Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKKSFSIVIAGGGSTFTPGIVLMLLDHLEEFPIRKLKLYDNDKERQDRIAGACDVFIREKAPDIEFAATTDPEEAFTDVDFVMAHIRVGKYAMRALDEQIPLKYGVVGQETCGPGGIAYGMRSIGGVLEILDYMEKYSPDAWMLNYSNPAAIVAEATRRLR--PNSKILNICDMP--VGIEDRMAQILGLSSRKEMKVRYYGLNHFGWWTSIQDQEGNDLMPKLKEHVSQYGYIPKTEAEAVEASWNDTFAKARDVQAADPDTLPN-TYLQYYLF-PDDMVKKSNPNH-TRANEVMEGREAFIFSQCDMITREQSSENSEIKIDD--HASYIVDLARAIAYNTGERMLLIVENNGAIANFDPTAMVEVPCIVGSNGPEPITVGTIPQFQKGLMEQQVSVEKLTVEAWAEKSFQKLWQALILSKTVPNARVARLILEDLVEANKDFWPELDQSPTRIS 1A5Z Chain:A ((1-311)) -----MKIGIVGLGRV-GSSTAFALLMKG-F--AREMVLIDVDKKRAEGD---ALDLIHGTPFTRRANIYAGDYADLKGSDVVIVAAGVPQKPGET--------------------RLQLLGRNARVMKEIARNVSKYAPDSIVIVVTNPVDVLTYFFLKESGMDPRKVFGSGTVLDTARLRTLIAQHCGFS-PRSVHVYVIGEH------------GDSEVPVWSGAMI-------------------------------G-GIPLQNMCQVCQKCDSKILENFAEKTKRAAYEIIE---------------R---K----GATHYAIALAVADIVESIFFDEKRVLTLSVYLEDYL-G-VKDLCISVPVTLGKHGVERILELNLNEEELEAFRKSASILKNAINEITAEE----------------------------------------------

General information: TITO was launched using: RESULT: Template: 1A5Z.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 : 1630 -219585 -134.71 -727.10 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -134.71 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.478

(partial model without unconserved sides chains): PDB file : Tito_1A5Z.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1A5Z-query.scw PDB file : Tito_Scwrl_1A5Z.pdb: