Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNALTQELVELLTLEKLEENIYRGISRNLVGKRVFGGQVLGQALRAASYTT--DRPAHSLHAYFLYGGDINAPIIYEVDRLRDGKSFVSRQVRAIQHGRVIFSAMVSFANPEEGLNYQHPEPDYPAPEALKSESELKEGILNFVPENVRASFMRERHVEIRPIDPVNPFQPQPEAPFNAHYIRTHDRIPKQLEDISLHQAIVAFYSDFTLMTTALRPHGLSYISPSLQCASIDHAIYFHRPLRADEWMLYDMEATVSAASRGLNFGRMW-QNGQLVCSTVQEGLMRLREIETQ 4R4U Chain:C ((20-287)) ----------------IEEGIFRGQSEDLGLRQVFGGQVVGQAIYAAKQTVPAERTVHSFHSYFLRPGDSSKPIIYDVETLRDGNSFSARRVSAIQNGKPIFYMTASFQSQEEGFEHQNTMPDVPPPEGLMSETDIARQFS------------GPQPIEMRPVKFHNPLQGSVEEPNRYVWFRANGKMP---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 C - contact count / total energy / energy per contact / energy per residue : 1309 -30927 -23.63 -122.24 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain C : 0.82 3D Compatibility (PKB) : -23.63 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.428

(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: