Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---MAFPHHTEHHAIQRSGWLRASVLGANDGIISVTSLIMGMAASGASSHTLFITCVAGLISGATSMAAGEYISVKSQEDIEKSDLAIEAKELKKYPQKELDELTQIYISRGLSKELAKEVAIQLTTHDALGAHARDEIGIHENTAANPIQAALSSAAS----FSFGAFFPMLAILFSPEHLIMPSVLITG--IAALAILGALSSYFAGTSKIKGSLRIT-LWGILAMAFSSWIGSLFNVTPL 4K6L Chain:G ((1-224)) VDFVYRVDSTPPDVIFRDGF---SLLGYNR---NFQQFISGRSCSGGSSDSRYIATTSS-VNQTYAIARAYYSRSTFKGNLYRYQIRADNNFYSLLPSITYLETQGGHFN-AYEKTMMRLQREYVSTLSILPENIQKAVALVYDSATGLVKDGVSTMNASYLGLSTTSNPGVIPFLPEPQTYTQQRIDAFGPLISSCFSIGSVCHSHRGQRADVYNMSFYDARPVIELILSK-----------

General information: TITO was launched using: RESULT: Template: 4K6L.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 : 1156 -17848 -15.44 -83.40 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain G : 0.66 3D Compatibility (PKB) : -15.44 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.144

(partial model without unconserved sides chains): PDB file : Tito_4K6L.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4K6L-query.scw PDB file : Tito_Scwrl_4K6L.pdb: