Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------MTQMRF------TEEDF------NTFTIEGLDARMEVLKETV---------RPKLTALGE--HFAP-TLSALTGDEMFPHVAKHARRSVNPPADSWVAFANSKRG---------YKKLP---------HFQI-------GLWESHVFVW-FAIIYESPIKEEYGK------------LLEVNQE------TITKNIPDSFVWSADHTKPGVHKQSEMDKEQLKTLFE---RLQTVKKAELLCGIQLQKEEVLNMNNQEFLQR--------------IDDAFKQLAFLYRLTQKVTQA------ 4BE3 Chain:A ((1-312)) TKYPSELIPQMDEWKILLGDGTHKEDLVNYAKDDFFYVEHENETDWVVFKTPNSGITSRTSSNTRTELGQKKHWIPETGGKLNATLKVQHVSTSGDARVAASYSVVVGQIHSDEGHENEPIKIFYKKFPGHTKGSVFWNYEINTKGDNSKRWDYSTAVWGYDMSVVGPTATSYPEEPEDGIALGEEFSYEINVYEGIMYLTFSSEGHKTIKFTKNLLKSNFTKKSDI-PQQIKTLYASIGRDGIERENAYAGEIQYFKLGAYNQTNGKSPEDNLVWSTGADVYDGDIAKQYANGSYAEVWFKEATLGSGSAPE

General information: TITO was launched using: RESULT: Template: 4BE3.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 : 1028 -15417 -15.00 -73.06 target 2D structure prediction score : 0.32 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -15.00 2D Compatibility (Sec. Struct. Predict.) : 0.32 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.066

(partial model without unconserved sides chains): PDB file : Tito_4BE3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BE3-query.scw PDB file : Tito_Scwrl_4BE3.pdb: