* Parents/Targets: TARGET PARENT Nmatch RMSD SeqId% Ntarget %Matched "LOOPS" D ====== ====== ====== ==== ====== ======= ======== =========== ===== T0047 1MUP 151 0.88 64.9 158 95.6 0/ 0/ 0 0.593 T0058 1AKZ 215 1.00 57.2 225 95.6 1/ 4/ 4 0.522 T0060 1GIF 114 1.13 33.3 117 97.4 1/ 11/ 11 0.316 T0064 1PRA 60 1.37 33.3 68 88.2 1/ 8/ 8 0.260 1ADR 62 1.15 29.0 68 91.2 0.241 T0176 1CFD 53 1.69 35.8 71 74.6 -/ -/ - 0.200 1A2X 52 1.65 32.7 71 73.2 0.175 T0048 1DCO 95 1.45 28.4 116 81.9 2/ 15/ 9 0.191 T0074 1SMG 63 2.04 28.6 77 81.8 2/ 14/ 7 0.191 T0082 1BOL 140 1.55 31.4 190 73.7 10/127/ 24 0.171 T0055 1ESL 95 1.72 28.4 123 77.2 3/ 23/ 8 0.170 1LIT 100 1.64 22.0 123 81.3 0.145 1RTM 97 1.41 21.6 123 78.9 0.135 1HTN 106 1.48 17.9 123 86.2 0.133 T0049 3PTE 253 1.87 26.5 378 66.9 0.119 2BLT 252 1.69 23.0 378 66.7 9/ 90/ 17 0.102 T0062 1FNC 173 1.58 19.7 232 74.6 8/ 69/ 22 0.109 T0057 1GD1 221 1.96 22.2 340 65.0 9/ 71/ 16 0.094 T0276 1CFD 35 2.26 31.4 69 50.7 -/ -/ - 0.081 T0073 1EGD? 45 1.26 8.9 48 93.8 0.078 1COS? 28 0.75 10.7 48 58.3 -/ -/ - 0.036 T0070 2OMF 229 1.90 14.8 332 69.0 9/ 70/ 17 0.071 T0068 1RMG 204 1.66 13.7 376 54.3 13/ 95/ 11 0.040 SeqId% = nr of identical matched residues / total nr of matched residues !!! D = "difficulty score" = %SegID_P_T * %Matched_P_T / 10000 (D = 1 -> identical proteins; D = 0 -> no homology in structure or sequence) "LOOPS" = our manually derived definition; a/b/c = a insertions, b total nr of residues, c longest insert * parents found using DALI and DEJAVU; LSQMAN to find and improve structural fit; 3.8 A cut-off, min fragment length 4 residues, algorithm to check for structural -1/+1 shifts * targets and parents sorted by D * updated loop counts; check -> 68 loops = YEAH !!! * T0062 coordinates not available to modellers and Livermore people etc. * changes made to the original targets: * T0076 - was split into two targets, T0176 (residue 1-71) and T0276 (72-140) * T0064 - cut back to residues 1-68 (original 1-108) * T0074 - cut back to residues 121-197 (original 121-215) * T0049 - considered as a single domain, so not split up * Target info: Target Resolution R-factor(free) Symmetry N. of ppchains Ligands Confidentiality ----------------------------------------------------------------------------------------------- T0047 2.5 ??? P212121 1 (4 in real) No B T0048 1.75 20.4(27.0) P212121 4 No B T0049 2.0 18.4(24.7) C 2 2 21 2 No B T0055 2.0 20.7(25.0) P212121 2 Yes B T0057 2.0 22.0(28.0) P 41 21 2 2 Sul B T0058 1.6 19.0 P212121 1 No B T0060 1.54 16.4(19.2) P 3 3 No Uncertain T0062 ? ? ? 4 No Very ! T0064 1.9 20.0(24.5) P3(1)21 2 Zn B T0068 1.9 19.8(23.9) C2 1 No B T0070 2.05 22.0(27.0) R3 1 No B T0073 1.48 19.9(24.1) P213 2 No B T0074 NMR - - 1 No ? T0076 NMR - - 1/26 No B T0082 1.75 19.2(24.1) P 21 21 21 1 No B