Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFMTESRLTHLKQLEAESIHI-IREVAAEF----ENPVMLYSIGKDSAVMLHLALKAFYP------------------AKLPFPLLHVDTGWKFKDMIAFRDNMAKTHGFDLIVHQNKEGREAGINPFDHGSSKYTDIMKTQALKQALDK-YQFDAAFGGARRDEEKSRAKERVYSFRDSKHRWDPKNQRPELWNLYNGKVNKGESIRVFPLSNWTELDIWQYIYLENIQIVPLYFSAVRPVVERSGTLIMVDDERMRLKEGEVPQMKSVRFRTLGCYPLTGAVESEADTLPEIIQEMLLATSSERQGRMIDHDEAGSMEKKKQEGYF 3G5A Chain:B ((30-235)) -----SIIAQTQRAINTTKSILINETFPKWSPLNGEISFSYNGGKDCQVLLLLYLSCLWEYYIVKLSQSQFDGKFHRFPLTKLPTVFIDHDDTFKTLENFIEETSLRYSLSLYESDR---------------DKCETMAE--AFETFLQVFPETKAIVIGIRHTDPFGEHLKPIQK---TD-------------------ANWPDFYRLQPLLHWNLANIWSFLLYSNEPICELYRY---------------------------------GFTSLGNVEETLP---------------------------------------------

General information: TITO was launched using: RESULT: Template: 3G5A.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 : 749 3370 4.50 18.51 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain B : 0.64 3D Compatibility (PKB) : 4.50 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.459

(partial model without unconserved sides chains): PDB file : Tito_3G5A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3G5A-query.scw PDB file : Tito_Scwrl_3G5A.pdb: