Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKRMLDVLMLVIGAFFFALAVNLFAIPNDLGEGGVTGITLILYYLFQWSPGVTNFILNAFLLLIGYKFLDGKTTVYTIIAVAANSLFLHLTHGWSIPSDELIINTIFAGVFAGVGIGMIIRVGGTTAGSAILARIANKYLDWNISYALLFFDLIVVFSSYFIIGAEKMMFTIVMLYIGTKVMDFIIEGLNTKKAITVISEN--KSEIAEQVNTLMDRGVTILSGKGNYT---G-------QSKEILYIVINKQELSMLKKIIRSCDK-----KAFVIVHDVRDVFGEGFVDISK 4AFF Chain:A ((3-102)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KIEAIIRPFKLDEVKIALVNAGIVGMTVSEVRGFGRQKRGSEYTVEFLQKLKLEIVVEDAQVDTVIDKIVAAARTGENGDGKIFVSPVDQTIRI-------

General information: TITO was launched using: RESULT: Template: 4AFF.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 : 242 2909 12.02 37.77 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.43 3D Compatibility (PKB) : 12.02 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.43 QMean score : 0.575

(partial model without unconserved sides chains): PDB file : Tito_4AFF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AFF-query.scw PDB file : Tito_Scwrl_4AFF.pdb: