Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNQSQSGLKKELKTRHMTMISIAGVIGAGLFVGSGSVIHSTGPGAVVSYALAGLLVIFIMRMLGEMSAVNPTSGSFSQYAHDAIGPWAGFTIGWLYWFFWVIVIAIEAIAGAGIIQYWFHDIPLWLTSLILTIVLTLTNVYSVKSFGEFEYWFSLIKVVTIIAFLIVG-----FAFIFGFAPGSEPVGFSNLTGKGGFFPE--GISSVLLGIVVVIFSFMGTEIVAIAAGETSNPIESVTKATRSVVWR--IIVFYVGSIAIVVALLPWNSANILE---------------SPFVAVLEHIGVPAAAQIMNFIVLTAVLSCLNSGLYTTSRMLYSLAERNEA-----PRRFMKLSKKGVPVQAIVAGTFFSYIAVVMNYFSPDTVFLFLVNSSG--AIALLVYLVIAV-----SQLKMRKKLEKTNPEALKIKMW-----LFPFLTYLTIIAICGILVSMAFIDSMRDELLLTGVITGIVLISYLVFRKRKVSEKAAANPVTQQQPDILP 3DH4 Chain:A ((52-518)) AGKSLPW-------WAVGASLIAANISAEQFIGMSGSGYSIG-LAIASYEWMSAITLIIVGKYFLPIFIEKGIYTIPEFVEKRFNKKLKTILAVFWISLYIFVNLTSVLYLGGLALETILGIPLMYSILGLALFALVYSIVVWTDVIQVFFLVLGGFMTTYMAVSFIGGTDGWFAGVSKMVDAAPGHFEMILDQSNPQYMNLPGIAVLIGGLWVANLYYWGFNQYIIQRTLAAKSVSEAQKGIVFAAFLKLIVPFLVVLPGIAAYVITSDPQLMASLGDIAATNLPSAANADKAYPWLTQFLPVGVKGVVFAALAAAIVSSLASMLNSTATIFTMDIYKEYISPDSGDHKLVNVGRTAAVVALIIACLIAPMLGG------IGQAFQYIQEYTGLVSPGILAVFLLGLFWKKTTSKGAIIGVVASIPFALFLKFMPLSMPFMDQMLYTLLFTMVVIAFTSLSTSINDDDPKGISVTSSMFVTDRSFNIAAYGIMIVLAVLYTLFWVLYK-

General information: TITO was launched using: RESULT: Template: 3DH4.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 : 1789 -233544 -130.54 -556.06 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -130.54 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.063

(partial model without unconserved sides chains): PDB file : Tito_3DH4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3DH4-query.scw PDB file : Tito_Scwrl_3DH4.pdb: