Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVNIIQDFIPVGANNRPGYAMTPLYITVHNTANTAVGADAAAHARYLKNPDT-TTSWHFTVDDTEIYQHLPLNENGWHAGDGNGSGNRASIGIEICENADGDFAKATANA-QWLIKTLMAEHNISLA--------NVVPHKYWSGK------ECPRKLLD----TWDSFKAGIGGGGSQTYVVKQGDTLTSIARAFGVTVAQLQEWNNIEDPNLIRVGQVLIVSAPSAAEKPELYPLPDGIIQLTTPYTSGEHVFQVQRALAALYFYPDKGAVNNGIDGVYGPKTADAVARFQSVNGLTADGIYGPATKEKIAAQLS 4KNK Chain:A ((61-208)) --------------------GRPEGIVVHDTANDRSTINGEIS-YMK--NNYQNAFVHAFVDGDRIIETAPTDYLSWGVGA---VGNPRFINVEIVHTHDYASFARSMNNYADYAATQLQYYGLKPDSAEYDGNGTVWTHYAVSKYLGGTDHADPHGYLRSHNYSYDQLYDLIN-----------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4KNK.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 : 615 -54951 -89.35 -429.30 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -89.35 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.498

(partial model without unconserved sides chains): PDB file : Tito_4KNK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KNK-query.scw PDB file : Tito_Scwrl_4KNK.pdb: