Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPKTLQFGITNFEIDFKDLVMNTMIKNKRFENDVEFRGADIKDSRAVVILLHGRRQNADTIYELAEKIGFTDITYILPLAPEL-----------TWYP-RGFMRDLEDNQPYLSVALERIHYIITDLKNQNIKPENIFLMGFSQGACIVSQYLWENPQKLGGVIAFTGGLFGPELTYTSHEGLP--INGT----QLIFTGGKEDSWVPEQRVRDTAALFEKLGGNVTT-----KIYSGRDHLVSDEEVELAKTLLNI 5SYN Chain:A ((25-224)) ---------------------------------------------AAVIFLHGLGDTGHSWADALSTIRLPHVKYICPHAPRIPVTLNMKMVMPSWFDLMGLSPDAPEDEAGIKKAAENIKALIEHEMKNGIPANRIVLGGFSQGGALSLYTALTCPHPLAGIVALSCWL-------PLHRAFPQAANGSAKDLAILQCHGELDPMVP---VRFGALTAEKLRSVVTPARVQFKTYPGVMHSSCPQEMAAVKEFL--

General information: TITO was launched using: RESULT: Template: 5SYN.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 : 928 -44512 -47.97 -251.48 target 2D structure prediction score : 0.77 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -47.97 2D Compatibility (Sec. Struct. Predict.) : 0.77 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.584

(partial model without unconserved sides chains): PDB file : Tito_5SYN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5SYN-query.scw PDB file : Tito_Scwrl_5SYN.pdb: