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Per-target results from evaluating side-chain packing for DiffPack

Dataset: CASP15
Backbone type: AlphaFold2-Generated
Tool used for packing side-chains: DiffPack

RMSD (Å) ↓ χ-MAE (°) ↓ RR (%) ↑ Steric Clashes (#) ↓
Target ID All Core Surface χ1 χ2 χ3 χ4 χ1-4 100% 90% 80%
T1104 1.03 0.46 1.53 30.79 40.61 59.40 63.35 49.5 33.0 7.0 2.0
T1106s1 1.10 0.00 1.06 46.15 26.59 71.62 70.29 51.6 10.0 3.0 1.0
T1106s2 0.98 0.79 1.15 27.30 32.01 45.60 44.46 57.4 24.0 5.0 0.0
T1109 0.74 0.39 1.10 20.51 29.33 63.11 39.50 67.3 50.0 11.0 1.0
T1110 0.63 0.36 0.95 18.26 20.83 53.14 50.26 72.7 48.0 5.0 1.0
T1112 0.90 0.73 1.15 25.28 27.50 36.20 60.84 57.4 83.0 5.0 0.0
T1113 0.85 0.44 0.97 30.05 25.03 30.48 10.58 64.0 54.0 24.0 9.0
T1114s1 0.88 0.00 0.89 27.71 35.36 45.86 48.27 54.0 10.0 1.0 0.0
T1114s2 0.71 0.52 0.97 19.38 24.53 38.68 59.87 69.3 101.0 38.0 20.0
T1114s3 0.59 0.47 0.91 15.95 17.58 40.31 69.72 71.8 144.0 31.0 6.0
T1119 1.47 2.21 1.41 41.83 29.45 57.52 59.19 35.0 5.0 0.0 0.0
T1120 1.02 0.43 1.29 30.78 23.97 51.72 61.06 52.1 33.0 1.0 0.0
T1121 1.20 0.82 1.46 39.28 36.13 61.66 73.65 41.3 104.0 36.0 19.0
T1122 1.50 1.04 1.62 48.16 44.16 55.57 54.15 37.6 55.0 6.0 3.0
T1123 0.99 0.94 1.12 35.40 33.10 65.67 41.52 48.1 82.0 16.0 4.0
T1124 0.94 0.50 1.27 27.17 27.15 57.27 70.11 58.9 91.0 24.0 8.0
T1125 1.51 1.31 1.74 51.34 36.72 52.03 57.26 29.3 145.0 25.0 3.0
T1127 0.83 0.40 1.07 24.33 24.75 42.43 63.12 63.0 56.0 10.0 1.0
T1129s2 0.88 0.73 1.19 31.09 29.61 51.80 60.55 52.3 185.0 20.0 4.0
T1130 0.91 0.67 1.20 28.26 33.42 59.19 49.54 54.3 43.0 13.0 5.0
T1131 1.68 1.49 1.84 45.77 48.70 57.65 55.24 32.9 62.0 18.0 9.0
T1132 0.72 0.28 0.85 18.42 17.84 36.17 44.95 69.5 28.0 5.0 1.0
T1133 0.64 0.53 0.81 21.84 19.46 45.18 51.54 67.3 107.0 11.0 4.0
T1134s1 0.60 0.39 0.79 15.34 17.08 41.90 36.36 71.2 54.0 12.0 8.0
T1134s2 0.87 0.62 1.06 27.83 26.90 52.89 43.46 58.8 55.0 11.0 3.0
T1137s1 1.21 0.72 1.26 40.19 37.58 54.51 70.69 42.4 52.0 13.0 6.0
T1137s2 1.10 0.30 1.16 35.57 36.51 54.36 61.41 49.0 35.0 8.0 4.0
T1137s3 1.07 0.36 1.13 33.92 32.95 56.34 69.32 48.5 52.0 23.0 14.0
T1137s4 1.12 0.42 1.24 36.77 33.91 52.99 56.00 46.8 39.0 4.0 0.0
T1137s5 1.05 0.79 1.09 37.71 31.49 53.71 63.98 44.2 40.0 9.0 3.0
T1137s6 1.00 0.69 1.05 35.22 30.61 61.02 67.71 44.6 40.0 10.0 3.0
T1137s7 1.06 0.71 1.42 34.37 35.70 55.80 63.16 43.1 56.0 7.0 3.0
T1137s8 0.89 0.61 1.24 33.01 26.81 54.42 47.74 55.4 37.0 9.0 3.0
T1137s9 0.91 0.63 1.16 28.21 35.67 59.64 65.42 52.5 63.0 11.0 6.0
T1139 0.89 0.58 1.12 28.19 27.60 41.14 40.02 48.2 53.0 7.0 2.0
T1145 0.72 0.53 1.00 24.45 24.69 41.92 54.53 60.4 174.0 34.0 10.0
T1146 0.87 0.62 1.00 25.17 21.72 54.72 56.42 61.3 79.0 16.0 4.0
T1147 0.93 0.43 1.01 33.69 23.05 66.93 26.47 60.5 37.0 3.0 0.0
T1150 0.87 0.59 1.21 23.89 27.40 45.02 72.85 57.4 96.0 12.0 2.0
T1151s2 0.91 0.34 1.14 32.31 23.43 61.81 55.14 53.0 7.0 1.0 0.0
T1152 0.83 0.82 0.85 19.29 43.26 31.85 65.86 50.0 6.0 0.0 0.0
T1153 0.67 0.43 1.14 20.29 21.71 36.22 54.08 67.8 54.0 8.0 0.0
T1154 0.80 0.63 0.96 34.38 23.98 56.04 32.98 58.7 252.0 42.0 12.0
T1155 1.72 1.62 1.99 59.18 52.71 72.68 52.45 16.9 25.0 5.0 1.0
T1157s1 1.21 0.85 1.54 42.91 31.34 54.61 66.24 42.9 311.0 81.0 40.0
T1157s2 1.52 0.89 1.86 50.61 51.00 53.74 53.72 33.6 88.0 11.0 3.0
T1158 1.22 0.85 1.56 39.55 41.88 61.80 73.20 33.1 230.0 47.0 13.0
T1159 0.67 0.41 0.96 17.32 18.21 54.97 69.84 71.7 23.0 0.0 0.0
T1160 1.42 1.73 1.14 29.61 31.47 50.30 58.74 38.1 1.0 0.0 0.0
T1161 1.19 0.00 1.19 24.80 42.43 50.73 60.22 51.4 3.0 0.0 0.0
T1162 0.67 0.46 0.90 20.61 17.64 44.17 43.31 67.9 28.0 8.0 0.0
T1163 0.74 0.51 1.10 25.68 22.97 36.35 39.22 63.6 25.0 7.0 0.0
T1170 0.93 0.42 1.27 27.93 27.17 51.52 59.39 57.1 53.0 15.0 5.0
T1173 1.02 0.90 0.94 35.96 33.30 69.23 72.52 50.6 45.0 7.0 3.0
T1174 1.03 0.91 1.02 36.98 31.89 53.21 63.79 55.4 84.0 21.0 7.0
T1175 1.16 0.43 1.67 40.92 28.57 51.04 64.50 50.0 80.0 23.0 8.0
T1176 1.18 0.31 1.27 38.04 34.29 45.79 38.26 48.1 71.0 18.0 7.0
T1177 0.88 0.47 1.23 27.89 21.76 36.34 41.10 60.6 47.0 5.0 0.0
T1178 1.01 0.77 1.26 36.88 33.24 66.23 60.33 43.5 102.0 18.0 7.0
T1179 0.90 0.53 1.29 26.99 28.76 45.54 41.89 57.1 81.0 12.0 3.0
T1180 0.90 0.57 1.43 26.98 23.67 41.92 61.69 55.0 98.0 25.0 14.0
T1181 0.88 0.63 1.13 28.67 27.49 58.10 64.13 56.7 189.0 29.0 9.0
T1182 0.82 0.63 1.19 24.28 25.33 52.86 61.75 54.2 165.0 34.0 6.0
T1183 0.76 0.56 0.93 21.00 31.27 36.75 48.49 59.4 52.0 11.0 4.0
T1184 0.87 0.36 1.15 28.56 27.82 52.60 90.39 59.3 20.0 0.0 0.0
T1185s1 1.31 0.49 1.58 39.41 42.19 78.24 67.94 40.3 5.0 0.0 0.0
T1185s2 1.25 0.64 1.64 39.07 37.09 48.28 60.78 39.6 51.0 5.0 2.0
T1185s4 0.97 0.66 1.26 30.85 35.46 48.19 63.91 44.7 53.0 9.0 0.0
T1187 1.02 0.52 1.31 31.64 27.81 62.98 58.39 52.9 39.0 5.0 2.0
T1188 0.59 0.44 0.82 17.14 19.16 34.66 51.17 67.4 115.0 13.0 2.0
T1194 1.04 0.63 1.38 31.81 25.65 60.68 53.66 48.4 30.0 7.0 0.0