Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --MNRLHAFIDLDRGAVADLTADYSLGELRSVEPLVTGIINTNYV--LRTDAGDFLLRLYPPER-----SADALRFEFSTLARLAEA-NFPCPRVIANREGKTVAWSEAHARHYAVLEFIPGTTLPREAIDA--------GVVDQIGSLFADMQRTLSGFVPEGDKPRADLEFVRELGQATLDRIAALPGEGPATAERLRQVWARSHARFDQPKGSVPALERGVVHADLYFDNVIVEGDQIRGVIDFDDSYFGLFLIDLAVTLMEFTFVEADALDFELG--------ERLLRRYYARRPEAKGEAHLLHDGMICACYKYLGYTADLPEYAGEALLGNEYIARIDYLARPEIRAKVEAMIAAAVEVPA 3ATS Chain:A ((1-357)) TLPAVISRWLSSVLPGGAAPEVTVESGVDSTGMSSETIILTARWQQDGRSIQQKLVARVAPAAEDVPVFPTYRLDHQFEVIRLVGELTDVPVPRVRWIETTGDVLGTP-----FFLMDYVEGVVPPDVMPYTFGDNWFADAPAERQRQLQDATVAALATLHSIPNAQNTFSFLTDTTLHRHFNWVRSWYDFAVEGIGRSPLLERTFEWLQSHWPDDAAAREPVLLWGDARVGNVLYRDFQPVAVLDWEMVALGPRELDVAWMIFAHRVFQELAGLATLPGLPEVMREDDVRATYQALTGVE------LGDLHWFYVYSGVMWACVFMRTGARRVHFGEIEKP----DDVESLFYHAGLMKHLLGEEH

General information: TITO was launched using: RESULT: Template: 3ATS.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 : 1579 -40880 -25.89 -125.40 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -25.89 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.333

(partial model without unconserved sides chains): PDB file : Tito_3ATS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ats-query.scw PDB file : Tito_Scwrl_3ATS.pdb: