Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVMSDNTKYIFLSPHLDDAIFSCGDYISKLTSEGEIVLVITIFSGYPLSQQLQPSAKQFHKLCNLGKY-PIEERKKEDRLACERLQCD-FRHLS----YYECLYRKDRNGNFLYRHIYSELKNEDTLKNDIIKELLMHLDDKCVVYCPLS--LGDHVDHVFVNSIGRALEFM-R--------YKVIYYEDFPYVSDSSMVS-----------YM---G----KT-KELKMYQEELDEKHYIDRISSILCYKSQILIIWKSVEKLLNNIKELYLRNGAAYSIRFWIKK 1Q74 Chain:A ((3-252)) ----ETPRLLFVHAHPDDESLSNGATIAHYTSRGAQVHVVTCTLGEEGEVIGD----RWAQLTADHADQLGGYRIGELTAALRALGVSAPIYLGGAGRWRDSGMA----R---SQRRFVDA-DPRQTVGALVA--IIRELRPHVVVTYDPNGGYGHPDHVHTHTVTTAAVAAAGVHPGDPWTVPKFYWTVLGLSALISGARALVPDDLRPEWVLPRADEIAFGYSDDGIDAVVEADEQARAAKVAALAAHATQVVVGP-----------------------------

General information: TITO was launched using: RESULT: Template: 1Q74.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 : 971 -56084 -57.76 -274.92 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -57.76 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.404

(partial model without unconserved sides chains): PDB file : Tito_1Q74.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1Q74-query.scw PDB file : Tito_Scwrl_1Q74.pdb: