Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8cqq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 5.A N ALA 1.A O no hydrogen 2.873 N/A ASN 6.A N GLU 2.A O no hydrogen 2.942 N/A ASN 6.A ND2 GLU 2.A OE1 no hydrogen 3.347 N/A LEU 7.A N ALA 3.A O no hydrogen 3.022 N/A GLY 8.A N TRP 4.A O no hydrogen 2.879 N/A ASN 9.A N TYR 5.A O no hydrogen 2.904 N/A ASN 9.A ND2 ASN 6.A OD1 no hydrogen 3.218 N/A ALA 10.A N ASN 6.A O no hydrogen 2.841 N/A TYR 11.A N LEU 7.A O no hydrogen 2.998 N/A TYR 12.A N GLY 8.A O no hydrogen 2.933 N/A LYS 13.A N ASN 9.A O no hydrogen 2.875 N/A GLN 14.A N ALA 10.A O no hydrogen 3.261 N/A GLN 14.A N TYR 11.A O no hydrogen 3.108 N/A GLY 15.A N TYR 12.A O no hydrogen 2.915 N/A ASP 16.A N TYR 11.A O no hydrogen 3.048 N/A GLU 19.A N GLU 19.A OE1 no hydrogen 2.356 N/A ALA 20.A N ASP 16.A O no hydrogen 3.024 N/A ILE 21.A N TYR 17.A O no hydrogen 3.000 N/A GLU 22.A N ASP 18.A O no hydrogen 3.248 N/A TYR 23.A N GLU 19.A O no hydrogen 3.191 N/A TYR 23.A N ALA 20.A O no hydrogen 3.256 N/A TYR 24.A N ALA 20.A O no hydrogen 2.918 N/A TYR 24.A OH ASN 9.A OD1 no hydrogen 2.436 N/A GLN 25.A N ILE 21.A O no hydrogen 3.017 N/A LYS 26.A N GLU 22.A O no hydrogen 3.152 N/A ALA 27.A N TYR 23.A O no hydrogen 2.919 N/A LEU 28.A N TYR 24.A O no hydrogen 3.002 N/A GLU 29.A N GLN 25.A O no hydrogen 2.828 N/A LEU 30.A N LYS 26.A O no hydrogen 3.302 N/A LEU 30.A N ALA 27.A O no hydrogen 3.242 N/A ASP 31.A N ALA 27.A O no hydrogen 2.907 N/A SER 34.A OG GLU 36.A OE2 no hydrogen 3.395 N/A TRP 38.A N SER 34.A O no hydrogen 3.455 N/A TRP 38.A NE1 PRO 32.A O no hydrogen 2.948 N/A TYR 39.A N ALA 35.A O no hydrogen 3.029 N/A TYR 39.A OH GLU 70.A OE1 no hydrogen 3.175 N/A TYR 39.A OH ASN 74.A OD1 no hydrogen 2.794 N/A ASN 40.A N GLU 36.A O no hydrogen 2.887 N/A ASN 40.A ND2 ASN 9.A OD1 no hydrogen 3.274 N/A LEU 41.A N ALA 37.A O no hydrogen 2.832 N/A GLY 42.A N TRP 38.A O no hydrogen 2.988 N/A ASN 43.A N TYR 39.A O no hydrogen 3.038 N/A ASN 43.A ND2 ASN 40.A OD1 no hydrogen 3.450 N/A ALA 44.A N ASN 40.A O no hydrogen 2.959 N/A TYR 45.A N LEU 41.A O no hydrogen 3.057 N/A TYR 46.A N GLY 42.A O no hydrogen 2.817 N/A LYS 47.A N ASN 43.A O no hydrogen 2.906 N/A GLN 48.A N ALA 44.A O no hydrogen 3.311 N/A GLN 48.A N TYR 45.A O no hydrogen 3.081 N/A GLY 49.A N TYR 46.A O no hydrogen 3.045 N/A ASP 50.A N TYR 45.A O no hydrogen 3.033 N/A ALA 54.A N ASP 50.A O no hydrogen 3.146 N/A ILE 55.A N TYR 51.A O no hydrogen 3.213 N/A GLU 56.A N ASP 52.A O no hydrogen 3.252 N/A TYR 57.A N GLU 53.A O no hydrogen 2.974 N/A TYR 58.A N ALA 54.A O no hydrogen 2.804 N/A TYR 58.A OH ASN 43.A OD1 no hydrogen 2.471 N/A GLN 59.A N ILE 55.A O no hydrogen 2.935 N/A LYS 60.A N GLU 56.A O no hydrogen 3.187 N/A ALA 61.A N TYR 57.A O no hydrogen 3.108 N/A LEU 62.A N TYR 58.A O no hydrogen 3.096 N/A GLU 63.A N GLN 59.A O no hydrogen 3.016 N/A GLU 63.A N LYS 60.A O no hydrogen 2.869 N/A LEU 64.A N LYS 60.A O no hydrogen 3.304 N/A ARG 67.A N ASP 65.A OD1 no hydrogen 3.018 N/A TRP 72.A N SER 68.A O no hydrogen 3.365 N/A TRP 72.A NE1 PRO 66.A O no hydrogen 3.074 N/A TYR 73.A N ALA 69.A O no hydrogen 3.083 N/A ASN 74.A N GLU 70.A O no hydrogen 2.969 N/A LEU 75.A N ALA 71.A O no hydrogen 2.931 N/A GLY 76.A N TRP 72.A O no hydrogen 2.943 N/A ASN 77.A N TYR 73.A O no hydrogen 2.915 N/A ALA 78.A N ASN 74.A O no hydrogen 2.860 N/A TYR 79.A N LEU 75.A O no hydrogen 3.028 N/A TYR 80.A N GLY 76.A O no hydrogen 2.853 N/A LYS 81.A N ASN 77.A O no hydrogen 3.010 N/A LYS 81.A NZ TYR 46.A OH no hydrogen 3.560 N/A GLN 82.A N ALA 78.A O no hydrogen 3.074 N/A GLN 82.A NE2 ASP 84.A OD2 no hydrogen 2.832 N/A GLY 83.A N TYR 80.A O no hydrogen 3.104 N/A ASP 84.A N TYR 79.A O no hydrogen 3.063 N/A GLU 87.A N GLU 87.A OE1 no hydrogen 2.634 N/A ALA 88.A N ASP 84.A O no hydrogen 3.071 N/A ILE 89.A N TYR 85.A O no hydrogen 2.963 N/A GLU 90.A N ASP 86.A O no hydrogen 3.213 N/A TYR 91.A N GLU 87.A O no hydrogen 3.023 N/A TYR 91.A N ALA 88.A O no hydrogen 2.997 N/A TYR 92.A N ALA 88.A O no hydrogen 2.909 N/A TYR 92.A OH ASN 77.A OD1 no hydrogen 2.411 N/A GLN 93.A N ILE 89.A O no hydrogen 2.926 N/A LYS 94.A N GLU 90.A O no hydrogen 3.105 N/A ALA 95.A N TYR 91.A O no hydrogen 2.860 N/A LEU 96.A N TYR 92.A O no hydrogen 2.906 N/A GLU 97.A N GLN 93.A O no hydrogen 2.840 N/A LEU 98.A N LYS 94.A O no hydrogen 3.335 N/A ASP 99.A N ALA 95.A O no hydrogen 2.857 N/A ARG 101.A N ASP 99.A OD1 no hydrogen 3.431 N/A SER 102.A OG GLU 104.A OE2 no hydrogen 2.662 N/A GLU 104.A N GLU 104.A OE2 no hydrogen 2.928 N/A ALA 105.A N SER 102.A OG no hydrogen 3.409 N/A TRP 106.A NE1 PRO 100.A O no hydrogen 3.087 N/A TYR 107.A N ALA 103.A O no hydrogen 2.969 N/A ASN 108.A N GLU 104.A O no hydrogen 2.982 N/A ASN 108.A ND2 ASN 77.A OD1 no hydrogen 3.233 N/A LEU 109.A N ALA 105.A O no hydrogen 2.781 N/A GLY 110.A N TRP 106.A O no hydrogen 2.827 N/A ASN 111.A N TYR 107.A O no hydrogen 2.958 N/A ASN 111.A ND2 ASN 108.A OD1 no hydrogen 3.534 N/A ALA 112.A N ASN 108.A O no hydrogen 3.003 N/A TYR 113.A N LEU 109.A O no hydrogen 3.137 N/A TYR 114.A N GLY 110.A O no hydrogen 2.908 N/A LYS 115.A N ASN 111.A O no hydrogen 2.982 N/A GLN 116.A N ALA 112.A O no hydrogen 3.285 N/A GLN 116.A N TYR 113.A O no hydrogen 3.194 N/A GLY 117.A N TYR 114.A O no hydrogen 2.942 N/A ASP 118.A N TYR 113.A O no hydrogen 2.982 N/A ASP 120.A N ASP 120.A OD1 no hydrogen 2.561 N/A ALA 122.A N ASP 118.A O no hydrogen 3.089 N/A ILE 123.A N TYR 119.A O no hydrogen 3.173 N/A GLU 124.A N ASP 120.A O no hydrogen 3.121 N/A TYR 125.A N GLU 121.A O no hydrogen 3.080 N/A TYR 126.A N ALA 122.A O no hydrogen 2.888 N/A TYR 126.A OH ASN 111.A OD1 no hydrogen 2.451 N/A GLN 127.A N ILE 123.A O no hydrogen 2.868 N/A LYS 128.A N GLU 124.A O no hydrogen 3.084 N/A ALA 129.A N TYR 125.A O no hydrogen 2.953 N/A LEU 130.A N TYR 126.A O no hydrogen 3.114 N/A GLU 131.A N GLN 127.A O no hydrogen 2.977 N/A LEU 132.A N LYS 128.A O no hydrogen 3.408 N/A LEU 132.A N ALA 129.A O no hydrogen 3.186 N/A ASP 133.A N ALA 129.A O no hydrogen 3.006 N/A ARG 135.A N ASP 133.A OD1 no hydrogen 2.980 N/A ALA 139.A N SER 136.A O no hydrogen 3.121 N/A TRP 140.A N SER 136.A O no hydrogen 3.241 N/A TRP 140.A NE1 PRO 134.A O no hydrogen 3.157 N/A TYR 141.A N ALA 137.A O no hydrogen 2.944 N/A ASN 142.A N GLU 138.A O no hydrogen 2.840 N/A LEU 143.A N ALA 139.A O no hydrogen 3.009 N/A GLY 144.A N TRP 140.A O no hydrogen 2.830 N/A ASN 145.A N TYR 141.A O no hydrogen 2.973 N/A ASN 145.A ND2 ASN 142.A OD1 no hydrogen 3.167 N/A ALA 146.A N ASN 142.A O no hydrogen 2.939 N/A TYR 147.A N LEU 143.A O no hydrogen 3.115 N/A TYR 148.A N GLY 144.A O no hydrogen 2.850 N/A LYS 149.A N ASN 145.A O no hydrogen 2.873 N/A GLN 150.A N ALA 146.A O no hydrogen 3.295 N/A GLN 150.A N TYR 147.A O no hydrogen 3.193 N/A GLY 151.A N TYR 148.A O no hydrogen 3.051 N/A ASP 152.A N TYR 147.A O no hydrogen 2.952 N/A ALA 156.A N ASP 152.A O no hydrogen 2.900 N/A ILE 157.A N TYR 153.A O no hydrogen 3.088 N/A GLU 158.A N ASP 154.A O no hydrogen 3.232 N/A TYR 159.A N GLU 155.A O no hydrogen 3.033 N/A TYR 159.A N ALA 156.A O no hydrogen 3.028 N/A TYR 160.A N ALA 156.A O no hydrogen 2.842 N/A TYR 160.A OH ASN 145.A OD1 no hydrogen 2.602 N/A GLN 161.A N ILE 157.A O no hydrogen 2.965 N/A LYS 162.A N GLU 158.A O no hydrogen 3.180 N/A ALA 163.A N TYR 159.A O no hydrogen 3.061 N/A LEU 164.A N TYR 160.A O no hydrogen 2.989 N/A GLU 165.A N GLN 161.A O no hydrogen 2.899 N/A LEU 166.A N LYS 162.A O no hydrogen 3.290 N/A LEU 166.A N ALA 163.A O no hydrogen 3.125 N/A ASP 167.A N ALA 163.A O no hydrogen 2.891 N/A ARG 169.A N ASP 167.A OD1 no hydrogen 3.323 N/A SER 170.A OG GLU 172.A OE1 no hydrogen 3.568 N/A GLU 172.A N GLU 172.A OE1 no hydrogen 2.983 N/A TRP 174.A N SER 170.A O no hydrogen 3.416 N/A TRP 174.A NE1 PRO 168.A O no hydrogen 2.933 N/A TYR 175.A N ALA 171.A O no hydrogen 3.030 N/A ASN 176.A N GLU 172.A O no hydrogen 2.850 N/A ASN 176.A ND2 ASN 145.A OD1 no hydrogen 3.405 N/A LEU 177.A N ALA 173.A O no hydrogen 3.009 N/A GLY 178.A N TRP 174.A O no hydrogen 2.949 N/A ASN 179.A N TYR 175.A O no hydrogen 2.962 N/A ASN 179.A ND2 ASN 176.A OD1 no hydrogen 3.479 N/A ALA 180.A N ASN 176.A O no hydrogen 3.078 N/A TYR 181.A N LEU 177.A O no hydrogen 3.033 N/A TYR 182.A N GLY 178.A O no hydrogen 2.814 N/A LYS 183.A N ASN 179.A O no hydrogen 2.930 N/A GLN 184.A N ALA 180.A O no hydrogen 3.217 N/A GLN 184.A N TYR 181.A O no hydrogen 3.155 N/A GLY 185.A N TYR 182.A O no hydrogen 2.983 N/A ASP 186.A N TYR 181.A O no hydrogen 3.052 N/A GLU 189.A N ASP 186.A O no hydrogen 3.258 N/A ALA 190.A N ASP 186.A O no hydrogen 3.193 N/A ILE 191.A N TYR 187.A O no hydrogen 3.180 N/A GLU 192.A N ASP 188.A O no hydrogen 3.287 N/A TYR 193.A N GLU 189.A O no hydrogen 2.939 N/A TYR 194.A N ALA 190.A O no hydrogen 2.858 N/A TYR 194.A OH ASN 179.A OD1 no hydrogen 2.556 N/A GLN 195.A N ILE 191.A O no hydrogen 2.985 N/A LYS 196.A N GLU 192.A O no hydrogen 3.189 N/A ALA 197.A N TYR 193.A O no hydrogen 3.041 N/A LEU 198.A N TYR 194.A O no hydrogen 3.023 N/A GLU 199.A N GLN 195.A O no hydrogen 2.939 N/A LEU 200.A N LYS 196.A O no hydrogen 3.275 N/A LEU 200.A N ALA 197.A O no hydrogen 3.103 N/A ASP 201.A N ALA 197.A O no hydrogen 2.855 N/A ARG 203.A N ASP 201.A OD1 no hydrogen 3.482 N/A TRP 208.A N SER 204.A O no hydrogen 3.495 N/A TRP 208.A NE1 PRO 202.A O no hydrogen 3.068 N/A TYR 209.A N ALA 205.A O no hydrogen 2.877 N/A ASN 210.A N GLU 206.A O no hydrogen 2.848 N/A ASN 210.A ND2 ASN 179.A OD1 no hydrogen 3.376 N/A LEU 211.A N ALA 207.A O no hydrogen 2.878 N/A GLY 212.A N TRP 208.A O no hydrogen 2.792 N/A ASN 213.A N TYR 209.A O no hydrogen 2.930 N/A ALA 214.A N ASN 210.A O no hydrogen 2.879 N/A TYR 215.A N LEU 211.A O no hydrogen 3.174 N/A TYR 216.A N GLY 212.A O no hydrogen 2.898 N/A LYS 217.A N ASN 213.A O no hydrogen 2.974 N/A GLN 218.A N ALA 214.A O no hydrogen 3.185 N/A GLY 219.A N TYR 215.A O no hydrogen 3.028 N/A GLY 219.A N TYR 216.A O no hydrogen 3.005 N/A ASP 220.A N TYR 215.A O no hydrogen 3.137 N/A GLU 223.A N ASP 220.A OD1 no hydrogen 3.289 N/A ALA 224.A N ASP 220.A O no hydrogen 2.978 N/A ILE 225.A N TYR 221.A O no hydrogen 2.929 N/A GLU 226.A N ASP 222.A O no hydrogen 3.236 N/A TYR 227.A N GLU 223.A O no hydrogen 3.221 N/A TYR 227.A N ALA 224.A O no hydrogen 3.133 N/A TYR 228.A N ALA 224.A O no hydrogen 2.935 N/A TYR 228.A OH ASN 213.A OD1 no hydrogen 2.481 N/A GLN 229.A N ILE 225.A O no hydrogen 3.049 N/A LYS 230.A N GLU 226.A O no hydrogen 3.118 N/A LYS 230.A NZ LYS 230.A O no hydrogen 3.420 N/A ALA 231.A N TYR 227.A O no hydrogen 2.944 N/A LEU 232.A N TYR 228.A O no hydrogen 2.922 N/A GLU 233.A N GLN 229.A O no hydrogen 2.878 N/A LEU 234.A N ALA 231.A O no hydrogen 3.122 N/A ASP 235.A N ALA 231.A O no hydrogen 2.917 N/A SER 238.A N ASP 235.A O no hydrogen 3.378 N/A SER 238.A OG GLU 240.A OE1 no hydrogen 2.883 N/A SER 238.A OG GLU 240.A OE2 no hydrogen 2.908 N/A TRP 242.A N SER 238.A O no hydrogen 3.530 N/A TRP 242.A NE1 PRO 236.A O no hydrogen 2.970 N/A TYR 243.A N ALA 239.A O no hydrogen 3.019 N/A ASN 244.A N GLU 240.A O no hydrogen 2.876 N/A LEU 245.A N ALA 241.A O no hydrogen 2.869 N/A GLY 246.A N TRP 242.A O no hydrogen 2.849 N/A ASN 247.A N TYR 243.A O no hydrogen 2.954 N/A ASN 247.A ND2 ASN 244.A OD1 no hydrogen 3.680 N/A ALA 248.A N ASN 244.A O no hydrogen 2.976 N/A TYR 249.A N LEU 245.A O no hydrogen 3.064 N/A TYR 250.A N GLY 246.A O no hydrogen 2.882 N/A LYS 251.A N ASN 247.A O no hydrogen 2.846 N/A GLN 252.A N ALA 248.A O no hydrogen 3.204 N/A GLY 253.A N TYR 250.A O no hydrogen 2.826 N/A ASP 254.A N TYR 249.A O no hydrogen 2.984 N/A GLU 257.A N ASP 254.A OD1 no hydrogen 3.426 N/A ALA 258.A N ASP 254.A O no hydrogen 3.130 N/A ILE 259.A N TYR 255.A O no hydrogen 3.093 N/A GLU 260.A N ASP 256.A O no hydrogen 3.190 N/A TYR 261.A N GLU 257.A O no hydrogen 2.945 N/A TYR 262.A N ALA 258.A O no hydrogen 2.823 N/A TYR 262.A OH ASN 247.A OD1 no hydrogen 2.534 N/A GLN 263.A N ILE 259.A O no hydrogen 2.928 N/A LYS 264.A N GLU 260.A O no hydrogen 3.110 N/A ALA 265.A N TYR 261.A O no hydrogen 3.063 N/A LEU 266.A N TYR 262.A O no hydrogen 3.238 N/A GLU 267.A N GLN 263.A O no hydrogen 3.015 N/A LEU 268.A N LYS 264.A O no hydrogen 3.232 N/A LEU 268.A N ALA 265.A O no hydrogen 3.216 N/A ARG 271.A N ASP 269.A OD1 no hydrogen 3.355 N/A