Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------------------------------------MSNIISKEQDEAIK-YFRNKLNLSDKDLYIPLINFELLRDKNEQYANILYELYKNDPYLFIRALKEGYVVNQPIAFDEAIVRFFN-GEELAIVHKTTGRRYNVNVKMKQLPDGF-----SLQTMDMWLWSELV---------------- 3B21 Chain:A ((21-212)) NVNVKKLLESLNSKSLGDMDKDSELAATLQKMINPSGGDGNCSGCALHACMAMLGYGVREAPVPNEISEYMTGFFHRHLEQIDSE--------GIVSHPNETYSKFRERIAEN----ILQNTSKGSVVMISIEQATHWIAGFNDGEKIMFLDVQTGKGFNLYDPVEKSPDAFVDENSSVQVIHV---SDQEFDHYANSSSWKSKRLC

General information: TITO was launched using: RESULT: Template: 3B21.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 : 244 13512 55.38 121.73 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 55.38 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.367

(partial model without unconserved sides chains): PDB file : Tito_3B21.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3B21-query.scw PDB file : Tito_Scwrl_3B21.pdb: