Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKLIEFKHVQKKYDGKYVIDDLNLAIKKGEIFVLVGPSGSGKTTTLKMINGLSKPSAGDIYFKGKSLNEYNLQKMRWNMGYVLQQ-IALFPTMTVKQNIEVIPEMLGWEKQKRADRVDELLQKVGLSPDIYRDRMPRELSGGEQQRIGIIRAIAASPDVILMDEPFSALDPISRNSLQELVLSLHEELGTTIVFVTHNMEEAIKLGDRIAFMKDGEIIQCDTPEQLLMNPKNDYVRHFFDEPKQTKEWRVEDLVVNGYFLNEIPENARQQVCFDTPMKEVYSLLSVYPSIVIVEKQRSIGSLTSKEIFAFLSREEEGNENI 4HLU Chain:C ((12-242)) ----IELNSVSFRYNGDYVLKDVNAEFETGKIYVVVGKNGSGKTTLLKILAGL-LAAAGEIFLDGSPADPFLLRK---NVGYVFQNPSSQIIGATVEEDVAFSLEIMGLDESEMRKRIKKVLELVGLSGLAAAD--PLNLSGGQKQRLAIASMLARDTRFLALDEPVSMLDPPSQREIFQVLESLKNE-GKGIILVTHELEYLDDM-DFILHISNGTIDFCGSWEE--------FVEREFDDVEIPFKWKL-----------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4HLU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1180 -69959 -59.29 -304.17 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain C : 0.73 3D Compatibility (PKB) : -59.29 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.401

(partial model without unconserved sides chains): PDB file : Tito_4HLU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HLU-query.scw PDB file : Tito_Scwrl_4HLU.pdb: