Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------MLICPNCKSKDIGKIGVNQYYCWGC--FIELTVAKGKIATHQVEEDGTLSSLDDLFSEDERSINF------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 4NQA Chain:I ((5-389)) KGPAPKMLGHELCRVCGDKASG-FHYNVLSCEGCKGFFRRSVVRGGARRYACRGGGTCQ-MDAFMRRKCQQCRLRKCKEAGMREQCVLSEEQIRKKKIRKQQQQESQSQSQSPVGPQGSSSSASGPGASPGGSEAGSQGSGEGEGVQLTAAQELMIQQLVAAQLQCNKRSFSDQPKVTPWPLGADPQSRDARQQRFAHFTELAIISVQEIVDFAKQVPGFLQLGREDQIALLKASTIEIMLLETARRYNHETECITFLKDFTYSKDDFHRAGLQVEFINPIFEFSRAMRRLGLDDAEYALLIAINIFSADRPNVQEPGRVEALQQPYVEALLSYTRIKRPQDQLRFPRMLMKLVSLRTLSSVHSEQVFALRLQDKKLPPLLSEIWDV

General information: TITO was launched using: RESULT: Template: 4NQA.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain I - contact count / total energy / energy per contact / energy per residue : 128 -9693 -75.72 -158.89 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain I : 0.57 3D Compatibility (PKB) : -75.72 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.198

(partial model without unconserved sides chains): PDB file : Tito_4NQA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NQA-query.scw PDB file : Tito_Scwrl_4NQA.pdb: