Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------QVPEATQMYAPGYDLNKAPCRIVIYKPTNPIGGTGEEYFMGNVAPGGVARFDGYICKASKDCLRPTCFNMPFGFRYF-GRHM------------------------------------------------------- 4XB6 Chain:A ((1-144)) MHADTATRQHWMSVLAHSQPAELAARLNALNITADYEVIRAA-ETGLVQIQARMGGTGERFFAG----------DATLTRAAVRLTDGT-----LGYSWVQGRDKQHAERCALIDALMQQSRHFQNLSETLIAPLDADRMARIAARQAEVNASRVDFFTM

General information: TITO was launched using: RESULT: Template: 4XB6.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 : 51 254 4.97 3.90 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 4.97 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.029

(partial model without unconserved sides chains): PDB file : Tito_4XB6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4xb6-query.scw PDB file : Tito_Scwrl_4XB6.pdb: