Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLYNKSELRYSRIFFDKRPPAFAFILIISTAIILSGALVGAAYIPKNYIVKANGNSVITGTEFLSAISSGKVVTLHKSEGDMVNAGDVIISLSSGQEGLQASSLNKQLVKLRAKEAIFQKFEQSLNEKYNRMSNSGEEQEYYGKVEYYLSQLNSENYNNGTQYSKIQDEYTKLNKITAERNQLDADLQTLQNELIQLQQQGDSPSLSDTTSADDKAKLETKILEITTKIEALKTNITSKNSEIDSQQSNIKDMNRTYNDPTSQAYNIYAQLVSELGTARSNNNKSITELEANLGVATGQDKAHSILAPNEGTLHYLVPLKQGMSIQQGQ---TIAEVSGKEKGYYVEAFVLASDISRVSKGAKVDVAITGVNSQKYGTLKGQVRQIDSGTISQETKEGNISLYKVMIELETLTLKHGSETVVLQKDMPVEVRIVYDKETYLDWILEMLSFKQ 5NIK Chain:G ((48-302)) ------------------------------------------------QSVLATGKLDALRKVDVGAQVSGQLKTLSVAIGDKVKKDQLLGVIDPEQAENQIKEVEATLMELRAQRQQAEAEL--------------------------------------------KL-------ARVT-------Y----SRQQRLAQTQAVSQ---------------------QDLDNAATEMAV------------------------------------KQAQIGTIDAQIKRNQASLDTAKTNLDYTRIVAPMAGEVTQI-TTLQGQTVIAAQQAPNILTLADM-SAMLVKAQVSEADVIHLKPGQKAWFTVLGDQ---LTRYEGQIKDVLPTPEKVN----DAIFYYARFEVPNP-------NGLLRLDMTAQVHIQLTD---------------

General information: TITO was launched using: RESULT: Template: 5NIK.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain G - contact count / total energy / energy per contact / energy per residue : 919 -2016 -2.19 -8.00 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain G : 0.62 3D Compatibility (PKB) : -2.19 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.448

(partial model without unconserved sides chains): PDB file : Tito_5NIK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5NIK-query.scw PDB file : Tito_Scwrl_5NIK.pdb: