Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTTIYDVAKAAGVSITTVSRVINNTGRISDKTRQKVMNVMNEMAYTPNVHAAALTGKRTNMIALVAPDISNPFYGELAKSIEERADELGFQMLICSTDYDPKKETKYFSVLKQKKVDGIIFATGIESHDSMSALEEIASEQIPIAMISQDKPLLPMDIVVIDD-VRGGYEAAKHLLSLGHTNIACIIGDGSTTGEKNRIKGFRQAMEEAGVPIDESLIIQTRFSLESGKEEAGKLLDR-NAPTAIFAFNDVLACAAIQAARIRGIKVPDDLSIIGFDNTILAEMAAPPLTTVAQPIKEMGAERHRTAGRSNRGKRKAKQKIVLPPELVVRHSTSPLNT 2PUG Chain:A ((2-331)) ---TIKDVAKRANVSTTTVSHVINKTRFVAEETRNAVWAAIKELHYSPSAVARSLKVNHTKSIGLLATSSEAAYFAEIIEAVEKNCFQKGYTLILGNAWNNLEKQRAYLSMMAQKRVDGLLVMCSEYPEPLLAMLEEY--RHIPMVVMDWGEAKADFTDAVIDNAFEGGYMAGRYLIERGHREIGVIPGPLEQNTGAGRLAGFMKAMEEAMIKVPESWIVQGDFEPESGYRAMQQILSQPHRPTAVFCGGDIMAMGALCAADEMGLRVPQDVSLIGYDNVRNARYFTPALTTIHQPKDSLGETAFNMLLDRIVNKREEPQSIEVHPRLIERRSVA----

General information: TITO was launched using: RESULT: Template: 2PUG.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 : 1776 -200690 -113.00 -611.86 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -113.00 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.578

(partial model without unconserved sides chains): PDB file : Tito_2PUG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PUG-query.scw PDB file : Tito_Scwrl_2PUG.pdb: