Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MREELKGIFASVFGEKEGLRFFFAPGRVNLIGEHTDYNGGHVFPCALT-MGTYAAVAERNDGLVRMYSDNFRNAGIKECSLDDIRYQKEDDWANYPKGVIYEFQQRGYAVPHGFDIVFSGNIPNGAGLSSSASIELLMGVVLQSYFHPEVDALELVKMAQHAENHFIGVNCGIMDQFA-IGMGKKHHAMLLNCDT-LDYEYSKLNVSGLALVIANTNKKRTLADSSYNTRRQECNDALLDLKKGLDIAALGDIKPSDFDAHSSLIQNETNRRRAKHAVYENHRAIKTAHMFKENNIDEIGQLMKESHLSLKDDYEVTCPELDELVFAAWDHEGVIGSRMTGAGFGGCTISIVKDEF-VDDFIQKVGDRYQEKTGLRADFYVADIG-EGARELKGE 4P52 Chain:A ((2-309)) ----------------KDSIKVFAPATVANVS-----CGFDVLGFAVDNPGDEVLLRLSDKKGVRITSITGDDG---RL-----P--KDAEKNTVSISILRYLETLG--IEQGIEIELTKKMPLGSGLGSSAASTVAGVYAINQLLGNKMEVKDLLPFAMEGEFLACG--SAHADNVAPCLYGGF---VLVRSYDPLDVVKLPVP-ANLYATIIHPHVEVQTKD---------ARNILPKQ--------------IAL----------------SQAVAQWGNVGGLVAGLLMNDTSLIGRSMQDH--IVEPARSVLIPGFDDVKKAALD-AGALGCSISGSG--PSIFALSTSQEAAQKIGQAMKKGFDA-INIGSDVYVSTVNQQGPKVI---

General information: TITO was launched using: RESULT: Template: 4P52.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 : 1817 -31999 -17.61 -105.61 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -17.61 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.438

(partial model without unconserved sides chains): PDB file : Tito_4P52.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4P52-query.scw PDB file : Tito_Scwrl_4P52.pdb: