Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQESNTLIFDVPDAFQVESIIGQGAYGAVCKAVFCDD--QIAVKKIPHYSRSEDTARRVLREIEILQNLQFCEQVVGCRLFFRPK---SEEKDVYVAMDYIPADLSSVIKNGAITLDESVVRYITCQLLLALRALHRCKVLHRDVSTRNILIHYNSQVFLCDFGLSRFFDPDEQLSFGVVTQWYRAPEIILD-AAYSYASDVWSVGVILGELLLRRHLFPGKSNDSANQLQLIFHLVGTPSKDVFDADRSFGRASQNAKNYALAYIERRPCPSTLVNLLSTAPVLHHSAI-AAVPPQAVQLAEQLLQFDPAKRPSADEALRHPWFDPCRAFIDEVVQHQDEEEIPVFTQTQNMNVEELVKRIEEVVPVFSEDLLVEDDGGGAAGSA 3GCS Chain:A ((11-319)) -QELNKTIWEVPERYQNLSPVG---YGSVCAAFDTKTGLRVAVKKLSRPFQSIIHAKRTYRELRLLKHMKH-ENVIGLLDVFTPARSLEEFNDVYLVTHLMGADLNNIVKSQKLTDDH--VQFLIYQILRGLKYIHSADIIHRDLKPSNLAVNEDSELKILDFG----------------TRWYRAPEIMLNWMHYNQTVDIWSVGCIMAELLTGRTLFPG--TDHIDQLKLILRLVGTPGAELLKK-----ISSESARNY--------------IQSLTQMPKMNFANVFIGANPLAVDLLEKMLVLDSDKRITAAQALAHAYF----------AQYHDPDDEPV----------------------------------------

General information: TITO was launched using: RESULT: Template: 3GCS.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 : 1341 -51672 -38.53 -181.31 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -38.53 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.532

(partial model without unconserved sides chains): PDB file : Tito_3GCS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GCS-query.scw PDB file : Tito_Scwrl_3GCS.pdb: