Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3fjy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N HIS 89.A O no hydrogen 2.877 N/A ALA 4.A N GLY 54.A O no hydrogen 2.881 N/A GLY 5.A N LEU 91.A O no hydrogen 2.995 N/A GLY 6.A N PRO 52.A O no hydrogen 3.142 N/A ILE 7.A N TRP 93.A O no hydrogen 2.895 N/A TRP 9.A N ALA 94.A O no hydrogen 2.941 N/A ARG 10.A N GLU 37.A O no hydrogen 3.055 N/A ARG 10.A NE GLU 37.A OE1 no hydrogen 2.915 N/A ARG 10.A NH2 GLU 37.A OE1 no hydrogen 3.135 N/A LYS 12.A N SER 35.A O no hydrogen 2.671 N/A SER 15.A N LYS 12.A O no hydrogen 3.103 N/A SER 15.A OG LYS 12.A O no hydrogen 2.921 N/A ALA 18.A N SER 15.A OG no hydrogen 3.266 N/A ASN 19.A N SER 15.A O no hydrogen 3.181 N/A ASN 19.A ND2 GLY 14.A O no hydrogen 3.235 N/A ASP 20.A N ASP 16.A O no hydrogen 3.261 N/A ASP 20.A N ILE 17.A O no hydrogen 3.156 N/A ILE 23.A N ASP 20.A O no hydrogen 3.048 N/A ALA 24.A N PRO 21.A O no hydrogen 2.829 N/A SER 26.A N ILE 23.A O no hydrogen 2.934 N/A SER 26.A OG ILE 23.A O no hydrogen 2.770 N/A LYS 27.A N ALA 24.A O no hydrogen 2.977 N/A SER 28.A N GLU 31.A OE2 no hydrogen 2.757 N/A GLU 31.A N SER 28.A OG no hydrogen 3.211 N/A GLN 32.A N SER 28.A O no hydrogen 3.011 N/A GLN 32.A NE2 LYS 27.A O no hydrogen 3.180 N/A LEU 33.A N ALA 29.A O no hydrogen 2.724 N/A ASP 34.A N GLN 30.A O no hydrogen 2.795 N/A SER 35.A N GLN 32.A O no hydrogen 2.805 N/A SER 35.A OG GLU 31.A O no hydrogen 2.619 N/A ILE 36.A N LEU 33.A O no hydrogen 3.313 N/A GLU 37.A N ARG 10.A O no hydrogen 2.995 N/A VAL 38.A N VAL 126.A O no hydrogen 2.741 N/A CYS 39.A N VAL 8.A O no hydrogen 2.876 N/A CYS 39.A SG VAL 124.A O no hydrogen 3.922 N/A ILE 40.A N VAL 124.A O no hydrogen 2.896 N/A VAL 41.A N SER 50.A O no hydrogen 3.013 N/A HIS 42.A N ASP 122.A O no hydrogen 2.899 N/A HIS 42.A ND1 ASN 121.A OD1 no hydrogen 2.602 N/A HIS 42.A NE2 ASP 47.A OD1 no hydrogen 2.724 N/A ARG 43.A N ASP 48.A O no hydrogen 3.093 N/A ARG 43.A NE ASP 48.A OD1 no hydrogen 3.274 N/A ARG 43.A NE ASP 48.A OD2 no hydrogen 3.416 N/A ARG 43.A NH2 ASP 48.A OD2 no hydrogen 2.771 N/A ASP 48.A N ARG 43.A O no hydrogen 3.415 N/A TRP 49.A N SER 136.A OG no hydrogen 2.669 N/A SER 50.A N VAL 41.A O no hydrogen 3.082 N/A SER 50.A OG TRP 51.A O no hydrogen 3.306 N/A TRP 51.A NE1 ASP 140.A O no hydrogen 2.935 N/A LYS 53.A N GLU 73.A OE1 no hydrogen 3.023 N/A GLY 54.A N ALA 4.A O no hydrogen 2.998 N/A LEU 56.A N GLU 2.A O no hydrogen 2.963 N/A GLU 57.A N GLU 60.A OE1 no hydrogen 2.699 N/A GLU 60.A N GLU 57.A O no hydrogen 3.181 N/A THR 61.A OG1 GLU 197.A OE1 no hydrogen 2.661 N/A THR 61.A OG1 GLU 197.A OE2 no hydrogen 3.458 N/A HIS 62.A NE2 GLU 2.A OE1 no hydrogen 2.797 N/A ARG 63.A NH1 GLU 197.A OE1 no hydrogen 2.889 N/A HIS 64.A N THR 61.A OG1 no hydrogen 3.202 N/A HIS 64.A ND1 ARG 196.A O no hydrogen 3.309 N/A ALA 65.A N THR 61.A O no hydrogen 2.941 N/A ALA 66.A N HIS 62.A O no hydrogen 2.797 N/A VAL 67.A N ARG 63.A O no hydrogen 3.190 N/A ARG 68.A N HIS 64.A O no hydrogen 3.004 N/A ARG 68.A NE GLU 60.A OE2 no hydrogen 2.763 N/A ARG 68.A NH1 GLU 69.A OE2 no hydrogen 2.884 N/A ARG 68.A NH1 GLU 72.A OE2 no hydrogen 2.794 N/A ARG 68.A NH2 LYS 55.A O no hydrogen 3.070 N/A ARG 68.A NH2 GLU 60.A OE1 no hydrogen 2.932 N/A ARG 68.A NH2 GLU 69.A OE2 no hydrogen 3.201 N/A GLU 69.A N ALA 65.A O no hydrogen 2.796 N/A ILE 70.A N ALA 66.A O no hydrogen 3.048 N/A GLY 71.A N VAL 67.A O no hydrogen 3.047 N/A GLU 72.A N ARG 68.A O no hydrogen 2.804 N/A GLU 73.A N GLU 69.A O no hydrogen 2.910 N/A THR 74.A N ILE 70.A O no hydrogen 2.812 N/A THR 74.A OG1 ILE 70.A O no hydrogen 2.628 N/A GLY 75.A N GLY 71.A O no hydrogen 2.881 N/A SER 76.A N THR 74.A OG1 no hydrogen 3.014 N/A LYS 79.A N GLN 95.A O no hydrogen 2.938 N/A LEU 80.A N CYS 200.A O no hydrogen 2.826 N/A TYR 83.A N ASP 317.A OD2 no hydrogen 3.136 N/A LEU 84.A N TYR 92.A O no hydrogen 2.872 N/A CYS 85.A N TYR 92.A O no hydrogen 3.320 N/A CYS 85.A SG THR 143.A OG1 no hydrogen 3.599 N/A VAL 87.A N THR 90.A O no hydrogen 2.718 N/A HIS 89.A N LEU 1.A O no hydrogen 3.231 N/A THR 90.A N VAL 87.A O no hydrogen 2.908 N/A LEU 91.A N ALA 3.A O no hydrogen 3.157 N/A TYR 92.A N CYS 85.A O no hydrogen 2.689 N/A TRP 93.A N GLY 5.A O no hydrogen 3.159 N/A TRP 93.A NE1 GLN 319.A OE1 no hydrogen 2.786 N/A GLN 95.A N LYS 79.A O no hydrogen 3.083 N/A ILE 97.A N PRO 77.A O no hydrogen 2.998 N/A ASP 101.A N SER 98.A OG no hydrogen 2.996 N/A ALA 102.A N SER 98.A O no hydrogen 2.946 N/A GLU 103.A N ALA 99.A O no hydrogen 3.034 N/A HIS 104.A N ASP 100.A O no hydrogen 3.231 N/A HIS 104.A ND1 THR 225.A O no hydrogen 2.984 N/A LEU 105.A N ALA 102.A O no hydrogen 3.044 N/A LEU 106.A N GLU 103.A O no hydrogen 3.166 N/A PHE 109.A N LEU 105.A O no hydrogen 2.714 N/A GLY 110.A N LEU 106.A O no hydrogen 2.868 N/A ALA 115.A N GLU 72.A O no hydrogen 2.867 N/A GLY 118.A N ASP 116.A OD1 no hydrogen 2.845 N/A GLU 119.A N ASP 116.A O no hydrogen 2.723 N/A ILE 120.A N ASP 116.A O no hydrogen 3.242 N/A ASN 121.A N HIS 42.A O no hydrogen 2.992 N/A VAL 124.A N ILE 40.A O no hydrogen 2.860 N/A VAL 126.A N VAL 38.A O no hydrogen 3.083 N/A ARG 129.A NH1 ASP 34.A OD1 no hydrogen 2.943 N/A ARG 129.A NH2 ASP 34.A OD1 no hydrogen 3.398 N/A GLU 130.A N SER 127.A OG no hydrogen 3.221 N/A ALA 131.A N SER 127.A O no hydrogen 2.881 N/A ARG 132.A N VAL 128.A O no hydrogen 3.217 N/A LYS 133.A N ARG 129.A O no hydrogen 3.399 N/A ILE 134.A N GLU 130.A O no hydrogen 2.871 N/A LEU 135.A N ALA 131.A O no hydrogen 3.112 N/A SER 136.A N TRP 49.A O no hydrogen 2.818 N/A SER 136.A OG TRP 49.A O no hydrogen 3.312 N/A ASP 140.A N HIS 137.A O no hydrogen 3.055 N/A LYS 141.A N HIS 137.A O no hydrogen 3.365 N/A LYS 141.A NZ ARG 132.A O no hydrogen 3.185 N/A ASP 142.A N SER 138.A O no hydrogen 2.948 N/A THR 143.A N THR 139.A O no hydrogen 3.181 N/A THR 143.A OG1 THR 139.A O no hydrogen 3.277 N/A LEU 144.A N ASP 140.A O no hydrogen 2.958 N/A ALA 145.A N LYS 141.A O no hydrogen 3.001 N/A VAL 146.A N ASP 142.A O no hydrogen 3.023 N/A PHE 147.A N THR 143.A O no hydrogen 2.922 N/A VAL 148.A N LEU 144.A O no hydrogen 2.896 N/A ASP 149.A N ALA 145.A O no hydrogen 3.084 N/A ARG 150.A N VAL 146.A O no hydrogen 2.984 N/A ARG 150.A NE TYR 83.A O no hydrogen 3.203 N/A ARG 150.A NH1 ILE 316.A O no hydrogen 2.960 N/A ARG 150.A NH2 TYR 83.A O no hydrogen 2.956 N/A ARG 150.A NH2 ASP 317.A OD1 no hydrogen 3.158 N/A VAL 151.A N PHE 147.A O no hydrogen 3.074 N/A GLN 152.A N VAL 148.A O no hydrogen 2.932 N/A GLU 153.A N ASP 149.A O no hydrogen 2.939 N/A GLY 154.A N VAL 151.A O no hydrogen 2.769 N/A ALA 155.A N ARG 150.A O no hydrogen 2.835 N/A THR 157.A N GLY 154.A O no hydrogen 3.154 N/A THR 157.A OG1 GLY 154.A O no hydrogen 2.862 N/A ALA 158.A N ALA 155.A O no hydrogen 3.204 N/A GLN 159.A N ILE 306.A O no hydrogen 2.876 N/A GLN 159.A NE2 THR 157.A O no hydrogen 3.498 N/A LEU 161.A N LEU 304.A O no hydrogen 2.883 N/A LEU 162.A N THR 264.A O no hydrogen 2.722 N/A VAL 164.A N ILE 266.A O no hydrogen 2.943 N/A ARG 165.A N THR 301.A O no hydrogen 3.095 N/A HIS 166.A ND1 ALA 167.A O no hydrogen 2.619 N/A ALA 167.A N THR 217.A OG1 no hydrogen 2.817 N/A GLU 170.A N PRO 183.A O no hydrogen 2.944 N/A SER 171.A OG SER 174.A OG no hydrogen 2.942 N/A SER 174.A N SER 171.A OG no hydrogen 3.265 N/A SER 174.A OG SER 171.A OG no hydrogen 2.942 N/A TRP 175.A N SER 171.A O no hydrogen 3.055 N/A TRP 175.A NE1 THR 178.A O no hydrogen 2.873 N/A TRP 175.A NE1 ASN 181.A OD1 no hydrogen 2.987 N/A ASN 181.A N THR 178.A O no hydrogen 3.268 N/A ASN 181.A N THR 178.A OG1 no hydrogen 3.270 N/A ARG 182.A N ASP 179.A O no hydrogen 3.255 N/A ARG 182.A NE GLU 170.A O no hydrogen 2.629 N/A ARG 182.A NH1 ASP 179.A OD1 no hydrogen 2.766 N/A ARG 182.A NH2 GLU 170.A O no hydrogen 3.212 N/A ILE 184.A N GLU 216.A OE1 no hydrogen 3.055 N/A THR 185.A N LYS 168.A O no hydrogen 2.810 N/A THR 185.A OG1 LYS 168.A O no hydrogen 3.455 N/A GLY 188.A N THR 185.A OG1 no hydrogen 3.133 N/A ALA 189.A N THR 185.A O no hydrogen 2.903 N/A ALA 190.A N PRO 186.A O no hydrogen 3.203 N/A PHE 192.A N ALA 189.A O no hydrogen 2.883 N/A ALA 193.A N ALA 190.A O no hydrogen 2.907 N/A LEU 194.A N ALA 191.A O no hydrogen 3.214 N/A ASN 195.A N PHE 192.A O no hydrogen 3.273 N/A GLU 197.A N LEU 194.A O no hydrogen 2.894 N/A LEU 198.A N LEU 194.A O no hydrogen 2.965 N/A ALA 199.A N ASN 195.A O no hydrogen 2.877 N/A CYS 200.A N GLU 197.A O no hydrogen 2.920 N/A CYS 200.A SG ARG 196.A O no hydrogen 3.641 N/A PHE 201.A N LEU 198.A O no hydrogen 3.040 N/A ASN 202.A N ALA 199.A O no hydrogen 3.336 N/A ASN 202.A ND2 ASP 101.A OD2 no hydrogen 2.981 N/A THR 204.A N THR 263.A O no hydrogen 3.068 N/A THR 204.A OG1 GLU 262.A OE2 no hydrogen 2.587 N/A ARG 205.A N THR 263.A O no hydrogen 3.325 N/A ARG 205.A NH1 GLN 253.A OE1 no hydrogen 2.964 N/A ARG 205.A NH1 THR 264.A OG1 no hydrogen 2.813 N/A ARG 205.A NH2 GLN 253.A OE1 no hydrogen 3.451 N/A ALA 207.A N ALA 265.A O no hydrogen 2.808 N/A THR 208.A N GLU 229.A O no hydrogen 2.945 N/A THR 208.A OG1 SER 209.A O no hydrogen 2.899 N/A SER 209.A N CYS 267.A O no hydrogen 3.292 N/A SER 209.A OG HIS 268.A NE2 no hydrogen 2.840 N/A TRP 211.A N SER 209.A OG no hydrogen 3.368 N/A LEU 212.A N ALA 180.A O no hydrogen 2.925 N/A ARG 213.A NH1 ASP 179.A O no hydrogen 2.807 N/A ARG 213.A NH2 ASP 179.A OD2 no hydrogen 2.935 N/A CYS 214.A N TRP 211.A O no hydrogen 2.885 N/A CYS 214.A SG CYS 267.A O no hydrogen 4.024 N/A GLN 215.A N TRP 211.A O no hydrogen 3.072 N/A GLU 216.A N LEU 212.A O no hydrogen 2.766 N/A THR 217.A N CYS 214.A O no hydrogen 3.079 N/A THR 217.A OG1 ARG 213.A O no hydrogen 2.661 N/A LEU 218.A N GLN 215.A O no hydrogen 3.190 N/A GLN 219.A N GLN 215.A O no hydrogen 2.972 N/A SER 222.A N LEU 218.A O no hydrogen 2.930 N/A SER 222.A OG ARG 227.A O no hydrogen 2.761 N/A TRP 223.A N GLN 219.A O no hydrogen 2.834 N/A GLN 224.A N VAL 220.A O no hydrogen 2.900 N/A THR 225.A N LEU 221.A O no hydrogen 2.911 N/A THR 225.A OG1 LEU 221.A O no hydrogen 2.771 N/A THR 225.A OG1 SER 222.A O no hydrogen 3.531 N/A GLU 226.A N TRP 223.A O no hydrogen 3.384 N/A ARG 227.A N SER 222.A O no hydrogen 3.181 N/A ILE 231.A N THR 208.A O no hydrogen 2.937 N/A LEU 234.A N ILE 231.A O no hydrogen 2.992 N/A THR 235.A N ASN 232.A O no hydrogen 3.457 N/A ALA 238.A N THR 235.A OG1 no hydrogen 2.897 N/A PHE 239.A N THR 235.A O no hydrogen 2.950 N/A ALA 240.A N GLU 236.A O no hydrogen 2.854 N/A GLU 241.A N ASP 237.A O no hydrogen 2.967 N/A HIS 242.A N ALA 238.A O no hydrogen 2.805 N/A SER 246.A N HIS 242.A O no hydrogen 3.186 N/A SER 246.A OG THR 233.A O no hydrogen 2.798 N/A TRP 247.A N PRO 243.A O no hydrogen 2.998 N/A LEU 248.A N ALA 244.A O no hydrogen 3.020 N/A ALA 249.A N VAL 245.A O no hydrogen 3.032 N/A PHE 250.A N SER 246.A O no hydrogen 3.011 N/A ARG 251.A N TRP 247.A O no hydrogen 2.652 N/A ARG 251.A NH1 ARG 251.A O no hydrogen 3.142 N/A GLU 252.A N LEU 248.A O no hydrogen 2.802 N/A GLN 253.A N ALA 249.A O no hydrogen 3.367 N/A ILE 254.A N PHE 250.A O no hydrogen 3.176 N/A THR 255.A N ARG 251.A O no hydrogen 2.913 N/A THR 255.A OG1 ARG 251.A O no hydrogen 3.233 N/A GLN 256.A N GLU 252.A O no hydrogen 2.897 N/A GLN 256.A NE2 GLU 252.A OE2 no hydrogen 2.638 N/A THR 257.A N GLN 253.A O no hydrogen 2.872 N/A THR 257.A OG1 GLN 253.A O no hydrogen 2.800 N/A THR 257.A OG1 THR 264.A OG1 no hydrogen 2.718 N/A LEU 258.A N ILE 254.A O no hydrogen 2.954 N/A ASN 259.A N THR 255.A O no hydrogen 2.918 N/A SER 260.A N GLN 256.A O no hydrogen 2.926 N/A SER 260.A OG GLN 256.A O no hydrogen 2.804 N/A ARG 261.A N THR 257.A O no hydrogen 2.791 N/A GLU 262.A N SER 260.A OG no hydrogen 3.229 N/A THR 263.A OG1 PHE 201.A O no hydrogen 2.645 N/A THR 264.A N ASN 160.A O no hydrogen 3.168 N/A THR 264.A OG1 THR 257.A OG1 no hydrogen 2.718 N/A ALA 265.A N ARG 205.A O no hydrogen 2.870 N/A ILE 266.A N LEU 162.A O no hydrogen 2.968 N/A CYS 267.A N ALA 207.A O no hydrogen 3.010 N/A CYS 267.A SG VAL 164.A O no hydrogen 3.291 N/A CYS 267.A SG CYS 214.A O no hydrogen 3.521 N/A HIS 268.A NE2 SER 209.A OG no hydrogen 2.840 N/A ARG 269.A NH1 ALA 293.A O no hydrogen 3.143 N/A ILE 272.A N HIS 268.A O no hydrogen 2.928 N/A GLY 273.A N ARG 269.A O no hydrogen 2.866 N/A GLY 274.A N PRO 270.A O no hydrogen 3.079 N/A ASP 276.A N GLY 273.A O no hydrogen 3.016 N/A ARG 279.A N TYR 275.A O no hydrogen 2.768 N/A ARG 279.A NE LEU 291.A O no hydrogen 3.296 N/A ARG 279.A NH1 ASP 276.A OD1 no hydrogen 3.128 N/A ARG 279.A NH2 LEU 291.A O no hydrogen 3.038 N/A LEU 281.A N LEU 278.A O no hydrogen 2.952 N/A CYS 282.A N ARG 279.A O no hydrogen 3.184 N/A CYS 282.A SG LEU 278.A O no hydrogen 3.560 N/A CYS 282.A SG ARG 279.A O no hydrogen 3.409 N/A ALA 283.A N ILE 315.A O no hydrogen 2.862 N/A LEU 287.A N ARG 284.A O no hydrogen 3.028 N/A ALA 288.A N ARG 284.A O no hydrogen 3.216 N/A LYS 289.A N LYS 285.A O no hydrogen 3.051 N/A GLN 290.A N LEU 287.A O no hydrogen 2.957 N/A GLN 290.A NE2 GLN 286.A O no hydrogen 2.976 N/A LEU 291.A N LEU 287.A O no hydrogen 3.198 N/A LEU 291.A N ALA 288.A O no hydrogen 3.022 N/A ILE 292.A N GLN 290.A O no hydrogen 2.676 N/A GLY 300.A N HIS 166.A O no hydrogen 3.133 N/A THR 301.A N PRO 298.A O no hydrogen 3.288 N/A THR 301.A OG1 PRO 298.A O no hydrogen 2.645 N/A ALA 302.A N VAL 321.A O no hydrogen 2.901 N/A SER 303.A OG ASN 160.A OD1 no hydrogen 3.094 N/A LEU 304.A N LEU 161.A O no hydrogen 2.764 N/A PHE 305.A N ASP 317.A O no hydrogen 3.151 N/A ILE 306.A N GLN 159.A O no hydrogen 2.853 N/A ILE 307.A N SER 314.A O no hydrogen 3.052 N/A THR 309.A N GLY 312.A O no hydrogen 3.341 N/A THR 309.A OG1 GLN 311.A OE1 no hydrogen 3.546 N/A THR 309.A OG1 GLY 312.A O no hydrogen 2.640 N/A GLN 311.A N THR 309.A OG1 no hydrogen 3.241 N/A GLY 312.A N THR 309.A O no hydrogen 3.110 N/A GLY 312.A N THR 309.A OG1 no hydrogen 3.247 N/A SER 314.A N ILE 307.A O no hydrogen 2.879 N/A SER 314.A OG LEU 281.A O no hydrogen 2.603 N/A ILE 316.A N PHE 305.A O no hydrogen 2.794 N/A GLN 319.A N SER 303.A O no hydrogen 3.123 N/A GLN 319.A NE2 GLY 81.A O no hydrogen 3.092 N/A GLN 319.A NE2 ASP 317.A OD2 no hydrogen 2.872 N/A VAL 321.A N ALA 302.A O no hydrogen 2.695 N/A