Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4bpq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): UNK 5.A N UNK 1.A O no hydrogen 2.964 N/A UNK 6.A N UNK 2.A O no hydrogen 2.964 N/A UNK 7.A N UNK 3.A O no hydrogen 2.963 N/A UNK 8.A N UNK 4.A O no hydrogen 2.964 N/A UNK 9.A N UNK 5.A O no hydrogen 3.063 N/A UNK 11.A N UNK 7.A O no hydrogen 2.451 N/A UNK 12.A N UNK 8.A O no hydrogen 3.256 N/A UNK 13.A N UNK 9.A O no hydrogen 2.995 N/A UNK 14.A N UNK 10.A O no hydrogen 2.965 N/A UNK 15.A N UNK 11.A O no hydrogen 2.965 N/A UNK 16.A N UNK 12.A O no hydrogen 2.964 N/A UNK 17.A N UNK 13.A O no hydrogen 2.964 N/A UNK 18.A N UNK 14.A O no hydrogen 2.964 N/A UNK 19.A N UNK 15.A O no hydrogen 2.964 N/A UNK 20.A N UNK 16.A O no hydrogen 2.964 N/A UNK 21.A N UNK 17.A O no hydrogen 2.964 N/A UNK 26.A N UNK 22.A O no hydrogen 2.963 N/A UNK 27.A N UNK 23.A O no hydrogen 2.963 N/A UNK 28.A N UNK 24.A O no hydrogen 2.965 N/A UNK 29.A N UNK 25.A O no hydrogen 2.963 N/A UNK 30.A N UNK 26.A O no hydrogen 2.965 N/A UNK 31.A N UNK 27.A O no hydrogen 2.963 N/A UNK 32.A N UNK 28.A O no hydrogen 2.964 N/A UNK 33.A N UNK 29.A O no hydrogen 2.964 N/A UNK 34.A N UNK 30.A O no hydrogen 2.963 N/A UNK 35.A N UNK 31.A O no hydrogen 2.964 N/A UNK 36.A N UNK 32.A O no hydrogen 2.964 N/A UNK 37.A N UNK 33.A O no hydrogen 2.965 N/A UNK 38.A N UNK 34.A O no hydrogen 3.093 N/A UNK 40.A N UNK 36.A O no hydrogen 2.457 N/A UNK 41.A N UNK 37.A O no hydrogen 3.295 N/A UNK 42.A N UNK 38.A O no hydrogen 3.016 N/A UNK 43.A N UNK 39.A O no hydrogen 2.965 N/A UNK 44.A N UNK 40.A O no hydrogen 2.964 N/A UNK 45.A N UNK 41.A O no hydrogen 2.963 N/A UNK 46.A N UNK 42.A O no hydrogen 2.964 N/A UNK 47.A N UNK 43.A O no hydrogen 2.964 N/A UNK 48.A N UNK 44.A O no hydrogen 2.964 N/A UNK 49.A N UNK 45.A O no hydrogen 2.965 N/A UNK 50.A N UNK 46.A O no hydrogen 2.964 N/A UNK 51.A N UNK 47.A O no hydrogen 2.963 N/A UNK 56.A N UNK 52.A O no hydrogen 2.964 N/A UNK 57.A N UNK 53.A O no hydrogen 2.964 N/A UNK 58.A N UNK 54.A O no hydrogen 2.964 N/A UNK 59.A N UNK 55.A O no hydrogen 2.963 N/A UNK 60.A N UNK 56.A O no hydrogen 2.964 N/A UNK 61.A N UNK 57.A O no hydrogen 2.965 N/A UNK 62.A N UNK 58.A O no hydrogen 2.964 N/A UNK 63.A N UNK 59.A O no hydrogen 2.963 N/A UNK 64.A N UNK 60.A O no hydrogen 2.964 N/A UNK 65.A N UNK 61.A O no hydrogen 2.964 N/A UNK 66.A N UNK 62.A O no hydrogen 2.964 N/A UNK 67.A N UNK 63.A O no hydrogen 2.964 N/A UNK 68.A N UNK 64.A O no hydrogen 2.964 N/A UNK 69.A N UNK 65.A O no hydrogen 2.964 N/A UNK 70.A N UNK 66.A O no hydrogen 2.964 N/A UNK 71.A N UNK 67.A O no hydrogen 2.964 N/A UNK 76.A N UNK 72.A O no hydrogen 2.963 N/A UNK 77.A N UNK 73.A O no hydrogen 2.965 N/A UNK 78.A N UNK 74.A O no hydrogen 3.044 N/A UNK 79.A N UNK 75.A O no hydrogen 2.400 N/A UNK 80.A N UNK 76.A O no hydrogen 2.452 N/A UNK 81.A N UNK 77.A O no hydrogen 3.230 N/A UNK 82.A N UNK 78.A O no hydrogen 2.984 N/A UNK 83.A N UNK 79.A O no hydrogen 2.963 N/A UNK 84.A N UNK 80.A O no hydrogen 2.964 N/A UNK 85.A N UNK 81.A O no hydrogen 2.964 N/A UNK 86.A N UNK 82.A O no hydrogen 2.964 N/A UNK 91.A N UNK 87.A O no hydrogen 2.964 N/A UNK 92.A N UNK 88.A O no hydrogen 2.966 N/A UNK 93.A N UNK 89.A O no hydrogen 2.963 N/A UNK 94.A N UNK 90.A O no hydrogen 2.964 N/A UNK 95.A N UNK 91.A O no hydrogen 2.964 N/A UNK 96.A N UNK 92.A O no hydrogen 2.965 N/A UNK 97.A N UNK 93.A O no hydrogen 2.964 N/A UNK 101.A N UNK 97.A O no hydrogen 3.435 N/A UNK 102.A N UNK 98.A O no hydrogen 3.102 N/A UNK 103.A N UNK 99.A O no hydrogen 2.964 N/A UNK 104.A N UNK 100.A O no hydrogen 2.964 N/A UNK 105.A N UNK 101.A O no hydrogen 2.963 N/A UNK 106.A N UNK 102.A O no hydrogen 2.964 N/A UNK 107.A N UNK 103.A O no hydrogen 2.964 N/A UNK 108.A N UNK 104.A O no hydrogen 2.964 N/A UNK 109.A N UNK 105.A O no hydrogen 2.964 N/A UNK 110.A N UNK 106.A O no hydrogen 2.964 N/A UNK 111.A N UNK 107.A O no hydrogen 2.964 N/A UNK 112.A N UNK 108.A O no hydrogen 2.963 N/A UNK 113.A N UNK 109.A O no hydrogen 2.964 N/A UNK 114.A N UNK 110.A O no hydrogen 2.965 N/A UNK 115.A N UNK 111.A O no hydrogen 2.964 N/A UNK 116.A N UNK 112.A O no hydrogen 2.964 N/A UNK 117.A N UNK 113.A O no hydrogen 2.964 N/A UNK 118.A N UNK 114.A O no hydrogen 2.964 N/A UNK 123.A N UNK 119.A O no hydrogen 2.963 N/A UNK 124.A N UNK 120.A O no hydrogen 2.964 N/A UNK 125.A N UNK 121.A O no hydrogen 2.980 N/A UNK 126.A N UNK 122.A O no hydrogen 2.474 N/A UNK 127.A N UNK 123.A O no hydrogen 2.516 N/A UNK 128.A N UNK 124.A O no hydrogen 3.126 N/A UNK 129.A N UNK 125.A O no hydrogen 2.946 N/A UNK 130.A N UNK 126.A O no hydrogen 2.964 N/A UNK 131.A N UNK 127.A O no hydrogen 2.964 N/A UNK 132.A N UNK 128.A O no hydrogen 2.965 N/A UNK 133.A N UNK 129.A O no hydrogen 2.964 N/A UNK 134.A N UNK 130.A O no hydrogen 2.964 N/A UNK 135.A N UNK 131.A O no hydrogen 2.963 N/A UNK 136.A N UNK 132.A O no hydrogen 2.965 N/A UNK 137.A N UNK 133.A O no hydrogen 2.964 N/A UNK 138.A N UNK 134.A O no hydrogen 2.963 N/A UNK 139.A N UNK 135.A O no hydrogen 2.963 N/A UNK 140.A N UNK 136.A O no hydrogen 2.964 N/A UNK 141.A N UNK 137.A O no hydrogen 2.963 N/A UNK 142.A N UNK 138.A O no hydrogen 2.964 N/A UNK 147.A N UNK 143.A O no hydrogen 2.964 N/A UNK 148.A N UNK 144.A O no hydrogen 2.963 N/A UNK 149.A N UNK 145.A O no hydrogen 2.963 N/A UNK 150.A N UNK 146.A O no hydrogen 2.964 N/A UNK 151.A N UNK 147.A O no hydrogen 2.964 N/A UNK 152.A N UNK 148.A O no hydrogen 3.187 N/A UNK 155.A N UNK 151.A O no hydrogen 3.406 N/A UNK 156.A N UNK 152.A O no hydrogen 3.082 N/A UNK 157.A N UNK 153.A O no hydrogen 2.964 N/A UNK 158.A N UNK 154.A O no hydrogen 2.964 N/A UNK 159.A N UNK 155.A O no hydrogen 2.965 N/A UNK 160.A N UNK 156.A O no hydrogen 2.963 N/A UNK 161.A N UNK 157.A O no hydrogen 2.965 N/A UNK 162.A N UNK 158.A O no hydrogen 2.964 N/A UNK 163.A N UNK 159.A O no hydrogen 2.964 N/A UNK 164.A N UNK 160.A O no hydrogen 2.963 N/A UNK 165.A N UNK 161.A O no hydrogen 2.964 N/A UNK 166.A N UNK 162.A O no hydrogen 2.965 N/A UNK 167.A N UNK 163.A O no hydrogen 2.964 N/A UNK 168.A N UNK 164.A O no hydrogen 2.964 N/A UNK 173.A N UNK 169.A O no hydrogen 2.964 N/A UNK 174.A N UNK 170.A O no hydrogen 2.965 N/A UNK 175.A N UNK 171.A O no hydrogen 2.964 N/A UNK 176.A N UNK 172.A O no hydrogen 2.964 N/A UNK 177.A N UNK 173.A O no hydrogen 2.964 N/A UNK 178.A N UNK 174.A O no hydrogen 2.964 N/A UNK 179.A N UNK 175.A O no hydrogen 2.964 N/A UNK 180.A N UNK 176.A O no hydrogen 2.964 N/A UNK 181.A N UNK 177.A O no hydrogen 2.963 N/A UNK 182.A N UNK 178.A O no hydrogen 2.964 N/A UNK 183.A N UNK 179.A O no hydrogen 2.966 N/A UNK 184.A N UNK 180.A O no hydrogen 2.964 N/A UNK 185.A N UNK 181.A O no hydrogen 2.964 N/A UNK 186.A N UNK 182.A O no hydrogen 3.027 N/A UNK 187.A N UNK 183.A O no hydrogen 2.409 N/A UNK 188.A N UNK 184.A O no hydrogen 2.458 N/A UNK 189.A N UNK 185.A O no hydrogen 3.206 N/A UNK 190.A N UNK 186.A O no hydrogen 2.972 N/A UNK 191.A N UNK 187.A O no hydrogen 2.963 N/A UNK 192.A N UNK 188.A O no hydrogen 2.964 N/A UNK 193.A N UNK 189.A O no hydrogen 2.965 N/A UNK 194.A N UNK 190.A O no hydrogen 2.964 N/A UNK 195.A N UNK 191.A O no hydrogen 2.964 N/A UNK 200.A N UNK 196.A O no hydrogen 2.964 N/A UNK 201.A N UNK 197.A O no hydrogen 2.963 N/A UNK 202.A N UNK 198.A O no hydrogen 2.964 N/A UNK 203.A N UNK 199.A O no hydrogen 2.963 N/A UNK 204.A N UNK 200.A O no hydrogen 2.964 N/A UNK 205.A N UNK 201.A O no hydrogen 2.964 N/A UNK 206.A N UNK 202.A O no hydrogen 2.964 N/A UNK 207.A N UNK 203.A O no hydrogen 2.964 N/A UNK 208.A N UNK 204.A O no hydrogen 3.036 N/A UNK 209.A N UNK 205.A O no hydrogen 2.404 N/A UNK 210.A N UNK 206.A O no hydrogen 2.455 N/A UNK 211.A N UNK 207.A O no hydrogen 3.219 N/A UNK 212.A N UNK 208.A O no hydrogen 2.977 N/A UNK 213.A N UNK 209.A O no hydrogen 2.964 N/A UNK 214.A N UNK 210.A O no hydrogen 2.964 N/A UNK 215.A N UNK 211.A O no hydrogen 2.964 N/A UNK 216.A N UNK 212.A O no hydrogen 2.963 N/A UNK 217.A N UNK 213.A O no hydrogen 2.964 N/A UNK 218.A N UNK 214.A O no hydrogen 2.963 N/A UNK 219.A N UNK 215.A O no hydrogen 2.963 N/A UNK 220.A N UNK 216.A O no hydrogen 2.964 N/A UNK 221.A N UNK 217.A O no hydrogen 2.964 N/A