Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSPIQEQVQKEKRSNIPSISEMKVIPVAGHDSMLLNLSGAHSPFFTRNIVILTDSSGNQGVGEVPGGEHIRRTLELSEPLVVGKSIGAYQAILQTVRKQFGDQDRGGRGNQTFDLRTTVHAVTALEAALLDLLGKFLQEPVAALLGEGKQRDEVKMLGYLFYIGDRNRTTLPYQSDEQSDCAWFRLRHEEALTPEAIVRLAESAQERYGFQDFKLKGGVLRGEEEIEAVTALSKRFPEARITLDPNGAWSLEEAIALCKGKQDVLAYAEDPCGDENGYSAREVMAEFRRATGLPTATNMIATDWREMGHAIQLHAVDIPLADPHFWTMQGSVRVAQMCHDWGLTWGSHSNNHFDISLAMFTHVAAAAPGRITAIDTHWIWQDG-QRLTKQPFEISSGCVKVPDKPGLGVDIDMEQVEKAHEIYRKMNLGARNDAIPMQFLISNWEFDRKRPCLVR 1ECQ Chain:B ((8-446)) -----------------PVVTEMQVIPVAGHDSMLMNLSGAHAPFFTRNIVIIKDNSGHTGVGEIPGGEKIRKTLEDAIPLVVGKTLGEYKNVLTLVRNTFADRDAGGRGLQTFDLRTTIHVVTGIEAAMLDLLGQHLGVNVASLLGDGQQRSEVEMLGYLFFVGNRKATPLPYQSQPDDSCDWYRLRHEEAMTPDAVVRLAEAAYEKYGFNDFKLKGGVLAGEEEAESIVALAQRFPQARITLDPNGAWSLNEAIKIGKYLKGSLAYAEDPCGAEQGFSGREVMAEFRRATGLPTATNMIATDWRQMGHTLSLQSVDIPLADPHFWTMQGSVRVAQMCHEFGLTWGSHSNNHFDISLAMFTHVAAAAPGKITAIDTHWIWQEGNQRLTKEPFEIKGGLVQVPEKPGLGVEIDMDQVMKAHELYQKHGLGARDDAMGMQYLIPGWTFDNKRPCMVR

General information: TITO was launched using: RESULT: Template: 1ECQ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2838 -222401 -78.37 -507.76 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.93 3D Compatibility (PKB) : -78.37 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.93 QMean score : 0.596

(partial model without unconserved sides chains): PDB file : Tito_1ECQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1ECQ-query.scw PDB file : Tito_Scwrl_1ECQ.pdb: