNAIFVVNLFYDLHLSVGFLAMILWILAFFLFMTEVMITLSIEKTEMNKQNFFIVFLMYFTYSQAWIVLVIYSLFVEIKHRLFKQEVKWYKTERYNQHKSG 5AJO Chain:A ((132-362)) --------------------------------------------RVDLPATSVVITFHNEARSALLRTVVSVLKKSPPHLIKEIILVDDYSNDPEDGALLGKI---EKVRVLR---NDRREGLMRSRVRGADAAQAKVLTFLDSHCECNEHWLEPLLERVAED-RTRVVSPIIDVINMDNFQYVGASADLKGGFDWNLVFKWDYMTPEQRRSRQGNPVAPIKTPMIAGGLFVMDKFYFEELGKYDMMMDVWGGENLEISFRVWQCGGSLEIIPCSRVGHVFR-------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5AJO.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 : 1132 -108922 -96.22 -513.78 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -96.22 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.325

(partial model without unconserved sides chains): PDB file : Tito_5AJO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5AJO-query.scw PDB file : Tito_Scwrl_5AJO.pdb: