Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDSNLTNPIKAFFHDEFPEQYQEPPGLQKNMKPVPDCGEKSYKGSGKLTGRKALVTGGDSGIGRAAAIAYAREGADVAINYLPEEQPDAEEVKELIEAEGRKAVLIPGDLSDESFCQDLVKQSHHELGGLDVLALVAGKQQAVENIEDLPTEQIYKTFEVNVFSLYWVVKAALPYLPEGASIITTTSVEGYNPSPMLLDYAATKNAIIGFTVGLGKQLASKGIRVNSVAPGPIWTPLQISGGQPTENI-PKFGQGTPPAPLNRAGQPVELADVYVFLASENSSYVTSQVYGITGGIPTA 4BMN Chain:C ((7-250)) -----------------------------------------------RLLNKTAVITGGNSGIGLATAKRFVAEGAYVFI--VGRRRKELEQAAAEI---GRNVTAVKADVTKLEDLDRLYAIVREQRGSIDVLFANSGAIEQ-KTLEEITPEHYDRTFDVNVRGLIFTVQKALPLLRDGGSVILTSSVAGVLGLQAHDTYSAAKAAVRSLARTWTTELKGRSIRVNAVSPGAID------------ELRAKFAAAT---PLGRVGRPEELAAAVLFLASDDSSYVAGIELFVDGGL---

General information: TITO was launched using: RESULT: Template: 4BMN.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1267 -129175 -101.95 -566.56 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain C : 0.76 3D Compatibility (PKB) : -101.95 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.562

(partial model without unconserved sides chains): PDB file : Tito_4BMN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BMN-query.scw PDB file : Tito_Scwrl_4BMN.pdb: