Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGNTLFFISLSLIWVMLLYHMFLMQGGFRHYMTFERNIPKWRENMKELPKVSVLIPAHNEEV-VIRQTLKAMVNLYYPKDRLEIIVVNDNSSDR-----TGDIVNEFSEKYDFIKMVI--------TKPPNAGKGKSSALNSGFAESNGDVICVYDADNTPEKMAVYYLVLGLMNDEKAGAVVGKFRVINAAKTLLTRFINIETIC------FQWMAQGGRWKWFKIATIPGTNFAIRRSIIEKLGGWDDKALAEDTELTIRVYNLGYHIRFFPAAITWEQEPETWKVWWRQRTRWARG-NQYVVLKFLAQFFKLKRKRIIFDLFYFFFTYFLFFFGVIMSNAIFVVNLFYDLHLSVGFLAMILWILAFFLFMTEVMITLSIEKTEMNKQNFFIVFLMYFTYSQAWIVLVIYSLFVEIKHRLFKQEVKWYKTERYNQHKSG 4HG6 Chain:A ((119-394)) --------------------------GFLSADPTDRPFPRPLQP-EELPTVDILVPSYNEPADMLSVTLAAAKNMIYPARLRTVVLCDDGGTDQRCMSPDPELAQKAQERRRELQQLCRELGVVYSTRERNE-HAKAGNMSAALERLKGELVVVFDADHVPSRDFLARTVGYFVEDPDLFLVQTPHFFINPDP--IQRNLALGDRCPPENEMFYGKIHRGLDRWGG-AFFCGSAAVLRRRALDEAGGFAGETITEDAETALEIHSRGWKSLYIDRAMIAGLQPETFASFIQQRGRWATGMMQMLLLK--------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4HG6.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 : 1191 -90621 -76.09 -355.38 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -76.09 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.221

(partial model without unconserved sides chains): PDB file : Tito_4HG6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HG6-query.scw PDB file : Tito_Scwrl_4HG6.pdb: