Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTIHDAIALAASHGLNLVPRGARVNDAGLDYRVVMASDEGGRRWVLRLPRRADVAAGMAAEARVLGLVGPVLAADGIAVPDWRIRSPELVAYPALTGAPGLTLNDD-GRPDWHMDPAS-PD-YAVRLGRLLARLHSITGEQAAAAGVEVRTPEQVRQSWRDDIAEVRSEFTVAPELAEAWQSWLADDTCWPDQTVMTHGEIYPAHVLLGEDGTLVGLLDWTTARVDDPARDLAAQYGAAGDEMLQTTVAAYAQAGGQVRPGLVAQTRRLWHAASIGYARYALTTRAEGDVAAAAAMLNPRSRRR 5UXA Chain:A ((5-287)) ---IKQVIEIAKKHNLFLKEETIQFNESGLDFQAVFAQDNNGIDWVLRLPRREDVMPRTKVEKQALDLVNKY--AISFQAPNWIIYTEELIAYKKLDGVPAGTIDHNIGNYIWEIDINNVPELFHKSLGRVLAELHSIPSNKAAALDLVVHTPEEARMSMKQRMDAVRAKFGVGENLWNRWQAWLNDDDMWPKKTGLIHGDVHAGHTMIDKDANVTGLIDWTEAKVTDVSHDFIFNYRAFGEEGLEALILAYKEIGGYYWPKMKEHIIELNAAYPVSIAEFALVSGIE-----------------

General information: TITO was launched using: RESULT: Template: 5UXA.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 : 1217 -48945 -40.22 -174.80 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -40.22 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.528

(partial model without unconserved sides chains): PDB file : Tito_5UXA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5uxa-query.scw PDB file : Tito_Scwrl_5UXA.pdb: