Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xne_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N GLN 7.A O no hydrogen 2.857 N/A PHE 9.A N GLU 2.A O no hydrogen 3.111 N/A ASP 10.A N TYR 92.A OH no hydrogen 3.366 N/A ARG 14.A NH1 ASP 34.A OD1 no hydrogen 3.121 N/A TYR 15.A OH ASP 78.A OD2 no hydrogen 2.658 N/A THR 16.A N TYR 33.A O no hydrogen 2.986 N/A SER 19.A N SER 31.A O no hydrogen 3.048 N/A SER 19.A OG.B ASN 17.A O no hydrogen 3.411 N/A SER 19.A OG.B SER 31.A OG no hydrogen 3.261 N/A TYR 20.A OH GLU 23.A OE1 no hydrogen 2.273 N/A ILE 21.A N VAL 29.A O no hydrogen 2.930 N/A GLY 22.A N VAL 29.A O no hydrogen 3.278 N/A GLY 24.A N GLY 27.A O no hydrogen 3.238 N/A TYR 26.A OH GLU 61.A OE1 no hydrogen 2.427 N/A VAL 29.A N GLY 22.A O no hydrogen 2.792 N/A CYS 30.A N ILE 43.A O no hydrogen 2.956 N/A SER 31.A N SER 19.A O no hydrogen 2.906 N/A SER 31.A OG SER 19.A OG.B no hydrogen 3.261 N/A ALA 32.A N VAL 41.A O no hydrogen 2.998 N/A TYR 33.A N THR 16.A O no hydrogen 2.675 N/A ASP 34.A N VAL 39.A O no hydrogen 2.682 N/A ASN 35.A N ARG 14.A O no hydrogen 2.783 N/A ASN 35.A ND2 ARG 14.A O no hydrogen 2.893 N/A ASN 35.A ND2 THR 16.A OG1 no hydrogen 2.923 N/A LEU 36.A N ASP 34.A OD1 no hydrogen 2.900 N/A ASN 37.A N ASP 34.A OD1 no hydrogen 3.439 N/A LYS 38.A NZ ASN 35.A O no hydrogen 2.876 N/A ARG 40.A NH1 ASN 17.A O no hydrogen 2.981 N/A ARG 40.A NH2 ASN 17.A O no hydrogen 2.943 N/A ARG 40.A NH2 SER 31.A OG no hydrogen 2.498 N/A VAL 41.A N ALA 32.A O no hydrogen 2.739 N/A ALA 42.A N GLN 95.A O no hydrogen 2.828 N/A ILE 43.A N CYS 30.A O no hydrogen 2.705 N/A LYS 44.A N ILE 93.A O no hydrogen 2.834 N/A LYS 44.A NZ GLN 95.A OE1 no hydrogen 2.861 N/A LYS 45.A N MET 28.A O no hydrogen 3.025 N/A LYS 45.A NZ GLN 7.A OE1 no hydrogen 2.923 N/A LYS 45.A NZ VAL 8.A O no hydrogen 2.670 N/A ILE 46.A N VAL 91.A O no hydrogen 2.895 N/A SER 47.A OG ASP 90.A OD1 no hydrogen 2.592 N/A HIS 51.A N PRO 48.A O no hydrogen 3.194 N/A GLN 52.A NE2 LEU 326.A O no hydrogen 2.479 N/A TYR 54.A OH TYR 26.A O no hydrogen 2.986 N/A CYS 55.A N HIS 51.A O no hydrogen 3.146 N/A CYS 55.A SG PRO 48.A O no hydrogen 2.932 N/A CYS 55.A SG HIS 51.A O no hydrogen 3.297 N/A GLN 56.A N GLN 52.A O no hydrogen 3.199 N/A ARG 57.A N THR 53.A O no hydrogen 3.135 N/A ARG 57.A NH1.A ASP 156.A OD1 no hydrogen 3.311 N/A THR 58.A N TYR 54.A O no hydrogen 2.883 N/A THR 58.A OG1 TYR 54.A O no hydrogen 2.665 N/A LEU 59.A N CYS 55.A O no hydrogen 2.989 N/A ARG 60.A N GLN 56.A O no hydrogen 3.043 N/A GLU 61.A N ARG 57.A O no hydrogen 3.053 N/A ILE 62.A N THR 58.A O no hydrogen 2.978 N/A LYS 63.A N LEU 59.A O no hydrogen 2.869 N/A LYS 63.A NZ GLU 338.A OE2 no hydrogen 2.851 N/A ILE 64.A N ARG 60.A O no hydrogen 3.045 N/A LEU 65.A N GLU 61.A O no hydrogen 2.954 N/A LEU 66.A N ILE 62.A O no hydrogen 3.023 N/A ARG 67.A N LYS 63.A O no hydrogen 3.331 N/A ARG 67.A N ILE 64.A O no hydrogen 3.069 N/A PHE 68.A N ILE 64.A O no hydrogen 3.018 N/A ARG 69.A N TYR 129.A OH no hydrogen 3.154 N/A ASN 72.A ND2 GLN 122.A OE1 no hydrogen 3.272 N/A ASN 72.A ND2 LEU 152.A O no hydrogen 3.017 N/A ILE 73.A N HIS 70.A O no hydrogen 3.170 N/A ILE 74.A N ILE 154.A O no hydrogen 3.007 N/A ASN 77.A N VAL 94.A O no hydrogen 2.846 N/A ILE 80.A N TYR 92.A O no hydrogen 2.834 N/A ARG 81.A NE THR 339.A OG1 no hydrogen 2.865 N/A ARG 81.A NH1 PHE 336.A O no hydrogen 2.956 N/A ARG 81.A NH2 ALA 82.A O no hydrogen 2.842 N/A THR 84.A OG1 GLN 87.A OE1 no hydrogen 2.757 N/A GLU 86.A N GLU 86.A OE1 no hydrogen 2.852 N/A GLN 87.A N THR 84.A O no hydrogen 3.157 N/A GLN 87.A N THR 84.A OG1 no hydrogen 3.216 N/A MET 88.A N ILE 85.A O no hydrogen 3.244 N/A VAL 91.A N ILE 46.A O no hydrogen 2.922 N/A TYR 92.A N ILE 80.A O no hydrogen 2.824 N/A TYR 92.A OH VAL 8.A O no hydrogen 3.366 N/A TYR 92.A OH ASP 10.A OD1 no hydrogen 3.145 N/A ILE 93.A N LYS 44.A O no hydrogen 2.912 N/A VAL 94.A N ASP 78.A O no hydrogen 2.936 N/A GLN 95.A N ALA 42.A O no hydrogen 2.916 N/A THR 100.A N LEU 147.A O no hydrogen 3.022 N/A THR 100.A OG1 ASP 101.A O no hydrogen 3.461 N/A LEU 102.A N LEU 145.A O no hydrogen 2.920 N/A LYS 104.A N ASP 101.A OD1 no hydrogen 2.816 N/A LEU 105.A N ASP 101.A O no hydrogen 3.043 N/A LEU 106.A N LEU 102.A O no hydrogen 2.938 N/A LYS 107.A N TYR 103.A O no hydrogen 3.233 N/A THR 108.A N LEU 105.A O no hydrogen 3.247 N/A THR 108.A OG1 LYS 104.A O no hydrogen 3.019 N/A THR 108.A OG1 LEU 105.A O no hydrogen 3.403 N/A GLN 109.A N LEU 105.A O no hydrogen 2.782 N/A SER 112.A OG HIS 115.A ND1 no hydrogen 2.683 N/A HIS 115.A N SER 112.A OG no hydrogen 2.996 N/A HIS 115.A ND1 SER 112.A OG no hydrogen 2.683 N/A ILE 116.A N SER 112.A O no hydrogen 3.058 N/A CYS 117.A N ASN 113.A O no hydrogen 2.999 N/A CYS 117.A SG TYR 300.A O no hydrogen 3.396 N/A TYR 118.A N ASP 114.A O no hydrogen 3.114 N/A PHE 119.A N HIS 115.A O no hydrogen 2.853 N/A LEU 120.A N ILE 116.A O no hydrogen 2.927 N/A TYR 121.A N CYS 117.A O no hydrogen 2.906 N/A TYR 121.A OH GLU 310.A OE2 no hydrogen 2.631 N/A GLN 122.A N TYR 118.A O no hydrogen 3.094 N/A GLN 122.A NE2 TYR 118.A O no hydrogen 3.510 N/A ILE 123.A N PHE 119.A O no hydrogen 3.047 N/A LEU 124.A N LEU 120.A O no hydrogen 3.040 N/A ARG 125.A N TYR 121.A O no hydrogen 2.849 N/A ARG 125.A NE ASP 309.A O no hydrogen 2.911 N/A ARG 125.A NH1 GLU 71.A OE1 no hydrogen 2.976 N/A ARG 125.A NH1 ASN 72.A OD1 no hydrogen 2.858 N/A ARG 125.A NH2 GLU 71.A OE1 no hydrogen 3.445 N/A ARG 125.A NH2 GLU 71.A OE2 no hydrogen 3.493 N/A ARG 125.A NH2 ASP 309.A O no hydrogen 2.983 N/A ARG 125.A NH2 ASP 309.A OD1 no hydrogen 3.518 N/A GLY 126.A N GLN 122.A O no hydrogen 3.011 N/A LEU 127.A N ILE 123.A O no hydrogen 2.791 N/A LYS 128.A N LEU 124.A O no hydrogen 2.760 N/A LYS 128.A NZ GLU 310.A O no hydrogen 2.883 N/A TYR 129.A N ARG 125.A O no hydrogen 3.481 N/A ILE 130.A N GLY 126.A O no hydrogen 3.075 N/A HIS 131.A N LEU 127.A O no hydrogen 2.919 N/A HIS 131.A NE2 ASP 199.A OD2 no hydrogen 2.852 N/A SER 132.A N LYS 128.A O no hydrogen 2.938 N/A SER 132.A OG TYR 129.A O no hydrogen 2.694 N/A ALA 133.A N TYR 129.A O no hydrogen 3.233 N/A ALA 133.A N ILE 130.A O no hydrogen 3.068 N/A ASN 134.A N HIS 131.A O no hydrogen 2.973 N/A VAL 135.A N ILE 130.A O no hydrogen 3.253 N/A LEU 136.A N ARG 161.A O no hydrogen 2.854 N/A HIS 137.A N ASP 199.A OD2 no hydrogen 3.005 N/A HIS 137.A NE2 CYS 155.A O no hydrogen 2.946 N/A ARG 138.A N ASP 199.A OD1 no hydrogen 2.903 N/A ARG 138.A NE GLY 193.A O no hydrogen 2.875 N/A ARG 138.A NH1 LYS 192.A O no hydrogen 3.232 N/A ARG 138.A NH2 LEU 159.A O no hydrogen 2.922 N/A ASP 139.A N HIS 137.A ND1 no hydrogen 3.093 N/A LYS 141.A NZ THR 179.A OG1 no hydrogen 2.737 N/A ASN 144.A N LYS 141.A O no hydrogen 2.980 N/A LEU 145.A N PRO 142.A O no hydrogen 3.118 N/A LEU 146.A N LYS 153.A O no hydrogen 2.897 N/A LEU 147.A N THR 100.A O no hydrogen 2.862 N/A ASN 148.A N ASP 151.A O no hydrogen 3.203 N/A ASN 148.A ND2 ASP 151.A OD2 no hydrogen 3.195 N/A THR 150.A N ASN 148.A OD1 no hydrogen 3.163 N/A THR 150.A OG1 ASN 148.A OD1 no hydrogen 2.996 N/A THR 150.A OG1 ASP 151.A OD2 no hydrogen 3.163 N/A LEU 152.A N GLN 122.A OE1 no hydrogen 2.912 N/A LYS 153.A N LEU 146.A O no hydrogen 2.850 N/A LYS 153.A NZ GLU 71.A O no hydrogen 2.915 N/A ILE 154.A N ASN 72.A O no hydrogen 2.840 N/A CYS 155.A N ASN 144.A O no hydrogen 2.981 N/A CYS 155.A SG ASN 144.A O no hydrogen 3.475 N/A PHE 157.A N GLU 61.A OE1 no hydrogen 3.231 N/A GLY 158.A N ASP 156.A OD1 no hydrogen 3.294 N/A ALA 160.A N PHE 157.A O no hydrogen 3.285 N/A ARG 161.A N LEU 136.A O no hydrogen 3.124 N/A ALA 163.A N ASN 134.A O no hydrogen 2.824 N/A ASP 164.A N TYR 194.A O no hydrogen 2.812 N/A HIS 167.A N ASP 164.A O no hydrogen 3.033 N/A HIS 167.A ND1 ASP 164.A OD1 no hydrogen 2.835 N/A ASP 168.A N PRO 165.A O no hydrogen 3.282 N/A THR 170.A N ASN 190.A O no hydrogen 3.158 N/A THR 170.A OG1 THR 174.A OG1 no hydrogen 2.999 N/A LEU 173.A N MET 188.A O no hydrogen 3.095 N/A THR 174.A OG1 THR 170.A OG1 no hydrogen 2.999 N/A THR 174.A OG1 GLY 171.A O no hydrogen 2.845 N/A THR 179.A N ASP 139.A OD1 no hydrogen 3.042 N/A THR 179.A OG1 ASP 139.A OD1 no hydrogen 2.688 N/A ARG 180.A NH1 GLY 219.A O no hydrogen 3.334 N/A TRP 181.A NE1 GLY 219.A O no hydrogen 3.008 N/A TYR 182.A N THR 179.A O no hydrogen 3.260 N/A TYR 182.A OH GLU 209.A OE1 no hydrogen 2.471 N/A TYR 182.A OH GLU 209.A OE2 no hydrogen 3.405 N/A ARG 183.A N ARG 180.A O no hydrogen 3.191 N/A ARG 183.A NE ALA 178.A O no hydrogen 2.900 N/A ARG 183.A NH2 ALA 178.A O no hydrogen 2.962 N/A GLU 186.A N GLU 186.A OE1 no hydrogen 2.827 N/A ILE 187.A N ALA 184.A O no hydrogen 3.107 N/A MET 188.A N PRO 185.A O no hydrogen 3.109 N/A LEU 189.A N GLU 186.A O no hydrogen 3.057 N/A ASN 190.A N GLU 186.A O no hydrogen 2.917 N/A ASN 190.A ND2 GLU 186.A O no hydrogen 3.576 N/A SER 191.A N GLU 186.A O no hydrogen 2.951 N/A SER 191.A OG ASP 168.A OD1 no hydrogen 3.044 N/A SER 191.A OG ASP 168.A OD2 no hydrogen 2.733 N/A LYS 192.A N ASP 168.A O no hydrogen 2.848 N/A GLY 193.A N SER 191.A OG no hydrogen 2.998 N/A TYR 194.A N ASP 168.A OD1 no hydrogen 2.798 N/A THR 195.A OG1 SER 197.A OG no hydrogen 3.077 N/A LYS 196.A NZ HIS 131.A O no hydrogen 3.098 N/A SER 197.A OG THR 195.A OG1 no hydrogen 3.077 N/A ILE 198.A N THR 195.A O no hydrogen 3.135 N/A ASP 199.A N LYS 196.A O no hydrogen 3.051 N/A TRP 201.A N SER 197.A O no hydrogen 3.296 N/A SER 202.A N ILE 198.A O no hydrogen 3.452 N/A SER 202.A OG TYR 182.A O no hydrogen 2.847 N/A SER 202.A OG ILE 198.A O no hydrogen 3.426 N/A VAL 203.A N ASP 199.A O no hydrogen 2.984 N/A GLY 204.A N ILE 200.A O no hydrogen 2.944 N/A CYS 205.A N TRP 201.A O no hydrogen 2.932 N/A CYS 205.A SG TRP 181.A O no hydrogen 4.007 N/A CYS 205.A SG TRP 201.A O no hydrogen 3.545 N/A ILE 206.A N SER 202.A O no hydrogen 2.989 N/A LEU 207.A N VAL 203.A O no hydrogen 2.860 N/A ALA 208.A N GLY 204.A O no hydrogen 3.002 N/A GLU 209.A N CYS 205.A O no hydrogen 3.071 N/A MET 210.A N ILE 206.A O no hydrogen 2.909 N/A LEU 211.A N LEU 207.A O no hydrogen 3.023 N/A SER 212.A N GLU 209.A O no hydrogen 3.298 N/A SER 212.A OG ALA 208.A O no hydrogen 3.110 N/A ASN 213.A N GLU 209.A O no hydrogen 2.693 N/A ASN 213.A ND2 LEU 106.A O no hydrogen 3.069 N/A ASN 213.A ND2 GLN 109.A O no hydrogen 2.758 N/A ARG 214.A N SER 212.A OG no hydrogen 3.253 N/A GLY 219.A N PHE 217.A O no hydrogen 2.959 N/A GLY 219.A N GLN 225.A OE1 no hydrogen 3.197 N/A LYS 220.A N ASP 224.A OD2 no hydrogen 2.875 N/A TYR 222.A OH THR 174.A O no hydrogen 2.548 N/A GLN 225.A N HIS 221.A O no hydrogen 3.114 N/A GLN 225.A NE2 PHE 217.A O no hydrogen 2.823 N/A LEU 226.A N LEU 223.A O no hydrogen 2.946 N/A HIS 228.A N ASP 224.A O no hydrogen 3.164 N/A HIS 228.A ND1 ASP 224.A O no hydrogen 2.857 N/A ILE 229.A N GLN 225.A O no hydrogen 3.274 N/A LEU 230.A N LEU 226.A O no hydrogen 2.885 N/A GLY 231.A N ASN 227.A O no hydrogen 3.054 N/A ILE 232.A N ILE 229.A O no hydrogen 3.070 N/A LEU 233.A N ILE 229.A O no hydrogen 2.895 N/A GLY 234.A N LEU 230.A O no hydrogen 2.839 N/A SER 235.A N LYS 258.A O no hydrogen 2.842 N/A SER 235.A OG LYS 258.A O no hydrogen 3.228 N/A ASP 240.A N SER 237.A OG no hydrogen 3.134 N/A LEU 241.A N SER 237.A O no hydrogen 2.910 N/A ASN 242.A N GLN 238.A O no hydrogen 2.832 N/A ASN 242.A ND2 GLN 238.A OE1 no hydrogen 3.544 N/A ALA 248.A N ASN 245.A OD1 no hydrogen 3.312 N/A ARG 249.A N ASN 245.A O no hydrogen 3.034 N/A ARG 249.A NE ILE 243.A O no hydrogen 2.826 N/A ARG 249.A NH2 ILE 243.A O no hydrogen 3.006 N/A ASN 250.A N LEU 246.A O no hydrogen 2.895 N/A TYR 251.A N LYS 247.A O no hydrogen 3.117 N/A LEU 252.A N ALA 248.A O no hydrogen 3.164 N/A LEU 253.A N ARG 249.A O no hydrogen 2.977 N/A SER 254.A N TYR 251.A O no hydrogen 3.042 N/A SER 254.A OG TYR 251.A O no hydrogen 2.640 N/A LEU 255.A N LEU 252.A O no hydrogen 3.364 N/A LYS 258.A N SER 235.A OG no hydrogen 2.873 N/A LYS 258.A NZ.A ASN 227.A O no hydrogen 3.465 N/A LYS 258.A NZ.A ASN 227.A OD1 no hydrogen 2.846 N/A LYS 260.A NZ ASP 279.A OD1 no hydrogen 3.417 N/A VAL 261.A N ILE 232.A O no hydrogen 2.898 N/A TRP 263.A NE1 ASP 279.A OD1 no hydrogen 2.869 N/A ARG 265.A N PRO 262.A O no hydrogen 3.009 N/A PHE 267.A N TRP 263.A O no hydrogen 2.831 N/A ALA 270.A N PHE 267.A O no hydrogen 3.097 N/A LYS 273.A N ASP 271.A OD1 no hydrogen 2.730 N/A LEU 275.A N ASP 271.A O no hydrogen 3.184 N/A ASP 276.A N SER 272.A O no hydrogen 3.041 N/A LEU 277.A N LYS 273.A O no hydrogen 3.145 N/A LEU 278.A N ALA 274.A O no hydrogen 2.920 N/A ASP 279.A N LEU 275.A O no hydrogen 3.084 N/A LYS 280.A N ASP 276.A O no hydrogen 3.404 N/A LYS 280.A NZ ASP 276.A OD1 no hydrogen 3.528 N/A LYS 280.A NZ ASP 276.A OD2 no hydrogen 3.349 N/A MET 281.A N LEU 277.A O no hydrogen 2.999 N/A MET 281.A N LEU 278.A O no hydrogen 3.138 N/A LEU 282.A N LEU 278.A O no hydrogen 2.816 N/A THR 283.A OG1 ASP 279.A O no hydrogen 3.005 N/A THR 283.A OG1 LYS 280.A O no hydrogen 3.343 N/A ASN 285.A ND2 ASP 240.A OD1 no hydrogen 3.049 N/A HIS 287.A N ASN 285.A OD1 no hydrogen 2.921 N/A LYS 288.A N ASN 285.A O no hydrogen 3.061 N/A LYS 288.A NZ GLU 239.A OE2 no hydrogen 2.807 N/A LYS 288.A NZ ASP 240.A OD1 no hydrogen 2.698 N/A ARG 289.A N PRO 286.A O no hydrogen 3.394 N/A ARG 289.A NE THR 283.A O no hydrogen 3.015 N/A ARG 289.A NH1 GLU 186.A OE2 no hydrogen 2.771 N/A ARG 289.A NH1 SER 197.A O no hydrogen 2.968 N/A ARG 289.A NH2 GLU 186.A OE1 no hydrogen 2.896 N/A ARG 289.A NH2 GLU 186.A OE2 no hydrogen 3.562 N/A ARG 289.A NH2 THR 283.A O no hydrogen 2.965 N/A ARG 289.A NH2 PHE 284.A O no hydrogen 3.253 N/A ILE 290.A N LYS 280.A O no hydrogen 3.237 N/A GLU 291.A N GLN 294.A OE1 no hydrogen 2.991 N/A ALA 295.A N GLU 291.A O no hydrogen 3.023 N/A LEU 296.A N VAL 292.A O no hydrogen 3.010 N/A ALA 297.A N GLU 293.A O no hydrogen 3.286 N/A HIS 298.A N ALA 295.A O no hydrogen 3.096 N/A HIS 298.A NE2 ASP 276.A OD2 no hydrogen 2.767 N/A TYR 300.A N HIS 298.A ND1 no hydrogen 3.072 N/A LEU 301.A N HIS 298.A O no hydrogen 2.941 N/A GLU 302.A N PRO 299.A O no hydrogen 3.216 N/A TYR 304.A N LEU 301.A O no hydrogen 2.873 N/A TYR 305.A N LEU 301.A O no hydrogen 3.047 N/A ASP 306.A N GLU 310.A OE2 no hydrogen 2.862 N/A SER 308.A N ASP 306.A OD1 no hydrogen 3.179 N/A SER 308.A OG ASP 306.A OD1 no hydrogen 2.848 N/A ASP 309.A N ASP 306.A O no hydrogen 2.756 N/A GLU 310.A N PRO 307.A O no hydrogen 3.364 N/A ALA 313.A N SER 132.A OG no hydrogen 2.804 N/A PHE 317.A N ALA 133.A O no hydrogen 2.829 N/A LEU 326.A N LEU 323.A O no hydrogen 3.323 N/A LEU 331.A N PRO 327.A O no hydrogen 3.047 N/A LYS 332.A N LYS 328.A O no hydrogen 2.938 N/A LYS 332.A NZ MET 88.A O no hydrogen 2.894 N/A GLU 333.A N GLU 329.A O no hydrogen 3.220 N/A LEU 334.A N LYS 330.A O no hydrogen 2.973 N/A ILE 335.A N LEU 331.A O no hydrogen 2.934 N/A PHE 336.A N LYS 332.A O no hydrogen 2.991 N/A GLU 337.A N GLU 333.A O no hydrogen 2.941 N/A GLU 338.A N LEU 334.A O no hydrogen 2.821 N/A THR 339.A N ILE 335.A O no hydrogen 3.027 N/A THR 339.A OG1 ILE 335.A O no hydrogen 2.796 N/A THR 339.A OG1 PHE 336.A O no hydrogen 3.091 N/A ALA 340.A N GLU 337.A O no hydrogen 3.333 N/A ARG 341.A NH2 GLU 338.A O no hydrogen 3.429 N/A PHE 342.A N THR 339.A O no hydrogen 3.255 N/A GLN 343.A N ALA 340.A O no hydrogen 3.070 N/A