Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MERKTVLVIADLGGCPPHMFYKSAAEKYNLVSFIPRPFAITASHAALIEKYSVAVIKDKDYFKSLADFEHPDSIYWAHEDHDKPEEEVVEEIVKVAGM-FAVDAITTNNELFIAPMAKACERLGLRGAGVQAAENARDKNKMRAAFNRAGVKSIKNKRVTTLEDFRAALQEIGTPLILKPTYLASSIGVTLI---KEMETAEAEFNRVNEYLKSINVPKAVTFEAPFIAEEFLQGEYDDWYETSGYSDYISIEGIMADGEYFPVAIHDKTPQIG--FTETSHITPSILDDDAKRKIVEAAKKANEGLGLENCATHTEIKLMKNREAGLIESAARFAGWNMIPNI-KKVFGVDMAQLLLDVLCFGKEADLPKGLLEQEPCYVADCHLYPQHFKENGQLPETAVDFVIESIDIPDGVLKGDTEIVSFSAAEAGTSVDLRLFEAFNSIAAFELKGSNSGDVAESIKQIQQQAKLTAKYALPV 3VOT Chain:A ((59-315)) ------------------------------------------------------------------------------------DEEAAMDVVRQTFVEFPFDGVMTLFEPALPFTAKAAEALNLPGLPFTTMENCRNKNKTRSILQQNGLNTPVFHEFHTLADLEN--RKLSYPLVVKPVN-----GVVRVDDRKELEEAVRKVEAVNQ--RDLN--RFVHGKTGIVAEQFIDG------------PEFAIETLSIQGNVHVLSIGYKGNSKGPFFEEGVYIAPAQLKEETRLAIVKEVTGAVSALGIHQGPAHTELRLDKDGTPYVIEVGARIGGSGVSHYIVKESTGINFMQLVLQ------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3VOT.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 : 1133 68401 60.37 279.19 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 60.37 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.481

(partial model without unconserved sides chains): PDB file : Tito_3VOT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VOT-query.scw PDB file : Tito_Scwrl_3VOT.pdb: