Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------MHKEIAK---ELLLLAG-------GKNNIISISHCTTRLRFDVKDETKIDIHAIENLQGVQGTFF--------RYGLFQII------FGAGVVNKIYKEV------VHVWETAP--------SEEPVHQKKASRKLNPAAAFAKTLSDIFVPIIPAI-TASGLLMGLIGMIKVFHW-FAAGSPWIK-----MLDLVSSTAFILLPILVGFSAARQFGSNPYLGAVI------AGLLTHPDLLDPSMLGSKTPSSLDIWGLHIPMMGYQGSM----IPILLSVFVMS--KI--EKLLKSIVPK---------------------------------------SLDVVIIPFITVMVTGC----LALIVMNPAASIIGQIMTQSIVYIYDHAG------IAAGA-LFGGIYSTIVLSGLHHSF--------------YAIEATLLANPHVGVNFLVPIWSMAN---------VAQGGAGLAVFLKTKQS----------------------SLKKIALPASLTAFL--GIVEPIVFGVNLKLIRPFIG-AA-IGG-AI-GGAYVVAVQVVANSYGLTGIPMISIVLPFGAANFVHY--MIGFLIAAVSAFIATLFLGFKEETE------- 4U3E Chain:A ((12-670)) SGLVGSHMKVQYSFEREFEELMSDLLSKYGYEMFQMDGLGDQLDVVKFTEDFVRRGIIESTIDANANVRVTNISTYFIEISKPHTYLYSLYRIWQKMKEMFGKGVADEFVEAQINGAVYLHDRHHAALMPYCFAYTLKPIVEKGLPFIKTIKSEPAKHLSTFIQHVIQFVMFASNQSSGAVGLPDFFVWMWYFVKKDLKEGIIPRDKLDWYIEQHFQILTYSLNQPIRTTQSPYTNFTYLDRNYIKAIFEGERYPDGSLITDHVEDIIALQKHYWEWVSRERERQMFTFPVLTASLLYKDGKFLDEDSARFINKINMKWQDTNWYISDSIDAVASCEKLKGRMNSIGGSDLNIGSFKVITVNLPRIALESGGDREKYLQILRHRVQLIKKALAAVREIIKERISEGLLPLYENGLMLLNRQYGTIGVTGVWESASIMGLTTEDIDGLKYTEEGEVFVDNVLDTIREEAEKGYHEYGFTFNIEQVPAEKAAVTLAQKDRFLFGEKQPFEIYSNQWVPLMANTDVLNRIRYSGKWDKKVSGGAILHINLGESFKTEEESFNMVKMIADMGVMYFAFNTKISVCEDGHAFYGER----CPVCGKAKVDEYMRIVGYLVPVSAFNKERREIEYPRRQFYDSLTIR

General information: TITO was launched using: RESULT: Template: 4U3E.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 : 2075 -56715 -27.33 -124.65 target 2D structure prediction score : 0.38 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -27.33 2D Compatibility (Sec. Struct. Predict.) : 0.38 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.138

(partial model without unconserved sides chains): PDB file : Tito_4U3E.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4U3E-query.scw PDB file : Tito_Scwrl_4U3E.pdb: