Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wl8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 4.A N GLN 136.A O no hydrogen 3.121 N/A CYS 5.A SG CYS 137.A O no hydrogen 3.281 N/A CYS 5.A SG THR 140.A OG1 no hydrogen 3.391 N/A TYR 9.A N PRO 6.A O no hydrogen 2.877 N/A TYR 9.A OH VAL 17.A O no hydrogen 2.686 N/A LYS 12.A N ASN 16.A OD1 no hydrogen 2.869 N/A LYS 12.A NZ GLU 13.A O no hydrogen 2.950 N/A GLY 14.A N VAL 30.A O no hydrogen 2.840 N/A ASN 16.A N PHE 28.A O no hydrogen 2.754 N/A ASN 16.A ND2 LYS 12.A O no hydrogen 2.891 N/A ASN 16.A ND2 GLY 14.A O no hydrogen 2.948 N/A ASN 16.A ND2 PHE 28.A O no hydrogen 3.622 N/A ASP 18.A N GLN 85.A OE1 no hydrogen 2.651 N/A PHE 19.A N ARG 26.A O no hydrogen 2.825 N/A HIS 21.A N MET 24.A O no hydrogen 2.953 N/A HIS 21.A NE2 SER 129.A OG no hydrogen 2.730 N/A LYS 22.A NZ SER 129.A OG no hydrogen 2.676 N/A MET 24.A N HIS 21.A O no hydrogen 2.869 N/A ARG 26.A N PHE 19.A O no hydrogen 2.807 N/A ARG 26.A NH1 ASP 127.A OD1 no hydrogen 2.834 N/A ARG 26.A NH2 VAL 79.A O no hydrogen 3.019 N/A ARG 26.A NH2 ASP 127.A OD1 no hydrogen 2.892 N/A PHE 28.A N ASN 16.A O no hydrogen 2.936 N/A ILE 29.A N ALA 77.A O no hydrogen 2.821 N/A VAL 30.A N GLY 14.A O no hydrogen 2.840 N/A TYR 31.A N VAL 75.A O no hydrogen 2.818 N/A ALA 33.A N THR 74.A OG1 no hydrogen 2.957 N/A LYS 34.A N ALA 69.A O no hydrogen 2.868 N/A LYS 34.A NZ ASP 70.A OD1 no hydrogen 3.396 N/A ALA 40.A N LYS 143.A O no hydrogen 2.838 N/A VAL 42.A N ARG 148.A O no hydrogen 2.879 N/A TRP 43.A N THR 74.A O no hydrogen 3.006 N/A TRP 43.A NE1 ASN 65.A OD1 no hydrogen 2.816 N/A VAL 44.A N PHE 150.A O no hydrogen 2.865 N/A MET 46.A N GLY 152.A O no hydrogen 2.828 N/A THR 47.A OG1 GLU 51.A O no hydrogen 2.660 N/A THR 47.A OG1 SER 52.A O no hydrogen 3.459 N/A SER 52.A N ASP 55.A OD2 no hydrogen 2.960 N/A THR 53.A OG1 PRO 78.A O no hydrogen 3.493 N/A ASN 54.A N PRO 87.A O no hydrogen 2.914 N/A ASN 54.A ND2 ASN 88.A OD1 no hydrogen 3.165 N/A ASP 55.A N SER 52.A OG no hydrogen 2.858 N/A ASN 56.A N SER 52.A O no hydrogen 3.012 N/A LEU 57.A N THR 53.A O no hydrogen 2.886 N/A THR 58.A N ASN 54.A O no hydrogen 2.784 N/A THR 58.A N ASP 55.A O no hydrogen 3.267 N/A THR 58.A OG1 ASN 54.A O no hydrogen 2.747 N/A THR 58.A OG1 ASN 54.A OD1 no hydrogen 3.076 N/A VAL 59.A N ASP 55.A O no hydrogen 2.922 N/A SER 62.A N VAL 59.A O no hydrogen 2.892 N/A SER 62.A OG GLU 51.A OE2 no hydrogen 2.689 N/A GLY 63.A N ALA 60.A O no hydrogen 3.098 N/A ALA 64.A N VAL 59.A O no hydrogen 3.025 N/A ASN 65.A N ASN 56.A O no hydrogen 2.880 N/A ASN 65.A ND2 ASN 56.A O no hydrogen 2.966 N/A SER 66.A N LEU 57.A O no hydrogen 2.844 N/A SER 66.A OG LEU 57.A O no hydrogen 2.732 N/A ILE 67.A N ALA 64.A O no hydrogen 3.087 N/A LEU 68.A N ASN 65.A O no hydrogen 3.154 N/A ALA 69.A N SER 66.A O no hydrogen 3.000 N/A ASP 70.A N ILE 67.A O no hydrogen 2.885 N/A HIS 71.A N LEU 68.A O no hydrogen 2.913 N/A HIS 71.A NE2 ASP 297.A OD2 no hydrogen 2.659 N/A GLY 72.A N ALA 69.A O no hydrogen 3.088 N/A TYR 73.A N LEU 68.A O no hydrogen 3.146 N/A TYR 73.A OH ASP 297.A OD1 no hydrogen 2.628 N/A THR 74.A N PRO 41.A O no hydrogen 2.906 N/A VAL 75.A N TYR 31.A O no hydrogen 2.896 N/A ILE 76.A N TRP 43.A O no hydrogen 2.937 N/A ALA 77.A N ILE 29.A O no hydrogen 2.852 N/A VAL 79.A N ALA 27.A O no hydrogen 2.960 N/A ARG 80.A NH1 SER 49.A O no hydrogen 3.111 N/A ARG 80.A NH1 ARG 90.A O no hydrogen 3.317 N/A ARG 80.A NH2 ARG 90.A O no hydrogen 2.800 N/A CYS 82.A SG ASN 105.A O no hydrogen 3.700 N/A CYS 82.A SG PRO 106.A O no hydrogen 3.961 N/A ALA 83.A N ARG 80.A O no hydrogen 2.995 N/A ASN 84.A N ALA 81.A O no hydrogen 3.007 N/A GLN 85.A NE2 ASP 18.A OD1 no hydrogen 3.038 N/A ASP 86.A N ALA 83.A O no hydrogen 3.040 N/A ASN 88.A N ASP 86.A OD1 no hydrogen 2.734 N/A ILE 89.A N ASP 86.A O no hydrogen 3.247 N/A ARG 90.A N GLU 92.A OE1 no hydrogen 2.822 N/A ARG 90.A NE ASP 55.A OD2 no hydrogen 2.904 N/A ARG 90.A NH2 ASP 55.A OD1 no hydrogen 2.874 N/A GLU 92.A N GLU 92.A OE1 no hydrogen 2.771 N/A CYS 94.A N GLY 91.A O no hydrogen 3.099 N/A CYS 94.A SG GLU 92.A O no hydrogen 3.910 N/A ASN 95.A N GLY 91.A O no hydrogen 2.952 N/A GLY 96.A N CYS 94.A O no hydrogen 3.044 N/A GLY 98.A N ASN 103.A O no hydrogen 3.008 N/A TRP 102.A N SER 99.A O no hydrogen 3.087 N/A ASN 103.A N GLY 110.A O no hydrogen 2.787 N/A TRP 104.A NE1 SER 49.A OG no hydrogen 2.888 N/A ASN 105.A N GLY 96.A O no hydrogen 2.862 N/A TRP 107.A NE1 THR 47.A O no hydrogen 2.858 N/A PHE 108.A N ASP 127.A OD2 no hydrogen 2.829 N/A ARG 111.A N ARG 212.A O no hydrogen 3.044 N/A ARG 111.A NH2 GLY 189.A O no hydrogen 2.837 N/A ALA 112.A N GLY 101.A O no hydrogen 2.782 N/A SER 116.A N ASP 114.A OD1 no hydrogen 2.861 N/A SER 116.A OG ASP 114.A OD1 no hydrogen 2.572 N/A GLY 117.A N ASP 114.A O no hydrogen 2.946 N/A GLU 118.A N PRO 115.A O no hydrogen 3.092 N/A HIS 119.A NE2 ASP 123.A OD2 no hydrogen 3.075 N/A TRP 120.A N GLY 117.A O no hydrogen 2.892 N/A TRP 120.A NE1 ASN 100.A O no hydrogen 2.947 N/A LYS 121.A N GLU 118.A O no hydrogen 2.976 N/A LYS 121.A NZ GLU 118.A OE1 no hydrogen 3.024 N/A LYS 121.A NZ GLU 118.A OE2 no hydrogen 3.463 N/A ASN 122.A ND2 TYR 216.A O no hydrogen 2.834 N/A GLY 125.A N ASP 123.A OD1 no hydrogen 2.918 N/A SER 128.A OG GLU 124.A OE1 no hydrogen 2.719 N/A SER 129.A N GLY 125.A O no hydrogen 3.365 N/A SER 129.A OG HIS 21.A NE2 no hydrogen 2.730 N/A SER 129.A OG GLY 125.A O no hydrogen 3.325 N/A PHE 130.A N PRO 126.A O no hydrogen 3.138 N/A PHE 131.A N ASP 127.A O no hydrogen 2.905 N/A ALA 133.A N SER 129.A O no hydrogen 3.123 N/A MET 134.A N PHE 130.A O no hydrogen 2.807 N/A VAL 135.A N PHE 131.A O no hydrogen 2.979 N/A GLN 136.A N VAL 132.A O no hydrogen 2.898 N/A CYS 137.A N ALA 133.A O no hydrogen 2.929 N/A VAL 138.A N MET 134.A O no hydrogen 2.970 N/A GLY 139.A N VAL 135.A O no hydrogen 3.035 N/A THR 140.A N CYS 137.A O no hydrogen 2.918 N/A THR 140.A OG1 CYS 137.A O no hydrogen 2.721 N/A LYS 141.A N VAL 138.A O no hydrogen 2.923 N/A TYR 142.A N VAL 138.A O no hydrogen 3.021 N/A ASP 145.A N ALA 40.A O no hydrogen 2.737 N/A ARG 147.A N ASP 145.A OD1 no hydrogen 2.897 N/A ARG 147.A NE LYS 304.A O no hydrogen 2.754 N/A ARG 147.A NH2 LYS 304.A O no hydrogen 2.978 N/A ARG 148.A N ASP 145.A O no hydrogen 2.895 N/A ARG 148.A NE ALA 300.A O no hydrogen 2.858 N/A ARG 148.A NH1 ASP 145.A OD2 no hydrogen 2.787 N/A PHE 150.A N VAL 42.A O no hydrogen 3.015 N/A LEU 151.A N GLY 174.A O no hydrogen 3.335 N/A GLY 152.A N VAL 44.A O no hydrogen 2.943 N/A GLY 153.A N LEU 176.A O no hydrogen 3.083 N/A ILE 154.A N MET 46.A O no hydrogen 3.272 N/A ALA 155.A N ILE 178.A O no hydrogen 2.961 N/A SER 156.A OG GLU 109.A OE2 no hydrogen 2.756 N/A GLY 157.A N ILE 154.A O no hydrogen 2.815 N/A THR 159.A N ALA 155.A O no hydrogen 2.870 N/A THR 159.A OG1 ALA 155.A O no hydrogen 3.209 N/A MET 160.A N SER 156.A O no hydrogen 2.844 N/A THR 161.A N GLY 157.A O no hydrogen 3.034 N/A THR 161.A OG1 GLY 157.A O no hydrogen 2.832 N/A ASN 162.A N GLY 158.A O no hydrogen 3.011 N/A ASN 162.A ND2 GLU 181.A O no hydrogen 3.090 N/A ARG 163.A N THR 159.A O no hydrogen 3.002 N/A ARG 163.A NE GLU 124.A O no hydrogen 2.850 N/A ARG 163.A NH1 VAL 213.A O no hydrogen 3.006 N/A ARG 163.A NH2 TRP 120.A O no hydrogen 3.030 N/A ARG 163.A NH2 ASP 123.A O no hydrogen 2.828 N/A ALA 164.A N MET 160.A O no hydrogen 2.893 N/A LEU 165.A N THR 161.A O no hydrogen 2.946 N/A LEU 166.A N ASN 162.A O no hydrogen 3.117 N/A PHE 167.A N ARG 163.A O no hydrogen 2.989 N/A ARG 168.A N ALA 164.A O no hydrogen 2.759 N/A ARG 168.A NE GLU 124.A OE1 no hydrogen 2.856 N/A ARG 168.A NE GLU 124.A OE2 no hydrogen 3.382 N/A ARG 168.A NH2 GLU 124.A OE2 no hydrogen 2.858 N/A PHE 171.A N ARG 168.A O no hydrogen 3.015 N/A TRP 172.A N ARG 168.A O no hydrogen 3.271 N/A ALA 173.A N LEU 149.A O no hydrogen 2.726 N/A GLY 175.A N ILE 226.A O no hydrogen 3.023 N/A LEU 176.A N LEU 151.A O no hydrogen 2.906 N/A ILE 178.A N GLY 153.A O no hydrogen 2.973 N/A SER 179.A N VAL 230.A O no hydrogen 2.902 N/A SER 179.A OG ASP 236.A OD1 no hydrogen 3.437 N/A SER 179.A OG ASP 236.A OD2 no hydrogen 2.576 N/A GLU 181.A N THR 159.A OG1 no hydrogen 2.834 N/A TRP 182.A N GLU 181.A OE2 no hydrogen 2.839 N/A TRP 182.A NE1 HIS 209.A O no hydrogen 2.885 N/A TYR 183.A N GLU 181.A OE2 no hydrogen 2.907 N/A TYR 183.A OH GLU 109.A OE1 no hydrogen 2.702 N/A TYR 183.A OH GLU 109.A OE2 no hydrogen 3.179 N/A THR 185.A N GLN 210.A O no hydrogen 2.987 N/A THR 185.A OG1 SER 186.A O no hydrogen 2.851 N/A SER 186.A N THR 190.A O no hydrogen 3.226 N/A GLY 189.A N SER 186.A O no hydrogen 2.893 N/A THR 190.A N ASP 188.A OD1 no hydrogen 2.984 N/A THR 190.A OG1 ASP 188.A OD1 no hydrogen 2.723 N/A THR 190.A OG1 ASP 188.A OD2 no hydrogen 3.257 N/A ASP 196.A N SER 193.A OG no hydrogen 3.060 N/A ALA 197.A N SER 193.A O no hydrogen 2.766 N/A ARG 198.A N PHE 194.A O no hydrogen 2.915 N/A ARG 198.A NE ASP 252.A OD2 no hydrogen 2.794 N/A ARG 198.A NH2 ASP 252.A OD2 no hydrogen 2.944 N/A ALA 199.A N ASP 195.A O no hydrogen 3.066 N/A ALA 200.A N ASP 196.A O no hydrogen 2.943 N/A VAL 201.A N ALA 197.A O no hydrogen 3.422 N/A ALA 202.A N ARG 198.A O no hydrogen 3.262 N/A ALA 203.A N ALA 199.A O no hydrogen 2.939 N/A ALA 204.A N ALA 200.A O no hydrogen 3.218 N/A ALA 204.A N VAL 201.A O no hydrogen 3.085 N/A LYS 207.A N ALA 204.A O no hydrogen 3.233 N/A LYS 207.A NZ ASP 187.A OD1 no hydrogen 2.706 N/A LYS 207.A NZ ASP 187.A OD2 no hydrogen 3.222 N/A HIS 209.A NE2 ALA 204.A O no hydrogen 2.856 N/A ARG 212.A N TYR 183.A O no hydrogen 2.826 N/A ARG 212.A NH1 ASN 103.A OD1 no hydrogen 2.918 N/A ARG 212.A NH1 ARG 111.A O no hydrogen 2.887 N/A VAL 213.A N TRP 182.A O no hydrogen 3.199 N/A GLY 214.A N GLY 211.A O no hydrogen 3.158 N/A TYR 216.A N LYS 121.A O no hydrogen 2.923 N/A TYR 216.A OH ASP 187.A O no hydrogen 2.696 N/A LEU 218.A N GLN 210.A OE1 no hydrogen 2.851 N/A VAL 222.A N GLN 267.A OE1 no hydrogen 2.934 N/A GLY 223.A N SER 169.A OG no hydrogen 2.806 N/A LEU 225.A N ASP 269.A O no hydrogen 3.118 N/A ILE 226.A N ALA 173.A O no hydrogen 2.996 N/A VAL 227.A N VAL 271.A O no hydrogen 2.869 N/A MET 228.A N GLY 175.A O no hydrogen 2.929 N/A THR 229.A N VAL 273.A O no hydrogen 2.948 N/A THR 229.A OG1 HIS 272.A NE2 no hydrogen 2.703 N/A VAL 230.A N PRO 177.A O no hydrogen 3.144 N/A TRP 231.A N CYS 275.A O no hydrogen 2.941 N/A GLY 232.A N ASP 236.A OD2 no hydrogen 2.774 N/A ASP 236.A N GLY 233.A O no hydrogen 2.825 N/A TRP 238.A N ALA 251.A O no hydrogen 2.900 N/A CYS 240.A N PHE 248.A O no hydrogen 2.794 N/A ARG 242.A N SER 246.A O no hydrogen 2.861 N/A ARG 242.A NH1 SER 246.A OG no hydrogen 2.984 N/A GLY 245.A N ARG 242.A O no hydrogen 2.851 N/A SER 246.A N ASP 244.A OD1 no hydrogen 2.959 N/A SER 246.A OG ASP 244.A OD1 no hydrogen 2.465 N/A SER 246.A OG ASP 244.A OD2 no hydrogen 3.555 N/A ARG 247.A NE ASN 239.A O no hydrogen 3.465 N/A ARG 247.A NE CYS 240.A O no hydrogen 3.320 N/A ARG 247.A NH2 ASN 239.A O no hydrogen 2.843 N/A PHE 248.A N CYS 240.A O no hydrogen 3.107 N/A CYS 250.A N TRP 238.A O no hydrogen 2.945 N/A CYS 250.A SG TRP 238.A O no hydrogen 3.546 N/A ALA 251.A N TRP 238.A O no hydrogen 3.279 N/A TYR 253.A N ASP 236.A O no hydrogen 3.119 N/A ARG 254.A N ASP 252.A OD1 no hydrogen 2.988 N/A ARG 254.A NH1 LEU 330.A O no hydrogen 2.823 N/A ARG 254.A NH2 GLU 234.A OE2 no hydrogen 2.924 N/A SER 256.A OG GLY 180.A O no hydrogen 2.746 N/A SER 256.A OG TYR 253.A O no hydrogen 3.396 N/A THR 257.A N TYR 253.A O no hydrogen 2.964 N/A THR 257.A OG1 TYR 253.A O no hydrogen 2.766 N/A THR 257.A OG1 ARG 254.A O no hydrogen 3.306 N/A GLN 258.A N ARG 254.A O no hydrogen 3.052 N/A GLN 258.A NE2 GLN 258.A O no hydrogen 3.655 N/A GLN 258.A NE2 ASN 262.A OD1 no hydrogen 2.920 N/A GLN 258.A NE2 PHE 327.A O no hydrogen 3.022 N/A ALA 259.A N PRO 255.A O no hydrogen 2.863 N/A GLY 260.A N SER 256.A O no hydrogen 2.994 N/A SER 261.A N THR 257.A O no hydrogen 2.897 N/A SER 261.A OG GLN 258.A O no hydrogen 2.813 N/A SER 261.A OG ASN 262.A OD1 no hydrogen 3.444 N/A ASN 262.A N GLN 258.A O no hydrogen 2.929 N/A ASN 262.A ND2 PRO 205.A O no hydrogen 2.870 N/A ASN 262.A ND2 LYS 207.A O no hydrogen 2.968 N/A PHE 263.A N ALA 259.A O no hydrogen 3.117 N/A PHE 264.A N GLY 260.A O no hydrogen 2.992 N/A SER 265.A N SER 261.A O no hydrogen 2.901 N/A SER 265.A OG SER 261.A O no hydrogen 2.738 N/A ALA 266.A N ASN 262.A O no hydrogen 3.218 N/A GLN 267.A N PHE 264.A O no hydrogen 3.217 N/A GLN 267.A NE2 ALA 220.A O no hydrogen 3.077 N/A VAL 270.A N GLN 267.A O no hydrogen 3.320 N/A VAL 271.A N LEU 225.A O no hydrogen 2.999 N/A HIS 272.A ND1 GLY 325.A O no hydrogen 2.855 N/A HIS 272.A NE2 THR 229.A OG1 no hydrogen 2.703 N/A VAL 273.A N VAL 227.A O no hydrogen 2.842 N/A ALA 274.A N HIS 323.A O no hydrogen 2.819 N/A CYS 275.A N THR 229.A O no hydrogen 2.942 N/A SER 276.A N THR 321.A O no hydrogen 2.804 N/A SER 277.A N TRP 231.A O no hydrogen 2.867 N/A SER 277.A OG GLY 319.A O no hydrogen 2.657 N/A THR 278.A N SER 277.A OG no hydrogen 2.774 N/A GLY 280.A N GLY 232.A O no hydrogen 2.895 N/A HIS 281.A ND1 ASP 236.A OD1 no hydrogen 2.671 N/A TRP 283.A NE1 ASN 292.A OD1 no hydrogen 2.990 N/A ASN 287.A ND2 GLU 318.A O no hydrogen 2.918 N/A THR 288.A OG1 PRO 284.A O no hydrogen 2.741 N/A GLN 289.A NE2 GLY 63.A O no hydrogen 2.997 N/A GLN 289.A NE2 ALA 64.A O no hydrogen 3.601 N/A PHE 291.A N ASN 287.A O no hydrogen 2.804 N/A ASN 292.A N THR 288.A O no hydrogen 2.953 N/A ASN 292.A ND2 GLY 63.A O no hydrogen 2.860 N/A ARG 293.A N GLN 289.A O no hydrogen 2.944 N/A TRP 294.A N GLU 290.A O no hydrogen 2.917 N/A TRP 294.A NE1 THR 314.A OG1 no hydrogen 3.054 N/A ALA 295.A N PHE 291.A O no hydrogen 2.730 N/A LEU 296.A N ASN 292.A O no hydrogen 2.974 N/A ASP 297.A N ARG 293.A O no hydrogen 2.939 N/A THR 298.A N TRP 294.A O no hydrogen 2.865 N/A THR 298.A OG1 TRP 294.A O no hydrogen 2.693 N/A LEU 299.A N ALA 295.A O no hydrogen 2.934 N/A ALA 300.A N LEU 296.A O no hydrogen 2.843 N/A SER 301.A N ASP 297.A O no hydrogen 3.012 N/A SER 301.A N THR 298.A O no hydrogen 3.151 N/A SER 301.A OG THR 298.A O no hydrogen 2.636 N/A HIS 302.A N LEU 299.A O no hydrogen 2.978 N/A LYS 304.A N ARG 147.A O no hydrogen 2.816 N/A LYS 304.A NZ SER 169.A O no hydrogen 2.665 N/A LYS 304.A NZ TRP 172.A O no hydrogen 2.745 N/A LYS 304.A NZ PRO 224.A O no hydrogen 2.689 N/A SER 306.A N PRO 303.A O no hydrogen 2.965 N/A SER 306.A OG PRO 303.A O no hydrogen 2.885 N/A ARG 309.A N ASP 307.A OD1 no hydrogen 2.863 N/A SER 310.A N ASP 307.A O no hydrogen 2.868 N/A SER 310.A OG ASP 307.A O no hydrogen 2.638 N/A PHE 311.A N PRO 308.A O no hydrogen 3.220 N/A TYR 320.A N PRO 317.A O no hydrogen 3.300 N/A TYR 320.A OH LEU 286.A O no hydrogen 2.623 N/A THR 321.A N SER 276.A O no hydrogen 2.971 N/A HIS 323.A N ALA 274.A O no hydrogen 3.123 N/A HIS 323.A NE2 PRO 326.A O no hydrogen 2.646 N/A GLY 325.A N HIS 272.A O no hydrogen 2.809 N/A PHE 327.A N SER 261.A OG no hydrogen 2.985 N/A SER 333.A OG SER 336.A OG no hydrogen 3.394 N/A SER 336.A N SER 333.A O no hydrogen 3.152 N/A SER 336.A OG SER 333.A O no hydrogen 2.394 N/A SER 336.A OG SER 333.A OG no hydrogen 3.394 N/A