Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQESNTLIFDVPDAFQVESIIGQGAYGAVCKAVF--CDDQIAVKKIPHYSRSEDTARRVLREIEILQNLQFCEQVVGCRLFFRPKS--EEKDVYVAMDYIPADLSSVIKNGAITLDESVVRYITCQLLLALRALHRCKVLHRDVSTRNILIHYNSQVFLCDFGLSRFFDPDEQ----LSFGVVTQWYRAPEIILD-AAYSYASDVWSVGVILGELLLRRHLFPGKSNDSANQLQLIFHLVGTPSKDVFDADRSFGRASQNAKNYALAYIERRPCPSTLVNLLSTAPVLHHSAIAAVPPQAVQLAEQLLQFDPAKRPSADEALRHPWFDPCRAFIDEVVQHQDEEEIPVFTQTQNMNVEELVKRIEEVVPVFSEDLLVEDDGGGAAGSA 4ZZN Chain:A ((8-316)) -------VFDVGPRYTNLSYIGEGAYGMVCSAYDNLNKVRVAIKKISPFEH-QTYCQRTLREIKILLRFRH-ENIIGINDIIRAPTIEQMKDVYIVQDLMETDLYKLLKTQ--HLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLLNTTCDLKICDFGLARVADPDHDHTGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHY--LDQLNHILGILGSPSQEDLNCIINL-----KARNYLLSLPHKNK-VPW------------NRLFPNADSKALDLLDKMLTFNPHKRIEVEQALAHPYLEQYYDPS------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4ZZN.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 : 1438 -46733 -32.50 -158.95 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -32.50 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.521

(partial model without unconserved sides chains): PDB file : Tito_4ZZN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ZZN-query.scw PDB file : Tito_Scwrl_4ZZN.pdb: