Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------------------------------------------------------------------------------------------------------------------------------------------MYSFTKGAIILSGGSI-MKKKPIYLWVLLILSALI--SVPSLFGIVSPLPSKEALRAAQKQVAGVNAQQLEDQLNYTYRVAEASHSIFNVALIVLSTILVVVAIVFLVRKNLQYANYTYVGYVLLAIIG---SIYGY----VGL-QDAVQLVQDESMRLTVSIGSKAVSIFYIVIN-------VLFLALVFYKMWRQQKALAEEEETEELT------------------------------------------------------------------------------------------------------------------------------------------------------ 2OCC Chain:A ((1-514)) MFINRWLFSTNHKDIGTLYLLFGAWAGMVGTALSLLIRAELGQPGTLLGDDQIYNVVVTAHAFVMIFFMVMPIMIGGFGNWLVPLMIGAPDMAFPRMNNMSFWLLPPSFLLLLASSMVEAGAGTGWTVYPPLAGNLAHAGASVDLTIFSLHLAGVSSILGAINFITTIINMKPPAMSQYQTPLFVWSVMITAVLLLLSLPVLAAGITMLLTDRNL-----NTTFFDPAGGGDPILYQHLFWFFGHP--EVYILILPGFGMISHIVTYYSGKKEPFGYMGMVWAMMSIGFLGFIVWAHHMFTVGMDVDTRAYFTSATMIIAIPTGVKVFSWLATLHGGNIKWSPAMMWALGFIFLFTVGGLTGIVLANSSLDIVLHDTYYVVAHFHYVLSMGAVFAIMGGFVHWFPLFSGYTLNDTWAKIHFAIMFVGVNMTFFPQHFLGLSGMPRRYSDYPDAYTMWNTISSMGSFISLTAVMLMVFIIWEAFASKREVLTVDLTTTNLEWLNGCPPPYHTFEEPTYVNLK

General information: TITO was launched using: RESULT: Template: 2OCC.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 : 753 -90909 -120.73 -488.76 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.49 3D Compatibility (PKB) : -120.73 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.49 QMean score : 0.275

(partial model without unconserved sides chains): PDB file : Tito_2OCC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2OCC-query.scw PDB file : Tito_Scwrl_2OCC.pdb: