Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQTLIFMHETGKISIDFFKECIMQDIPMSRWLSPLMAFCLSFVIMATLAPTMGIQIDRQIDFWLLWFGTMLLLALPVCYLEIALAKRSKTTALNALSSLTREADSSPKWRVVGCLAVVFIPFLAGNVLSTASNILVAQFAPSISSQIIFVGLAVAALVLSFIPRQILILLMTLGVIASIVLANMMGSTLQPWHWTSVEFKEWGNATVLALVASGLGLGLYWQNSVGAVQAQEGATKTVLPIWLAQLIAVVAFGFFSLQAQLPVLTWIFTGVMTSALFVQLAREQLAQRQLMPVLQWVIIVVAIAVWAVPEVHNLFTLILMQWGLLICLIYAVFAGWIMKISHLRKSMNFSNELFYNLWRIAVRIVLPLSIIVAMIAVIGQSI 2C5I Chain:P ((7-29)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KKSLRVSSLNKDRRLLLREFYNL-------------------------

General information: TITO was launched using: RESULT: Template: 2C5I.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain P - contact count / total energy / energy per contact / energy per residue : 3 367 122.17 15.93 target 2D structure prediction score : 0.26 Monomeric hydrophicity matching model chain P : 0.36 3D Compatibility (PKB) : 122.17 2D Compatibility (Sec. Struct. Predict.) : 0.26 1D Compatibility (Hydrophobicity) : 0.36 QMean score : 0.300

(partial model without unconserved sides chains): PDB file : Tito_2C5I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2C5I-query.scw PDB file : Tito_Scwrl_2C5I.pdb: