Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNALTQELVELLTLEKLEENIYRGISRNLVGKRVFGGQVLGQALRAASYTT--DRPAHSLHAYFLYGGDINAPIIYEVDRLRDGKSFVSRQVRAIQHGRVIFSAMVSFANPEEGLNYQHPEPDYPAPEALKSESELKEGILNFVPENVRASFMRERHVEIRPIDPVNPFQPQPEAPFNAHYIRTHDRIPKQLEDISLHQAIVAFYSDFTLMTTALRPHGLSYISPSLQCASIDHAIYFHRPLRADEWMLYDMEATVSAASRGLNFGRMW-QNGQLVCSTVQEGLMRLREIETQ 4R4U Chain:A ((20-287)) ----------------IEEGIFRGQSEDL---QVFGGQVVGQAIYAAKQTVPAERTVHSFHSYFLRPGDSSKPIIYDVETLRDGNSFSARRVSAIQNGKPIFYMTASFQSQEEGFEHQNTMPDVPPPEGLMSETDIARQF----PEKVREKFIGPQPIEMRPVKFHNPLQGSVEEPNRYVWFRANGKMP---DDLRVHQYLLGYASDFNFLPTALQPHGIGFLEPGMQIATIDHSMWFHRPFRLDDWLLYAVESTSASGARGFVRGQIYNREGVLVASTVQEGVIRL------

General information: TITO was launched using: RESULT: Template: 4R4U.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 : 1358 -27604 -20.33 -106.99 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -20.33 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.422

(partial model without unconserved sides chains): PDB file : Tito_4R4U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4R4U-query.scw PDB file : Tito_Scwrl_4R4U.pdb: