Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSAYQLPTVWQDEASNQGAFTGLNRPTAGARFEQNLPKGEQAFQLYSLGTPNGVKVTILLEELLEAGFKEAAYDLYKIAIMDGDQFGSDFVKLNPNSKIPALLDQSG--TEDVRVFESAHILLYLAEKFGAFLPSNPVEKVEVLNWLFWQAGAAPFLGGGFGHFFNY--APEKLEYPINRFTMEVKRQLDLLDKELAQKPYIAGNDYTIADIAIWSWYGQLVQGNLYQGSAKFLDASSYQNLVKWAEKIANRPAVKRGLEVTYTEIK 4NHZ Chain:H ((19-255)) ------------------YFQSMSDLSSFPITKRWPAQHSDRIQLYSLPTPNGVKVSIMLEET------GLPYEPHAIDFGKDHQKTPEFLSLNPNGKIPAIIDPNGPGDKPLGLFESGAILQYLAEKTGQFLPADPARRWQTLQWLHFQMGGIGPMFGQLGFFHKFAGREYEDKRPLQRYVAESKRLLGVLEARLDGRQWIMDADYTIADIATLGWVRNLIGFYGA---RELVAFDELTHVPAWLERGLARPAVQRGLEIPKR---

General information: TITO was launched using: RESULT: Template: 4NHZ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain H - contact count / total energy / energy per contact / energy per residue : 1137 -25127 -22.10 -107.84 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain H : 0.77 3D Compatibility (PKB) : -22.10 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.398

(partial model without unconserved sides chains): PDB file : Tito_4NHZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NHZ-query.scw PDB file : Tito_Scwrl_4NHZ.pdb: