Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVMSDNTKYIFLSPHLDDAIFSCGDYISKLTSEGEIVLVITIFSGYPLSQQLQPSAKQFHKLCNLGKYPIEE----RKKEDRLACERLQCDFRHLSYYECLYRKDRNGNFLYRHI----------YSELKNEDTLKN--DIIKELLMHLDDKCVVYCPLSLGDHVDHVFVNSIGR-ALEFMRYKVIYYEDFPY-VSDSSMVSY-----MGKTKELKMYQEELDEKHYIDRISSILCYKSQILIIWKSVEKLLNNIKELYLRNG--AAYSIRFWIKK 3DFF Chain:A ((8-265)) ------TRLLAISPHLDDAVLSFGAGLAQAAQDGANVLVYTVFAGA-AQPPYSPAAQRMHTIWGLA--PDDDAVLYRRKEDIAALDHLRVAHRHGRFLDSIYRKLPDGRWLTAHVEGRQKLAVNDHSPDSDHDLVGEVADDIRSIIDEFDPTLVVTC-AAIGEHPDHEATRDAALFATHEKNVPVRLWEDLPYAVFKSGAVELPQGFRLGSADVSSVKPEMRSQK-----FQAVERYSSQMVLLNGSENNLFDRLDEHARQNAPHGGYGETTW---

General information: TITO was launched using: RESULT: Template: 3DFF.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 : 1180 -32879 -27.86 -141.11 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -27.86 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.465

(partial model without unconserved sides chains): PDB file : Tito_3DFF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3DFF-query.scw PDB file : Tito_Scwrl_3DFF.pdb: