Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQTLIFMHETGKISIDFFKECIMQDIPMSRWLSPLMAFCLSFVIMATLAPTMGIQIDRQIDFWLLWFGTMLLLALPVCYLEIALAKRSKTTALNALSSLTREADSSPKWRVVGCLAVVFIPFLAGNVLSTASNILVAQFAPSISSQIIFVGLAVAALVLSFIPRQILILLMTLGVIASIVLANMMGSTLQPWHWTSVEFKEWGNATVLALVASGLGLGLYWQNSVGAVQAQEGATKTVLPIWLAQLIAVVAFGFFSLQAQLPVLTWIFTGVMTSALFVQLAREQLAQRQLMPVLQWVIIVVAIAVWAVPEVHNLFTLILMQWGLLICLIYAVFAGWIMKISHLRKSMNFSNELFYNLWRIAVRIVLPLSIIVAMIAVIGQSI 4US3 Chain:A ((397-448)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LGGMIIALFIGWGWKTSDALAESDLTDSVWGKLWILSLRFIAPIAILIVFLS------

General information: TITO was launched using: RESULT: Template: 4US3.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 : 125 -25682 -205.46 -493.88 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain A : 0.42 3D Compatibility (PKB) : -205.46 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.42 QMean score : 0.355

(partial model without unconserved sides chains): PDB file : Tito_4US3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4US3-query.scw PDB file : Tito_Scwrl_4US3.pdb: