Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEAVSPIRRFTVDGVNVYYEHYQNPG---RQTLVCVHGFLSSAFSFRKVIPLLRDKYDIIALDLPPFGQSEKSRTFIYTYQNLAKLVIGILEHLQVKQAVLVGHSMGGQISLSAALQKPELFSKVVLLCSSGYLKRSHPT-IIFGTH--I--PYFHLYIKRWL-S---KEG---VMKNLLNVVHDK--SLIDEEMIDGYGRPFQDEQIFKA---MT----------RFIRHREGDLEPEQLKKMNKPALLIWGEEDRIVPMEIGKRLHADLPNSVLYSLGQTGHLVPEERPELISEHIADFIK 3AFI Chain:E ((10-305)) -------RRAPVLGSSM---AYRETGAQDAPVVLFLHGNPTSSHIWRNILPLVSPVAHCIAPDLIGFGQSGKPD-IAYRFFDHVRYLDAFIEQRGVTSAYLVAQDWGTALAFHLAARRPDFVRGLAFMEFIRPMPTWQDFHHTEVAEEQDHAEAARAVFRKFRTPGEGEAMILEANAFVERVLPGGIVRKLGDEEMAPYRTPFPTPESRRPVLAFPRELPIAGEPADVYEALQS-A-HAALAASSYPKLLFTGEPGALVSPEFAERFAASLTRCALIRLGAGLHYLQEDHADAIGRSVAGWIA

General information: TITO was launched using: RESULT: Template: 3AFI.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 1301 -42362 -32.56 -162.93 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain E : 0.72 3D Compatibility (PKB) : -32.56 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.519

(partial model without unconserved sides chains): PDB file : Tito_3AFI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AFI-query.scw PDB file : Tito_Scwrl_3AFI.pdb: