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

General information: TITO was launched using: RESULT: Template: 3LKI.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 -190114 -116.63 -648.85 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -116.63 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.460

(partial model without unconserved sides chains): PDB file : Tito_3LKI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3LKI-query.scw PDB file : Tito_Scwrl_3LKI.pdb: