Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPAVPHSSLNPVLIQLEQVSVHRDQ---RDILKKVDFALHENEIVTLIGPNGAGKSTLIKVLLGILKPSSGRVISN-----------KKLKMAYVPQKFNPSHSLPLRVQDLLDLEKCS---PALRQEIIQDT-----------GIAKLQQSKVQQLSGGERQRVLLARALLRKPDILVLDEPMQGLDIQSEAELYEYVRSLPERYGCAILIVSHDLQWVMQGTQRVVCLN-KHICCSGLPESIQQHPEYQAIFGTHRVFYQHHHDHCAHGDAAHPCPHNNRPHIHPEPEA 5U1D Chain:A ((500-731)) ----------EGLVQFQDVSFAYPNRPDVLVLQGLTFTLRPGEVTALVGPNGSGKSTVAALLQNLYQPTGGQLLLDGKPLPQYEHRYLHRQVAAVGQEPQV---FGRSLQENIAYGLTQKPTMEEITAAAVKSGAHSFISGLPQGYDTEVDEAGSQLSGGQRQAVALARALIRKPCVLILDDATSALDANSQLQVEQLLYESPERYSRSVLLITQHLSLVE-QADHILFLEGGAIREGGTHQQLME---------------------------------------------

General information: TITO was launched using: RESULT: Template: 5U1D.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 : 965 4257 4.41 20.97 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : 4.41 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.442

(partial model without unconserved sides chains): PDB file : Tito_5U1D.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5U1D-query.scw PDB file : Tito_Scwrl_5U1D.pdb: