Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKHLTTMSELSTEEIKDLLQTAQELKSGK----TDNQLTGKFAANLFFEPSTRTRFSFEVAEKKLGMNVLNLDG-TSTSVQKGETLYDTIRTLESIGVDVCVIRHSEDEYYEELVSQVNIPILNAGDGCGQHPTQSLLDLMTIYEEFNTFKGLTVSIHGDIKHSRVARSNAEVLTRLGARVLFSGPSEW-QDEEN---------TFGTYVSMDEAVESSDVVMLLRIQNERHQSAVSQEGYLNKYGLTVERAERMKRHAIIMHPAPVNRGVEIDDSLVESEKSRIFKQMKNGVFIRMAVIQRALQTNVKRGEAAYVISH 1ML4 Chain:A ((5-306)) GRDVISIRDFSKEDIETVLATAERLERELKEKGQLEYAKGKILATLFFEPSTRTRLSFESAMHRLGGAVIGFAEASTSSVKKGESLRDTIKTVEQY-CDVIVIRHPKEGAARLAAEVAEVPVINAGDGSNQHPTQTLLDLYTIKKEFGRIDGLKIGLLGDLKYGRTVHSLAEALTFYDVELYLISPELLRMPRHIVEELREKGMKVVETTTLEDVIGKLDVLYVTRIQKERFPDEQEYLKVKGSYQVNLKVLEKAKDELRIMHPLPRV--DEIHPEVDNTKHAIYFRQVFNGVPVRMALLALVLG--------------

General information: TITO was launched using: RESULT: Template: 1ML4.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 : 1630 -170300 -104.48 -593.38 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -104.48 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.514

(partial model without unconserved sides chains): PDB file : Tito_1ML4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1ML4-query.scw PDB file : Tito_Scwrl_1ML4.pdb: