Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3nj8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N ALA 32.A O no hydrogen 2.939 N/A ARG 6.A N ASP 4.A OD1 no hydrogen 3.373 N/A ARG 6.A NE ASP 4.A OD2 no hydrogen 3.488 N/A GLN 8.A N LEU 5.A O no hydrogen 3.187 N/A THR 9.A N ASP 120.A OD2 no hydrogen 3.509 N/A ALA 10.A N ARG 35.A O no hydrogen 2.789 N/A PHE 11.A N ILE 121.A O no hydrogen 2.818 N/A VAL 12.A N ALA 37.A O no hydrogen 2.779 N/A ALA 13.A N VAL 123.A O no hydrogen 2.793 N/A GLY 14.A N GLY 39.A O no hydrogen 2.919 N/A VAL 15.A N GLY 39.A O no hydrogen 3.136 N/A SER 18.A OG ASP 60.A OD2 no hydrogen 2.950 N/A HIS 19.A N ASP 17.A OD2 no hydrogen 2.987 N/A GLY 20.A N ASP 17.A OD2 no hydrogen 3.261 N/A TYR 21.A OH GLY 223.A O no hydrogen 2.693 N/A ILE 25.A N TYR 21.A O no hydrogen 3.095 N/A ILE 25.A N GLY 22.A O no hydrogen 2.972 N/A ALA 26.A N GLY 22.A O no hydrogen 3.244 N/A LYS 27.A N TRP 23.A O no hydrogen 2.978 N/A HIS 28.A N ALA 24.A O no hydrogen 3.042 N/A HIS 28.A ND1 ALA 24.A O no hydrogen 2.703 N/A LEU 29.A N ILE 25.A O no hydrogen 2.529 N/A SER 31.A N LYS 27.A O no hydrogen 3.373 N/A SER 31.A OG LYS 27.A O no hydrogen 3.454 N/A SER 31.A OG HIS 28.A O no hydrogen 3.437 N/A GLY 33.A N ALA 30.A O no hydrogen 2.648 N/A ALA 34.A N LEU 29.A O no hydrogen 3.199 N/A ARG 35.A N GLN 8.A O no hydrogen 3.020 N/A ARG 35.A NE THR 9.A OG1 no hydrogen 3.042 N/A ARG 35.A NH2 THR 9.A OG1 no hydrogen 2.677 N/A ALA 37.A N ALA 10.A O no hydrogen 2.764 N/A LEU 38.A N GLY 73.A O no hydrogen 2.845 N/A GLY 39.A N VAL 12.A O no hydrogen 3.135 N/A THR 40.A N TYR 75.A O no hydrogen 2.738 N/A THR 40.A OG1 VAL 15.A O no hydrogen 2.495 N/A VAL 44.A N TRP 41.A O no hydrogen 3.070 N/A LEU 45.A N PRO 42.A O no hydrogen 3.179 N/A PHE 48.A N VAL 44.A O no hydrogen 3.146 N/A GLN 49.A N LEU 45.A O no hydrogen 2.711 N/A LYS 50.A N GLY 46.A O no hydrogen 2.990 N/A SER 51.A N LEU 47.A O no hydrogen 3.291 N/A SER 51.A OG LEU 47.A O no hydrogen 3.265 N/A LEU 52.A N PHE 48.A O no hydrogen 3.120 N/A GLN 53.A N GLN 49.A O no hydrogen 2.870 N/A SER 54.A N LYS 50.A O no hydrogen 2.850 N/A SER 54.A OG LYS 50.A O no hydrogen 2.874 N/A SER 54.A OG SER 51.A O no hydrogen 3.054 N/A GLY 55.A N SER 51.A O no hydrogen 3.229 N/A ARG 56.A N SER 54.A OG no hydrogen 3.400 N/A ASP 58.A N GLY 55.A O no hydrogen 3.014 N/A ASP 60.A N LEU 57.A O no hydrogen 2.905 N/A ARG 61.A N ASP 58.A O no hydrogen 3.167 N/A ARG 61.A NE ILE 69.A O no hydrogen 3.110 N/A ARG 61.A NH1 ASP 58.A OD1 no hydrogen 3.045 N/A ARG 61.A NH2 ILE 69.A O no hydrogen 3.029 N/A LEU 63.A N SER 67.A O no hydrogen 3.059 N/A GLY 66.A N LEU 63.A O no hydrogen 3.191 N/A SER 67.A N ASP 65.A OD2 no hydrogen 3.350 N/A SER 67.A OG ASP 65.A OD1 no hydrogen 3.206 N/A SER 67.A OG ASP 65.A OD2 no hydrogen 3.092 N/A ILE 69.A N ARG 61.A O no hydrogen 2.943 N/A ALA 72.A N VAL 36.A O no hydrogen 2.715 N/A TYR 75.A N LEU 38.A O no hydrogen 2.597 N/A TYR 75.A OH ASP 115.A OD2 no hydrogen 2.712 N/A LEU 77.A N THR 40.A O no hydrogen 3.063 N/A ASP 78.A N TYR 103.A O no hydrogen 2.774 N/A ALA 80.A N ASP 78.A OD1 no hydrogen 2.963 N/A PHE 81.A N ASP 78.A O no hydrogen 3.340 N/A ASP 82.A N ASP 86.A OD2 no hydrogen 3.381 N/A LYS 83.A N ASP 86.A OD2 no hydrogen 3.108 N/A GLU 85.A N GLU 85.A OE1 no hydrogen 2.595 N/A ASP 86.A N LYS 83.A O no hydrogen 2.672 N/A VAL 87.A N PRO 84.A O no hydrogen 3.169 N/A ILE 91.A N PRO 88.A O no hydrogen 2.830 N/A LYS 92.A N PRO 88.A O no hydrogen 3.018 N/A ASP 93.A N GLN 89.A O no hydrogen 3.268 N/A ASN 94.A N ILE 91.A O no hydrogen 2.512 N/A ARG 96.A N ASN 94.A OD1 no hydrogen 3.195 N/A ARG 96.A NH2 PRO 43.A O no hydrogen 3.417 N/A TYR 97.A N ASN 94.A O no hydrogen 2.351 N/A TYR 97.A OH ASP 78.A OD2 no hydrogen 2.329 N/A THR 104.A N GLU 107.A OE1 no hydrogen 3.363 N/A THR 104.A OG1 ASP 82.A O no hydrogen 3.334 N/A THR 104.A OG1 GLU 107.A OE1 no hydrogen 2.730 N/A LYS 106.A N ASP 82.A O no hydrogen 2.979 N/A VAL 108.A N THR 104.A O no hydrogen 2.924 N/A ALA 109.A N ILE 105.A O no hydrogen 2.856 N/A VAL 110.A N LYS 106.A O no hydrogen 3.207 N/A LYS 111.A N GLU 107.A O no hydrogen 2.957 N/A LYS 111.A NZ ASP 101.A O no hydrogen 3.177 N/A VAL 112.A N VAL 108.A O no hydrogen 2.834 N/A LYS 113.A N ALA 109.A O no hydrogen 3.386 N/A LYS 113.A NZ ASN 118.A OD1 no hydrogen 2.882 N/A GLN 114.A N VAL 110.A O no hydrogen 2.880 N/A ASP 115.A N LYS 111.A O no hydrogen 2.723 N/A LEU 116.A N VAL 112.A O no hydrogen 2.773 N/A GLY 117.A N VAL 112.A O no hydrogen 3.121 N/A ASN 118.A ND2 ASN 167.A OD1 no hydrogen 3.002 N/A ILE 119.A N ILE 165.A O no hydrogen 2.889 N/A ASP 120.A N THR 9.A O no hydrogen 2.877 N/A ILE 121.A N THR 9.A O no hydrogen 3.019 N/A LEU 122.A N SER 171.A O no hydrogen 2.975 N/A VAL 123.A N PHE 11.A O no hydrogen 2.796 N/A HIS 124.A N VAL 173.A O no hydrogen 3.030 N/A HIS 124.A ND1 THR 174.A OG1 no hydrogen 2.939 N/A HIS 124.A NE2 SER 154.A OG no hydrogen 2.790 N/A SER 125.A N ALA 13.A O no hydrogen 2.921 N/A ASN 128.A N SER 151.A OG no hydrogen 2.953 N/A VAL 132.A N GLY 129.A O no hydrogen 3.080 N/A LYS 134.A N GLU 131.A O no hydrogen 2.765 N/A GLU 138.A N PRO 135.A O no hydrogen 2.954 N/A THR 139.A N LEU 136.A O no hydrogen 3.219 N/A THR 139.A OG1 PRO 135.A O no hydrogen 2.617 N/A SER 140.A N GLU 131.A OE1 no hydrogen 2.720 N/A SER 140.A OG GLU 131.A OE1 no hydrogen 3.247 N/A SER 140.A OG GLU 131.A OE2 no hydrogen 2.696 N/A GLY 143.A N SER 140.A OG no hydrogen 2.764 N/A TYR 144.A N SER 140.A O no hydrogen 3.026 N/A LEU 145.A N ARG 141.A O no hydrogen 2.806 N/A ALA 146.A N LYS 142.A O no hydrogen 3.061 N/A ALA 147.A N GLY 143.A O no hydrogen 3.041 N/A SER 148.A N TYR 144.A O no hydrogen 3.151 N/A SER 149.A N LEU 145.A O no hydrogen 2.740 N/A ASN 150.A N ALA 146.A O no hydrogen 2.827 N/A ASN 150.A N ALA 147.A O no hydrogen 3.166 N/A ASN 150.A ND2 ASN 128.A O no hydrogen 3.370 N/A SER 151.A N ALA 147.A O no hydrogen 2.799 N/A SER 151.A OG ALA 147.A O no hydrogen 3.093 N/A ALA 152.A N SER 148.A O no hydrogen 3.136 N/A TYR 153.A N SER 148.A O no hydrogen 2.976 N/A SER 154.A OG HIS 124.A NE2 no hydrogen 2.790 N/A SER 154.A OG ASN 150.A O no hydrogen 2.600 N/A PHE 155.A N ALA 152.A O no hydrogen 2.845 N/A SER 157.A N TYR 153.A O no hydrogen 2.980 N/A SER 157.A OG ASP 82.A OD1 no hydrogen 2.767 N/A LEU 158.A N SER 154.A O no hydrogen 2.851 N/A LEU 159.A N PHE 155.A O no hydrogen 2.964 N/A GLN 160.A N VAL 156.A O no hydrogen 2.862 N/A HIS 161.A N SER 157.A O no hydrogen 3.162 N/A PHE 162.A N LEU 158.A O no hydrogen 3.213 N/A MET 166.A N GLY 163.A O no hydrogen 2.784 N/A ASN 167.A N ILE 119.A O no hydrogen 2.980 N/A ASN 167.A ND2 ASP 120.A OD1 no hydrogen 3.141 N/A GLY 169.A N GLY 214.A O no hydrogen 3.140 N/A GLY 170.A N ASN 167.A O no hydrogen 2.795 N/A SER 171.A N ASP 120.A O no hydrogen 2.920 N/A ALA 172.A N ARG 216.A O no hydrogen 2.810 N/A VAL 173.A N LEU 122.A O no hydrogen 3.208 N/A THR 174.A N ASN 218.A O no hydrogen 2.835 N/A THR 174.A OG1 HIS 124.A ND1 no hydrogen 2.939 N/A LEU 175.A N THR 174.A OG1 no hydrogen 2.665 N/A SER 176.A N ILE 220.A O no hydrogen 3.203 N/A SER 176.A OG TYR 177.A O no hydrogen 3.350 N/A SER 176.A OG GLU 199.A OE2 no hydrogen 2.656 N/A ALA 180.A N TYR 177.A O no hydrogen 2.999 N/A GLU 181.A N LEU 178.A O no hydrogen 2.995 N/A ARG 182.A N LEU 178.A O no hydrogen 3.208 N/A TYR 187.A N VAL 184.A O no hydrogen 3.256 N/A GLY 188.A N VAL 132.A O no hydrogen 2.921 N/A GLY 189.A N LYS 134.A O no hydrogen 2.617 N/A MET 191.A N GLY 188.A O no hydrogen 3.320 N/A ALA 194.A N GLY 190.A O no hydrogen 2.749 N/A LYS 195.A N MET 191.A O no hydrogen 2.797 N/A LYS 195.A NZ LEU 175.A O no hydrogen 3.367 N/A ALA 196.A N SER 192.A O no hydrogen 3.222 N/A ALA 197.A N SER 193.A O no hydrogen 2.963 N/A LEU 198.A N ALA 194.A O no hydrogen 3.030 N/A GLU 199.A N LYS 195.A O no hydrogen 2.900 N/A SER 200.A N ALA 196.A O no hydrogen 3.051 N/A ASP 201.A N ALA 197.A O no hydrogen 2.793 N/A THR 202.A N GLU 199.A O no hydrogen 3.334 N/A THR 202.A OG1 LEU 198.A O no hydrogen 2.636 N/A ARG 203.A N SER 200.A O no hydrogen 3.012 N/A THR 204.A N SER 200.A O no hydrogen 2.882 N/A THR 204.A OG1 SER 200.A O no hydrogen 2.725 N/A LEU 205.A N ASP 201.A O no hydrogen 2.984 N/A ALA 206.A N THR 202.A O no hydrogen 3.319 N/A TRP 207.A N ARG 203.A O no hydrogen 3.418 N/A GLU 208.A N THR 204.A O no hydrogen 2.990 N/A ALA 209.A N LEU 205.A O no hydrogen 2.607 N/A GLN 211.A N GLU 208.A O no hydrogen 3.050 N/A LYS 212.A N GLU 208.A O no hydrogen 2.939 N/A TYR 213.A N ALA 209.A O no hydrogen 3.002 N/A VAL 215.A N ALA 209.A O no hydrogen 3.316 N/A ARG 216.A N GLY 170.A O no hydrogen 2.917 N/A ARG 216.A NH1 LEU 268.A O no hydrogen 3.269 N/A ARG 216.A NH1 VAL 276.A O no hydrogen 2.421 N/A ARG 216.A NH2 LEU 268.A O no hydrogen 2.596 N/A ASN 218.A N ALA 172.A O no hydrogen 2.837 N/A ASN 218.A ND2 VAL 276.A O no hydrogen 2.955 N/A ALA 219.A N VAL 279.A O no hydrogen 2.822 N/A ILE 220.A N THR 174.A O no hydrogen 3.085 N/A ALA 222.A N SER 176.A O no hydrogen 2.998 N/A GLY 223.A N VAL 283.A O no hydrogen 3.103 N/A LYS 226.A NZ ASP 240.A OD1 no hydrogen 3.217 N/A LYS 226.A NZ ASP 240.A OD2 no hydrogen 3.443 N/A ALA 230.A N SER 227.A O no hydrogen 2.909 N/A ALA 230.A N SER 227.A OG no hydrogen 3.350 N/A SER 231.A N SER 227.A O no hydrogen 2.972 N/A SER 231.A OG SER 227.A O no hydrogen 3.092 N/A ALA 232.A N ARG 228.A O no hydrogen 3.215 N/A ILE 233.A N ALA 230.A O no hydrogen 2.714 N/A TYR 241.A N SER 237.A O no hydrogen 3.204 N/A ALA 242.A N PHE 238.A O no hydrogen 3.466 N/A ILE 243.A N ILE 239.A O no hydrogen 2.971 N/A ASP 244.A N ASP 240.A O no hydrogen 2.818 N/A TYR 245.A N TYR 241.A O no hydrogen 2.762 N/A SER 246.A N ALA 242.A O no hydrogen 2.891 N/A TYR 247.A N ILE 243.A O no hydrogen 2.945 N/A ASN 248.A N ASP 244.A O no hydrogen 3.085 N/A ASN 248.A N TYR 245.A O no hydrogen 2.906 N/A ASN 249.A N SER 246.A O no hydrogen 3.005 N/A ASN 249.A ND2 ASP 295.A OD2 no hydrogen 3.177 N/A ALA 250.A N SER 246.A O no hydrogen 2.799 N/A LEU 252.A N ASN 285.A O no hydrogen 3.282 N/A ARG 254.A NH1 ASP 260.A OD2 no hydrogen 2.762 N/A ARG 254.A NH1 ASN 285.A OD1 no hydrogen 2.967 N/A ARG 254.A NH2 ASP 260.A OD1 no hydrogen 3.396 N/A ARG 254.A NH2 ASP 260.A OD2 no hydrogen 2.886 N/A ASP 260.A N HIS 257.A O no hydrogen 2.878 N/A GLY 262.A N SER 258.A O no hydrogen 2.849 N/A GLY 263.A N ASP 259.A O no hydrogen 2.626 N/A ALA 264.A N ASP 260.A O no hydrogen 2.908 N/A ALA 265.A N VAL 261.A O no hydrogen 2.782 N/A LEU 266.A N GLY 262.A O no hydrogen 3.129 N/A PHE 267.A N GLY 263.A O no hydrogen 3.215 N/A LEU 268.A N ALA 264.A O no hydrogen 3.430 N/A LEU 269.A N ALA 265.A O no hydrogen 2.996 N/A SER 270.A N PHE 267.A O no hydrogen 2.903 N/A SER 270.A OG PHE 267.A O no hydrogen 2.830 N/A LEU 272.A N SER 270.A OG no hydrogen 3.267 N/A ALA 273.A N SER 270.A O no hydrogen 2.814 N/A ARG 274.A N PRO 271.A O no hydrogen 3.101 N/A ARG 274.A NE PRO 271.A O no hydrogen 2.826 N/A VAL 276.A N ALA 273.A O no hydrogen 2.874 N/A GLY 278.A N VAL 217.A O no hydrogen 2.706 N/A VAL 279.A N ASN 218.A OD1 no hydrogen 2.875 N/A LEU 281.A N ALA 219.A O no hydrogen 2.776 N/A VAL 283.A N SER 221.A O no hydrogen 2.844 N/A GLY 286.A N ASP 284.A OD1 no hydrogen 2.693 N/A LEU 287.A N ASP 284.A O no hydrogen 3.417 N/A HIS 288.A N ASP 284.A OD2 no hydrogen 2.506 N/A ALA 289.A N GLY 286.A O no hydrogen 2.915 N/A MET 290.A N LEU 287.A O no hydrogen 3.227 N/A SER 296.A OG SER 298.A OG no hydrogen 3.194 N/A SER 298.A N SER 296.A OG no hydrogen 2.942 N/A SER 298.A OG SER 296.A OG no hydrogen 3.194 N/A MET 299.A N SER 296.A O no hydrogen 3.209 N/A