Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQEMETRYTHSPEDIRHYSTEQLRKEFLVEKVFEPGKISLTYTHNDRMIFGGVTPTEKELEITLDKELGVDYFLERRELGVINIGGPGFIEIDGQKEEMKKQDGYYI-GKETRHVVFSSQDAENPAKFYISSVPAHHK-YPNV-KISIDQVKPMETGEGLTLNERKIYQYIHPNVCESCQLQMGYTIL-EPGSAWNTMPCHTHERRMEAYVYFDYANEDTRVFHMMGKPDETKHLVVDNEQAIISPSWSIHSGVGTS--NYSFIWAMCGENITYTDMDMVQMDQLK 3H9A Chain:B ((55-225)) -----------------------------------------------------------------------------VQIGMVVSGELMMTVGDVTRKMTALESAYIAPPHVPHGARND-T-DQEVIAIDIKRLKADETYTSPEDYFLDIFKTRDLLP--GMEV----TFFV-----EDWVEIMLAKIPGNGG---EMPFHKHR-NEQIGICIGG----GYDMT-VE--GCT--VEMKFGTAYFCEPREDHGAINRSEKESKSINIFFPPRYNR------------

General information: TITO was launched using: RESULT: Template: 3H9A.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 845 -24527 -29.03 -148.65 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain B : 0.62 3D Compatibility (PKB) : -29.03 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.317

(partial model without unconserved sides chains): PDB file : Tito_3H9A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3H9A-query.scw PDB file : Tito_Scwrl_3H9A.pdb: