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

General information: TITO was launched using: RESULT: Template: 3GCV.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 : 1381 -68624 -49.69 -236.63 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -49.69 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.494

(partial model without unconserved sides chains): PDB file : Tito_3GCV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GCV-query.scw PDB file : Tito_Scwrl_3GCV.pdb: