Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRSHSVVCIGELLIDFFCTDVDVDLMEGRQFLKSAGGAPANVSAAIAKLGGDAAFSGKVGKDPFGYFLKRTLDAVHVDTSMLVMDEKAPTTLAFVSLKQNGERDFVFNR--GADALFTLEDIDQEKLNEAKILHFGSATALLSDPFCSAYLRLMSIAKDNGQFISFDPNYREDLWRGRVSEFVSVAKKAIAVSDFVKVSDEELEIISGV--KDHEKGVAILHEIGANIVAVTLGKSGTLLSNGKDREIIPSIPVTSIDSTGAGDAFVGAALYQLANTDQIQSVDADFVKLREIVA----FANKVGALVCTKIGAIDALPSLDEIGVSL 3LJS Chain:A ((6-322)) ----TILCFGEALIDMLAQPL-VKKGMPRAFLQCAGGAPANVAVAVARLGGAVQFVGMLGSDMFGDFLFDSFAEAGVVTDGIVRTSTAKTALAFVALDAHGERSFSFYRPPAADLLFRVEHFQDASFSDALIFHACSNSMTDAD-IAEVTFEGMRRAQAAGAIVSFDLNFRPMLWPNGENP-ASRLWKGLSLADVVKLSSEELDYLANTLAADANAVIQQLWQGRAQLLLVTDAAGPVHWYTRTAGGEVPT-----------GDAFVGGMLYTFAQQFDDAAALIDFCHDPESIVSTLRFAAAVGALAV----AFTAMPMLSEV----

General information: TITO was launched using: RESULT: Template: 3LJS.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 : 1630 -188561 -115.68 -641.36 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -115.68 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.447

(partial model without unconserved sides chains): PDB file : Tito_3LJS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3LJS-query.scw PDB file : Tito_Scwrl_3LJS.pdb: