Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMTEQKSALSLRYFLNLEESQDGFGLVTFGKKQFTRFLTPVISIAIIIWGLYLGFSGVGRYYVALGVFFLVMQGLMRYWLLPMMFKRQFVRYQFGKSEQGIDLY--QDYFEFYAAGRKQAVQYSEVQTFAKGKL----------------TYMLELKNKTVIIVPKRAFAQASDQTIFENTFKK 4CHM Chain:A ((38-121)) --------------------------------------------------------------------------------------------------CILHYNEADSSLSISCEDKVRVIPLSDIKALLHTRDQLQRVETKANLVDDESCVALHLLE-SGNCIPLR-FDGVKDKTCFVDLLKK

General information: TITO was launched using: RESULT: Template: 4CHM.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 : 216 617 2.86 9.35 target 2D structure prediction score : 0.36 Monomeric hydrophicity matching model chain A : 0.53 3D Compatibility (PKB) : 2.86 2D Compatibility (Sec. Struct. Predict.) : 0.36 1D Compatibility (Hydrophobicity) : 0.53 QMean score : 0.319

(partial model without unconserved sides chains): PDB file : Tito_4CHM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CHM-query.scw PDB file : Tito_Scwrl_4CHM.pdb: