Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGVMRSPLLLAALADAAVPGIRPIKVEGLPVPAGDLYQSAHITGADGRVWLVRSALTGAAGAELAASDALVQLLTRRVDFDVPRVEGSARPK--EGSAVAVYARPRGRALDWRHL---A--GRSAAARALGQALAHLHGVDPRVVEEAGLATYDADTYRQRLRADVDRAAA---T---SRVPSALIARWREALDTPALWRFSTTVTHGPLRGADVHVDE--GEVSAISGWEHAGVADPARDFALLWN---SAPQQAFDTVFEAYAAERAERPDPNLERRVRLMGEMELAYALLASRTMGDDARVERHAAALEELAFEVEGDSSLLPPARRAGTAPIDLVPPLDPADIEVVDAEVGEEDATVEIPVRLAPEREDRSEHAGATRVDGDAARTRLPHGSSEEPAASSDDSAGAVADESSGGNARSR 3N4U Chain:A ((2-297)) --RTYTFDQVEKAIEQLYPDFTINTIEIS--GEGNDC-IAYEI---NRDFIFKFPKHSRGSTNLFNEVNILKRIHNKLPLPIPEVVFTGMPSETYQMSFAGFTKIKGVPLTPLLLNNLPKQSQNQAAKDLARFLSELHSINISGFKSNLVL-----DFREKINEDNKKIKKLLSRELKGPQMKKVDDFYRDILENEIYFKYYPCLIHNDFSSDHILFDTEKNTICGIIDFGDAAISDPDNDFISLMEDDEEYGMEFVSKILNHYKHKD----IPTVLEKYRMKEKYWSFEKIIYGKEYGYMDWYEEGLNEIRS--------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3N4U.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 : 1228 -36080 -29.38 -129.78 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -29.38 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.403

(partial model without unconserved sides chains): PDB file : Tito_3N4U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3n4u-query.scw PDB file : Tito_Scwrl_3N4U.pdb: