Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4jdi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A NE2 ASP 90.A OD1 no hydrogen 2.506 N/A PHE 5.A N SER 1.A O no hydrogen 3.039 N/A ARG 6.A N HIS 2.A O no hydrogen 2.893 N/A ARG 6.A NE GLY 89.A O no hydrogen 2.700 N/A ARG 6.A NH2 GLY 89.A O no hydrogen 2.929 N/A ALA 7.A N GLU 3.A O no hydrogen 3.146 N/A ALA 8.A N GLN 4.A O no hydrogen 3.224 N/A LEU 9.A N PHE 5.A O no hydrogen 2.977 N/A GLN 10.A N ARG 6.A O no hydrogen 3.036 N/A GLN 10.A NE2 GLN 10.A O no hydrogen 3.160 N/A LEU 11.A N ALA 8.A O no hydrogen 3.158 N/A VAL 12.A N LEU 9.A O no hydrogen 2.952 N/A VAL 13.A N LEU 9.A O no hydrogen 3.052 N/A ASP 14.A N SER 85.A O no hydrogen 2.813 N/A ARG 19.A N ASP 17.A OD1 no hydrogen 3.058 N/A ARG 19.A NE ASP 17.A OD1 no hydrogen 2.997 N/A ARG 19.A NE ASP 17.A OD2 no hydrogen 3.232 N/A ARG 19.A NH2 ASP 17.A OD2 no hydrogen 2.739 N/A SER 20.A N ASP 17.A O no hydrogen 3.061 N/A SER 20.A OG ASP 17.A O no hydrogen 2.748 N/A TYR 21.A N PRO 18.A O no hydrogen 3.060 N/A TYR 21.A OH TYR 86.A OH no hydrogen 2.663 N/A LEU 22.A N PRO 18.A O no hydrogen 3.053 N/A ASP 23.A N THR 40.A O no hydrogen 2.764 N/A ILE 26.A N ILE 38.A O no hydrogen 2.950 N/A ILE 28.A N VAL 36.A O no hydrogen 2.757 N/A GLY 29.A N VAL 36.A O no hydrogen 3.049 N/A GLY 31.A N GLY 34.A O no hydrogen 2.709 N/A ILE 35.A N LYS 52.A O no hydrogen 2.988 N/A VAL 36.A N GLY 29.A O no hydrogen 2.932 N/A CYS 37.A N VAL 50.A O no hydrogen 2.907 N/A ILE 38.A N ILE 26.A O no hydrogen 2.817 N/A ALA 39.A N VAL 48.A O no hydrogen 2.976 N/A THR 40.A N ASP 23.A O no hydrogen 2.842 N/A VAL 41.A N LYS 46.A O no hydrogen 2.778 N/A ARG 42.A N TYR 21.A O no hydrogen 3.055 N/A ARG 42.A NE ASP 23.A OD1 no hydrogen 3.024 N/A ARG 42.A NE ASP 23.A OD2 no hydrogen 2.970 N/A ARG 42.A NH1 SER 20.A O no hydrogen 2.789 N/A ARG 42.A NH2 SER 20.A O no hydrogen 3.532 N/A ARG 42.A NH2 ASP 23.A OD1 no hydrogen 2.923 N/A SER 44.A N VAL 41.A O no hydrogen 3.252 N/A GLY 45.A N VAL 41.A O no hydrogen 2.687 N/A LYS 46.A N SER 44.A OG no hydrogen 3.103 N/A VAL 48.A N ALA 39.A O no hydrogen 2.978 N/A ALA 49.A N MET 96.A O no hydrogen 2.838 N/A VAL 50.A N CYS 37.A O no hydrogen 2.790 N/A LYS 51.A N VAL 94.A O no hydrogen 2.909 N/A LYS 51.A NZ GLU 67.A OE2 no hydrogen 2.737 N/A LYS 52.A N ILE 35.A O no hydrogen 2.814 N/A MET 53.A N LEU 92.A O no hydrogen 2.798 N/A LEU 55.A N ASP 90.A O no hydrogen 3.009 N/A ARG 56.A N ASP 54.A OD1 no hydrogen 2.854 N/A ARG 56.A NE ASP 54.A OD1 no hydrogen 2.960 N/A ARG 56.A NH2 ASP 54.A OD2 no hydrogen 2.717 N/A LYS 57.A N ASP 54.A O no hydrogen 3.144 N/A GLN 58.A NE2 THR 33.A O no hydrogen 2.972 N/A GLN 58.A NE2 ASP 54.A O no hydrogen 2.826 N/A ARG 60.A NE GLU 62.A OE2 no hydrogen 3.232 N/A ARG 61.A NH2 SER 1.A OG.A no hydrogen 3.400 N/A ARG 61.A NH2 SER 1.A OG.B no hydrogen 3.173 N/A GLU 62.A N GLU 62.A OE1 no hydrogen 2.860 N/A LEU 63.A N.A ARG 60.A O no hydrogen 3.009 N/A LEU 63.A N.B ARG 60.A O no hydrogen 3.012 N/A LEU 64.A N ARG 61.A O no hydrogen 2.937 N/A PHE 65.A N GLU 62.A O no hydrogen 3.279 N/A ASN 66.A N LEU 63.A O.A no hydrogen 2.874 N/A ASN 66.A N LEU 63.A O.B no hydrogen 2.992 N/A ASN 66.A ND2 GLY 161.A O no hydrogen 3.196 N/A ASN 66.A ND2 CYS 163.A O no hydrogen 3.103 N/A GLU 67.A N LEU 64.A O no hydrogen 2.894 N/A VAL 68.A N LEU 64.A O no hydrogen 3.370 N/A VAL 68.A N PHE 65.A O no hydrogen 3.290 N/A VAL 69.A N PHE 65.A O no hydrogen 3.216 N/A ILE 70.A N ASN 66.A O no hydrogen 3.088 N/A ARG 72.A NE ASP 73.A OD1 no hydrogen 2.901 N/A ARG 72.A NE ASP 73.A OD2 no hydrogen 3.368 N/A ASP 73.A N VAL 69.A O no hydrogen 3.073 N/A ASP 73.A N ILE 70.A O no hydrogen 3.162 N/A TYR 74.A N ILE 70.A O no hydrogen 2.884 N/A GLN 75.A NE2 ARG 72.A O no hydrogen 3.155 N/A ASN 78.A N HIS 76.A ND1 no hydrogen 2.988 N/A ASN 78.A ND2 VAL 155.A O no hydrogen 2.934 N/A VAL 79.A N HIS 76.A O no hydrogen 3.073 N/A VAL 80.A N LEU 157.A O no hydrogen 2.995 N/A GLU 81.A N GLU 97.A OE1 no hydrogen 2.940 N/A TYR 83.A N VAL 95.A O no hydrogen 2.789 N/A ASN 84.A N VAL 95.A O no hydrogen 3.237 N/A ASN 84.A ND2 ASP 14.A OD2 no hydrogen 2.952 N/A SER 85.A N ASP 14.A OD2 no hydrogen 3.071 N/A TYR 86.A N TRP 93.A O no hydrogen 2.825 N/A TYR 86.A OH TYR 21.A OH no hydrogen 2.663 N/A VAL 88.A N GLU 91.A O no hydrogen 2.813 N/A GLU 91.A N VAL 88.A O no hydrogen 2.915 N/A LEU 92.A N MET 53.A O no hydrogen 2.750 N/A TRP 93.A N TYR 86.A O no hydrogen 2.891 N/A TRP 93.A NE1 GLU 91.A OE1 no hydrogen 2.766 N/A VAL 94.A N LYS 51.A O no hydrogen 2.881 N/A VAL 95.A N ASN 84.A O no hydrogen 2.847 N/A MET 96.A N ALA 49.A O no hydrogen 2.784 N/A GLU 97.A N GLU 81.A O no hydrogen 2.954 N/A GLY 101.A N LEU 149.A O.A no hydrogen 2.873 N/A GLY 101.A N LEU 149.A O.B no hydrogen 2.867 N/A GLY 102.A N LEU 99.A O no hydrogen 3.096 N/A LEU 104.A N ILE 147.A O no hydrogen 2.839 N/A THR 105.A OG1 SER 144.A OG no hydrogen 2.792 N/A ASP 106.A N ALA 103.A O no hydrogen 3.187 N/A ILE 107.A N LEU 104.A O no hydrogen 3.023 N/A VAL 108.A N LEU 104.A O no hydrogen 3.003 N/A THR 109.A N THR 105.A O no hydrogen 3.038 N/A THR 109.A OG1 THR 105.A O no hydrogen 2.967 N/A THR 109.A OG1 HIS 110.A ND1 no hydrogen 3.178 N/A HIS 110.A N ILE 107.A O no hydrogen 3.100 N/A HIS 110.A ND1 ASP 106.A O no hydrogen 3.009 N/A THR 111.A N ILE 107.A O no hydrogen 2.829 N/A THR 111.A OG1 ILE 107.A O no hydrogen 3.192 N/A ASN 114.A N GLN 117.A OE1 no hydrogen 2.963 N/A GLN 117.A N ASN 114.A OD1 no hydrogen 2.975 N/A GLN 117.A NE2 SER 280.A O no hydrogen 2.777 N/A ILE 118.A N ASN 114.A O no hydrogen 2.995 N/A ALA 119.A N GLU 115.A O no hydrogen 2.920 N/A ALA 120.A N GLU 116.A O no hydrogen 3.059 N/A VAL 121.A N GLN 117.A O no hydrogen 3.004 N/A CYS 122.A N ILE 118.A O no hydrogen 2.875 N/A CYS 122.A SG ILE 118.A O no hydrogen 3.370 N/A LEU 123.A N ALA 119.A O no hydrogen 2.769 N/A ALA 124.A N ALA 120.A O no hydrogen 3.131 N/A VAL 125.A N VAL 121.A O no hydrogen 2.988 N/A LEU 126.A N CYS 122.A O no hydrogen 2.861 N/A GLN 127.A N LEU 123.A O no hydrogen 2.947 N/A ALA 128.A N ALA 124.A O no hydrogen 3.233 N/A LEU 129.A N VAL 125.A O no hydrogen 2.887 N/A SER 130.A N LEU 126.A O no hydrogen 2.822 N/A SER 130.A OG LEU 126.A O no hydrogen 3.299 N/A SER 130.A OG GLN 127.A O no hydrogen 2.801 N/A VAL 131.A N GLN 127.A O no hydrogen 3.376 N/A LEU 132.A N ALA 128.A O no hydrogen 2.940 N/A HIS 133.A N LEU 129.A O no hydrogen 2.703 N/A HIS 133.A NE2 ASP 197.A OD2 no hydrogen 2.810 N/A ALA 134.A N SER 130.A O no hydrogen 3.125 N/A GLN 135.A N LEU 132.A O no hydrogen 3.016 N/A GLY 136.A N HIS 133.A O no hydrogen 2.987 N/A VAL 137.A N LEU 132.A O no hydrogen 2.935 N/A ILE 138.A N ALA 164.A O no hydrogen 2.829 N/A HIS 139.A N ASP 197.A OD2 no hydrogen 2.815 N/A HIS 139.A NE2 SER 158.A O no hydrogen 2.773 N/A ARG 140.A N ASP 197.A OD1 no hydrogen 2.844 N/A ARG 140.A NE PHE 162.A O no hydrogen 2.823 N/A ARG 140.A NH1 TYR 192.A OH no hydrogen 2.899 N/A ARG 140.A NH2 PHE 162.A O no hydrogen 3.178 N/A ASP 141.A N HIS 139.A ND1 no hydrogen 3.036 N/A LYS 143.A NZ THR 178.A OG1 no hydrogen 2.820 N/A SER 144.A N GLU 207.A OE1 no hydrogen 2.947 N/A SER 144.A OG THR 105.A OG1 no hydrogen 2.792 N/A SER 144.A OG ASP 145.A OD1 no hydrogen 3.532 N/A SER 144.A OG GLU 207.A OE1 no hydrogen 3.491 N/A SER 144.A OG GLU 207.A OE2 no hydrogen 2.538 N/A SER 146.A N LYS 143.A O no hydrogen 2.956 N/A SER 146.A OG ASP 141.A O no hydrogen 2.740 N/A ILE 147.A N SER 144.A O no hydrogen 3.163 N/A LEU 148.A N LYS 156.A O no hydrogen 2.886 N/A LEU 149.A N.A GLY 102.A O no hydrogen 2.915 N/A LEU 149.A N.B GLY 102.A O no hydrogen 2.909 N/A THR 150.A N ARG 154.A O no hydrogen 3.015 N/A THR 150.A OG1 ASP 152.A OD1 no hydrogen 2.472 N/A HIS 151.A N GLU 100.A OE1 no hydrogen 2.701 N/A GLY 153.A N THR 150.A O no hydrogen 3.118 N/A ARG 154.A N THR 150.A OG1 no hydrogen 2.934 N/A LYS 156.A N LEU 148.A O no hydrogen 2.800 N/A LYS 156.A NZ GLU 97.A OE1 no hydrogen 3.352 N/A LYS 156.A NZ GLU 97.A OE2 no hydrogen 2.785 N/A LEU 157.A N ASN 78.A O no hydrogen 2.738 N/A SER 158.A N SER 146.A O no hydrogen 2.875 N/A SER 158.A OG SER 146.A O no hydrogen 2.853 N/A GLY 161.A N ASP 159.A OD1 no hydrogen 3.428 N/A CYS 163.A N PHE 160.A O no hydrogen 3.103 N/A CYS 163.A SG PHE 160.A O no hydrogen 3.189 N/A ALA 164.A N ILE 138.A O no hydrogen 3.021 N/A VAL 166.A N GLY 136.A O no hydrogen 2.727 N/A SER 167.A N VAL 170.A O no hydrogen 2.943 N/A SER 167.A OG GLU 169.A OE1 no hydrogen 3.561 N/A VAL 170.A N SER 167.A OG no hydrogen 3.272 N/A ARG 172.A NH1 GLU 195.A OE1 no hydrogen 3.122 N/A ARG 172.A NH1 GLU 195.A OE2 no hydrogen 3.168 N/A ARG 172.A NH2 GLU 195.A OE1 no hydrogen 2.761 N/A ARG 173.A N TYR 192.A O no hydrogen 2.782 N/A ARG 173.A NH1 GLN 165.A O no hydrogen 2.980 N/A THR 178.A OG1 ASP 141.A OD1 no hydrogen 2.700 N/A TYR 180.A OH GLU 218.A O no hydrogen 2.706 N/A TRP 181.A N THR 178.A O no hydrogen 2.790 N/A TRP 181.A NE1 GLU 207.A OE1 no hydrogen 2.762 N/A MET 182.A N PRO 179.A O no hydrogen 3.243 N/A GLU 185.A N GLU 185.A OE1 no hydrogen 2.684 N/A ILE 187.A N ALA 183.A O no hydrogen 3.006 N/A SER 188.A N PRO 184.A O no hydrogen 2.850 N/A SER 188.A OG PRO 184.A O no hydrogen 2.832 N/A ARG 189.A N LEU 186.A O no hydrogen 3.033 N/A ARG 189.A NH2 LYS 174.A O no hydrogen 2.772 N/A LEU 190.A N GLU 185.A O no hydrogen 2.933 N/A TYR 192.A N ARG 173.A O no hydrogen 2.879 N/A GLU 195.A N GLU 195.A OE2 no hydrogen 2.839 N/A VAL 196.A N GLY 193.A O no hydrogen 3.207 N/A ASP 197.A N PRO 194.A O no hydrogen 3.058 N/A ILE 198.A N GLU 195.A O no hydrogen 3.005 N/A TRP 199.A N GLU 195.A O no hydrogen 3.273 N/A SER 200.A N VAL 196.A O no hydrogen 3.045 N/A SER 200.A OG TRP 181.A O no hydrogen 2.731 N/A SER 200.A OG VAL 196.A O no hydrogen 3.149 N/A LEU 201.A N ASP 197.A O no hydrogen 2.897 N/A GLY 202.A N ILE 198.A O no hydrogen 3.021 N/A ILE 203.A N TRP 199.A O no hydrogen 3.082 N/A MET 204.A N SER 200.A O no hydrogen 2.955 N/A VAL 205.A N LEU 201.A O no hydrogen 2.885 N/A ILE 206.A N GLY 202.A O no hydrogen 3.131 N/A GLU 207.A N ILE 203.A O no hydrogen 2.939 N/A MET 208.A N MET 204.A O no hydrogen 2.873 N/A VAL 209.A N VAL 205.A O no hydrogen 2.994 N/A ASP 210.A N ILE 206.A O no hydrogen 2.695 N/A GLY 211.A N GLU 207.A O no hydrogen 2.760 N/A GLU 218.A N TYR 215.A O no hydrogen 2.909 N/A ALA 223.A N PRO 219.A O no hydrogen 2.903 N/A MET 224.A N PRO 220.A O no hydrogen 2.896 N/A LYS 225.A N LEU 221.A O no hydrogen 3.115 N/A MET 226.A N LYS 222.A O no hydrogen 3.053 N/A ILE 227.A N ALA 223.A O no hydrogen 2.861 N/A ARG 228.A N MET 224.A O no hydrogen 2.834 N/A ARG 228.A NE ASP 229.A OD1 no hydrogen 2.982 N/A ARG 228.A NH2 ASP 229.A OD2 no hydrogen 3.137 N/A ASP 229.A N LYS 225.A O no hydrogen 2.902 N/A ASN 230.A N MET 226.A O no hydrogen 2.889 N/A LYS 236.A N ASP 210.A OD2 no hydrogen 2.771 N/A LYS 240.A N ASN 237.A O no hydrogen 2.958 N/A VAL 241.A N LEU 238.A O no hydrogen 3.238 N/A SER 242.A N GLU 115.A OE2 no hydrogen 2.847 N/A SER 242.A OG GLU 115.A OE1 no hydrogen 2.592 N/A SER 242.A OG GLU 115.A OE2 no hydrogen 3.431 N/A LEU 245.A N.A SER 242.A OG no hydrogen 3.141 N/A LEU 245.A N.B SER 242.A OG no hydrogen 3.143 N/A LYS 246.A N SER 242.A O no hydrogen 2.936 N/A LYS 246.A NZ ASP 250.A OD1 no hydrogen 3.091 N/A LYS 246.A NZ ASP 250.A OD2 no hydrogen 3.336 N/A GLY 247.A N PRO 243.A O no hydrogen 2.852 N/A PHE 248.A N SER 244.A O no hydrogen 2.990 N/A LEU 249.A N LEU 245.A O.A no hydrogen 3.019 N/A LEU 249.A N LEU 245.A O.B no hydrogen 2.832 N/A ASP 250.A N LYS 246.A O no hydrogen 2.915 N/A ARG 251.A N PHE 248.A O no hydrogen 2.877 N/A ARG 251.A NH1 GLN 259.A O no hydrogen 3.098 N/A ARG 251.A NH2 GLN 259.A O no hydrogen 3.377 N/A LEU 252.A N LEU 249.A O no hydrogen 3.014 N/A LEU 253.A N LEU 249.A O no hydrogen 2.977 N/A ARG 255.A NH1 ILE 227.A O no hydrogen 2.718 N/A ARG 255.A NH2 ARG 228.A O no hydrogen 2.310 N/A ALA 258.A N ASP 256.A OD1 no hydrogen 3.068 N/A GLN 259.A N ASP 256.A O no hydrogen 2.851 N/A ARG 260.A N ASP 256.A O no hydrogen 3.245 N/A ARG 260.A NE VAL 254.A O no hydrogen 2.852 N/A ARG 260.A NH1 GLU 185.A OE2 no hydrogen 2.802 N/A ARG 260.A NH1 GLU 195.A O no hydrogen 2.942 N/A ARG 260.A NH2 GLU 185.A OE1 no hydrogen 2.923 N/A ARG 260.A NH2 GLU 185.A OE2 no hydrogen 3.514 N/A ARG 260.A NH2 VAL 254.A O no hydrogen 2.899 N/A ALA 261.A N ARG 251.A O no hydrogen 3.074 N/A THR 262.A N GLU 265.A OE1 no hydrogen 2.905 N/A GLU 265.A N THR 262.A OG1 no hydrogen 3.120 N/A LEU 266.A N THR 262.A O no hydrogen 2.949 N/A LEU 267.A N ALA 263.A O no hydrogen 3.100 N/A LYS 268.A N GLU 265.A O no hydrogen 3.111 N/A HIS 269.A N LEU 266.A O no hydrogen 2.945 N/A PHE 271.A N HIS 269.A ND1 no hydrogen 2.995 N/A LEU 272.A N HIS 269.A O no hydrogen 3.054 N/A ALA 273.A N PRO 270.A O no hydrogen 3.064 N/A LYS 274.A N PHE 271.A O no hydrogen 3.186 N/A LYS 274.A NZ GLU 115.A OE1 no hydrogen 3.084 N/A LYS 274.A NZ SER 242.A OG no hydrogen 3.183 N/A ALA 275.A N LEU 272.A O no hydrogen 3.061 N/A GLY 276.A N GLU 116.A O no hydrogen 3.108 N/A SER 280.A N PRO 277.A O no hydrogen 2.970 N/A SER 280.A OG PRO 277.A O no hydrogen 2.841 N/A ILE 281.A N PRO 278.A O no hydrogen 2.955 N/A VAL 282.A N ALA 279.A O no hydrogen 3.205 N/A LEU 284.A N ILE 281.A O no hydrogen 3.033 N/A MET 285.A N VAL 282.A O no hydrogen 3.259 N/A ARG 286.A NE ASP 106.A OD2 no hydrogen 3.215 N/A ARG 286.A NH2 ASP 106.A OD1 no hydrogen 2.879 N/A GLN 287.A N GLN 287.A OE1 no hydrogen 2.840 N/A ASN 288.A N MET 285.A O no hydrogen 2.882 N/A ASN 288.A ND2 VAL 282.A O no hydrogen 2.929 N/A ARG 289.A N MET 285.A O no hydrogen 3.029 N/A ARG 289.A NH1 ASP 106.A OD2 no hydrogen 3.179 N/A ARG 289.A NH2 ASP 106.A OD2 no hydrogen 3.560 N/A ARG 289.A NH2 LEU 284.A O no hydrogen 2.884 N/A