Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1mdw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N TRP 128.A O no hydrogen 2.607 N/A LYS 5.A NZ ASP 10.A OD1 no hydrogen 2.787 N/A TYR 6.A N GLU 130.A O no hydrogen 2.870 N/A ASN 8.A N LYS 5.A O no hydrogen 2.890 N/A GLN 9.A N TYR 6.A O no hydrogen 3.089 N/A GLN 9.A NE2 ASP 27.A OD1 no hydrogen 3.157 N/A THR 13.A N ASP 10.A OD2 no hydrogen 3.058 N/A THR 13.A OG1 ASP 10.A OD2 no hydrogen 2.618 N/A LEU 14.A N ASP 10.A O no hydrogen 2.942 N/A ARG 15.A N TYR 11.A O no hydrogen 2.812 N/A ASN 16.A N GLU 12.A O no hydrogen 2.981 N/A GLU 17.A N THR 13.A O no hydrogen 2.906 N/A CYS 18.A N LEU 14.A O no hydrogen 3.065 N/A CYS 18.A SG LEU 14.A O no hydrogen 3.431 N/A LEU 19.A N ARG 15.A O no hydrogen 2.917 N/A GLU 20.A N ASN 16.A O no hydrogen 2.964 N/A ALA 21.A N GLU 17.A O no hydrogen 3.007 N/A GLY 22.A N LEU 19.A O no hydrogen 2.849 N/A ALA 23.A N CYS 18.A O no hydrogen 2.891 N/A PHE 25.A N ALA 115.A O no hydrogen 2.862 N/A ASP 27.A N ASP 134.A OD2 no hydrogen 2.985 N/A SER 29.A N ASP 27.A OD1 no hydrogen 3.103 N/A SER 29.A OG ASP 27.A OD1 no hydrogen 2.837 N/A SER 29.A OG ASP 27.A OD2 no hydrogen 3.454 N/A PHE 30.A N ASP 27.A O no hydrogen 3.372 N/A SER 36.A N LEU 33.A O no hydrogen 2.888 N/A SER 36.A OG PRO 31.A O no hydrogen 2.571 N/A LEU 37.A N PRO 34.A O no hydrogen 2.947 N/A GLY 38.A N PRO 34.A O no hydrogen 3.247 N/A PHE 39.A N GLU 172.A OE1 no hydrogen 2.762 N/A LYS 40.A N GLU 172.A OE1 no hydrogen 2.750 N/A GLU 41.A N GLU 172.A OE2 no hydrogen 2.880 N/A LEU 42.A N GLU 172.A OE1 no hydrogen 3.023 N/A GLY 43.A N LYS 40.A O no hydrogen 2.964 N/A SER 46.A N GLY 43.A O no hydrogen 2.964 N/A SER 46.A OG GLU 41.A O no hydrogen 2.676 N/A LYS 48.A N SER 46.A OG no hydrogen 3.288 N/A LYS 48.A NZ GLU 41.A OE1 no hydrogen 3.092 N/A THR 49.A N SER 46.A O no hydrogen 3.083 N/A THR 49.A OG1 GLY 43.A O no hydrogen 3.528 N/A THR 49.A OG1 SER 46.A O no hydrogen 2.661 N/A ARG 50.A N SER 47.A O no hydrogen 3.190 N/A ILE 52.A N THR 49.A O no hydrogen 3.185 N/A GLU 53.A N THR 139.A O no hydrogen 2.857 N/A LYS 55.A N LEU 137.A O no hydrogen 2.917 N/A ARG 56.A N GLU 59.A OE2 no hydrogen 2.845 N/A ARG 56.A NH1 PHE 25.A O no hydrogen 3.257 N/A ARG 56.A NH1 ASP 135.A OD1 no hydrogen 2.813 N/A ARG 56.A NH2 PHE 25.A O no hydrogen 2.939 N/A GLU 59.A N ARG 56.A O no hydrogen 2.832 N/A ILE 60.A N PRO 57.A O no hydrogen 2.942 N/A CYS 61.A N PRO 57.A O no hydrogen 3.013 N/A CYS 61.A SG PRO 57.A O no hydrogen 3.910 N/A CYS 61.A SG SER 153.A OG no hydrogen 3.459 N/A GLN 65.A N SER 153.A O no hydrogen 2.804 N/A GLN 65.A NE2 PRO 64.A O no hydrogen 3.212 N/A ILE 68.A N GLU 154.A OE2 no hydrogen 2.814 N/A THR 72.A N ASP 75.A OD2 no hydrogen 2.972 N/A THR 72.A OG1 THR 74.A OG1 no hydrogen 3.041 N/A ARG 73.A NE GLU 298.A OE1 no hydrogen 3.235 N/A ARG 73.A NE GLU 298.A OE2 no hydrogen 2.593 N/A ARG 73.A NH2 GLU 298.A OE1 no hydrogen 2.858 N/A THR 74.A OG1 THR 72.A OG1 no hydrogen 3.041 N/A ASP 75.A N THR 72.A O no hydrogen 3.008 N/A ILE 76.A N ARG 73.A O no hydrogen 3.015 N/A CYS 77.A N HIS 148.A O no hydrogen 2.864 N/A CYS 77.A SG THR 74.A O no hydrogen 3.747 N/A GLN 78.A N PRO 262.A O no hydrogen 2.796 N/A GLN 78.A NE2 LEU 81.A O no hydrogen 2.764 N/A ALA 80.A N LEU 145.A O no hydrogen 2.801 N/A LEU 87.A N ASP 83.A O no hydrogen 3.079 N/A ALA 88.A N SER 84.A O no hydrogen 2.705 N/A ALA 89.A N TRP 85.A O no hydrogen 2.966 N/A ILE 90.A N LEU 86.A O no hydrogen 2.885 N/A ALA 91.A N LEU 87.A O no hydrogen 2.849 N/A SER 92.A N ALA 88.A O no hydrogen 2.978 N/A SER 92.A OG ALA 88.A O no hydrogen 3.047 N/A SER 92.A OG LEU 213.A O no hydrogen 3.118 N/A LEU 93.A N ALA 89.A O no hydrogen 2.812 N/A THR 94.A N ILE 90.A O no hydrogen 3.142 N/A THR 94.A N ALA 91.A O no hydrogen 3.249 N/A THR 94.A OG1 ALA 91.A O no hydrogen 2.618 N/A LEU 95.A N SER 92.A O no hydrogen 3.071 N/A ASN 96.A N LEU 93.A O no hydrogen 2.914 N/A ASN 96.A ND2 GLY 210.A O no hydrogen 2.878 N/A ILE 99.A N ASN 96.A OD1 no hydrogen 3.005 N/A LEU 100.A N ASN 96.A O no hydrogen 3.039 N/A ALA 101.A N GLU 97.A O no hydrogen 3.036 N/A ARG 102.A N GLU 98.A O no hydrogen 3.341 N/A ARG 102.A N ILE 99.A O no hydrogen 2.864 N/A ARG 102.A NE GLN 121.A OE1 no hydrogen 2.796 N/A ARG 102.A NH2 GLN 121.A OE1 no hydrogen 3.459 N/A VAL 103.A N ILE 99.A O no hydrogen 2.870 N/A VAL 104.A N LEU 100.A O no hydrogen 2.784 N/A GLN 108.A NE2 PRO 105.A O no hydrogen 2.846 N/A GLN 108.A NE2 HIS 119.A O no hydrogen 3.004 N/A GLN 111.A N SER 109.A OG no hydrogen 2.991 N/A GLN 111.A NE2 PRO 64.A O no hydrogen 3.609 N/A TYR 114.A OH ASP 135.A OD2 no hydrogen 2.494 N/A PHE 118.A N VAL 133.A O no hydrogen 2.910 N/A HIS 119.A N GLN 108.A OE1 no hydrogen 2.864 N/A HIS 119.A ND1 GLN 108.A OE1 no hydrogen 3.321 N/A PHE 120.A N VAL 131.A O no hydrogen 3.019 N/A GLN 121.A N VAL 103.A O no hydrogen 3.149 N/A GLN 121.A NE2 GLU 130.A OE1 no hydrogen 2.651 N/A PHE 122.A N VAL 129.A O no hydrogen 2.687 N/A GLN 124.A N GLU 127.A O no hydrogen 2.837 N/A VAL 129.A N PHE 122.A O no hydrogen 2.927 N/A GLU 130.A N ILE 4.A O no hydrogen 2.759 N/A VAL 131.A N PHE 120.A O no hydrogen 2.838 N/A VAL 133.A N PHE 118.A O no hydrogen 2.943 N/A ASP 135.A N GLY 116.A O no hydrogen 3.031 N/A ARG 136.A N ASP 134.A OD1 no hydrogen 2.894 N/A ARG 136.A NE ASP 134.A OD1 no hydrogen 3.135 N/A ARG 136.A NE ASP 134.A OD2 no hydrogen 3.289 N/A ARG 136.A NH2 ASP 134.A OD2 no hydrogen 2.807 N/A LEU 137.A N LYS 55.A O no hydrogen 2.826 N/A THR 139.A N GLU 53.A O no hydrogen 2.802 N/A THR 139.A OG1 GLU 53.A O no hydrogen 2.551 N/A LYS 140.A N GLU 143.A O no hydrogen 2.898 N/A LYS 140.A NZ LYS 48.A O no hydrogen 2.838 N/A LYS 140.A NZ ARG 50.A O no hydrogen 3.231 N/A GLU 143.A N LYS 140.A O no hydrogen 3.282 N/A LEU 145.A N PRO 138.A O no hydrogen 3.029 N/A VAL 147.A N GLU 161.A OE1 no hydrogen 2.967 N/A HIS 148.A N CYS 77.A O no hydrogen 2.988 N/A SER 149.A OG ASP 75.A OD1 no hydrogen 3.308 N/A SER 149.A OG GLU 154.A OE1 no hydrogen 2.628 N/A ALA 150.A N THR 74.A O no hydrogen 3.436 N/A GLU 151.A N SER 149.A OG no hydrogen 3.108 N/A GLU 154.A N GLU 151.A O no hydrogen 3.056 N/A PHE 155.A N GLN 65.A O no hydrogen 2.895 N/A TRP 156.A N PHE 66.A O no hydrogen 2.866 N/A TRP 156.A NE1 ASP 75.A OD2 no hydrogen 2.747 N/A SER 157.A OG ASP 75.A O no hydrogen 2.759 N/A LEU 159.A N PHE 155.A O no hydrogen 3.056 N/A LEU 160.A N TRP 156.A O no hydrogen 2.913 N/A GLU 161.A N SER 157.A O no hydrogen 2.955 N/A LYS 162.A N ALA 158.A O no hydrogen 3.156 N/A LYS 162.A NZ ASP 134.A O no hydrogen 2.913 N/A LYS 162.A NZ ARG 136.A O no hydrogen 2.702 N/A ALA 163.A N LEU 159.A O no hydrogen 3.013 N/A TYR 164.A N LEU 160.A O no hydrogen 3.012 N/A TYR 164.A OH PHE 182.A O no hydrogen 3.133 N/A ALA 165.A N GLU 161.A O no hydrogen 2.865 N/A LYS 166.A N LYS 162.A O no hydrogen 2.763 N/A LYS 166.A NZ GLN 9.A OE1 no hydrogen 2.670 N/A LYS 166.A NZ ASP 27.A OD2 no hydrogen 2.665 N/A LYS 166.A NZ SER 29.A OG no hydrogen 3.221 N/A LYS 166.A NZ VAL 132.A O no hydrogen 2.766 N/A ILE 167.A N ALA 163.A O no hydrogen 2.998 N/A ASN 168.A N TYR 164.A O no hydrogen 3.024 N/A GLY 169.A N LYS 166.A O no hydrogen 2.952 N/A TYR 171.A N SER 36.A O no hydrogen 3.012 N/A GLU 172.A N LEU 37.A O no hydrogen 2.940 N/A ALA 173.A N CYS 170.A O no hydrogen 3.167 N/A LEU 174.A N TYR 171.A O no hydrogen 2.913 N/A SER 175.A N GLU 172.A O no hydrogen 2.983 N/A SER 175.A OG GLY 82.A O no hydrogen 3.186 N/A PHE 179.A N GLU 314.A OE1 no hydrogen 2.592 N/A GLU 180.A N GLU 180.A OE2 no hydrogen 2.744 N/A PHE 182.A N PHE 179.A O no hydrogen 2.707 N/A THR 183.A N GLU 180.A O no hydrogen 3.260 N/A THR 183.A OG1 PHE 179.A O no hydrogen 2.948 N/A GLU 188.A N ILE 315.A O no hydrogen 2.886 N/A TYR 190.A N LEU 313.A O no hydrogen 2.876 N/A LEU 192.A N SER 311.A O no hydrogen 3.061 N/A LYS 194.A N GLU 191.A O no hydrogen 2.782 N/A LEU 199.A N PRO 196.A O no hydrogen 3.210 N/A ILE 202.A N ASN 198.A O no hydrogen 2.973 N/A ILE 203.A N LEU 199.A O no hydrogen 2.827 N/A GLN 204.A N PHE 200.A O no hydrogen 2.913 N/A GLN 204.A NE2 ALA 244.A O no hydrogen 3.310 N/A LYS 205.A N LYS 201.A O no hydrogen 2.795 N/A ALA 206.A N ILE 202.A O no hydrogen 2.910 N/A LEU 207.A N ILE 203.A O no hydrogen 2.910 N/A GLU 208.A N GLN 204.A O no hydrogen 2.869 N/A LYS 209.A N LYS 205.A O no hydrogen 3.021 N/A GLY 210.A N LEU 207.A O no hydrogen 3.024 N/A SER 211.A N ALA 206.A O no hydrogen 2.986 N/A SER 211.A OG ALA 206.A O no hydrogen 3.559 N/A LEU 212.A N CYS 316.A O no hydrogen 2.987 N/A GLY 214.A N GLU 314.A O no hydrogen 3.027 N/A CYS 215.A N TYR 239.A O no hydrogen 2.915 N/A CYS 215.A SG TYR 239.A O no hydrogen 4.045 N/A SER 216.A N ARG 312.A O no hydrogen 3.148 N/A ASP 218.A N SER 311.A OG no hydrogen 2.844 N/A THR 220.A N ASP 224.A OD1 no hydrogen 3.447 N/A ASP 224.A N SER 221.A O no hydrogen 2.875 N/A SER 225.A N ALA 222.A O no hydrogen 3.281 N/A GLU 226.A N LYS 235.A O no hydrogen 2.884 N/A ALA 227.A N ASP 224.A O no hydrogen 3.014 N/A THR 229.A N LEU 233.A O no hydrogen 2.774 N/A THR 229.A OG1 LEU 233.A O no hydrogen 3.334 N/A LYS 232.A N THR 229.A O no hydrogen 3.047 N/A LEU 233.A N THR 229.A OG1 no hydrogen 2.864 N/A VAL 234.A N TYR 239.A OH no hydrogen 2.676 N/A LYS 235.A N ALA 227.A O no hydrogen 2.872 N/A LYS 235.A NZ ASP 224.A OD1 no hydrogen 2.848 N/A GLY 236.A N ILE 217.A O no hydrogen 2.778 N/A HIS 237.A NE2 ASN 261.A OD1 no hydrogen 2.835 N/A ALA 238.A N SER 84.A OG no hydrogen 2.864 N/A TYR 239.A N CYS 215.A O no hydrogen 2.936 N/A SER 240.A N ARG 260.A O no hydrogen 2.959 N/A SER 240.A OG ALA 88.A O no hydrogen 2.503 N/A VAL 241.A N LEU 213.A O no hydrogen 2.811 N/A THR 242.A N ARG 258.A O no hydrogen 2.877 N/A THR 242.A OG1 GLU 298.A OE2 no hydrogen 2.682 N/A GLY 243.A N ARG 258.A O no hydrogen 3.368 N/A GLU 245.A N LEU 256.A O no hydrogen 2.967 N/A VAL 247.A N GLN 254.A O no hydrogen 2.863 N/A SER 249.A N SER 252.A O no hydrogen 2.826 N/A SER 249.A OG THR 281.A OG1 no hydrogen 2.601 N/A SER 250.A N THR 281.A O no hydrogen 3.138 N/A GLY 251.A N GLU 248.A OE2 no hydrogen 2.733 N/A SER 252.A N SER 249.A O no hydrogen 3.005 N/A SER 252.A OG SER 249.A O no hydrogen 2.785 N/A GLN 254.A N VAL 247.A O no hydrogen 2.742 N/A LYS 255.A NZ GLU 246.A OE2 no hydrogen 3.052 N/A LEU 256.A N GLU 245.A O no hydrogen 2.762 N/A ILE 257.A N MET 301.A O no hydrogen 2.871 N/A ARG 258.A N GLY 243.A O no hydrogen 2.809 N/A ARG 258.A NE THR 242.A OG1 no hydrogen 2.842 N/A ARG 258.A NH2 THR 242.A O no hydrogen 2.746 N/A ILE 259.A N PHE 299.A O no hydrogen 2.804 N/A ARG 260.A N SER 240.A O no hydrogen 2.828 N/A ARG 260.A NE ASP 296.A O no hydrogen 3.213 N/A ARG 260.A NH1 ILE 76.A O no hydrogen 2.923 N/A ARG 260.A NH2 ILE 76.A O no hydrogen 2.887 N/A ARG 260.A NH2 ASP 296.A O no hydrogen 3.465 N/A ASN 261.A N GLY 297.A O no hydrogen 2.821 N/A ASN 261.A ND2 VAL 266.A O no hydrogen 3.072 N/A TRP 263.A N ASN 261.A OD1 no hydrogen 2.867 N/A GLY 264.A N ASN 261.A O no hydrogen 2.931 N/A VAL 266.A N GLU 295.A OE1 no hydrogen 3.049 N/A TRP 268.A NE1 LYS 271.A O no hydrogen 2.876 N/A THR 269.A N GLN 231.A O no hydrogen 2.893 N/A ASN 273.A N GLY 270.A O no hydrogen 3.222 N/A CYS 276.A N ASN 273.A O no hydrogen 2.857 N/A CYS 276.A SG SER 278.A OG no hydrogen 3.108 N/A TRP 279.A N CYS 276.A O no hydrogen 3.204 N/A TRP 279.A NE1 TRP 272.A O no hydrogen 2.988 N/A ASN 280.A N PRO 277.A O no hydrogen 2.975 N/A THR 281.A N SER 278.A O no hydrogen 2.954 N/A THR 281.A OG1 SER 249.A OG no hydrogen 2.601 N/A THR 281.A OG1 SER 278.A O no hydrogen 2.604 N/A VAL 282.A N TRP 279.A O no hydrogen 3.277 N/A VAL 286.A N ASP 283.A OD2 no hydrogen 3.312 N/A ARG 287.A N ASP 283.A O no hydrogen 2.891 N/A ARG 287.A NH2 ASN 280.A OD1 no hydrogen 2.633 N/A ALA 288.A N PRO 284.A O no hydrogen 2.942 N/A ASN 289.A N GLU 285.A O no hydrogen 3.288 N/A LEU 290.A N VAL 286.A O no hydrogen 3.129 N/A LEU 290.A N ARG 287.A O no hydrogen 3.022 N/A THR 291.A N ARG 287.A O no hydrogen 2.916 N/A GLN 294.A N ASP 274.A OD2 no hydrogen 3.464 N/A ASP 296.A N GLU 267.A OE1 no hydrogen 3.043 N/A ASP 296.A N GLN 294.A O no hydrogen 2.970 N/A GLY 297.A N GLU 267.A OE1 no hydrogen 2.804 N/A GLU 298.A N ASP 296.A OD1 no hydrogen 3.012 N/A PHE 299.A N ILE 259.A O no hydrogen 2.878 N/A TRP 300.A NE1 LEU 290.A O no hydrogen 2.744 N/A MET 301.A N ILE 257.A O no hydrogen 3.048 N/A PHE 303.A N LYS 255.A O no hydrogen 2.828 N/A ASP 305.A N SER 302.A OG no hydrogen 3.008 N/A PHE 306.A N SER 302.A O no hydrogen 2.946 N/A LEU 307.A N PHE 303.A O no hydrogen 2.889 N/A ARG 308.A N SER 304.A O no hydrogen 3.083 N/A HIS 309.A N ASP 305.A O no hydrogen 2.846 N/A TYR 310.A N PHE 306.A O no hydrogen 2.890 N/A SER 311.A N SER 216.A O no hydrogen 2.845 N/A ARG 312.A N SER 216.A O no hydrogen 3.145 N/A LEU 313.A N TYR 190.A O no hydrogen 3.090 N/A GLU 314.A N GLY 214.A O no hydrogen 2.764 N/A ILE 315.A N GLU 188.A O no hydrogen 2.915 N/A CYS 316.A N LEU 212.A O no hydrogen 2.784 N/A CYS 316.A SG THR 183.A OG1 no hydrogen 3.352 N/A CYS 316.A SG GLY 184.A O no hydrogen 2.935 N/A ASN 317.A N ILE 186.A O no hydrogen 3.094 N/A