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

General information: TITO was launched using: RESULT: Template: 3GCP.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 : 1382 -53609 -38.79 -184.86 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -38.79 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.536

(partial model without unconserved sides chains): PDB file : Tito_3GCP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GCP-query.scw PDB file : Tito_Scwrl_3GCP.pdb: