Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVMSDNTKYIFLSPHLDDAIFSCGDYISKLTSEGEIVLVITIFSGYPLSQQLQPSAKQFHKLCNLGKY-PIEERKKEDRLACERLQCD-FRHLSYYECLYRKDRNGNFLYRHIYSELKNEDTLKNDIIKELLMHLDDKCVVYCPLS---LGDHVDHVFVNSIGRALEFM-RYKVIYYEDFPYVSDSSMVSYMGKTK-ELKMYQEELDEKHYIDRISSILCYKSQILIIWK-SVEKLLNNIKELYLRN-GAAYSIRFWIKK 4XM1 Chain:F ((28-253)) --FEDAKKVICIEPHPDDCAIGMGGTIKKLSDEGVEVIYICMTDGYMGTTDE-----------KLSGHELALIRRREEEESAKLLGVRKIYWLNYRDTELPY-----------------SREVRKDLVK--IIRKEKPDGVFAPDPWLPYESHPDHRRTGFLAIESVAFSQLPNFSNIDIDIGLKPHSVSFIALYYTHKPNYIVDIT-DLMELKLKAIRAHRSQFTDDIWETWEPFLRTVTMFYGEKIGVRYGEGFRVM-

General information: TITO was launched using: RESULT: Template: 4XM1.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain F - contact count / total energy / energy per contact / energy per residue : 1090 -37241 -34.17 -171.62 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain F : 0.67 3D Compatibility (PKB) : -34.17 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.354

(partial model without unconserved sides chains): PDB file : Tito_4XM1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XM1-query.scw PDB file : Tito_Scwrl_4XM1.pdb: