Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4wlu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 1.A N LEU 26.A O no hydrogen 3.361 N/A ALA 2.A N LEU 26.A O no hydrogen 2.854 N/A LYS 3.A N ASP 71.A OD2 no hydrogen 2.813 N/A VAL 4.A N ARG 29.A O no hydrogen 2.853 N/A ALA 5.A N VAL 72.A O no hydrogen 2.875 N/A VAL 6.A N THR 31.A O no hydrogen 2.965 N/A LEU 7.A N VAL 74.A O no hydrogen 2.907 N/A GLY 8.A N TYR 33.A O no hydrogen 2.786 N/A ALA 9.A N TYR 33.A O no hydrogen 3.090 N/A SER 10.A N ASP 34.A OD2 no hydrogen 2.889 N/A SER 10.A OG ALA 36.A O no hydrogen 2.792 N/A GLY 11.A N GLY 8.A O no hydrogen 3.383 N/A GLN 15.A N GLY 11.A O no hydrogen 3.118 N/A GLN 15.A NE2 SER 10.A O no hydrogen 3.017 N/A LEU 17.A N ILE 13.A O no hydrogen 2.920 N/A SER 18.A N GLY 14.A O no hydrogen 2.917 N/A SER 18.A OG GLY 14.A O no hydrogen 2.779 N/A LEU 19.A N GLN 15.A O no hydrogen 2.955 N/A LEU 20.A N PRO 16.A O no hydrogen 3.043 N/A LEU 21.A N LEU 17.A O no hydrogen 3.018 N/A LYS 22.A N SER 18.A O no hydrogen 2.861 N/A LYS 22.A NZ ILE 48.A O no hydrogen 3.369 N/A LYS 22.A NZ THR 50.A O no hydrogen 2.875 N/A LYS 22.A NZ THR 50.A OG1 no hydrogen 3.038 N/A LYS 22.A NZ ALA 52.A O no hydrogen 2.686 N/A ASN 23.A N LEU 19.A O no hydrogen 2.867 N/A SER 24.A N LEU 21.A O no hydrogen 3.131 N/A LEU 26.A N SER 24.A OG no hydrogen 2.988 N/A VAL 27.A N SER 24.A O no hydrogen 3.245 N/A SER 28.A N ALA 2.A O no hydrogen 2.904 N/A SER 28.A OG ALA 2.A O no hydrogen 3.334 N/A ARG 29.A N ALA 2.A O no hydrogen 3.364 N/A ARG 29.A NH1 LYS 68.A O no hydrogen 3.016 N/A ARG 29.A NH2 LYS 68.A O no hydrogen 3.544 N/A LEU 30.A N ALA 53.A O no hydrogen 2.757 N/A THR 31.A N VAL 4.A O no hydrogen 2.944 N/A THR 31.A OG1 VAL 4.A O no hydrogen 3.469 N/A THR 31.A OG1 CYS 66.A O no hydrogen 2.770 N/A LEU 32.A N LYS 55.A O no hydrogen 2.914 N/A TYR 33.A N VAL 6.A O no hydrogen 2.908 N/A ILE 35.A N ASP 34.A OD1 no hydrogen 2.693 N/A THR 38.A OG1 TYR 57.A O no hydrogen 2.858 N/A VAL 41.A N HIS 37.A O no hydrogen 3.187 N/A ALA 42.A N THR 38.A O no hydrogen 2.835 N/A ALA 43.A N PRO 39.A O no hydrogen 2.980 N/A ASP 44.A N GLY 40.A O no hydrogen 3.000 N/A LEU 45.A N VAL 41.A O no hydrogen 2.980 N/A SER 46.A N ALA 42.A O no hydrogen 2.842 N/A SER 46.A OG ALA 42.A O no hydrogen 3.407 N/A SER 46.A OG ALA 43.A O no hydrogen 2.671 N/A HIS 47.A N ASP 44.A O no hydrogen 3.411 N/A ILE 48.A N LEU 45.A O no hydrogen 3.097 N/A THR 50.A N ILE 48.A O no hydrogen 2.800 N/A THR 50.A OG1 LYS 22.A O no hydrogen 2.674 N/A LYS 51.A NZ PRO 25.A O no hydrogen 2.661 N/A ALA 53.A N SER 28.A O no hydrogen 2.942 N/A LYS 55.A N LEU 30.A O no hydrogen 3.107 N/A TYR 57.A N LEU 32.A O no hydrogen 2.683 N/A LEU 58.A N GLN 62.A OE1 no hydrogen 2.895 N/A GLN 62.A N GLY 59.A O no hydrogen 3.003 N/A LEU 63.A N PRO 60.A O no hydrogen 3.269 N/A CYS 66.A N GLN 62.A O no hydrogen 3.150 N/A LEU 67.A N LEU 63.A O no hydrogen 3.200 N/A LEU 67.A N PRO 64.A O no hydrogen 3.193 N/A LYS 68.A N PRO 64.A O no hydrogen 3.003 N/A LYS 68.A NZ HIS 108.A ND1 no hydrogen 3.564 N/A CYS 70.A N LEU 67.A O no hydrogen 3.096 N/A CYS 70.A SG CYS 66.A O no hydrogen 3.312 N/A CYS 70.A SG LEU 67.A O no hydrogen 3.113 N/A ASP 71.A N LYS 3.A O no hydrogen 2.804 N/A VAL 72.A N LYS 3.A O no hydrogen 3.299 N/A VAL 73.A N MET 113.A O no hydrogen 2.803 N/A VAL 74.A N ALA 5.A O no hydrogen 2.786 N/A ILE 75.A N CYS 115.A O no hydrogen 2.836 N/A ALA 77.A N LEU 7.A O no hydrogen 2.953 N/A VAL 79.A N ASN 94.A OD1 no hydrogen 2.798 N/A ARG 81.A NH1 MET 85.A O no hydrogen 2.937 N/A ARG 81.A NH1 THR 212.A OG1 no hydrogen 3.013 N/A ARG 81.A NH2 THR 212.A OG1 no hydrogen 3.260 N/A LYS 82.A NZ GLY 220.A O no hydrogen 2.825 N/A MET 85.A N LYS 82.A O no hydrogen 3.087 N/A THR 86.A N ASP 89.A OD2 no hydrogen 2.930 N/A ASP 89.A N THR 86.A O no hydrogen 3.239 N/A ASP 89.A N THR 86.A OG1 no hydrogen 3.032 N/A LEU 90.A N ARG 87.A O no hydrogen 3.033 N/A PHE 91.A N ASP 88.A O no hydrogen 2.971 N/A THR 93.A N LEU 90.A O no hydrogen 3.253 N/A ASN 94.A N LEU 90.A O no hydrogen 3.107 N/A ASN 94.A ND2 VAL 79.A O no hydrogen 3.155 N/A ASN 94.A ND2 ASN 119.A O no hydrogen 2.809 N/A ALA 95.A N PHE 91.A O no hydrogen 2.870 N/A VAL 98.A N ASN 94.A O no hydrogen 2.895 N/A ALA 99.A N ALA 95.A O no hydrogen 2.932 N/A THR 100.A N THR 96.A O no hydrogen 3.013 N/A THR 100.A OG1 THR 96.A O no hydrogen 2.817 N/A LEU 101.A N ILE 97.A O no hydrogen 3.066 N/A THR 102.A N VAL 98.A O no hydrogen 2.889 N/A THR 102.A OG1 VAL 98.A O no hydrogen 2.688 N/A THR 102.A OG1 ALA 99.A O no hydrogen 3.374 N/A ALA 103.A N ALA 99.A O no hydrogen 3.001 N/A ALA 104.A N THR 100.A O no hydrogen 3.200 N/A CYS 105.A N LEU 101.A O no hydrogen 3.111 N/A CYS 105.A SG LEU 101.A O no hydrogen 3.372 N/A ALA 106.A N THR 102.A O no hydrogen 2.908 N/A GLN 107.A N ALA 103.A O no hydrogen 3.074 N/A HIS 108.A N ALA 104.A O no hydrogen 2.922 N/A CYS 109.A N CYS 105.A O no hydrogen 2.841 N/A CYS 109.A SG CYS 105.A O no hydrogen 3.843 N/A ALA 112.A N CYS 109.A O no hydrogen 3.122 N/A MET 113.A N ASP 71.A O no hydrogen 2.901 N/A ILE 114.A N LYS 142.A O no hydrogen 2.828 N/A CYS 115.A N VAL 73.A O no hydrogen 2.731 N/A VAL 116.A N PHE 144.A O no hydrogen 2.758 N/A ILE 117.A N ILE 75.A O no hydrogen 2.912 N/A ALA 118.A N ILE 75.A O no hydrogen 2.969 N/A VAL 121.A N ASN 119.A OD1 no hydrogen 3.236 N/A ASN 122.A ND2 THR 181.A OG1 no hydrogen 3.275 N/A SER 123.A N PRO 120.A O no hydrogen 2.912 N/A SER 123.A OG SER 303.A O no hydrogen 2.657 N/A THR 124.A N PRO 120.A O no hydrogen 2.900 N/A THR 124.A OG1 ALA 118.A O no hydrogen 2.941 N/A THR 124.A OG1 PRO 120.A O no hydrogen 3.211 N/A ILE 125.A N VAL 121.A O no hydrogen 3.214 N/A ILE 127.A N SER 123.A O no hydrogen 3.119 N/A THR 128.A N THR 124.A O no hydrogen 2.957 N/A THR 128.A OG1 THR 124.A O no hydrogen 2.681 N/A ALA 129.A N ILE 125.A O no hydrogen 2.885 N/A GLU 130.A N PRO 126.A O no hydrogen 2.953 N/A VAL 131.A N ILE 127.A O no hydrogen 2.879 N/A PHE 132.A N THR 128.A O no hydrogen 2.994 N/A LYS 133.A N ALA 129.A O no hydrogen 2.954 N/A LYS 133.A NZ GLU 130.A OE2 no hydrogen 2.996 N/A LYS 134.A N GLU 130.A O no hydrogen 3.051 N/A HIS 135.A N VAL 131.A O no hydrogen 3.308 N/A HIS 135.A ND1 VAL 131.A O no hydrogen 2.915 N/A GLY 136.A N LYS 133.A O no hydrogen 2.804 N/A VAL 137.A N PHE 132.A O no hydrogen 3.058 N/A ASN 141.A N ASN 139.A OD1 no hydrogen 2.965 N/A LYS 142.A N ASN 139.A O no hydrogen 3.020 N/A LYS 142.A NZ GLU 111.A O no hydrogen 2.915 N/A LYS 142.A NZ GLU 111.A OE1 no hydrogen 3.258 N/A PHE 144.A N ILE 114.A O no hydrogen 2.776 N/A GLY 145.A N PHE 254.A O no hydrogen 2.857 N/A VAL 146.A N VAL 116.A O no hydrogen 3.030 N/A THR 147.A OG1 CYS 252.A O no hydrogen 3.451 N/A ASP 150.A N THR 147.A O no hydrogen 3.004 N/A VAL 152.A N THR 148.A O no hydrogen 2.923 N/A ARG 153.A N LEU 149.A O no hydrogen 2.820 N/A ALA 154.A N ASP 150.A O no hydrogen 2.953 N/A ASN 155.A N ILE 151.A O no hydrogen 2.858 N/A THR 156.A N VAL 152.A O no hydrogen 3.070 N/A THR 156.A OG1 VAL 152.A O no hydrogen 3.147 N/A PHE 157.A N ARG 153.A O no hydrogen 2.879 N/A VAL 158.A N ALA 154.A O no hydrogen 2.930 N/A ALA 159.A N ASN 155.A O no hydrogen 2.946 N/A GLU 160.A N THR 156.A O no hydrogen 2.895 N/A LEU 161.A N PHE 157.A O no hydrogen 3.092 N/A LYS 162.A N VAL 158.A O no hydrogen 3.005 N/A LYS 162.A NZ ASP 194.A O no hydrogen 2.566 N/A LEU 164.A N ALA 159.A O no hydrogen 2.806 N/A ALA 167.A N ASP 165.A OD1 no hydrogen 3.263 N/A ARG 168.A N ASP 165.A O no hydrogen 2.899 N/A VAL 169.A N PRO 166.A O no hydrogen 3.231 N/A ASN 170.A N THR 190.A O no hydrogen 2.802 N/A VAL 171.A N ASN 155.A OD1 no hydrogen 2.700 N/A ILE 174.A N ILE 183.A O no hydrogen 2.882 N/A GLY 175.A N SER 266.A O no hydrogen 3.034 N/A GLY 176.A N THR 181.A O no hydrogen 2.710 N/A HIS 177.A N ASN 122.A OD1 no hydrogen 2.823 N/A HIS 177.A ND1 ASP 150.A OD2 no hydrogen 2.728 N/A ALA 178.A N THR 181.A OG1 no hydrogen 3.050 N/A THR 181.A N ALA 178.A O no hydrogen 2.764 N/A THR 181.A OG1 ALA 178.A O no hydrogen 2.578 N/A ILE 182.A N GLY 179.A O no hydrogen 3.095 N/A ILE 183.A N ILE 174.A O no hydrogen 2.921 N/A LEU 185.A N PRO 172.A O no hydrogen 2.738 N/A SER 187.A N GLU 289.A OE2 no hydrogen 2.986 N/A SER 187.A OG GLU 289.A OE1 no hydrogen 2.663 N/A SER 187.A OG GLU 289.A OE2 no hydrogen 3.249 N/A GLN 188.A N LEU 185.A O no hydrogen 2.932 N/A GLN 188.A NE2 ILE 282.A O no hydrogen 2.853 N/A GLN 188.A NE2 LYS 284.A O no hydrogen 2.782 N/A CYS 189.A N ILE 186.A O no hydrogen 3.154 N/A CYS 189.A SG ASN 170.A O no hydrogen 4.048 N/A CYS 189.A SG PRO 191.A O no hydrogen 3.308 N/A THR 190.A N ASN 170.A O no hydrogen 3.065 N/A LEU 200.A N PRO 196.A O no hydrogen 2.968 N/A THR 201.A N GLN 197.A O no hydrogen 2.842 N/A THR 201.A OG1 GLN 197.A O no hydrogen 3.115 N/A ALA 202.A N ASP 198.A O no hydrogen 3.210 N/A LEU 203.A N GLN 199.A O no hydrogen 2.801 N/A THR 204.A N LEU 200.A O no hydrogen 2.983 N/A THR 204.A OG1 LEU 200.A O no hydrogen 2.841 N/A GLY 205.A N THR 201.A O no hydrogen 3.036 N/A ARG 206.A N ALA 202.A O no hydrogen 2.859 N/A ILE 207.A N LEU 203.A O no hydrogen 2.981 N/A GLN 208.A N THR 204.A O no hydrogen 3.071 N/A GLN 208.A NE2 ILE 182.A O no hydrogen 2.878 N/A GLU 209.A N GLY 205.A O no hydrogen 2.980 N/A GLU 213.A N GLU 209.A O no hydrogen 2.895 N/A VAL 214.A N ALA 210.A O no hydrogen 3.110 N/A VAL 215.A N GLY 211.A O no hydrogen 3.078 N/A LYS 216.A N THR 212.A O no hydrogen 2.862 N/A LYS 216.A NZ GLU 213.A OE2 no hydrogen 3.507 N/A ALA 217.A N GLU 213.A O no hydrogen 2.914 N/A LYS 218.A N VAL 214.A O no hydrogen 2.884 N/A LYS 218.A N VAL 215.A O no hydrogen 3.173 N/A LYS 218.A NZ SER 223.A O no hydrogen 2.727 N/A ALA 219.A N VAL 215.A O no hydrogen 3.065 N/A ALA 219.A N LYS 216.A O no hydrogen 3.206 N/A ALA 221.A N LYS 218.A O no hydrogen 2.896 N/A ALA 229.A N THR 225.A O no hydrogen 2.882 N/A TYR 230.A N LEU 226.A O no hydrogen 2.995 N/A ALA 231.A N SER 227.A O no hydrogen 2.997 N/A GLY 232.A N MET 228.A O no hydrogen 2.805 N/A ALA 233.A N ALA 229.A O no hydrogen 2.917 N/A ARG 234.A N TYR 230.A O no hydrogen 2.903 N/A ARG 234.A NE GLU 251.A OE2 no hydrogen 2.906 N/A ARG 234.A NH1 GLU 251.A OE1 no hydrogen 2.950 N/A PHE 235.A N ALA 231.A O no hydrogen 3.058 N/A VAL 236.A N GLY 232.A O no hydrogen 2.984 N/A PHE 237.A N ALA 233.A O no hydrogen 2.895 N/A SER 238.A N ARG 234.A O no hydrogen 2.909 N/A SER 238.A OG ARG 234.A O no hydrogen 3.237 N/A SER 238.A OG GLU 251.A OE2 no hydrogen 2.694 N/A LEU 239.A N PHE 235.A O no hydrogen 2.974 N/A VAL 240.A N VAL 236.A O no hydrogen 2.805 N/A ASP 241.A N PHE 237.A O no hydrogen 2.842 N/A ALA 242.A N SER 238.A O no hydrogen 3.072 N/A MET 243.A N LEU 239.A O no hydrogen 2.894 N/A ASN 244.A N VAL 240.A O no hydrogen 2.868 N/A GLY 245.A N ALA 242.A O no hydrogen 2.950 N/A LYS 246.A N ASP 241.A O no hydrogen 2.939 N/A GLU 251.A N LEU 269.A O no hydrogen 3.024 N/A CYS 252.A SG VAL 173.A O no hydrogen 3.465 N/A SER 253.A OG GLY 145.A O no hydrogen 2.909 N/A PHE 254.A N GLY 145.A O no hydrogen 3.018 N/A VAL 255.A N PHE 265.A O no hydrogen 3.172 N/A LYS 256.A NZ GLN 258.A OE1 no hydrogen 2.781 N/A LYS 256.A NZ THR 263.A O no hydrogen 3.103 N/A SER 257.A N THR 263.A O no hydrogen 2.854 N/A GLU 259.A N SER 257.A OG no hydrogen 3.149 N/A CYS 262.A N THR 260.A OG1 no hydrogen 3.022 N/A CYS 262.A SG ILE 297.A O no hydrogen 3.939 N/A PHE 265.A N VAL 255.A O no hydrogen 2.978 N/A SER 266.A N GLY 175.A O no hydrogen 2.737 N/A THR 267.A OG1 ASN 279.A OD1 no hydrogen 2.587 N/A LEU 269.A N GLU 251.A O no hydrogen 2.751 N/A LEU 270.A N LYS 278.A O no hydrogen 2.788 N/A LEU 271.A N VAL 249.A O no hydrogen 2.853 N/A GLY 272.A N GLY 275.A O no hydrogen 2.643 N/A GLY 275.A N GLY 272.A O no hydrogen 3.319 N/A ILE 276.A N ASN 141.A O no hydrogen 2.922 N/A GLU 277.A N LEU 270.A O no hydrogen 2.761 N/A LYS 278.A N LEU 270.A O no hydrogen 3.055 N/A LEU 280.A N PRO 268.A O no hydrogen 2.991 N/A GLY 281.A N ASN 279.A OD1 no hydrogen 2.834 N/A ILE 282.A N GLU 259.A OE1 no hydrogen 3.173 N/A SER 286.A N GLU 289.A OE1 no hydrogen 2.944 N/A GLU 289.A N SER 286.A OG no hydrogen 3.169 N/A GLU 290.A N SER 286.A O no hydrogen 2.893 N/A LYS 291.A N SER 287.A O no hydrogen 2.940 N/A LYS 291.A NZ ASP 295.A OD1 no hydrogen 3.011 N/A MET 292.A N PHE 288.A O no hydrogen 3.155 N/A ILE 293.A N GLU 289.A O no hydrogen 3.012 N/A SER 294.A N GLU 290.A O no hydrogen 3.090 N/A ASP 295.A N LYS 291.A O no hydrogen 2.899 N/A ALA 296.A N MET 292.A O no hydrogen 2.972 N/A ALA 296.A N ILE 293.A O no hydrogen 3.085 N/A ILE 297.A N ILE 293.A O no hydrogen 3.267 N/A LEU 300.A N ALA 296.A O no hydrogen 3.049 N/A LYS 301.A N ILE 297.A O no hydrogen 2.921 N/A LYS 301.A NZ GLU 261.A OE1 no hydrogen 2.893 N/A ALA 302.A N PRO 298.A O no hydrogen 3.098 N/A SER 303.A N GLU 299.A O no hydrogen 2.893 N/A SER 303.A OG GLU 299.A O no hydrogen 3.404 N/A ILE 304.A N LEU 300.A O no hydrogen 2.792 N/A LYS 305.A N LYS 301.A O no hydrogen 2.956 N/A LYS 305.A NZ ASP 309.A OD2 no hydrogen 2.902 N/A LYS 306.A N ALA 302.A O no hydrogen 3.061 N/A LYS 306.A NZ ASP 88.A OD1 no hydrogen 3.023 N/A LYS 306.A NZ ASP 88.A OD2 no hydrogen 3.028 N/A GLY 307.A N SER 303.A O no hydrogen 3.235 N/A GLU 308.A N ILE 304.A O no hydrogen 2.985 N/A ASP 309.A N LYS 305.A O no hydrogen 2.698 N/A PHE 310.A N LYS 306.A O no hydrogen 3.141 N/A VAL 311.A N GLY 307.A O no hydrogen 3.461 N/A LYS 312.A N GLU 308.A O no hydrogen 3.210 N/A THR 313.A N ASP 309.A O no hydrogen 3.117 N/A THR 313.A N PHE 310.A O no hydrogen 3.317 N/A THR 313.A OG1 PHE 310.A O no hydrogen 2.662 N/A LEU 314.A N VAL 311.A O no hydrogen 3.363 N/A