Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKPFVFITKPIPEEIEAFIGE--HCRYEVWQED-TLPSDVLFEKLKEAEGLLTSGTSGPSINRELLEHA-PKLKVVSNQSVGYDNFDIEAMKERGVVGTHTPYTLDDTVADLAFSLILSSARRVAELDRFVRAGKWGTVEEEA---LFGIDVHHQTLGIIGMGRIGEQAARRAKFGFDMEVLYHNRHRKQET-EDSIGVKYAELDTLLEQSDFILLITPLTDETYHMIGEREFKLMKNSAIFVNISRGKTVDEKALIRALQEGWIRGAGLDVYEKEPVTQDNPLLQLDNVTLLPHIGSATAKVRFNMCKQAAENMLAAIQGQTPKNLTREFQ 2GCG Chain:A ((7-329)) -RLMKVFVTRRIPAEGRVALARAADCEVEQWDSDEPIPAKELERGVAGAHGLLC--LLSDHVDKRILDAAGANLKVISTMSVGIDHLALDEIKKRGIRVGYTPDVLTDTTAELAVSLLLTTCRRLPEAIEEVKNGGWT---SWKPLWLCGYGLTQSTVGIIGLGRIGQAIARRLK-PFGVQRFLYTGRQPRPEEAAEFQAEFVSTPELAAQSDFIVVACSLTPATEGLCNKDFFQKMKETAVFINISRGDVVNQDDLYQALASGKIAAAGLDVTSPEPLPTNHPLLTLKNCVILPHIGSATHRTRNTMSLLAANNLLAGLRGEPMPSELK---

General information: TITO was launched using: RESULT: Template: 2GCG.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 : 1700 -3078 -1.81 -9.77 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -1.81 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.578

(partial model without unconserved sides chains): PDB file : Tito_2GCG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2GCG-query.scw PDB file : Tito_Scwrl_2GCG.pdb: