Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRKLTICLLIALIFYNGNAKAAERGSLEELNDLSDTVFQMTRQAKYEEALQVLEYFEKTL-KSAEKKQQDPMLTGAQIRQITLGYNDMVRSLKQADTSDTQKLRAAAQFRMLMDAVDNRSDPLWGSLEKPIMEAFTELKRDVQKNGSTSFHEKWNEFISLYDLIYPSLTIDVSEDQLETVGKHIDVIEQEEFQQMTESTKLERLSLLQHDLKNVFDRVEEDDADPSLLWVIITTGS---IIITALTYVGYRKYKAEKNKLKKRDYPK 3JVB Chain:A ((10-243)) -----------------GKTYVYDNRYWKNLGGVIKNAKRRKHEEKVEREFDSLDKYLVAEDPFCGPGKNQKLTLFKEIRNIKPD------TMKLIVNWSGKEFLRETWTRFMEDSFPIVN-------DQEVMDVFLVINMRSTKPNRC------FRFLAQHALRYVPH----------------EIIRIVEPSYVGN--NEYRISLATNSFEHFINK--------PIVYIGTDSAEDEEVLFEVSLVFKIKEFAPDAPLFSGPAY--

General information: TITO was launched using: RESULT: Template: 3JVB.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 : 709 -4878 -6.88 -24.39 target 2D structure prediction score : 0.39 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -6.88 2D Compatibility (Sec. Struct. Predict.) : 0.39 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.206

(partial model without unconserved sides chains): PDB file : Tito_3JVB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3JVB-query.scw PDB file : Tito_Scwrl_3JVB.pdb: