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 4P00 Chain:A ((120-395)) --------------------------GFLSADPTDRPFPRPLQP-EELPTVDILVPSYNEPADMLSVTLAAAKNMIYPARLRTVVLCDDGGTDQRCMSPDPELAQKAQERRRELQQLCRELGVVYSTRERNE-HAKAGNMSAALERLKGELVVVFDADHVPSRDFLARTVGYFVEDPDLFLVQTPHFFINPDP--IQRNLALGDRCPPENEMFYGKIHRGLDRWGG-AFFCGSAAVLRRRALDEAGGFAGETITEDAETALEIHSRGWKSLYIDRAMIAGLQPETFASFIQQRGRWATGMMQMLLLK--------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4P00.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 : 1237 -106100 -85.77 -416.08 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -85.77 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.261

(partial model without unconserved sides chains): PDB file : Tito_4P00.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4P00-query.scw PDB file : Tito_Scwrl_4P00.pdb: