Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1wra_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 2.A ND2 ASP 154.A OD2 no hydrogen 3.153 N/A LYS 3.A N GLU 20.A O no hydrogen 2.944 N/A ILE 4.A N PHE 286.A O no hydrogen 2.988 N/A HIS 5.A N ILE 18.A O no hydrogen 2.844 N/A HIS 5.A NE2 GLU 20.A OE2 no hydrogen 2.931 N/A PHE 6.A N THR 284.A O no hydrogen 2.780 N/A ILE 7.A N ALA 16.A O no hydrogen 2.904 N/A ASN 8.A N ASP 282.A O no hydrogen 2.929 N/A ASN 8.A ND2 TYR 281.A O no hydrogen 2.901 N/A VAL 9.A N ALA 276.A O no hydrogen 3.063 N/A GLN 10.A NE2 TYR 54.A O no hydrogen 3.352 N/A GLN 10.A NE2 VAL 57.A O no hydrogen 3.176 N/A GLY 12.A N ASP 250.A OD1 no hydrogen 3.238 N/A GLY 12.A N ASP 250.A OD2 no hydrogen 3.356 N/A SER 14.A OG ASP 85.A O no hydrogen 2.846 N/A ASP 15.A N ASP 85.A O no hydrogen 3.077 N/A ILE 18.A N HIS 5.A O no hydrogen 2.892 N/A LEU 19.A N ALA 26.A O no hydrogen 2.894 N/A GLU 20.A N LYS 3.A O no hydrogen 2.933 N/A SER 21.A N HIS 24.A O no hydrogen 2.951 N/A SER 21.A OG ASN 2.A OD1 no hydrogen 2.585 N/A HIS 24.A N SER 21.A O no hydrogen 2.838 N/A HIS 24.A ND1 ASP 75.A OD2 no hydrogen 2.603 N/A ALA 26.A N LEU 19.A O no hydrogen 2.931 N/A MET 27.A N PHE 76.A O no hydrogen 3.089 N/A VAL 28.A N ILE 17.A O no hydrogen 2.865 N/A ASP 29.A N LEU 78.A O no hydrogen 2.814 N/A THR 30.A N HIS 86.A O no hydrogen 2.850 N/A THR 30.A OG1 HIS 86.A O no hydrogen 2.916 N/A GLU 32.A N SER 14.A OG no hydrogen 3.080 N/A ASP 33.A N GLU 32.A OE2 no hydrogen 3.103 N/A TYR 34.A OH ASP 60.A OD2 no hydrogen 2.509 N/A SER 40.A N ASP 38.A OD1 no hydrogen 2.963 N/A SER 40.A OG ASP 38.A OD1 no hydrogen 2.871 N/A ARG 43.A N ASP 41.A OD1 no hydrogen 3.053 N/A TYR 44.A N ASP 41.A O no hydrogen 2.804 N/A TYR 44.A OH ASP 126.A OD2 no hydrogen 2.597 N/A ARG 47.A NH1 TRP 119.A O no hydrogen 2.939 N/A ILE 50.A N ARG 47.A O no hydrogen 3.243 N/A THR 52.A N GLU 51.A OE1 no hydrogen 3.039 N/A SER 53.A N GLU 51.A OE1 no hydrogen 2.871 N/A LYS 55.A N SER 53.A OG no hydrogen 3.262 N/A HIS 56.A N SER 53.A O no hydrogen 2.921 N/A HIS 56.A ND1 GLU 51.A OE2 no hydrogen 2.757 N/A VAL 57.A N TYR 54.A O no hydrogen 3.206 N/A LEU 58.A N GLU 32.A O no hydrogen 2.840 N/A THR 59.A OG1 GLU 32.A O no hydrogen 3.503 N/A THR 59.A OG1 ASN 89.A OD1 no hydrogen 2.586 N/A ARG 61.A NH1 ASN 8.A O no hydrogen 2.920 N/A ARG 61.A NH1 SER 278.A O no hydrogen 2.861 N/A ARG 61.A NH2 SER 278.A O no hydrogen 2.949 N/A VAL 62.A N LEU 58.A O no hydrogen 2.980 N/A PHE 63.A N THR 59.A O no hydrogen 3.092 N/A ARG 64.A N ASP 60.A O no hydrogen 2.925 N/A ARG 64.A NH1 ASP 282.A OD1 no hydrogen 2.688 N/A ARG 64.A NH1 ASP 282.A OD2 no hydrogen 3.355 N/A ARG 65.A N ARG 61.A O no hydrogen 2.960 N/A ARG 65.A NE HIS 5.A ND1 no hydrogen 3.405 N/A ARG 65.A NH2 HIS 5.A ND1 no hydrogen 3.560 N/A LEU 66.A N VAL 62.A O no hydrogen 3.051 N/A LYS 67.A N PHE 63.A O no hydrogen 3.093 N/A GLU 68.A N ARG 64.A O no hydrogen 2.879 N/A LEU 69.A N ARG 65.A O no hydrogen 3.046 N/A SER 70.A N LYS 67.A O no hydrogen 3.006 N/A VAL 71.A N LEU 66.A O no hydrogen 3.112 N/A GLN 72.A NE2 SER 70.A O no hydrogen 3.016 N/A LYS 73.A NZ ASP 100.A OD1 no hydrogen 2.368 N/A LYS 73.A NZ ASP 100.A OD2 no hydrogen 2.887 N/A LEU 74.A N PRO 98.A O no hydrogen 2.957 N/A ASP 75.A N PHE 25.A O no hydrogen 2.950 N/A ILE 77.A N ARG 101.A O no hydrogen 3.125 N/A LEU 78.A N MET 27.A O no hydrogen 2.827 N/A VAL 79.A N TYR 103.A O no hydrogen 2.971 N/A THR 80.A N ASP 29.A OD1 no hydrogen 2.847 N/A THR 80.A OG1 ASP 29.A OD1 no hydrogen 3.266 N/A THR 80.A OG1 ASP 29.A OD2 no hydrogen 2.536 N/A THR 80.A OG1 HIS 81.A ND1 no hydrogen 2.920 N/A HIS 81.A ND1 THR 80.A OG1 no hydrogen 2.920 N/A THR 82.A N ASP 178.A OD2 no hydrogen 2.913 N/A THR 82.A OG1 ASP 178.A OD2 no hydrogen 2.778 N/A SER 84.A OG GLU 32.A OE1 no hydrogen 2.727 N/A SER 84.A OG GLU 32.A OE2 no hydrogen 3.447 N/A HIS 86.A N HIS 83.A O no hydrogen 2.864 N/A HIS 86.A ND1 ASP 29.A OD2 no hydrogen 2.965 N/A HIS 86.A NE2 ASP 199.A OD2 no hydrogen 3.078 N/A ILE 87.A N HIS 83.A O no hydrogen 3.035 N/A ASN 89.A N THR 30.A OG1 no hydrogen 3.035 N/A ASN 89.A N GLY 31.A O no hydrogen 3.201 N/A ASN 89.A ND2 THR 30.A O no hydrogen 2.867 N/A ASN 89.A ND2 GLU 32.A O no hydrogen 3.032 N/A VAL 90.A N ILE 87.A O no hydrogen 3.090 N/A GLU 92.A N GLU 92.A OE1 no hydrogen 2.908 N/A LEU 93.A N ASN 89.A O no hydrogen 2.947 N/A LEU 94.A N VAL 90.A O no hydrogen 2.850 N/A SER 95.A N ASP 91.A O no hydrogen 3.130 N/A SER 95.A OG ASP 91.A O no hydrogen 2.777 N/A THR 96.A N LEU 93.A O no hydrogen 3.058 N/A THR 96.A OG1 GLU 92.A O no hydrogen 2.751 N/A TYR 97.A N LEU 93.A O no hydrogen 2.904 N/A ASP 100.A N LEU 74.A O no hydrogen 3.161 N/A ARG 101.A N ASP 75.A O no hydrogen 3.377 N/A ARG 101.A NH1 TYR 103.A OH no hydrogen 2.895 N/A VAL 102.A N SER 138.A O no hydrogen 2.918 N/A TYR 103.A N ILE 77.A O no hydrogen 2.988 N/A LEU 104.A N ILE 140.A O no hydrogen 3.098 N/A LYS 105.A NZ ASN 161.A O no hydrogen 2.696 N/A LYS 105.A NZ GLU 163.A O no hydrogen 3.488 N/A LYS 105.A NZ ASN 181.A O no hydrogen 3.234 N/A LYS 105.A NZ ASN 181.A OD1 no hydrogen 3.015 N/A LYS 106.A N ASN 164.A OD1 no hydrogen 2.941 N/A TYR 107.A N TYR 125.A OH no hydrogen 3.237 N/A TYR 107.A OH ASP 109.A OD1 no hydrogen 2.632 N/A SER 108.A OG SER 110.A OG no hydrogen 2.968 N/A SER 110.A OG SER 108.A OG no hydrogen 2.968 N/A ARG 111.A N SER 108.A O no hydrogen 3.106 N/A ARG 111.A NE LYS 173.A O no hydrogen 2.758 N/A ARG 111.A NH2 LYS 173.A O no hydrogen 2.965 N/A ILE 112.A N ASP 109.A O no hydrogen 3.109 N/A THR 113.A N ILE 175.A O no hydrogen 3.028 N/A THR 113.A OG1 ILE 175.A O no hydrogen 3.471 N/A ASN 114.A ND2 TRP 176.A O no hydrogen 2.853 N/A ARG 117.A N ASN 114.A O no hydrogen 2.961 N/A ARG 117.A NH1 ASP 177.A OD2 no hydrogen 3.253 N/A ASN 121.A N LEU 118.A O no hydrogen 2.905 N/A ASN 121.A ND2 TYR 107.A OH no hydrogen 3.054 N/A ASN 121.A ND2 ARG 117.A O no hydrogen 3.087 N/A TYR 123.A OH ASP 35.A OD2 no hydrogen 2.710 N/A GLY 124.A N ASP 120.A O no hydrogen 3.180 N/A TYR 125.A N ASN 121.A O no hydrogen 3.029 N/A ASP 126.A N TYR 123.A O no hydrogen 3.306 N/A LYS 127.A N TYR 123.A O no hydrogen 2.951 N/A VAL 128.A N GLY 124.A O no hydrogen 3.200 N/A LEU 129.A N TYR 125.A O no hydrogen 3.152 N/A GLN 130.A N ASP 126.A O no hydrogen 2.861 N/A GLN 130.A NE2 ASP 126.A O no hydrogen 3.664 N/A THR 131.A N LYS 127.A O no hydrogen 3.093 N/A THR 131.A OG1 LYS 127.A O no hydrogen 2.614 N/A ALA 132.A N VAL 128.A O no hydrogen 2.919 N/A THR 133.A N LEU 129.A O no hydrogen 3.091 N/A THR 133.A OG1 LEU 129.A O no hydrogen 3.107 N/A GLU 134.A N GLN 130.A O no hydrogen 3.077 N/A THR 135.A N THR 131.A O no hydrogen 3.081 N/A THR 135.A N ALA 132.A O no hydrogen 3.306 N/A THR 135.A OG1 THR 131.A O no hydrogen 2.883 N/A THR 135.A OG1 ALA 132.A O no hydrogen 3.270 N/A GLY 136.A N THR 133.A O no hydrogen 3.354 N/A VAL 137.A N ALA 132.A O no hydrogen 2.903 N/A ILE 140.A N VAL 102.A O no hydrogen 2.782 N/A GLN 141.A NE2 LEU 104.A O no hydrogen 2.996 N/A GLN 141.A NE2 LYS 105.A O no hydrogen 3.440 N/A GLN 141.A NE2 TYR 125.A OH no hydrogen 2.986 N/A THR 144.A N ASP 147.A OD2 no hydrogen 3.280 N/A GLN 145.A NE2 GLN 145.A O no hydrogen 3.085 N/A ALA 148.A N THR 144.A O no hydrogen 3.035 N/A HIS 149.A NE2 ASP 156.A OD2 no hydrogen 3.129 N/A PHE 150.A N ILE 157.A O no hydrogen 2.962 N/A GLN 151.A NE2 ASP 156.A OD1 no hydrogen 2.663 N/A PHE 152.A N MET 155.A O no hydrogen 2.741 N/A ASP 154.A N SER 21.A OG no hydrogen 2.742 N/A MET 155.A N PHE 152.A O no hydrogen 2.757 N/A ASP 156.A N LYS 188.A O no hydrogen 2.871 N/A ILE 157.A N PHE 150.A O no hydrogen 2.811 N/A GLN 158.A N VAL 186.A O no hydrogen 2.978 N/A GLN 158.A NE2 LEU 159.A O no hydrogen 3.073 N/A LEU 159.A N ALA 148.A O no hydrogen 2.730 N/A TYR 160.A N ILE 184.A O no hydrogen 3.023 N/A ASN 161.A ND2 SER 180.A O no hydrogen 3.347 N/A ASN 161.A ND2 SER 182.A O no hydrogen 2.908 N/A ASN 164.A ND2 GLN 141.A O no hydrogen 2.819 N/A ASN 164.A ND2 ASN 142.A OD1 no hydrogen 2.955 N/A ASP 167.A N GLU 171.A O no hydrogen 2.869 N/A SER 168.A OG SER 168.A O no hydrogen 2.362 N/A GLY 170.A N ASP 167.A OD1 no hydrogen 2.445 N/A LYS 173.A N GLU 165.A O no hydrogen 2.907 N/A ILE 175.A N ARG 111.A O no hydrogen 2.881 N/A TRP 176.A N HIS 204.A NE2 no hydrogen 2.977 N/A TRP 176.A NE1 ASP 201.A OD2 no hydrogen 2.962 N/A ASN 179.A N ASP 177.A OD1 no hydrogen 2.896 N/A SER 180.A N ASP 177.A O no hydrogen 3.210 N/A SER 180.A OG ASP 201.A OD1 no hydrogen 2.680 N/A SER 180.A OG ASP 201.A OD2 no hydrogen 3.270 N/A ASN 181.A N ASP 178.A O no hydrogen 2.929 N/A SER 182.A N ASN 179.A O no hydrogen 3.055 N/A SER 182.A OG ASN 179.A O no hydrogen 2.785 N/A LEU 183.A N THR 80.A O no hydrogen 2.894 N/A ILE 184.A N TYR 160.A O no hydrogen 3.097 N/A SER 185.A N LEU 196.A O no hydrogen 2.811 N/A VAL 186.A N GLN 158.A O no hydrogen 2.884 N/A VAL 187.A N ILE 194.A O no hydrogen 2.858 N/A LYS 188.A N ASP 156.A O no hydrogen 2.844 N/A VAL 189.A N LYS 192.A O no hydrogen 3.059 N/A ASN 190.A ND2 ILE 288.A O no hydrogen 2.775 N/A LYS 192.A N VAL 189.A O no hydrogen 3.055 N/A LYS 193.A N ASP 218.A OD2 no hydrogen 2.994 N/A ILE 194.A N VAL 187.A O no hydrogen 2.906 N/A TYR 195.A N LEU 219.A O no hydrogen 2.950 N/A TYR 195.A OH ASN 223.A OD1 no hydrogen 2.730 N/A LEU 196.A N SER 185.A O no hydrogen 2.884 N/A ASP 199.A N SER 182.A OG no hydrogen 3.039 N/A LEU 200.A N GLY 197.A O no hydrogen 3.003 N/A ASN 202.A N LYS 230.A O no hydrogen 2.863 N/A ASN 202.A ND2 ASP 208.A OD2 no hydrogen 2.942 N/A VAL 203.A N ASP 201.A OD1 no hydrogen 3.081 N/A GLY 205.A N ASN 202.A O no hydrogen 2.913 N/A ASP 208.A N ASN 202.A OD1 no hydrogen 2.997 N/A LYS 209.A N GLY 205.A O no hydrogen 2.953 N/A LYS 209.A NZ TYR 210.A OH no hydrogen 3.502 N/A TYR 210.A N ALA 206.A O no hydrogen 2.809 N/A TYR 210.A OH ASN 161.A OD1 no hydrogen 3.396 N/A GLY 211.A N GLU 207.A O no hydrogen 2.963 N/A ILE 214.A N TYR 210.A O no hydrogen 2.823 N/A GLY 215.A N GLY 211.A O no hydrogen 2.967 N/A LYS 216.A NZ VAL 217.A O no hydrogen 2.898 N/A LYS 216.A NZ SER 241.A O no hydrogen 2.743 N/A VAL 217.A N LEU 240.A O no hydrogen 2.879 N/A ASP 218.A N LYS 193.A O no hydrogen 2.947 N/A LEU 219.A N LYS 193.A O no hydrogen 3.201 N/A MET 220.A N LEU 244.A O no hydrogen 2.887 N/A LYS 221.A N TYR 195.A O no hydrogen 3.024 N/A LYS 221.A NZ ASP 15.A OD2 no hydrogen 2.933 N/A LYS 221.A NZ GLY 198.A O no hydrogen 2.794 N/A LYS 221.A NZ PHE 222.A O no hydrogen 3.121 N/A PHE 222.A N VAL 246.A O no hydrogen 2.911 N/A ASN 223.A N ASN 232.A OD1 no hydrogen 2.885 N/A ASN 223.A ND2 GLU 207.A OE2 no hydrogen 2.768 N/A HIS 224.A N GLY 198.A O no hydrogen 3.305 N/A HIS 225.A ND1 THR 248.A O no hydrogen 2.860 N/A HIS 225.A NE2 ASP 85.A OD2 no hydrogen 3.035 N/A HIS 226.A N HIS 224.A O no hydrogen 2.747 N/A HIS 226.A ND1 SER 249.A OG no hydrogen 3.083 N/A ASP 227.A N HIS 224.A O no hydrogen 3.236 N/A THR 228.A N TRP 254.A O no hydrogen 3.167 N/A THR 228.A OG1 TRP 254.A O no hydrogen 3.319 N/A THR 228.A OG1 ASP 259.A OD2 no hydrogen 2.648 N/A ASN 229.A N ASP 227.A OD2 no hydrogen 3.008 N/A LYS 230.A N ASP 227.A OD1 no hydrogen 2.971 N/A SER 231.A OG LEU 200.A O no hydrogen 2.697 N/A ASN 232.A N GLU 207.A OE2 no hydrogen 2.848 N/A ASN 232.A ND2 ASN 223.A O no hydrogen 2.770 N/A ASN 232.A ND2 ASP 227.A O no hydrogen 2.873 N/A THR 233.A N GLU 207.A OE1 no hydrogen 2.992 N/A ILE 237.A N THR 233.A O no hydrogen 3.038 N/A LYS 238.A N LYS 234.A O no hydrogen 2.982 N/A ASN 239.A N ASP 235.A O no hydrogen 2.958 N/A LEU 240.A N PHE 236.A O no hydrogen 3.099 N/A SER 241.A N ILE 237.A O no hydrogen 2.598 N/A SER 243.A N ASP 218.A O no hydrogen 2.814 N/A SER 243.A OG ASP 218.A O no hydrogen 3.156 N/A LEU 244.A N ASP 218.A O no hydrogen 3.151 N/A ILE 245.A N GLU 272.A O no hydrogen 2.752 N/A VAL 246.A N MET 220.A O no hydrogen 2.960 N/A GLN 247.A N ILE 274.A O no hydrogen 2.855 N/A GLN 247.A NE2 HIS 225.A O no hydrogen 2.996 N/A GLN 247.A NE2 SER 251.A O no hydrogen 2.823 N/A THR 248.A OG1 ASP 15.A OD1 no hydrogen 2.612 N/A THR 248.A OG1 HIS 225.A ND1 no hydrogen 3.395 N/A SER 249.A OG HIS 226.A ND1 no hydrogen 3.083 N/A ASP 250.A N GLY 12.A O no hydrogen 3.275 N/A SER 251.A N SER 249.A OG no hydrogen 2.926 N/A SER 251.A OG LEU 252.A O no hydrogen 2.733 N/A TRP 254.A N HIS 226.A O no hydrogen 2.878 N/A LYS 255.A N GLY 257.A O no hydrogen 2.882 N/A ASP 259.A N PRO 253.A O no hydrogen 2.837 N/A TYR 262.A N ASP 259.A OD1 no hydrogen 3.159 N/A TYR 262.A OH ASN 232.A O no hydrogen 2.550 N/A VAL 263.A N ASP 259.A O no hydrogen 3.044 N/A ASN 264.A N SER 260.A O no hydrogen 2.816 N/A ASN 264.A ND2 GLU 268.A OE2 no hydrogen 2.726 N/A TRP 265.A N GLU 261.A O no hydrogen 2.963 N/A LEU 266.A N TYR 262.A O no hydrogen 3.054 N/A LYS 267.A N VAL 263.A O no hydrogen 3.242 N/A GLU 268.A N ASN 264.A O no hydrogen 2.905 N/A ARG 269.A N TRP 265.A O no hydrogen 3.128 N/A ARG 269.A N LEU 266.A O no hydrogen 3.125 N/A GLY 270.A N LYS 267.A O no hydrogen 2.935 N/A ILE 271.A N LEU 266.A O no hydrogen 2.988 N/A GLU 272.A N SER 243.A O no hydrogen 3.020 N/A ARG 273.A NH1 GLN 247.A OE1 no hydrogen 2.845 N/A ARG 273.A NH1 ASN 275.A OD1 no hydrogen 2.874 N/A ILE 274.A N ILE 245.A O no hydrogen 2.909 N/A ASN 275.A ND2 SER 249.A O no hydrogen 3.053 N/A ASN 275.A ND2 SER 251.A O no hydrogen 2.880 N/A ALA 276.A N GLN 247.A O no hydrogen 2.795 N/A SER 278.A N VAL 9.A O no hydrogen 2.993 N/A ASP 280.A N SER 278.A OG no hydrogen 2.952 N/A TYR 281.A N SER 278.A OG no hydrogen 3.047 N/A THR 284.A N PHE 6.A O no hydrogen 2.871 N/A THR 284.A OG1 ASN 8.A OD1 no hydrogen 2.711 N/A VAL 285.A N SER 297.A OG no hydrogen 2.990 N/A PHE 286.A N ILE 4.A O no hydrogen 3.011 N/A ASP 287.A N VAL 294.A O no hydrogen 2.878 N/A ILE 288.A N ASN 2.A O no hydrogen 2.836 N/A ARG 289.A N GLY 292.A O no hydrogen 3.150 N/A LYS 290.A NZ ASN 190.A OD1 no hydrogen 3.484 N/A GLY 292.A N ARG 289.A O no hydrogen 3.053 N/A VAL 294.A N ASP 287.A O no hydrogen 3.035 N/A ILE 296.A N VAL 285.A O no hydrogen 2.866 N/A SER 297.A N ASN 295.A OD1 no hydrogen 3.031 N/A SER 297.A OG ASN 295.A OD1 no hydrogen 2.755 N/A SER 299.A N ILE 296.A O no hydrogen 3.050 N/A SER 299.A OG ILE 296.A O no hydrogen 3.527 N/A TYR 300.A N SER 297.A O no hydrogen 3.441 N/A LYS 301.A N GLU 68.A OE1 no hydrogen 3.064 N/A ILE 303.A N ASP 280.A O no hydrogen 2.919 N/A