Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNALTQELVELLTLEKLEENIYRGISRN-LVGK-RVFGGQVLGQALRAASYTT--DRPAHSLHAYFLYGGDINAPIIYEVDRLRDGKSFVSRQVRAIQHGRVIFSAMVSFANPEEGLNYQ-HPEPDYPAPEALKSESELKEGILNFVPENVRASFMRERHVEIRPIDPVNPFQPQPEAPFNAHYIRTHDRIPKQLEDISLHQAIVAFYSDFTLMTTALRPHGLSYISPSL-QCASIDHAIYFHRPLR-----ADEWMLYDMEATVSAASRGLNFGRMW-QNGQLVCSTVQEGLMRLREIETQ 3RQB Chain:A ((8-271)) ---VTHAFDDATALS-FDGRQFHGQVKAEYYNMVGPFGGITAATMLKAAMSHPERLGQPLALTVNFAAPAKVA-PFVIEAVPVRTNRSTQHFTLTMMQDGEVVTTATAVFGIRRESWSHTEAVMPDVPPPADVPRFVAP-AP----L------PW--MQWYHVRLIRGSAF--DEVQDATTYQWMRDDP-------PRPLDHAALAALCDTFVPRVYVK-L------KRPVPIGTVTFTVYFLADPETIFRQGTNELLGVARATGFSHGYFDQIGEVWSQDGDLLATTTQLVYMKAPV----

General information: TITO was launched using: RESULT: Template: 3RQB.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 : 1341 -27105 -20.21 -107.56 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -20.21 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.308

(partial model without unconserved sides chains): PDB file : Tito_3RQB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3RQB-query.scw PDB file : Tito_Scwrl_3RQB.pdb: