Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rq8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 7.A N LEU 202.A O no hydrogen 2.957 N/A TRP 7.A NE1 ASN 239.A OD1 no hydrogen 2.870 N/A THR 8.A N HIS 11.A ND1 no hydrogen 3.436 N/A THR 8.A OG1 GLU 10.A OE1 no hydrogen 3.454 N/A THR 8.A OG1 HIS 11.A ND1 no hydrogen 2.883 N/A GLU 10.A N GLU 10.A OE1 no hydrogen 2.893 N/A HIS 11.A ND1 THR 8.A OG1 no hydrogen 2.883 N/A VAL 12.A N THR 8.A O no hydrogen 2.964 N/A ARG 13.A N GLU 9.A O no hydrogen 2.860 N/A ARG 13.A NE GLU 9.A OE2 no hydrogen 2.769 N/A ARG 13.A NH1 ARG 275.A O no hydrogen 3.265 N/A ARG 13.A NH2 GLU 9.A OE2 no hydrogen 2.758 N/A ARG 13.A NH2 ARG 275.A O no hydrogen 2.910 N/A ALA 14.A N GLU 10.A O no hydrogen 3.085 N/A THR 15.A N VAL 12.A O no hydrogen 3.087 N/A THR 15.A OG1 HIS 11.A O no hydrogen 2.727 N/A THR 15.A OG1 VAL 12.A O no hydrogen 3.406 N/A LEU 16.A N VAL 12.A O no hydrogen 2.976 N/A ARG 19.A NH1 GLY 55.A O no hydrogen 2.877 N/A ARG 19.A NH2 LEU 56.A O no hydrogen 3.097 N/A GLU 22.A N ASP 20.A OD2 no hydrogen 3.109 N/A SER 23.A N ASP 20.A O no hydrogen 3.067 N/A SER 23.A OG ASP 20.A O no hydrogen 2.506 N/A SER 23.A OG TYR 28.A OH no hydrogen 2.836 N/A HIS 24.A N THR 27.A OG1 no hydrogen 3.152 N/A THR 27.A N HIS 24.A O no hydrogen 2.912 N/A THR 27.A OG1 HIS 24.A O no hydrogen 3.203 N/A TYR 28.A N LYS 25.A O no hydrogen 2.950 N/A TYR 28.A OH SER 23.A OG no hydrogen 2.836 N/A GLY 29.A N GLY 26.A O no hydrogen 3.339 N/A ALA 31.A N LYS 58.A O no hydrogen 2.875 N/A LEU 32.A N ALA 99.A O no hydrogen 2.948 N/A LEU 33.A N VAL 60.A O no hydrogen 2.862 N/A LEU 34.A N ALA 101.A O no hydrogen 2.768 N/A GLY 36.A N PRO 104.A O no hydrogen 2.947 N/A SER 37.A N MET 40.A O no hydrogen 3.345 N/A SER 37.A OG GLY 105.A O no hydrogen 2.646 N/A MET 40.A N SER 37.A O no hydrogen 2.908 N/A MET 40.A N SER 37.A OG no hydrogen 3.279 N/A ALA 44.A N PRO 41.A O no hydrogen 3.156 N/A LEU 46.A N GLY 42.A O no hydrogen 3.004 N/A ALA 47.A N ALA 43.A O no hydrogen 2.880 N/A GLY 48.A N ALA 44.A O no hydrogen 2.833 N/A LEU 49.A N LEU 45.A O no hydrogen 2.969 N/A GLY 50.A N LEU 46.A O no hydrogen 3.059 N/A ALA 51.A N ALA 47.A O no hydrogen 2.940 N/A MET 52.A N GLY 48.A O no hydrogen 2.918 N/A ARG 53.A N LEU 49.A O no hydrogen 2.965 N/A SER 54.A N ALA 51.A O no hydrogen 2.877 N/A SER 54.A OG GLY 50.A O no hydrogen 2.826 N/A GLY 57.A N TYR 28.A O no hydrogen 3.222 N/A GLY 57.A N GLY 29.A O no hydrogen 2.915 N/A LYS 58.A N GLY 29.A O no hydrogen 2.880 N/A VAL 60.A N ALA 31.A O no hydrogen 2.948 N/A ILE 61.A N THR 79.A O no hydrogen 2.777 N/A GLY 62.A N LEU 33.A O no hydrogen 2.773 N/A THR 63.A OG1 ALA 35.A O no hydrogen 2.770 N/A THR 63.A OG1 GLY 36.A O no hydrogen 3.026 N/A SER 64.A N GLY 36.A O no hydrogen 3.446 N/A SER 64.A OG GLY 36.A O no hydrogen 3.563 N/A GLU 65.A N ASP 83.A OD1 no hydrogen 2.818 N/A ASN 66.A ND2 ASP 38.A OD2 no hydrogen 3.449 N/A VAL 67.A N SER 64.A O no hydrogen 2.958 N/A LEU 70.A N VAL 67.A O no hydrogen 2.906 N/A ILE 71.A N ILE 68.A O no hydrogen 2.972 N/A VAL 72.A N ILE 68.A O no hydrogen 3.254 N/A VAL 74.A N ILE 71.A O no hydrogen 2.983 N/A LEU 75.A N ILE 71.A O no hydrogen 2.777 N/A ALA 78.A N LEU 75.A O no hydrogen 3.296 N/A THR 79.A N LEU 59.A O no hydrogen 2.936 N/A THR 79.A OG1 LEU 59.A O no hydrogen 3.078 N/A TRP 81.A N ILE 61.A O no hydrogen 3.088 N/A ARG 82.A NH1 GLU 65.A OE2 no hydrogen 2.968 N/A ASP 83.A N THR 63.A O no hydrogen 2.801 N/A TRP 85.A N GLY 62.A O no hydrogen 3.236 N/A TRP 85.A NE1 SER 64.A OG no hydrogen 3.007 N/A LYS 87.A N ASP 83.A O no hydrogen 2.967 N/A LYS 87.A NZ ARG 82.A O no hydrogen 2.670 N/A ALA 88.A N GLY 84.A O no hydrogen 2.897 N/A ALA 89.A N LYS 86.A O no hydrogen 3.095 N/A ASP 90.A N LYS 87.A O no hydrogen 2.920 N/A ARG 98.A N THR 30.A O no hydrogen 2.829 N/A ARG 98.A NH1 THR 27.A O no hydrogen 3.302 N/A ARG 98.A NH2 THR 27.A O no hydrogen 3.057 N/A ARG 98.A NH2 CYS 228.A O no hydrogen 2.919 N/A ILE 100.A N PRO 125.A O no hydrogen 3.053 N/A ALA 101.A N LEU 32.A O no hydrogen 2.926 N/A ILE 102.A N ILE 127.A O no hydrogen 2.804 N/A GLY 103.A N LEU 34.A O no hydrogen 3.005 N/A LEU 106.A N GLY 103.A O no hydrogen 2.873 N/A VAL 112.A N THR 109.A OG1 no hydrogen 3.318 N/A GLN 113.A N THR 109.A O no hydrogen 3.294 N/A GLN 113.A NE2 ALA 132.A O no hydrogen 2.952 N/A GLN 114.A N GLU 110.A O no hydrogen 2.865 N/A ALA 115.A N SER 111.A O no hydrogen 2.977 N/A VAL 116.A N VAL 112.A O no hydrogen 2.867 N/A ASP 117.A N GLN 113.A O no hydrogen 2.922 N/A HIS 118.A N GLN 114.A O no hydrogen 3.172 N/A VAL 119.A N ALA 115.A O no hydrogen 2.840 N/A LEU 120.A N VAL 116.A O no hydrogen 2.957 N/A THR 121.A N HIS 118.A O no hydrogen 3.278 N/A THR 121.A OG1 GLN 92.A OE1 no hydrogen 2.585 N/A THR 121.A OG1 HIS 118.A O no hydrogen 2.965 N/A ALA 122.A N VAL 119.A O no hydrogen 3.002 N/A CYS 124.A SG PRO 125.A O no hydrogen 3.622 N/A VAL 126.A N PRO 144.A O no hydrogen 2.967 N/A ILE 127.A N ILE 100.A O no hydrogen 2.775 N/A LEU 128.A N ILE 146.A O no hydrogen 2.873 N/A ASP 129.A N ILE 102.A O no hydrogen 2.996 N/A GLY 131.A N GLY 103.A O no hydrogen 3.314 N/A ALA 132.A N ASP 129.A O no hydrogen 2.935 N/A LEU 133.A N ALA 130.A O no hydrogen 2.948 N/A ARG 136.A NE THR 137.A O no hydrogen 2.733 N/A ARG 136.A NH1 GLN 113.A OE1 no hydrogen 2.974 N/A ARG 136.A NH1 ASP 117.A OD1 no hydrogen 2.792 N/A ARG 136.A NH2 ASP 117.A OD1 no hydrogen 2.851 N/A ARG 136.A NH2 THR 137.A O no hydrogen 3.083 N/A LYS 140.A NZ ARG 141.A O no hydrogen 2.890 N/A ARG 141.A NE LEU 120.A O no hydrogen 2.605 N/A ARG 141.A NH1 LEU 120.A O no hydrogen 3.392 N/A ARG 141.A NH1 CYS 124.A O no hydrogen 2.965 N/A ARG 141.A NH2 CYS 124.A O no hydrogen 2.917 N/A ARG 141.A NH2 GLY 143.A O no hydrogen 2.901 N/A ILE 146.A N VAL 126.A O no hydrogen 2.840 N/A LEU 147.A N VAL 183.A O no hydrogen 2.909 N/A THR 148.A N LEU 128.A O no hydrogen 3.211 N/A THR 148.A OG1 LEU 128.A O no hydrogen 3.559 N/A HIS 150.A N GLU 153.A OE1 no hydrogen 2.926 N/A PHE 154.A N HIS 150.A O no hydrogen 2.924 N/A PHE 155.A N PRO 151.A O no hydrogen 2.959 N/A ARG 156.A N GLY 152.A O no hydrogen 3.103 N/A ARG 156.A NE LEU 133.A O no hydrogen 3.169 N/A ARG 156.A NH2 LEU 133.A O no hydrogen 2.881 N/A MET 157.A N GLU 153.A O no hydrogen 2.944 N/A THR 158.A N PHE 154.A O no hydrogen 2.980 N/A THR 158.A OG1 PHE 154.A O no hydrogen 2.733 N/A GLY 159.A N PHE 155.A O no hydrogen 2.737 N/A VAL 160.A N THR 158.A OG1 no hydrogen 3.003 N/A GLU 164.A N PRO 161.A O no hydrogen 3.112 N/A LEU 165.A N PRO 161.A O no hydrogen 2.854 N/A GLN 166.A N VAL 162.A O no hydrogen 2.978 N/A LYS 167.A N GLU 164.A O no hydrogen 3.232 N/A LYS 168.A N LEU 165.A O no hydrogen 3.025 N/A ARG 169.A NH1 GLN 166.A OE1 no hydrogen 2.905 N/A ARG 169.A NH1 LYS 187.A O no hydrogen 2.940 N/A ARG 169.A NH2 LEU 186.A O no hydrogen 3.004 N/A ARG 169.A NH2 LYS 187.A O no hydrogen 3.224 N/A ARG 169.A NH2 GLN 190.A O no hydrogen 3.104 N/A GLU 171.A N GLU 171.A OE2 no hydrogen 2.841 N/A TYR 172.A N LYS 168.A O no hydrogen 3.013 N/A ALA 173.A N ARG 169.A O no hydrogen 2.885 N/A LYS 174.A N ALA 170.A O no hydrogen 2.864 N/A LYS 174.A NZ GLY 198.A O no hydrogen 2.687 N/A GLU 175.A N GLU 171.A O no hydrogen 3.085 N/A TRP 176.A N TYR 172.A O no hydrogen 3.042 N/A ALA 177.A N ALA 173.A O no hydrogen 2.951 N/A ALA 178.A N LYS 174.A O no hydrogen 2.989 N/A GLN 179.A N GLU 175.A O no hydrogen 2.949 N/A LEU 180.A N TRP 176.A O no hydrogen 2.846 N/A GLN 181.A N ALA 178.A O no hydrogen 3.340 N/A GLN 181.A NE2 ALA 178.A O no hydrogen 2.797 N/A GLN 181.A NE2 PRO 196.A O no hydrogen 3.008 N/A THR 182.A N ALA 177.A O no hydrogen 3.237 N/A THR 182.A OG1 VAL 183.A O no hydrogen 3.451 N/A VAL 183.A N VAL 145.A O no hydrogen 2.779 N/A ILE 184.A N ALA 194.A O no hydrogen 2.805 N/A VAL 185.A N LEU 147.A O no hydrogen 2.871 N/A LEU 186.A N VAL 192.A O no hydrogen 2.827 N/A LYS 187.A N PRO 149.A O no hydrogen 2.864 N/A LYS 187.A NZ ASP 129.A OD1 no hydrogen 3.407 N/A LYS 187.A NZ THR 148.A O no hydrogen 2.823 N/A THR 191.A OG1 GLY 188.A O no hydrogen 2.771 N/A VAL 192.A N LEU 186.A O no hydrogen 3.007 N/A ILE 193.A N TRP 201.A O no hydrogen 2.821 N/A ALA 194.A N ILE 184.A O no hydrogen 2.811 N/A PHE 195.A N ASP 199.A O no hydrogen 2.866 N/A GLY 198.A N PHE 195.A O no hydrogen 3.007 N/A ASP 199.A N ASP 197.A OD1 no hydrogen 3.014 N/A CYS 200.A SG ILE 193.A O no hydrogen 3.549 N/A TRP 201.A N ILE 193.A O no hydrogen 2.878 N/A LEU 202.A N PRO 5.A O no hydrogen 2.878 N/A ASN 203.A N THR 191.A O no hydrogen 2.901 N/A ASN 203.A ND2 THR 205.A OG1 no hydrogen 3.063 N/A THR 205.A OG1 TYR 242.A O no hydrogen 2.679 N/A GLY 206.A N GLU 249.A OE2 no hydrogen 2.827 N/A ASN 207.A ND2 ALA 248.A O no hydrogen 3.520 N/A ALA 209.A N ASN 207.A OD1 no hydrogen 2.959 N/A LEU 210.A N ASN 207.A O no hydrogen 3.084 N/A ALA 211.A N GLY 208.A O no hydrogen 2.995 N/A LYS 212.A N LEU 210.A O no hydrogen 2.890 N/A LYS 212.A NZ HIS 258.A O no hydrogen 2.744 N/A LYS 212.A NZ LEU 260.A O no hydrogen 2.773 N/A THR 215.A N LYS 212.A O no hydrogen 3.516 N/A THR 215.A OG1 LEU 210.A O no hydrogen 2.724 N/A THR 215.A OG1 LYS 212.A O no hydrogen 3.277 N/A THR 218.A N GLY 214.A O no hydrogen 3.101 N/A THR 218.A OG1 GLY 214.A O no hydrogen 3.306 N/A LEU 219.A N THR 215.A O no hydrogen 3.125 N/A THR 220.A N GLY 216.A O no hydrogen 2.958 N/A THR 220.A OG1 ASP 129.A OD2 no hydrogen 2.667 N/A THR 220.A OG1 GLY 216.A O no hydrogen 3.346 N/A GLY 221.A N ASP 217.A O no hydrogen 3.169 N/A MET 222.A N THR 218.A O no hydrogen 2.854 N/A ILE 223.A N LEU 219.A O no hydrogen 2.839 N/A LEU 224.A N THR 220.A O no hydrogen 3.016 N/A GLY 225.A N GLY 221.A O no hydrogen 3.010 N/A MET 226.A N MET 222.A O no hydrogen 2.952 N/A LEU 227.A N ILE 223.A O no hydrogen 2.877 N/A CYS 228.A N GLY 225.A O no hydrogen 2.942 N/A CYS 228.A SG LEU 224.A O no hydrogen 3.506 N/A CYS 229.A N MET 226.A O no hydrogen 3.212 N/A CYS 229.A SG SER 54.A O no hydrogen 3.508 N/A CYS 229.A SG GLY 225.A O no hydrogen 3.835 N/A CYS 229.A SG MET 226.A O no hydrogen 3.780 N/A CYS 229.A SG HIS 230.A ND1 no hydrogen 3.849 N/A HIS 230.A N MET 226.A O no hydrogen 3.022 N/A HIS 230.A ND1 MET 226.A O no hydrogen 2.955 N/A LYS 234.A N ASP 232.A OD1 no hydrogen 2.974 N/A LYS 234.A NZ ASP 197.A OD1 no hydrogen 3.364 N/A LYS 234.A NZ ASP 197.A OD2 no hydrogen 2.776 N/A LYS 234.A NZ ASP 199.A OD2 no hydrogen 2.426 N/A HIS 235.A N ASP 232.A O no hydrogen 3.031 N/A ALA 236.A N ASP 232.A O no hydrogen 3.213 N/A VAL 237.A N PRO 233.A O no hydrogen 3.139 N/A LEU 238.A N LYS 234.A O no hydrogen 3.049 N/A ASN 239.A N HIS 235.A O no hydrogen 2.829 N/A ASN 239.A ND2 THR 15.A OG1 no hydrogen 2.936 N/A ASN 239.A ND2 HIS 230.A NE2 no hydrogen 3.007 N/A ALA 240.A N ALA 236.A O no hydrogen 2.953 N/A VAL 241.A N VAL 237.A O no hydrogen 3.039 N/A TYR 242.A N LEU 238.A O no hydrogen 2.953 N/A LEU 243.A N ASN 239.A O no hydrogen 2.877 N/A HIS 244.A N ALA 240.A O no hydrogen 2.974 N/A HIS 244.A NE2 THR 215.A O no hydrogen 2.759 N/A GLY 245.A N VAL 241.A O no hydrogen 3.235 N/A ALA 246.A N TYR 242.A O no hydrogen 2.937 N/A CYS 247.A N LEU 243.A O no hydrogen 2.980 N/A CYS 247.A N HIS 244.A O no hydrogen 3.308 N/A CYS 247.A SG LEU 243.A O no hydrogen 3.286 N/A CYS 247.A SG LEU 265.A O no hydrogen 3.610 N/A GLU 249.A N GLY 245.A O no hydrogen 3.117 N/A LEU 250.A N ALA 246.A O no hydrogen 2.992 N/A TRP 251.A N CYS 247.A O no hydrogen 3.077 N/A TRP 251.A NE1 SER 256.A O no hydrogen 3.150 N/A THR 252.A N ALA 248.A O no hydrogen 3.177 N/A THR 252.A OG1 ALA 248.A O no hydrogen 3.337 N/A THR 252.A OG1 GLU 249.A O no hydrogen 3.085 N/A ASP 253.A N LEU 250.A O no hydrogen 3.192 N/A GLU 254.A N TRP 251.A O no hydrogen 3.440 N/A HIS 255.A N TRP 251.A O no hydrogen 2.958 N/A HIS 255.A ND1 TRP 251.A O no hydrogen 2.796 N/A HIS 258.A N SER 256.A OG no hydrogen 3.187 N/A THR 259.A N SER 256.A O no hydrogen 3.090 N/A THR 259.A OG1 SER 256.A O no hydrogen 2.784 N/A LEU 261.A N GLU 264.A OE1 no hydrogen 3.050 N/A GLU 264.A N LEU 261.A O no hydrogen 2.887 N/A LEU 265.A N ALA 262.A O no hydrogen 2.852 N/A ILE 268.A N GLU 264.A O no hydrogen 2.979 N/A ILE 268.A N LEU 265.A O no hydrogen 3.224 N/A LEU 269.A N LEU 265.A O no hydrogen 2.984 N/A ARG 271.A N ILE 268.A O no hydrogen 3.183 N/A VAL 272.A N ILE 268.A O no hydrogen 3.143 N/A TRP 273.A N LEU 269.A O no hydrogen 2.847 N/A LYS 274.A N PRO 270.A O no hydrogen 3.381 N/A ARG 275.A N ARG 271.A O no hydrogen 3.422 N/A ARG 275.A N VAL 272.A O no hydrogen 3.093 N/A PHE 276.A N TRP 273.A O no hydrogen 2.930 N/A GLU 277.A N LYS 274.A O no hydrogen 3.126 N/A