Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2j8u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N VAL 103.A O no hydrogen 3.152 N/A HIS 3.A ND1 ASP 29.A OD2 no hydrogen 2.938 N/A SER 4.A N ASP 29.A OD1 no hydrogen 2.927 N/A SER 4.A OG ASP 29.A OD1 no hydrogen 3.463 N/A MET 5.A N CYS 101.A O no hydrogen 3.045 N/A ARG 6.A N TYR 27.A O no hydrogen 2.693 N/A ARG 6.A NH1 MET 5.A O no hydrogen 3.331 N/A ARG 6.A NH1 ASP 102.A OD1 no hydrogen 2.933 N/A ARG 6.A NH2 ASP 102.A OD1 no hydrogen 2.806 N/A ARG 6.A NH2 ASP 102.A OD2 no hydrogen 3.348 N/A TYR 7.A N TYR 99.A O no hydrogen 3.077 N/A PHE 8.A N VAL 25.A O no hydrogen 2.814 N/A PHE 9.A N ARG 97.A O no hydrogen 2.726 N/A THR 10.A N ILE 23.A O no hydrogen 2.846 N/A SER 11.A N VAL 95.A O no hydrogen 3.030 N/A SER 11.A OG VAL 95.A O no hydrogen 3.390 N/A VAL 12.A N ARG 21.A O no hydrogen 2.809 N/A SER 13.A N HIS 93.A O no hydrogen 3.051 N/A SER 13.A OG HIS 93.A O no hydrogen 3.368 N/A ARG 14.A NE GLU 19.A O no hydrogen 2.964 N/A ARG 14.A NH1 ASP 39.A OD2 no hydrogen 2.879 N/A ARG 14.A NH2 GLU 19.A O no hydrogen 2.748 N/A ARG 14.A NH2 ASP 39.A OD1 no hydrogen 3.165 N/A ARG 14.A NH2 ASP 39.A OD2 no hydrogen 3.491 N/A ARG 17.A N ARG 14.A O no hydrogen 3.297 N/A ARG 21.A N VAL 12.A O no hydrogen 2.811 N/A ARG 21.A NE ASP 37.A OD1 no hydrogen 2.785 N/A ARG 21.A NH2 ASP 37.A OD1 no hydrogen 3.028 N/A ARG 21.A NH2 ASP 37.A OD2 no hydrogen 3.110 N/A PHE 22.A N SER 38.A OG no hydrogen 2.768 N/A ILE 23.A N THR 10.A O no hydrogen 2.817 N/A ALA 24.A N PHE 36.A O no hydrogen 2.913 N/A VAL 25.A N PHE 8.A O no hydrogen 2.950 N/A GLY 26.A N VAL 34.A O no hydrogen 2.943 N/A TYR 27.A N ARG 6.A O no hydrogen 2.730 N/A VAL 28.A N THR 31.A O no hydrogen 2.932 N/A ASP 29.A N SER 4.A O no hydrogen 2.893 N/A THR 31.A N VAL 28.A O no hydrogen 3.097 N/A THR 31.A OG1 TYR 209.A OH no hydrogen 2.988 N/A GLN 32.A NE2 VAL 34.A O no hydrogen 3.650 N/A PHE 33.A N GLY 26.A O no hydrogen 2.952 N/A ARG 35.A N GLU 46.A O no hydrogen 2.938 N/A ARG 35.A NE GLU 46.A OE2 no hydrogen 3.197 N/A PHE 36.A N ALA 24.A O no hydrogen 2.817 N/A SER 38.A N PHE 22.A O no hydrogen 2.924 N/A SER 38.A OG PHE 22.A O no hydrogen 3.385 N/A SER 38.A OG ASP 39.A OD1 no hydrogen 3.081 N/A ALA 40.A N ASP 37.A O no hydrogen 3.252 N/A SER 42.A OG GLU 46.A OE2 no hydrogen 3.520 N/A GLN 43.A NE2 SER 38.A O no hydrogen 2.771 N/A GLN 43.A NE2 ALA 40.A O no hydrogen 3.243 N/A ARG 44.A NH1 ASP 61.A OD1 no hydrogen 3.561 N/A ARG 44.A NH2 ASP 61.A OD1 no hydrogen 3.050 N/A MET 45.A N THR 64.A OG1 no hydrogen 3.289 N/A GLU 46.A N ARG 35.A O no hydrogen 2.941 N/A ARG 48.A N PHE 33.A O no hydrogen 2.719 N/A GLU 53.A N PRO 50.A O no hydrogen 3.395 N/A GLU 55.A N ILE 52.A O no hydrogen 3.374 N/A TYR 59.A N GLY 56.A O no hydrogen 3.225 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.679 N/A TRP 60.A N GLY 56.A O no hydrogen 3.432 N/A ASP 61.A N PRO 57.A O no hydrogen 3.027 N/A GLY 62.A N GLU 58.A O no hydrogen 3.379 N/A GLU 63.A N TYR 59.A O no hydrogen 2.871 N/A THR 64.A N TRP 60.A O no hydrogen 2.948 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.621 N/A ARG 65.A N ASP 61.A O no hydrogen 3.278 N/A ALA 66.A N GLY 62.A O no hydrogen 3.196 N/A VAL 67.A N GLU 63.A O no hydrogen 3.148 N/A LYS 68.A N THR 64.A O no hydrogen 3.096 N/A ALA 69.A N ARG 65.A O no hydrogen 3.423 N/A HIS 70.A N ALA 66.A O no hydrogen 2.942 N/A SER 71.A N VAL 67.A O no hydrogen 2.792 N/A GLN 72.A N LYS 68.A O no hydrogen 2.920 N/A THR 73.A N ALA 69.A O no hydrogen 2.832 N/A THR 73.A OG1 ALA 69.A O no hydrogen 2.575 N/A HIS 74.A N HIS 70.A O no hydrogen 3.116 N/A ARG 75.A N SER 71.A O no hydrogen 3.137 N/A VAL 76.A N GLN 72.A O no hydrogen 3.296 N/A ASP 77.A N THR 73.A O no hydrogen 2.865 N/A LEU 78.A N HIS 74.A O no hydrogen 3.178 N/A THR 80.A N VAL 76.A O no hydrogen 2.900 N/A THR 80.A OG1 VAL 76.A O no hydrogen 2.679 N/A LEU 81.A N ASP 77.A O no hydrogen 2.950 N/A ARG 82.A N LEU 78.A O no hydrogen 3.287 N/A TYR 84.A N THR 80.A O no hydrogen 3.127 N/A TYR 85.A N LEU 81.A O no hydrogen 3.126 N/A TYR 85.A OH ASP 137.A OD1 no hydrogen 3.079 N/A TYR 85.A OH ASP 137.A OD2 no hydrogen 2.686 N/A GLN 87.A N ARG 82.A O no hydrogen 2.820 N/A GLN 87.A NE2 TYR 118.A OH no hydrogen 2.723 N/A SER 92.A OG SER 13.A O no hydrogen 2.647 N/A HIS 93.A N SER 13.A OG no hydrogen 2.901 N/A THR 94.A N ASP 119.A OD1 no hydrogen 3.196 N/A VAL 95.A N SER 11.A O no hydrogen 2.891 N/A GLN 96.A N ALA 117.A O no hydrogen 2.821 N/A ARG 97.A N PHE 9.A O no hydrogen 2.880 N/A MET 98.A N GLN 115.A O no hydrogen 2.940 N/A TYR 99.A N TYR 7.A O no hydrogen 3.352 N/A GLY 100.A N TYR 113.A O no hydrogen 3.119 N/A CYS 101.A N MET 5.A O no hydrogen 3.184 N/A ASP 102.A N ARG 111.A O no hydrogen 2.757 N/A VAL 103.A N HIS 3.A O no hydrogen 2.836 N/A GLY 104.A N ARG 108.A O no hydrogen 3.001 N/A TRP 107.A N GLY 104.A O no hydrogen 3.191 N/A ARG 108.A N ASP 106.A OD1 no hydrogen 3.343 N/A ARG 108.A NH1 ASP 106.A OD2 no hydrogen 3.272 N/A LEU 110.A N ASP 102.A O no hydrogen 2.803 N/A TYR 113.A N GLY 100.A O no hydrogen 2.773 N/A TYR 113.A OH ASP 102.A OD2 no hydrogen 3.043 N/A GLN 115.A N MET 98.A O no hydrogen 2.823 N/A TYR 116.A N ILE 124.A O no hydrogen 2.802 N/A ALA 117.A N GLN 96.A O no hydrogen 2.753 N/A TYR 118.A N LYS 121.A O no hydrogen 2.935 N/A ASP 119.A N THR 94.A O no hydrogen 2.984 N/A LYS 121.A N TYR 118.A O no hydrogen 3.243 N/A TYR 123.A N TYR 116.A O no hydrogen 3.218 N/A TYR 123.A OH ALA 139.A O no hydrogen 2.937 N/A TYR 123.A OH THR 143.A OG1 no hydrogen 2.682 N/A ALA 125.A N THR 134.A O no hydrogen 3.142 N/A LEU 126.A N HIS 114.A O no hydrogen 2.862 N/A LYS 127.A N SER 132.A O no hydrogen 3.021 N/A LEU 130.A N LYS 127.A O no hydrogen 3.028 N/A ARG 131.A N ASP 129.A OD1 no hydrogen 3.197 N/A SER 132.A N ASP 129.A OD1 no hydrogen 3.167 N/A SER 132.A OG ASP 129.A OD1 no hydrogen 3.473 N/A SER 132.A OG ASP 129.A OD2 no hydrogen 2.934 N/A THR 134.A N ALA 125.A O no hydrogen 2.739 N/A THR 134.A OG1 ALA 125.A O no hydrogen 3.396 N/A ALA 136.A N TYR 123.A O no hydrogen 3.018 N/A ALA 140.A N ASP 137.A OD1 no hydrogen 2.839 N/A GLN 141.A N ASP 137.A O no hydrogen 3.274 N/A THR 143.A OG1 TYR 123.A OH no hydrogen 2.682 N/A LYS 144.A N ALA 140.A O no hydrogen 3.005 N/A HIS 145.A N GLN 141.A O no hydrogen 2.890 N/A LYS 146.A N THR 142.A O no hydrogen 3.206 N/A TRP 147.A N THR 143.A O no hydrogen 3.073 N/A GLU 148.A N LYS 144.A O no hydrogen 3.085 N/A ALA 149.A N HIS 145.A O no hydrogen 3.343 N/A ALA 150.A N LYS 146.A O no hydrogen 3.301 N/A HIS 151.A N GLU 148.A O no hydrogen 3.404 N/A VAL 152.A N TRP 147.A O no hydrogen 2.850 N/A GLN 155.A N HIS 151.A O no hydrogen 3.367 N/A LEU 156.A N VAL 152.A O no hydrogen 2.768 N/A ARG 157.A N ALA 153.A O no hydrogen 3.071 N/A TYR 159.A N LEU 156.A O no hydrogen 3.095 N/A LEU 160.A N LEU 156.A O no hydrogen 2.982 N/A GLU 161.A N ARG 157.A O no hydrogen 2.932 N/A THR 163.A OG1 ALA 158.A O no hydrogen 3.475 N/A CYS 164.A N TYR 159.A O no hydrogen 2.656 N/A GLU 166.A N GLY 162.A O no hydrogen 2.926 N/A TRP 167.A N THR 163.A O no hydrogen 3.141 N/A LEU 168.A N CYS 164.A O no hydrogen 3.099 N/A ARG 169.A N VAL 165.A O no hydrogen 2.875 N/A ARG 169.A NE TRP 107.A O no hydrogen 3.038 N/A ARG 170.A N GLU 166.A O no hydrogen 3.199 N/A ARG 170.A NE GLU 55.A OE2 no hydrogen 3.148 N/A TYR 171.A N TRP 167.A O no hydrogen 2.953 N/A LEU 172.A N LEU 168.A O no hydrogen 2.999 N/A GLU 173.A N ARG 169.A O no hydrogen 3.215 N/A ASN 174.A N ARG 170.A O no hydrogen 3.045 N/A GLY 175.A N TYR 171.A O no hydrogen 2.835 N/A THR 178.A N GLY 175.A O no hydrogen 3.334 N/A LEU 179.A N GLY 175.A O no hydrogen 2.783 N/A GLN 180.A NE2 LEU 172.A O no hydrogen 2.801 N/A ARG 181.A NE ASP 183.A OD2 no hydrogen 2.799 N/A ARG 181.A NH1 THR 178.A O no hydrogen 2.713 N/A ARG 181.A NH2 ASP 183.A OD2 no hydrogen 3.438 N/A ARG 181.A NH2 GLY 239.A O no hydrogen 3.293 N/A ASP 183.A N TYR 209.A O no hydrogen 3.023 N/A LYS 186.A N LEU 206.A O no hydrogen 2.770 N/A THR 190.A N ARG 202.A O no hydrogen 3.099 N/A HIS 192.A N THR 200.A O no hydrogen 3.074 N/A VAL 194.A N GLU 198.A O no hydrogen 3.216 N/A SER 195.A N GLU 198.A O no hydrogen 3.270 N/A HIS 197.A ND1 ASP 196.A OD1 no hydrogen 2.847 N/A GLU 198.A N SER 195.A OG no hydrogen 3.079 N/A ALA 199.A N VAL 249.A O no hydrogen 2.645 N/A THR 200.A N HIS 192.A O no hydrogen 2.703 N/A LEU 201.A N VAL 247.A O no hydrogen 3.294 N/A ARG 202.A N THR 190.A O no hydrogen 3.011 N/A CYS 203.A N ALA 245.A O no hydrogen 2.787 N/A TRP 204.A N HIS 188.A O no hydrogen 2.999 N/A ALA 205.A N LYS 243.A O no hydrogen 2.919 N/A LEU 206.A N LYS 186.A O no hydrogen 2.893 N/A PHE 208.A N PHE 241.A O no hydrogen 3.373 N/A TYR 209.A N ASP 183.A O no hydrogen 3.260 N/A TYR 209.A OH THR 31.A OG1 no hydrogen 2.988 N/A ALA 211.A N ASP 30.A OD2 no hydrogen 3.123 N/A THR 214.A N GLN 262.A O no hydrogen 3.161 N/A THR 216.A N HIS 260.A O no hydrogen 3.197 N/A TRP 217.A NE1 ALA 245.A O no hydrogen 3.138 N/A GLN 218.A N THR 258.A O no hydrogen 2.781 N/A ARG 219.A N GLU 222.A O no hydrogen 2.958 N/A ARG 219.A NE TYR 257.A OH no hydrogen 2.976 N/A ARG 219.A NH2 GLN 253.A OE1 no hydrogen 3.044 N/A ASP 220.A N ARG 256.A O no hydrogen 3.398 N/A GLU 222.A N ARG 219.A O no hydrogen 3.329 N/A GLN 224.A N TRP 217.A O no hydrogen 2.785 N/A THR 228.A OG1 GLN 224.A O no hydrogen 2.695 N/A GLU 229.A N ALA 246.A O no hydrogen 2.769 N/A ARG 234.A N GLN 242.A O no hydrogen 2.914 N/A ARG 234.A NE GLN 242.A OE1 no hydrogen 3.357 N/A ARG 234.A NH2 GLN 242.A OE1 no hydrogen 3.415 N/A ALA 236.A N THR 240.A O no hydrogen 2.897 N/A THR 240.A N ASP 238.A OD1 no hydrogen 3.389 N/A THR 240.A OG1 ASP 238.A OD1 no hydrogen 2.708 N/A THR 240.A OG1 ASP 238.A OD2 no hydrogen 3.562 N/A PHE 241.A N PHE 208.A O no hydrogen 2.871 N/A GLN 242.A N ARG 234.A O no hydrogen 2.732 N/A LYS 243.A N ALA 205.A O no hydrogen 3.056 N/A ALA 245.A N CYS 203.A O no hydrogen 3.209 N/A ALA 246.A N GLU 229.A O no hydrogen 2.841 N/A VAL 247.A N LEU 201.A O no hydrogen 3.280 N/A VAL 249.A N ALA 199.A O no hydrogen 2.797 N/A SER 251.A N HIS 197.A O no hydrogen 2.809 N/A GLY 252.A N GLU 254.A OE2 no hydrogen 2.818 N/A GLN 253.A N PRO 250.A O no hydrogen 3.092 N/A ARG 256.A NE ASP 220.A OD1 no hydrogen 3.535 N/A ARG 256.A NH2 ASP 220.A OD2 no hydrogen 2.812 N/A TYR 257.A N GLU 254.A O no hydrogen 3.473 N/A THR 258.A N GLN 218.A O no hydrogen 2.897 N/A THR 258.A OG1 GLN 218.A O no hydrogen 3.416 N/A CYS 259.A N LEU 272.A O no hydrogen 2.945 N/A HIS 260.A N THR 216.A O no hydrogen 2.894 N/A VAL 261.A N LEU 270.A O no hydrogen 3.148 N/A GLN 262.A N THR 214.A O no hydrogen 3.043 N/A HIS 263.A NE2 TYR 209.A O no hydrogen 3.165 N/A LEU 266.A N HIS 263.A O no hydrogen 3.199 N/A LEU 270.A N VAL 261.A O no hydrogen 3.221 N/A LEU 272.A N CYS 259.A O no hydrogen 2.864 N/A ARG 273.A NH1 GLN 255.A O no hydrogen 2.784 N/A