Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKKVRKAVIPAAGLGTRFLPATKAQPKEMLPIVDKPAIQYIVEEAAESGIEDILIITGRNKRSIEDHFDRSAELEFNLREKGKTETLKEMQ-QIADLANIHYIRQKEPLGLGHAVLCAEHFIGDEPFAVLLGDDIMVSETPALRQLMDVYDVYGTEVVGVQSVLPEDVSKYGIINTSGSQGHVYEVNDLVEKPSPEEAPSEIAVMGRYVLNSSIFSVLKTIGRGAGNEIQLTDALREVCRKEPIHARLLEGNRYDIGDKLGCFKASTEIGLMRPEMRSQLLAYLEDVIKRETKEMLR 5I1F Chain:A ((9-287)) -MLKVTKAVFPVAGLGTRFLPATKASPKEMLPVVDKPLIQYAVEEAIEAGITEMIFVTGRSKRAIEDHFDKSYEIEAELEARGKEKLLSLVRSIKPSHVDCFYVRQAEALGLGHAVLCAEKLVGDNPFAVILADDLLDGPTPVLRQMIDVFDHYHASVIGVEEIAPADSKSYGVIDGKRWEDDLFKLSGIVEKPEPAQAPSNFGVVGRYVLKPKIFKHLRGLKPGAGGELQLTDAIQSLLTDEQVLAYRYDGTRFDCGSKLGYLKATVEFALRHPEVAAD------------------

General information: TITO was launched using: RESULT: Template: 5I1F.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 : 1516 -57199 -37.73 -205.75 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -37.73 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.501

(partial model without unconserved sides chains): PDB file : Tito_5I1F.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5I1F-query.scw PDB file : Tito_Scwrl_5I1F.pdb: