Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----MVNKQLKKKAQEIGNVPTHYELEIEDYDQKQKKYGQ------------AYFI-WKDPKD-PEKHITVELRNDGALLTFSTTVHSETDKKL-------------------PDAEL--------KLTALQFAAANHPGTFMNFHFQGKEERGQHI-----------------------------RFVYTKMELGLPIPNSGFLID------MTRSGQIVHFLY-------YGEGHKAEVPTEFVAKEKVVSH-------------------------------YLNTMSFEL------------------------MYDVIDGEQEPRLVYEPILPGYSY-----PAD-VDEIVPDQHIADERIEN---------TAPLPPLQNKEEVDIFALLGFTSDMQKVSERDFGEQIGSTWRRGAAPERKDLSIGSYFETRNKN-TIKMK------TDKRTGKLKAALSFMDWRNNLQCSTEECQEIALQFLYALYPR--------AAEFFRVNPVRIDERGRVR----------NHFS-------------VWYKGVPLRFGAARIIVNPETGLIDA------------FMAPDIEPEQLEAINHR--PDVSAEEAKE------AFLAAFDVKLEWQPDFTAGSDQHCKLVYK-PVY-PSYIDAHIRKKKRL-------------- 4TXG Chain:A ((107-793)) PPLVQVPPPTGNALCRPEALAQTQGVDVP-YCAVYKQGGAEQLANGSRRRIIGYFTSWRTGKDGSPAYLASDIPWSKLTHINYAFAHVDGSNKLSVNETAPGNPATDMSWPGVAGAEMDASLPYKGHFNLLTQYKRKYPGVKTLISVGGWAETGGYFDANGKRVASGGFYSMTVNADGTVNQAGINAFSDSAVAFLRKYGFDGVDIDFEYPTSMNNAGNPLDWTFSNARLGSLNKGYVALLQTLRDRLDRAAAQDGRYYQITAAVPASGYLLRGMETFQGLKYLDFVNVMSYDLHGAWNRFVGPNAALYDDGKDAELAFWNVYSTPQYGNIGYLNTDWAYHYYRGGLPASRVNMGVPYYTRGWKNVSGGSNGLWGSSVGSNCPAGLTECGD--GAVGIDNIWHDLDDSGKEIPGGSNPMWHAKNLEKGLA-GSYLAAYGIDPTLPINQLTGSYQRNYNGALAAPWLWNAGKK-VFLSTEDEQSIAQKAAWIDANNVGGVMFWELAGDYDWKAQRNNGQGEYFIGTTLTSLLYNTFSQPPKVSAPTAAIDVGFSLGGFKLGDQNYPINPKLTIVNRSQTTLPGGTEFQFDVPTSAPANIADQSGFGLKVVSAGHSGSNVGGLKGDFNRVSVKLPSWQSLGAGQSVTLDVVYYLPISGPSHYTVGLNGKTYAIRDEAPYLPYLRVL

General information: TITO was launched using: RESULT: Template: 4TXG.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 : 1885 -40478 -21.47 -90.35 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -21.47 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.082

(partial model without unconserved sides chains): PDB file : Tito_4TXG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4TXG-query.scw PDB file : Tito_Scwrl_4TXG.pdb: