Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRAELDVTVDLARALLVEQHPDLAHLPLAVAANGWDNVMVRAG----SDLVLRLPRRAVAAPLLINERAALPLLEPV-LSAAVPGVLVPVPVREGAPSEALGYPWPWNVLRWVDGVRAASTPV------------ESRRAWAPTLGRFLAALHRPIADGVPVPR-NPFRGVPLAARAVPPFAHLAAHAQHLLPGADAAAHEAALRSTWAQALRA-PAYDGPPVWIHGDPHPANLVVAPGAPAPAAAGHGAHDRLVAVVDFGDVTAGDPASDLGSLWLTFDAEGRTACRRAMSDAGAVRDEATWVRARGWAMAFAGTMLAHPDE--HPTMVPIGEHALAALLDDR 5IWU Chain:A ((2-299)) -----SKDIKQVIEIAKKHNLFLKEETIQFNESGLDFQAVFAQDNNGIDWVLRLPRREDVMPRTKVEKQALDLVNKYAIS-----FQAPNWIIYT---------EELIAYKKLDGVPAGTIDHNIGNYIWEIDINNVPELFHKSLGRVLAELHSIPSNKAAALDLVVHTPEEA---RMSMKQRMDAVRA-KFG--VG----ENLWNRWQAWLNDDDMWPKKTGLIHGDVHAGHTMIDKDA------------NVTGLIDWTEAKVTDVSHDFIFNYRAFGEEGLEALILAYKEIGGYYWPKMKEHIIELNAAYPVSIAEFALVSGIEEYEQMAKEALEV-----

General information: TITO was launched using: RESULT: Template: 5IWU.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 : 1255 -36221 -28.86 -130.76 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -28.86 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.311

(partial model without unconserved sides chains): PDB file : Tito_5IWU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5iwu-query.scw PDB file : Tito_Scwrl_5IWU.pdb: