Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAFRNNVPQASWRLAKIALGGIVLTGLAVGTYAYAQQKPLPTVDKVELDRYLGVWYEVARKPAFFQKKCAYNVSATYTLN-ENGNIVVDNRCYDNQKQLQQSISEAFVVNPPYNTKLKVSFLPEAVRWIPIIRGDYWILKLDEDYQTVLV--GEP----SRKYLWVLSRTPHPHKEVVDEYLNYAKTLGFDIRDIIHTEYKE 1GKA Chain:B ((7-167)) -------------------------------VTAGKCASVANQDNFDLRRYAGRWYQTHIIENAYQPVT-RCIHSNYEYSTNDYGFKVTTAGFNPNDEYLKIDFKVYPTKEFPAAHMLIDAPS-------VFAAPYEVIETDY-ETYSCVYSCITTDNYKSEFAFVFSRTPQTSGPAVEKTAAVFNKNGVEFSKFVPVSHT-

General information: TITO was launched using: RESULT: Template: 1GKA.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 776 -18994 -24.48 -123.33 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.65 3D Compatibility (PKB) : -24.48 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.382

(partial model without unconserved sides chains): PDB file : Tito_1GKA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1GKA-query.scw PDB file : Tito_Scwrl_1GKA.pdb: