Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1sng_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 6.A N SER 4.A OG no hydrogen 3.326 N/A GLY 8.A N SER 4.A OG no hydrogen 2.887 N/A ARG 11.A N GLY 332.A O no hydrogen 3.003 N/A ARG 11.A NE ASP 13.A OD1 no hydrogen 3.534 N/A ARG 11.A NH2 ASP 13.A OD1 no hydrogen 3.495 N/A LEU 15.A N ARG 11.A O no hydrogen 2.958 N/A GLU 16.A N ASP 12.A O no hydrogen 3.025 N/A PHE 17.A N ASP 13.A O no hydrogen 2.969 N/A ALA 18.A N HIS 14.A O no hydrogen 2.818 N/A LEU 19.A N LEU 15.A O no hydrogen 3.044 N/A HIS 20.A N GLU 16.A O no hydrogen 3.060 N/A LEU 21.A N PHE 17.A O no hydrogen 3.106 N/A HIS 22.A N ALA 18.A O no hydrogen 2.891 N/A HIS 22.A NE2 SER 339.A OG no hydrogen 2.762 N/A ARG 23.A N LEU 19.A O no hydrogen 3.170 N/A ARG 23.A NH2 HIS 20.A ND1 no hydrogen 3.078 N/A ARG 24.A N HIS 20.A O no hydrogen 3.482 N/A LEU 25.A N LEU 21.A O no hydrogen 2.951 N/A ALA 26.A N HIS 22.A O no hydrogen 2.849 N/A GLU 27.A N ARG 23.A O no hydrogen 3.000 N/A ALA 28.A N ARG 24.A O no hydrogen 3.272 N/A ALA 28.A N LEU 25.A O no hydrogen 3.227 N/A VAL 29.A N ALA 26.A O no hydrogen 3.358 N/A GLY 32.A N VAL 29.A O no hydrogen 3.047 N/A VAL 34.A N SER 339.A O no hydrogen 3.011 N/A ILE 35.A N GLN 264.A OE1 no hydrogen 2.910 N/A TRP 36.A N LEU 337.A O no hydrogen 3.238 N/A TRP 36.A NE1 HIS 22.A ND1 no hydrogen 2.942 N/A SER 37.A N HIS 302.A NE2 no hydrogen 3.002 N/A SER 37.A OG SER 40.A OG no hydrogen 3.136 N/A SER 37.A OG LEU 335.A O no hydrogen 2.584 N/A TYR 39.A N ILE 334.A O no hydrogen 2.926 N/A SER 40.A N SER 37.A OG no hydrogen 3.094 N/A SER 40.A OG SER 37.A OG no hydrogen 3.136 N/A VAL 41.A N SER 37.A O no hydrogen 3.027 N/A ALA 42.A N PRO 38.A O no hydrogen 2.867 N/A LEU 44.A N VAL 41.A O no hydrogen 2.870 N/A GLY 45.A N ALA 42.A O no hydrogen 2.771 N/A LEU 47.A N ALA 43.A O no hydrogen 3.027 N/A ALA 48.A N LEU 44.A O no hydrogen 2.823 N/A ALA 49.A N GLY 45.A O no hydrogen 2.950 N/A GLY 50.A N VAL 46.A O no hydrogen 3.315 N/A GLY 50.A N LEU 47.A O no hydrogen 3.091 N/A ALA 51.A N ALA 48.A O no hydrogen 3.154 N/A ARG 52.A N ASP 286.A O no hydrogen 3.001 N/A ARG 52.A NH1 ALA 49.A O no hydrogen 3.092 N/A ARG 52.A NH1 ALA 51.A O no hydrogen 2.980 N/A ARG 56.A N ARG 52.A O no hydrogen 3.206 N/A THR 57.A N ALA 53.A O no hydrogen 2.990 N/A THR 57.A OG1 ALA 53.A O no hydrogen 3.021 N/A GLU 58.A N THR 54.A O no hydrogen 3.001 N/A THR 60.A N ARG 56.A O no hydrogen 2.923 N/A THR 60.A OG1 ARG 56.A O no hydrogen 3.212 N/A THR 60.A OG1 THR 57.A O no hydrogen 3.111 N/A THR 61.A N THR 57.A O no hydrogen 2.911 N/A THR 61.A OG1 THR 57.A O no hydrogen 2.911 N/A LEU 62.A N GLU 58.A O no hydrogen 3.131 N/A LEU 63.A N LEU 59.A O no hydrogen 2.946 N/A GLY 64.A N THR 60.A O no hydrogen 2.812 N/A THR 65.A N THR 60.A O no hydrogen 3.179 N/A THR 65.A OG1 ASP 66.A O no hydrogen 3.021 N/A LEU 71.A N PRO 67.A O no hydrogen 2.841 N/A ALA 72.A N ALA 68.A O no hydrogen 3.284 N/A ALA 73.A N PRO 69.A O no hydrogen 3.340 N/A LEU 74.A N LEU 70.A O no hydrogen 2.857 N/A ASP 75.A N LEU 71.A O no hydrogen 3.029 N/A ALA 77.A N LEU 74.A O no hydrogen 2.904 N/A VAL 78.A N ASP 75.A O no hydrogen 3.248 N/A THR 79.A OG1 ARG 76.A O no hydrogen 3.426 N/A LEU 84.A N SER 81.A O no hydrogen 3.262 N/A ALA 85.A N TRP 164.A O no hydrogen 2.878 N/A ARG 87.A N ALA 162.A O no hydrogen 3.103 N/A ARG 87.A NE ASP 133.A OD1.A no hydrogen 3.016 N/A ARG 87.A NE ASP 133.A OD1.B no hydrogen 2.729 N/A ARG 87.A NH2 ASP 133.A OD2.A no hydrogen 3.093 N/A ARG 87.A NH2 ASP 133.A OD2.B no hydrogen 2.998 N/A THR 88.A N ASP 111.A O no hydrogen 3.218 N/A VAL 89.A N THR 160.A O no hydrogen 2.931 N/A LEU 90.A N ASP 113.A O no hydrogen 3.059 N/A TRP 91.A N ILE 158.A O no hydrogen 2.837 N/A TRP 91.A NE1 THR 160.A OG1 no hydrogen 3.048 N/A VAL 92.A N ARG 115.A O no hydrogen 2.838 N/A SER 93.A N ARG 156.A O no hydrogen 2.881 N/A SER 93.A OG.B ARG 156.A O no hydrogen 3.458 N/A ASP 95.A N SER 93.A OG.A no hydrogen 3.268 N/A VAL 96.A N SER 93.A O no hydrogen 3.008 N/A ARG 99.A N ILE 290.A O no hydrogen 2.804 N/A ARG 99.A NH2 SER 288.A O no hydrogen 3.077 N/A ARG 103.A N ARG 99.A O no hydrogen 3.063 N/A ALA 104.A N SER 100.A O no hydrogen 2.895 N/A THR 105.A N SER 101.A O no hydrogen 3.061 N/A THR 105.A OG1 SER 101.A O no hydrogen 3.148 N/A MET 106.A N PHE 102.A O no hydrogen 3.031 N/A HIS 107.A N ARG 103.A O no hydrogen 2.866 N/A ASP 108.A N ALA 104.A O no hydrogen 2.936 N/A ARG 109.A N MET 106.A O no hydrogen 3.076 N/A ARG 109.A NE ASP 75.A OD1 no hydrogen 2.895 N/A ARG 109.A NE ASP 75.A OD2 no hydrogen 3.407 N/A ARG 109.A NH1 ASP 75.A OD2 no hydrogen 2.932 N/A SER 112.A OG PRO 110.A O no hydrogen 2.972 N/A ASP 113.A N THR 88.A O no hydrogen 2.977 N/A VAL 114.A N ASP 113.A OD1 no hydrogen 2.742 N/A ARG 115.A N LEU 90.A O no hydrogen 2.909 N/A ARG 115.A NH1 ASP 133.A OD2.A no hydrogen 3.383 N/A ARG 115.A NH1 ASP 133.A OD2.B no hydrogen 3.053 N/A ALA 117.A N VAL 92.A O no hydrogen 2.871 N/A THR 121.A N ASP 118.A OD1.A no hydrogen 3.363 N/A THR 121.A OG1 ASP 118.A OD2.A no hydrogen 2.563 N/A ASN 122.A N ASP 118.A O no hydrogen 3.347 N/A VAL 126.A N ASN 122.A O no hydrogen 2.970 N/A ARG 127.A N PRO 123.A O no hydrogen 2.890 N/A ARG 127.A NE GLU 124.A OE1 no hydrogen 3.258 N/A ARG 127.A NE GLU 124.A OE2 no hydrogen 3.409 N/A ARG 127.A NH1 GLU 144.A OE2 no hydrogen 2.988 N/A ARG 127.A NH1 LEU 146.A O no hydrogen 2.986 N/A ARG 127.A NH2 GLU 124.A OE1 no hydrogen 3.230 N/A ALA 128.A N GLU 124.A O no hydrogen 3.025 N/A THR 129.A N GLY 125.A O no hydrogen 3.003 N/A THR 129.A OG1 GLY 125.A O no hydrogen 3.135 N/A VAL 130.A N VAL 126.A O no hydrogen 2.825 N/A ASN 131.A N ARG 127.A O no hydrogen 2.889 N/A ASN 131.A ND2 LEU 146.A O no hydrogen 2.985 N/A ALA 132.A N ALA 128.A O no hydrogen 2.917 N/A ASP 133.A N THR 129.A O no hydrogen 2.986 N/A ILE 134.A N VAL 130.A O no hydrogen 3.133 N/A ALA 135.A N ASN 131.A O no hydrogen 2.866 N/A ASP 136.A N ALA 132.A O no hydrogen 3.048 N/A ALA 137.A N ASP 133.A O no hydrogen 3.195 N/A THR 138.A N ILE 134.A O no hydrogen 2.958 N/A THR 138.A OG1 ILE 134.A O no hydrogen 2.744 N/A THR 138.A OG1 ALA 135.A O no hydrogen 3.164 N/A ARG 139.A N ASP 136.A O no hydrogen 3.039 N/A ARG 139.A NH1 PRO 82.A O no hydrogen 3.310 N/A ARG 139.A NH2 PRO 82.A O no hydrogen 2.943 N/A GLY 140.A N ALA 135.A O no hydrogen 2.738 N/A MET 141.A N THR 138.A O no hydrogen 3.117 N/A ILE 142.A N THR 138.A OG1 no hydrogen 3.124 N/A ARG 143.A NE GLY 140.A O no hydrogen 2.910 N/A LEU 146.A N ASN 131.A OD1 no hydrogen 2.870 N/A ALA 150.A N PRO 147.A O no hydrogen 3.094 N/A THR 152.A OG1 ASP 154.A OD1 no hydrogen 2.636 N/A LEU 155.A N THR 152.A O no hydrogen 3.378 N/A ARG 156.A N ASP 298.A OD2 no hydrogen 2.756 N/A ARG 156.A NH1 PRO 294.A O no hydrogen 3.113 N/A ALA 157.A N ASP 298.A OD2 no hydrogen 2.989 N/A ILE 158.A N TRP 91.A O no hydrogen 3.016 N/A LEU 159.A N THR 299.A O no hydrogen 3.063 N/A THR 160.A N VAL 89.A O no hydrogen 2.931 N/A THR 160.A OG1 VAL 89.A O no hydrogen 3.366 N/A ASN 161.A N ILE 301.A O no hydrogen 2.959 N/A ASN 161.A ND2 THR 88.A OG1 no hydrogen 2.649 N/A ALA 162.A N ARG 87.A O no hydrogen 2.909 N/A LEU 163.A N GLN 303.A O no hydrogen 3.022 N/A TRP 164.A N ALA 85.A O no hydrogen 2.860 N/A ALA 165.A N ARG 305.A O no hydrogen 3.146 N/A ARG 168.A NH1 ASP 83.A OD2.B no hydrogen 3.123 N/A ARG 168.A NH1 ASP 218.A OD2 no hydrogen 3.480 N/A TRP 169.A NE1 ASP 309.A O no hydrogen 2.790 N/A THR 170.A N HIS 215.A O no hydrogen 3.011 N/A PHE 173.A N GLU 310.A O no hydrogen 2.859 N/A LEU 177.A N GLU 174.A O no hydrogen 2.973 N/A THR 178.A N ALA 175.A O no hydrogen 3.216 N/A THR 178.A OG1 ALA 175.A O no hydrogen 3.508 N/A THR 178.A OG1 GLU 310.A OE2 no hydrogen 2.597 N/A ARG 179.A N PHE 194.A O no hydrogen 2.974 N/A GLY 181.A N VAL 192.A O no hydrogen 2.791 N/A PHE 183.A N LYS 190.A O no hydrogen 2.801 N/A ARG 184.A N ASP 321.A O no hydrogen 2.964 N/A THR 185.A N GLY 188.A O no hydrogen 2.844 N/A THR 185.A OG1 GLY 188.A O no hydrogen 2.597 N/A ARG 187.A N THR 185.A OG1 no hydrogen 3.213 N/A GLY 188.A N THR 185.A O no hydrogen 3.106 N/A LYS 190.A N PHE 183.A O no hydrogen 2.788 N/A ARG 191.A NH1 THR 182.A OG1 no hydrogen 3.261 N/A VAL 192.A N GLY 181.A O no hydrogen 2.820 N/A PHE 194.A N ARG 179.A O no hydrogen 2.817 N/A MET 195.A N LEU 257.A O no hydrogen 2.736 N/A ARG 197.A N LEU 255.A O no hydrogen 3.153 N/A ARG 197.A NH2.A THR 171.A O no hydrogen 3.058 N/A LYS 199.A N VAL 253.A O no hydrogen 3.195 N/A MET 201.A N THR 251.A O no hydrogen 2.875 N/A TYR 203.A N ALA 249.A O no hydrogen 2.986 N/A ALA 204.A N MET 211.A O no hydrogen 2.882 N/A ALA 206.A N TRP 209.A O no hydrogen 2.918 N/A TRP 209.A N ALA 206.A O no hydrogen 2.754 N/A ARG 210.A N LEU 226.A O no hydrogen 2.994 N/A ARG 210.A NE TYR 203.A OH no hydrogen 3.082 N/A ARG 210.A NH1 TYR 203.A OH no hydrogen 3.164 N/A ARG 210.A NH1 ARG 317.A O no hydrogen 2.899 N/A ARG 210.A NH2 ARG 317.A O no hydrogen 3.348 N/A MET 211.A N ALA 204.A O no hydrogen 2.857 N/A VAL 212.A N VAL 224.A O no hydrogen 3.074 N/A THR 213.A N PRO 202.A O no hydrogen 3.078 N/A THR 213.A OG1 ASP 223.A OD1 no hydrogen 2.615 N/A LEU 214.A N VAL 222.A O no hydrogen 2.774 N/A ALA 216.A N LEU 220.A O no hydrogen 2.899 N/A HIS 217.A N ARG 168.A O no hydrogen 2.829 N/A ALA 221.A N ARG 329.A O no hydrogen 3.036 N/A VAL 222.A N LEU 214.A O no hydrogen 2.920 N/A ASP 223.A N VAL 327.A O no hydrogen 2.873 N/A VAL 224.A N VAL 212.A O no hydrogen 2.864 N/A LEU 225.A N HIS 325.A O no hydrogen 2.829 N/A LEU 226.A N ARG 210.A O no hydrogen 2.812 N/A ASN 231.A N PRO 228.A O no hydrogen 2.906 N/A ALA 234.A N ASN 231.A O no hydrogen 3.043 N/A LEU 240.A N THR 237.A OG1 no hydrogen 3.294 N/A LEU 241.A N THR 237.A O no hydrogen 3.081 N/A THR 242.A N ALA 238.A O no hydrogen 2.990 N/A THR 242.A OG1 ALA 238.A O no hydrogen 3.280 N/A ALA 243.A N PRO 239.A O no hydrogen 2.956 N/A LEU 244.A N LEU 240.A O no hydrogen 2.877 N/A HIS 245.A N LEU 241.A O no hydrogen 2.955 N/A ARG 246.A N THR 242.A O no hydrogen 2.959 N/A ARG 247.A N ALA 243.A O no hydrogen 2.858 N/A ARG 247.A NE THR 205.A O no hydrogen 2.695 N/A ARG 247.A NH2 THR 205.A O no hydrogen 3.205 N/A SER 248.A N HIS 245.A O no hydrogen 3.125 N/A SER 248.A OG LEU 244.A O no hydrogen 2.722 N/A SER 248.A OG HIS 245.A O no hydrogen 3.386 N/A ALA 249.A N TYR 203.A O no hydrogen 3.014 N/A THR 251.A N MET 201.A O no hydrogen 2.856 N/A THR 251.A OG1 ALA 249.A O no hydrogen 2.810 N/A SER 252.A OG THR 315.A OG1 no hydrogen 2.833 N/A VAL 253.A N LYS 199.A O no hydrogen 3.067 N/A GLU 254.A N ILE 316.A O no hydrogen 2.701 N/A LEU 255.A N ARG 197.A O no hydrogen 2.766 N/A ALA 256.A N PHE 318.A O no hydrogen 3.020 N/A LEU 257.A N MET 195.A O no hydrogen 2.906 N/A ARG 259.A N PRO 193.A O no hydrogen 3.211 N/A ARG 259.A NE ASP 345.A OD1 no hydrogen 2.747 N/A ARG 259.A NH1 GLU 310.A OE2 no hydrogen 2.972 N/A ARG 259.A NH2 ASP 345.A OD1 no hydrogen 3.264 N/A ARG 259.A NH2 ASP 345.A OD2 no hydrogen 3.036 N/A PHE 260.A N VAL 308.A O no hydrogen 2.954 N/A GLU 261.A N HIS 344.A O no hydrogen 2.953 N/A LEU 262.A N LEU 306.A O no hydrogen 3.096 N/A THR 263.A OG1 ALA 304.A O no hydrogen 2.699 N/A GLN 264.A NE2 GLU 33.A O no hydrogen 2.799 N/A HIS 266.A N HIS 302.A O no hydrogen 2.783 N/A HIS 266.A NE2 ILE 35.A O no hydrogen 3.002 N/A LEU 268.A N VAL 300.A O no hydrogen 2.977 N/A LEU 272.A N LEU 268.A O no hydrogen 2.980 N/A ALA 273.A N VAL 269.A O no hydrogen 2.946 N/A GLU 274.A N GLU 270.A O no hydrogen 3.073 N/A ALA 275.A N VAL 271.A O no hydrogen 2.946 N/A GLY 276.A N ALA 273.A O no hydrogen 3.097 N/A VAL 277.A N LEU 272.A O no hydrogen 2.782 N/A ARG 278.A N GLU 58.A OE1 no hydrogen 2.845 N/A THR 279.A N GLU 58.A OE1 no hydrogen 2.998 N/A THR 279.A OG1 GLU 58.A OE1 no hydrogen 3.447 N/A THR 279.A OG1 GLU 58.A OE2 no hydrogen 2.762 N/A PHE 281.A N ARG 278.A O no hydrogen 3.028 N/A THR 282.A N THR 279.A O no hydrogen 2.992 N/A THR 282.A OG1 THR 279.A O no hydrogen 2.907 N/A SER 284.A N THR 282.A OG1 no hydrogen 3.299 N/A ALA 285.A N THR 282.A O no hydrogen 2.890 N/A ASP 286.A N THR 55.A OG1 no hydrogen 2.911 N/A SER 288.A N ASP 286.A OD1 no hydrogen 3.072 N/A SER 288.A OG ASP 286.A OD1 no hydrogen 2.525 N/A GLY 289.A N GLY 50.A O no hydrogen 2.833 N/A ILE 290.A N LEU 287.A O no hydrogen 2.888 N/A SER 291.A N LEU 287.A O no hydrogen 3.144 N/A SER 291.A OG PRO 97.A O no hydrogen 2.645 N/A SER 291.A OG VAL 293.A O no hydrogen 3.463 N/A VAL 293.A N SER 291.A OG no hydrogen 3.187 N/A VAL 297.A N LEU 280.A O no hydrogen 3.108 N/A ASP 298.A N ALA 157.A O no hydrogen 2.761 N/A THR 299.A OG1 GLN 267.A OE1 no hydrogen 2.653 N/A ILE 301.A N LEU 159.A O no hydrogen 2.910 N/A HIS 302.A N HIS 266.A O no hydrogen 2.859 N/A HIS 302.A ND1 ASN 161.A OD1 no hydrogen 2.650 N/A GLN 303.A N ASN 161.A O no hydrogen 3.096 N/A GLN 303.A NE2 THR 263.A OG1 no hydrogen 2.822 N/A ARG 305.A N LEU 163.A O no hydrogen 2.803 N/A ARG 305.A NE GLU 261.A OE2 no hydrogen 2.846 N/A ARG 305.A NH1 MET 141.A O no hydrogen 2.860 N/A ARG 305.A NH2 GLU 261.A OE1 no hydrogen 3.411 N/A LEU 306.A N LEU 262.A O no hydrogen 3.140 N/A ARG 307.A N ALA 165.A O no hydrogen 3.290 N/A ARG 307.A NE ASP 309.A OD2 no hydrogen 2.769 N/A ARG 307.A NH1 ALA 349.A O no hydrogen 3.427 N/A ARG 307.A NH2 ALA 349.A O no hydrogen 3.170 N/A VAL 308.A N PHE 260.A O no hydrogen 2.735 N/A GLU 310.A N GLU 310.A OE1 no hydrogen 2.789 N/A ARG 311.A N ASP 309.A OD1 no hydrogen 3.269 N/A GLY 312.A N ASP 309.A OD1 no hydrogen 2.778 N/A THR 315.A OG1 SER 252.A OG no hydrogen 2.833 N/A ILE 316.A N SER 252.A O no hydrogen 2.811 N/A PHE 318.A N GLU 254.A O no hydrogen 2.958 N/A SER 319.A OG.A ASP 321.A OD2 no hydrogen 3.111 N/A VAL 320.A N ALA 256.A O no hydrogen 2.857 N/A ARG 322.A NH1 PRO 227.A O no hydrogen 2.892 N/A ARG 322.A NH2 PRO 227.A O no hydrogen 3.173 N/A PHE 324.A N ILE 340.A O no hydrogen 3.026 N/A HIS 325.A N LEU 225.A O no hydrogen 2.907 N/A HIS 325.A ND1 SER 339.A OG no hydrogen 2.689 N/A HIS 325.A NE2 ALA 234.A O no hydrogen 2.878 N/A ILE 326.A N GLY 338.A O no hydrogen 2.792 N/A VAL 327.A N ASP 223.A O no hydrogen 2.918 N/A VAL 328.A N PHE 336.A O no hydrogen 2.860 N/A ARG 329.A N ALA 221.A O no hydrogen 2.883 N/A ARG 329.A NE ASP 223.A OD2 no hydrogen 2.806 N/A ARG 329.A NH2 ASP 223.A OD1 no hydrogen 3.077 N/A ARG 329.A NH2 ASP 223.A OD2 no hydrogen 3.527 N/A ARG 330.A N ALA 333.A O no hydrogen 2.943 N/A ARG 330.A NE ASP 218.A O no hydrogen 2.734 N/A ARG 330.A NH1 ALA 77.A O no hydrogen 2.949 N/A ARG 330.A NH1 THR 79.A O no hydrogen 2.835 N/A ARG 330.A NH2 THR 79.A O no hydrogen 2.998 N/A ARG 331.A NE GLU 219.A OE1 no hydrogen 2.977 N/A ARG 331.A NH1 ARG 76.A O no hydrogen 2.931 N/A ARG 331.A NH2 GLU 219.A OE2 no hydrogen 2.912 N/A ALA 333.A N ARG 330.A O no hydrogen 3.074 N/A ILE 334.A N HIS 14.A NE2 no hydrogen 3.019 N/A LEU 335.A N VAL 328.A O no hydrogen 2.656 N/A PHE 336.A N VAL 328.A O no hydrogen 3.194 N/A LEU 337.A N TRP 36.A O no hydrogen 2.894 N/A GLY 338.A N ILE 326.A O no hydrogen 2.910 N/A SER 339.A N VAL 34.A O no hydrogen 2.810 N/A SER 339.A OG HIS 22.A NE2 no hydrogen 2.762 N/A SER 339.A OG HIS 325.A ND1 no hydrogen 2.689 N/A ILE 340.A N PHE 324.A O no hydrogen 2.870 N/A ALA 341.A N GLU 33.A OE2 no hydrogen 2.806 N/A ASP 342.A N GLU 33.A OE2 no hydrogen 2.930 N/A GLY 347.A N ASP 345.A OD1 no hydrogen 2.839 N/A