UNK 222.A N UNK 218.A O no hydrogen 2.965 N/A UNK 227.A N UNK 223.A O no hydrogen 2.964 N/A UNK 228.A N UNK 224.A O no hydrogen 2.964 N/A UNK 229.A N UNK 225.A O no hydrogen 3.044 N/A UNK 231.A N UNK 226.A O no hydrogen 3.007 N/A UNK 231.A N UNK 227.A O no hydrogen 2.530 N/A UNK 232.A N UNK 228.A O no hydrogen 3.474 N/A UNK 233.A N UNK 229.A O no hydrogen 2.983 N/A UNK 234.A N UNK 230.A O no hydrogen 2.963 N/A UNK 235.A N UNK 231.A O no hydrogen 2.963 N/A UNK 236.A N UNK 232.A O no hydrogen 2.964 N/A UNK 237.A N UNK 233.A O no hydrogen 2.964 N/A UNK 238.A N UNK 234.A O no hydrogen 2.965 N/A UNK 239.A N UNK 235.A O no hydrogen 2.964 N/A UNK 240.A N UNK 236.A O no hydrogen 2.963 N/A UNK 245.A N UNK 241.A O no hydrogen 2.965 N/A UNK 246.A N UNK 242.A O no hydrogen 2.965 N/A UNK 247.A N UNK 243.A O no hydrogen 2.963 N/A UNK 248.A N UNK 244.A O no hydrogen 2.965 N/A UNK 249.A N UNK 245.A O no hydrogen 2.963 N/A UNK 250.A N UNK 246.A O no hydrogen 2.964 N/A UNK 251.A N UNK 247.A O no hydrogen 2.964 N/A UNK 252.A N UNK 248.A O no hydrogen 2.964 N/A UNK 253.A N UNK 249.A O no hydrogen 2.964 N/A UNK 254.A N UNK 250.A O no hydrogen 2.963 N/A UNK 259.A N UNK 255.A O no hydrogen 2.964 N/A UNK 260.A N UNK 256.A O no hydrogen 2.964 N/A UNK 261.A N UNK 257.A O no hydrogen 3.126 N/A UNK 263.A N UNK 259.A O no hydrogen 2.476 N/A UNK 264.A N UNK 260.A O no hydrogen 3.336 N/A UNK 265.A N UNK 261.A O no hydrogen 3.039 N/A UNK 266.A N UNK 262.A O no hydrogen 2.964 N/A UNK 267.A N UNK 263.A O no hydrogen 2.964 N/A UNK 268.A N UNK 264.A O no hydrogen 2.964 N/A UNK 273.A N UNK 269.A O no hydrogen 2.964 N/A UNK 274.A N UNK 270.A O no hydrogen 2.963 N/A UNK 275.A N UNK 271.A O no hydrogen 2.964 N/A UNK 276.A N UNK 272.A O no hydrogen 2.965 N/A UNK 277.A N UNK 273.A O no hydrogen 2.964 N/A UNK 278.A N UNK 274.A O no hydrogen 2.965 N/A UNK 279.A N UNK 275.A O no hydrogen 2.964 N/A UNK 280.A N UNK 276.A O no hydrogen 2.964 N/A UNK 285.A N UNK 281.A O no hydrogen 2.964 N/A UNK 286.A N UNK 282.A O no hydrogen 2.964 N/A UNK 287.A N UNK 283.A O no hydrogen 2.963 N/A UNK 288.A N UNK 284.A O no hydrogen 2.965 N/A UNK 289.A N UNK 286.A O no hydrogen 2.793 N/A UNK 292.A N UNK 289.A O no hydrogen 2.267 N/A UNK 294.A N UNK 290.A O no hydrogen 3.465 N/A UNK 295.A N UNK 291.A O no hydrogen 2.963 N/A UNK 296.A N UNK 292.A O no hydrogen 2.964 N/A UNK 297.A N UNK 293.A O no hydrogen 2.964 N/A UNK 298.A N UNK 294.A O no hydrogen 2.964 N/A UNK 299.A N UNK 295.A O no hydrogen 2.964 N/A UNK 300.A N UNK 296.A O no hydrogen 2.963 N/A UNK 301.A N UNK 297.A O no hydrogen 2.963 N/A UNK 302.A N UNK 298.A O no hydrogen 2.965 N/A UNK 303.A N UNK 299.A O no hydrogen 2.964 N/A UNK 304.A N UNK 300.A O no hydrogen 2.963 N/A