Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSRSQLTILTNICLIEDLETQRVVMQYRAPENNRWSG--YAFPGGHVENDEAFAESVIREIYEETGLTIQNPQLVGIKNWPLDTGGRYIVICYKATEFSGTLQ-SSEEGEVSWVQKDQIPNLNLAYDMLPLMEMMEAPDKSEFFYPRRTEDDWEKKIF 3GRN Chain:A ((2-123)) -SLEKPYIISVYALIRNEKGEFLLL--RRSENSRTNAGKWDLPGGKVNPDESLKEGVAREVWEETGITMVPGDIAGQVNFEL-TEKKVIAIVFDGGYVVADVKLSYEHIEYSWVSLEKI----LGMETLP----------------------------

General information: TITO was launched using: RESULT: Template: 3GRN.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 : 520 -16101 -30.96 -135.30 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -30.96 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.524

(partial model without unconserved sides chains): PDB file : Tito_3GRN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GRN-query.scw PDB file : Tito_Scwrl_3GRN.pdb: