Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVDYEREEEHTTPEQPKRSKKGYFLSSLIGVIVGAVLMAFIMPYLSNEGLDTGALDQQQNNNGRESIRTVNVSVNNAVTKIVSNMSPAVVGVVNIQKSDIWGESGEAGSGSGVIYKKNDHSAYVVTNHHVIEGASQIEISLKDGSRVSADLVGSDQLMDLAVLRVKSDKIKAVADFGNSDKVKSGEPVIAIGNPLGLEFAGSVTQGVISGTERAIPVDSNGDGQPDWNAEVLQTDAAINPGNSGGALLNMDGKVIGINSMKIAESAVEGIGLSIPSKLVIPVIEDLERYGKVKRPFLGIEMKSLSDIASYHWDETLKLPKNVTNGAVVMGVDAFSPAGKAGLKELDVITEFDGYKVNDIVDLRKRLYQKKVGDRVKVKFYRGGKEKSVDIKLSSADQLGS 3TJO Chain:B ((31-218)) ---------------------------------------------------------------------------NFIADVVEKIAPAVVHIELFRKLPFSKREVPVASGSGFIVSED---GLIVTNAHVVTNKHRVKVELKNGATYEAKIKDVDEKADIALIKIDHQGKLPVLLLGRSSELRPGEFVVAIGSPFSLQ--NTVTTGIVSTTQ-----------------DYIQTDAIINYGNAGGPLVNLDGEVIGINTLKVT----AGISFAIPS----------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3TJO.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 985 -77943 -79.13 -445.39 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.67 3D Compatibility (PKB) : -79.13 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.542

(partial model without unconserved sides chains): PDB file : Tito_3TJO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TJO-query.scw PDB file : Tito_Scwrl_3TJO.pdb: