Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MATSTPIVKSIRAIPVAGHDSMLLNLSGAHGPYFTRNILIIEDNSGNIGVGEIPGGEKILATLNDAKALVEGQPIGEYKNLLKKIQQTFADRDSGGRGNQTFDLRTTIHVVTAYESALLDLLGKHLNVNVASLLGEGQQRSEVEVLGYLFFIGDRKQTSLDYATSTQQH-EWYKVRHEKALTPEAVQRLAEASYDRYGFKDFKLKGGVLQGEQEAEAVTAIARRFPDARVTLDPNGAWFLDEAIALGKHLKGVLAYAEDPCGAEQGYSSREIMAEFKRATGLPTATNMVATDWREMSHSIQLQAVDIPLADPHFWTLEGSVRVSQLCKMYNLTWGSHSNNHFDISLAMFTHVAAAAVGNVTAIDTHWIWQEGTDQLTKVPLEIKDGKIQVPTAPGLGVELDWDRINQAHELYKLKGLGARNDADAMQFLIPNWTFNNKKPCLVR 3PWI Chain:A ((7-446)) ----TPVVTEMQVIPVAGHDSMLMNLSGAHAAFFTRNIVIIKDNSGHTGVGEIPGGEKIRKTLEDAIPLVVGKTLGEYKNVLTLVRNTFADRDAGGRGLQTFDLRTTIHVVTGIEAAMLDLLGQHLGVNVASLLGDGQQRSEVEMLGYLFFVGNRKATPLPYQSQPDDSCDWYRLRHEEAMTPDAVVRLAEAAYEKYGFNDFKLKGGVLAGEEEAESIVALAQRFPQARITLDPNGAWSLNEAIKIGKYLKGSLAYAEDPCGAEQGFSGREVMAEFRRATGLPTATNMIATDWRQMGHTLSLQSVDIPLADPHFWTMQGSVRVAQMCHEFGLTWGSHSNNHFDISLAMFTHVAAAAPGKITAIDTHWIWQEGNQRLTKEPFEIKGGLVQVPEKPGLGVEIDMDQVMKAHELYQKHGLGARDDAMGMQYLIPGWTFDNKRPCMVR

General information: TITO was launched using: RESULT: Template: 3PWI.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 : 2818 -38244 -13.57 -87.12 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.94 3D Compatibility (PKB) : -13.57 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.94 QMean score : 0.590

(partial model without unconserved sides chains): PDB file : Tito_3PWI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PWI-query.scw PDB file : Tito_Scwrl_3PWI.pdb: