Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4md6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 5.A N GLU 1.A O no hydrogen 2.741 N/A LEU 6.A N GLU 2.A O no hydrogen 2.961 N/A GLN 7.A N THR 3.A O no hydrogen 3.003 N/A GLN 7.A NE2 THR 3.A O no hydrogen 3.612 N/A SER 8.A N ARG 4.A O no hydrogen 3.060 N/A SER 8.A OG ARG 4.A O no hydrogen 2.962 N/A LEU 9.A N GLU 5.A O no hydrogen 2.961 N/A ALA 10.A N LEU 6.A O no hydrogen 2.788 N/A ALA 11.A N GLN 7.A O no hydrogen 3.015 N/A ALA 12.A N LEU 9.A O no hydrogen 3.297 N/A SER 16.A OG THR 19.A OG1 no hydrogen 3.128 N/A THR 19.A N SER 16.A OG no hydrogen 3.108 N/A THR 19.A OG1 SER 16.A OG no hydrogen 3.128 N/A LEU 20.A N SER 16.A O no hydrogen 3.079 N/A LYS 21.A N GLN 18.A O no hydrogen 3.219 N/A ASP 24.A N LYS 21.A O no hydrogen 3.269 N/A PHE 27.A N ASP 24.A O no hydrogen 3.159 N/A GLU 31.A N GLU 31.A OE1 no hydrogen 2.703 N/A LEU 32.A N ASP 29.A O no hydrogen 2.897 N/A SER 33.A N GLU 36.A OE1 no hydrogen 2.924 N/A SER 33.A OG GLU 36.A OE1 no hydrogen 3.489 N/A GLU 36.A N SER 33.A OG no hydrogen 3.238 N/A THR 37.A N SER 33.A O no hydrogen 3.092 N/A THR 37.A OG1 ASP 34.A O no hydrogen 2.662 N/A ALA 38.A N ASP 34.A O no hydrogen 2.993 N/A LEU 39.A N LEU 35.A O no hydrogen 3.043 N/A CYS 40.A N GLU 36.A O no hydrogen 3.019 N/A CYS 40.A SG GLU 36.A O no hydrogen 3.368 N/A THR 41.A N THR 37.A O no hydrogen 2.960 N/A THR 41.A OG1 THR 37.A O no hydrogen 2.829 N/A ILE 42.A N ALA 38.A O no hydrogen 3.036 N/A ARG 43.A N LEU 39.A O no hydrogen 3.060 N/A ARG 43.A NE PRO 15.A O no hydrogen 2.938 N/A ARG 43.A NH1 ASP 47.A OD1 no hydrogen 2.844 N/A ARG 43.A NH2 VAL 14.A O no hydrogen 2.825 N/A ARG 43.A NH2 PRO 15.A O no hydrogen 3.377 N/A MET 44.A N CYS 40.A O no hydrogen 2.960 N/A PHE 45.A N THR 41.A O no hydrogen 3.201 N/A THR 46.A N ILE 42.A O no hydrogen 2.895 N/A THR 46.A OG1 ILE 42.A O no hydrogen 2.840 N/A ASP 47.A N ARG 43.A O no hydrogen 2.846 N/A LEU 48.A N MET 44.A O no hydrogen 3.160 N/A ASN 49.A N THR 46.A O no hydrogen 2.910 N/A LEU 50.A N PHE 45.A O no hydrogen 2.956 N/A ASN 53.A N ASN 49.A O no hydrogen 2.934 N/A PHE 54.A N LEU 50.A O no hydrogen 3.134 N/A GLN 55.A N GLN 52.A O no hydrogen 3.258 N/A MET 56.A N VAL 51.A O no hydrogen 2.963 N/A LEU 61.A N LYS 57.A O no hydrogen 3.055 N/A CYS 62.A N HIS 58.A O no hydrogen 2.998 N/A CYS 62.A SG HIS 58.A NE2 no hydrogen 3.698 N/A CYS 62.A SG HIS 58.A O no hydrogen 3.327 N/A ARG 63.A N GLU 59.A O no hydrogen 3.107 N/A ARG 63.A NH2 GLU 59.A OE1 no hydrogen 2.808 N/A TRP 64.A N VAL 60.A O no hydrogen 2.823 N/A ILE 65.A N LEU 61.A O no hydrogen 2.911 N/A LEU 66.A N CYS 62.A O no hydrogen 3.093 N/A SER 67.A N ARG 63.A O no hydrogen 2.908 N/A SER 67.A OG ARG 63.A O no hydrogen 3.040 N/A SER 67.A OG ASN 154.A OD1 no hydrogen 2.588 N/A VAL 68.A N TRP 64.A O no hydrogen 2.903 N/A LYS 69.A N ILE 65.A O no hydrogen 2.893 N/A LYS 69.A NZ GLU 5.A OE2 no hydrogen 2.791 N/A LYS 70.A N LEU 66.A O no hydrogen 2.842 N/A ASN 71.A N SER 67.A O no hydrogen 3.048 N/A ASN 71.A N VAL 68.A O no hydrogen 3.024 N/A ASN 71.A ND2 SER 67.A O no hydrogen 2.682 N/A TYR 72.A N LYS 69.A O no hydrogen 3.238 N/A TYR 72.A OH LEU 117.A O no hydrogen 2.659 N/A VAL 76.A N ARG 73.A O no hydrogen 3.173 N/A ALA 77.A N GLY 246.A O no hydrogen 2.524 N/A TYR 78.A N GLU 241.A OE1 no hydrogen 2.821 N/A TYR 78.A OH HIS 83.A ND1 no hydrogen 3.083 N/A HIS 79.A N GLU 241.A OE1 no hydrogen 2.768 N/A HIS 79.A ND1 GLU 241.A OE2 no hydrogen 2.485 N/A ASN 80.A N TYR 78.A O no hydrogen 2.768 N/A ASN 80.A ND2 VAL 76.A O no hydrogen 2.767 N/A ASN 80.A ND2 ALA 77.A O no hydrogen 2.948 N/A TRP 81.A NE1 THR 37.A OG1 no hydrogen 2.916 N/A ARG 82.A NE ASP 34.A OD1 no hydrogen 3.436 N/A ARG 82.A NH1 ASP 29.A OD2 no hydrogen 2.864 N/A ARG 82.A NH1 LEU 32.A O no hydrogen 3.001 N/A ARG 82.A NH2 LEU 32.A O no hydrogen 2.824 N/A ARG 82.A NH2 ASP 34.A OD1 no hydrogen 2.905 N/A HIS 83.A N ASN 80.A OD1 no hydrogen 3.407 N/A ALA 84.A N ASN 80.A O no hydrogen 3.195 N/A PHE 85.A N TRP 81.A O no hydrogen 2.725 N/A ASN 86.A N ARG 82.A O no hydrogen 2.868 N/A ASN 86.A ND2 ASP 29.A OD1 no hydrogen 2.734 N/A ASN 86.A ND2 ARG 82.A O no hydrogen 2.916 N/A THR 87.A N HIS 83.A O no hydrogen 2.885 N/A THR 87.A OG1 HIS 83.A O no hydrogen 2.816 N/A ALA 88.A N ALA 84.A O no hydrogen 2.991 N/A GLN 89.A N PHE 85.A O no hydrogen 2.937 N/A GLN 89.A NE2 ILE 22.A O no hydrogen 2.817 N/A GLN 89.A NE2 ASP 24.A O no hydrogen 2.938 N/A CYS 90.A N ASN 86.A O no hydrogen 2.936 N/A MET 91.A N THR 87.A O no hydrogen 3.094 N/A PHE 92.A N ALA 88.A O no hydrogen 2.900 N/A ALA 93.A N GLN 89.A O no hydrogen 2.803 N/A ALA 94.A N CYS 90.A O no hydrogen 2.782 N/A LEU 95.A N MET 91.A O no hydrogen 2.888 N/A LYS 96.A N PHE 92.A O no hydrogen 2.899 N/A LYS 96.A NZ ASP 47.A O no hydrogen 2.764 N/A LYS 96.A NZ GLN 101.A OE1 no hydrogen 3.308 N/A GLY 98.A N ALA 93.A O no hydrogen 2.871 N/A LYS 99.A N LYS 96.A O no hydrogen 2.850 N/A ILE 100.A N ALA 94.A O no hydrogen 3.200 N/A GLN 101.A N LEU 95.A O no hydrogen 3.007 N/A LYS 103.A N ILE 100.A O no hydrogen 2.891 N/A LEU 104.A N GLN 101.A O no hydrogen 3.105 N/A THR 105.A N GLU 108.A OE1 no hydrogen 2.833 N/A GLU 108.A N THR 105.A OG1 no hydrogen 3.226 N/A ILE 109.A N THR 105.A O no hydrogen 3.059 N/A LEU 110.A N ASP 106.A O no hydrogen 2.897 N/A ALA 111.A N LEU 107.A O no hydrogen 2.931 N/A LEU 112.A N GLU 108.A O no hydrogen 2.909 N/A LEU 113.A N ILE 109.A O no hydrogen 3.102 N/A ILE 114.A N LEU 110.A O no hydrogen 3.178 N/A ALA 115.A N ALA 111.A O no hydrogen 2.819 N/A ALA 116.A N LEU 112.A O no hydrogen 2.877 N/A LEU 117.A N LEU 113.A O no hydrogen 3.191 N/A SER 118.A N ILE 114.A O no hydrogen 2.920 N/A SER 118.A OG ILE 114.A O no hydrogen 2.732 N/A HIS 119.A ND1 ALA 116.A O no hydrogen 2.644 N/A HIS 119.A NE2 HIS 83.A NE2 no hydrogen 3.155 N/A HIS 119.A NE2 ASP 220.A OD1 no hydrogen 3.084 N/A ASP 120.A N TYR 72.A OH no hydrogen 3.198 N/A LEU 121.A N SER 118.A O no hydrogen 3.201 N/A ASP 122.A N ASN 71.A O no hydrogen 2.986 N/A HIS 123.A N ASP 120.A O no hydrogen 3.035 N/A GLY 125.A N HIS 123.A ND1 no hydrogen 3.007 N/A VAL 126.A N GLU 241.A OE2 no hydrogen 3.044 N/A ASN 127.A ND2 PHE 242.A O no hydrogen 2.766 N/A ASN 128.A N GLY 125.A O no hydrogen 3.017 N/A ASN 128.A ND2 ARG 124.A O no hydrogen 3.391 N/A TYR 130.A N ASN 128.A O no hydrogen 2.643 N/A HIS 139.A N SER 135.A O no hydrogen 3.266 N/A HIS 140.A N ILE 136.A O no hydrogen 3.188 N/A HIS 140.A NE2 ASP 122.A OD2 no hydrogen 2.659 N/A HIS 141.A N MET 137.A O no hydrogen 2.957 N/A HIS 141.A ND1 LEU 121.A O no hydrogen 2.754 N/A PHE 142.A N GLU 138.A O no hydrogen 2.960 N/A ASP 143.A N HIS 139.A O no hydrogen 3.003 N/A GLN 144.A N HIS 140.A O no hydrogen 3.028 N/A CYS 145.A N HIS 141.A O no hydrogen 2.968 N/A CYS 145.A SG SER 118.A OG no hydrogen 3.437 N/A LEU 146.A N PHE 142.A O no hydrogen 2.841 N/A MET 147.A N ASP 143.A O no hydrogen 2.985 N/A ILE 148.A N GLN 144.A O no hydrogen 3.057 N/A LEU 149.A N CYS 145.A O no hydrogen 2.967 N/A ASN 150.A N LEU 146.A O no hydrogen 2.974 N/A ASN 150.A N MET 147.A O no hydrogen 3.297 N/A SER 151.A N ILE 148.A O no hydrogen 3.102 N/A SER 151.A OG MET 147.A O no hydrogen 2.869 N/A ASN 154.A N SER 151.A O no hydrogen 3.007 N/A ASN 154.A ND2 PRO 152.A O no hydrogen 2.996 N/A GLN 155.A NE2 SER 151.A O no hydrogen 3.238 N/A ILE 156.A N ASN 154.A O no hydrogen 2.908 N/A SER 158.A N GLN 155.A O no hydrogen 3.158 N/A SER 158.A OG GLN 155.A O no hydrogen 3.159 N/A LEU 160.A N LEU 157.A O no hydrogen 3.123 N/A SER 161.A N GLU 164.A OE2 no hydrogen 2.907 N/A GLU 164.A N SER 161.A OG no hydrogen 3.176 N/A TYR 165.A N SER 161.A O no hydrogen 2.779 N/A LYS 166.A N ILE 162.A O no hydrogen 2.897 N/A THR 167.A N GLU 163.A O no hydrogen 3.167 N/A THR 167.A OG1 GLU 163.A O no hydrogen 2.944 N/A THR 168.A N GLU 164.A O no hydrogen 2.856 N/A THR 168.A OG1 GLU 164.A O no hydrogen 2.835 N/A LEU 169.A N TYR 165.A O no hydrogen 2.917 N/A LYS 170.A N LYS 166.A O no hydrogen 3.133 N/A ILE 171.A N THR 167.A O no hydrogen 3.169 N/A ILE 172.A N THR 168.A O no hydrogen 2.843 N/A LYS 173.A N LEU 169.A O no hydrogen 2.854 N/A GLN 174.A N LYS 170.A O no hydrogen 3.027 N/A ALA 175.A N ILE 171.A O no hydrogen 2.872 N/A ILE 176.A N ILE 172.A O no hydrogen 2.989 N/A LEU 177.A N LYS 173.A O no hydrogen 2.934 N/A ALA 178.A N GLN 174.A O no hydrogen 2.792 N/A THR 179.A N ILE 176.A O no hydrogen 3.027 N/A THR 179.A OG1 ILE 176.A O no hydrogen 2.538 N/A ASP 180.A N LEU 177.A O no hydrogen 3.109 N/A ALA 182.A N ASP 180.A OD1 no hydrogen 3.187 N/A LEU 183.A N ASP 180.A O no hydrogen 2.807 N/A TYR 184.A N ASP 180.A O no hydrogen 3.256 N/A TYR 184.A OH ILE 263.A O no hydrogen 2.804 N/A ILE 185.A N LEU 181.A O no hydrogen 2.961 N/A LYS 186.A N ALA 182.A O no hydrogen 3.068 N/A ARG 187.A N LEU 183.A O no hydrogen 2.952 N/A ARG 187.A N TYR 184.A O no hydrogen 3.164 N/A ARG 188.A N TYR 184.A O no hydrogen 2.818 N/A ARG 188.A NH1 TYR 184.A OH no hydrogen 3.481 N/A ARG 188.A NH1 ALA 262.A O no hydrogen 2.824 N/A ARG 188.A NH2 ALA 262.A O no hydrogen 3.218 N/A PHE 192.A N ARG 188.A O no hydrogen 2.750 N/A GLU 193.A N GLY 189.A O no hydrogen 2.733 N/A LEU 194.A N GLU 190.A O no hydrogen 2.970 N/A ILE 195.A N PHE 191.A O no hydrogen 3.139 N/A ARG 196.A N PHE 192.A O no hydrogen 2.815 N/A LYS 197.A N GLU 193.A O no hydrogen 3.060 N/A LYS 197.A NZ GLU 193.A OE2 no hydrogen 2.935 N/A ASN 198.A N ILE 195.A O no hydrogen 3.026 N/A GLN 199.A N LEU 194.A O no hydrogen 2.742 N/A ASN 201.A N GLN 207.A OE1 no hydrogen 2.528 N/A ASN 201.A ND2 GLU 203.A OE1 no hydrogen 3.100 N/A ASP 204.A N ASN 201.A O no hydrogen 3.162 N/A HIS 206.A NE2 GLU 190.A OE1 no hydrogen 2.885 N/A HIS 206.A NE2 GLU 190.A OE2 no hydrogen 2.878 N/A GLN 207.A N ASP 204.A OD1 no hydrogen 3.216 N/A LYS 208.A N ASP 204.A O no hydrogen 2.851 N/A LYS 208.A NZ GLU 108.A OE1 no hydrogen 2.966 N/A LYS 208.A NZ GLU 108.A OE2 no hydrogen 3.169 N/A GLU 209.A N PRO 205.A O no hydrogen 3.052 N/A LEU 210.A N HIS 206.A O no hydrogen 3.004 N/A PHE 211.A N GLN 207.A O no hydrogen 2.856 N/A LEU 212.A N LYS 208.A O no hydrogen 2.977 N/A ALA 213.A N GLU 209.A O no hydrogen 3.133 N/A MET 214.A N LEU 210.A O no hydrogen 3.083 N/A LEU 215.A N PHE 211.A O no hydrogen 2.883 N/A MET 216.A N LEU 212.A O no hydrogen 3.079 N/A THR 217.A N ALA 213.A O no hydrogen 3.142 N/A THR 217.A OG1 ALA 213.A O no hydrogen 3.348 N/A ALA 218.A N MET 214.A O no hydrogen 2.921 N/A CYS 219.A N LEU 215.A O no hydrogen 3.000 N/A CYS 219.A SG LEU 215.A O no hydrogen 3.450 N/A ASP 220.A N MET 216.A O no hydrogen 2.871 N/A LEU 221.A N THR 217.A O no hydrogen 2.964 N/A SER 222.A N CYS 219.A O no hydrogen 3.239 N/A SER 222.A OG CYS 219.A O no hydrogen 2.640 N/A ILE 224.A N LEU 221.A O no hydrogen 3.001 N/A THR 225.A N SER 222.A O no hydrogen 2.977 N/A THR 225.A OG1 SER 222.A O no hydrogen 2.724 N/A LYS 226.A N ALA 223.A O no hydrogen 3.308 N/A LYS 226.A NZ PHE 25.A O no hydrogen 2.950 N/A LYS 226.A NZ PHE 27.A O no hydrogen 2.864 N/A LYS 226.A NZ GLN 89.A OE1 no hydrogen 3.555 N/A GLN 231.A N PRO 227.A O no hydrogen 2.963 N/A GLN 231.A NE2 ALA 223.A O no hydrogen 2.974 N/A GLN 232.A N TRP 228.A O no hydrogen 2.891 N/A ARG 233.A N PRO 229.A O no hydrogen 3.440 N/A ARG 233.A NH1 GLU 236.A OE2 no hydrogen 3.190 N/A ILE 234.A N ILE 230.A O no hydrogen 2.967 N/A ALA 235.A N GLN 231.A O no hydrogen 2.784 N/A GLU 236.A N GLN 232.A O no hydrogen 2.920 N/A LEU 237.A N ARG 233.A O no hydrogen 3.024 N/A VAL 238.A N ILE 234.A O no hydrogen 2.984 N/A ALA 239.A N ALA 235.A O no hydrogen 2.872 N/A THR 240.A N GLU 236.A O no hydrogen 3.014 N/A THR 240.A OG1 GLU 236.A O no hydrogen 2.843 N/A GLU 241.A N LEU 237.A O no hydrogen 3.070 N/A PHE 242.A N VAL 238.A O no hydrogen 2.851 N/A PHE 243.A N ALA 239.A O no hydrogen 2.748 N/A GLY 246.A N THR 240.A O no hydrogen 3.278 N/A ASN 250.A N GLU 247.A O no hydrogen 2.800 N/A SER 254.A OG LYS 251.A O no hydrogen 2.847 N/A MET 255.A N LYS 251.A O no hydrogen 3.143 N/A GLN 256.A N ILE 252.A O no hydrogen 2.803 N/A GLN 256.A NE2 GLN 231.A OE1 no hydrogen 3.004 N/A VAL 257.A N PRO 253.A O no hydrogen 2.984 N/A GLY 258.A N SER 254.A O no hydrogen 2.847 N/A PHE 259.A N MET 255.A O no hydrogen 2.821 N/A ILE 260.A N GLN 256.A O no hydrogen 2.880 N/A ASP 261.A N VAL 257.A O no hydrogen 2.940 N/A ALA 262.A N GLY 258.A O no hydrogen 2.954 N/A ILE 263.A N PHE 259.A O no hydrogen 2.873 N/A CYS 264.A N PHE 259.A O no hydrogen 3.500 N/A CYS 264.A SG PHE 259.A O no hydrogen 4.006 N/A LEU 265.A N ILE 260.A O no hydrogen 2.915 N/A TYR 268.A N CYS 264.A O no hydrogen 3.109 N/A TYR 268.A OH ALA 218.A O no hydrogen 2.652 N/A GLU 269.A N LEU 265.A O no hydrogen 2.887 N/A ALA 270.A N GLN 266.A O no hydrogen 2.841 N/A LEU 271.A N LEU 267.A O no hydrogen 2.874 N/A THR 272.A N TYR 268.A O no hydrogen 3.106 N/A THR 272.A OG1 TYR 268.A O no hydrogen 2.874 N/A HIS 273.A N GLU 269.A O no hydrogen 3.272 N/A HIS 273.A N ALA 270.A O no hydrogen 3.025 N/A VAL 274.A N ALA 270.A O no hydrogen 3.204 N/A SER 275.A N LEU 271.A O no hydrogen 2.945 N/A SER 275.A OG GLY 98.A O no hydrogen 2.655 N/A GLU 276.A N GLU 276.A OE2 no hydrogen 2.655 N/A CYS 278.A N SER 275.A O no hydrogen 2.931 N/A CYS 278.A SG GLY 98.A O no hydrogen 3.972 N/A PHE 279.A N GLU 276.A O no hydrogen 3.010 N/A LEU 281.A N CYS 278.A O no hydrogen 3.020 N/A ASP 283.A N PHE 279.A O no hydrogen 2.782 N/A GLY 284.A N PRO 280.A O no hydrogen 2.876 N/A CYS 285.A N LEU 281.A O no hydrogen 2.998 N/A ARG 286.A N LEU 282.A O no hydrogen 2.961 N/A LYS 287.A N ASP 283.A O no hydrogen 3.002 N/A LYS 287.A NZ ASP 283.A OD1 no hydrogen 3.552 N/A ASN 288.A N GLY 284.A O no hydrogen 3.067 N/A ASN 288.A ND2 ILE 224.A O no hydrogen 2.835 N/A ASN 288.A ND2 LYS 226.A O no hydrogen 2.851 N/A ARG 289.A N CYS 285.A O no hydrogen 3.071 N/A ARG 289.A NE ASP 261.A OD1 no hydrogen 2.660 N/A ARG 289.A NE ASP 261.A OD2 no hydrogen 3.343 N/A ARG 289.A NH2 ASP 261.A OD2 no hydrogen 2.719 N/A GLN 290.A N ARG 286.A O no hydrogen 3.129 N/A LYS 291.A N LYS 287.A O no hydrogen 3.205 N/A TRP 292.A N ASN 288.A O no hydrogen 2.887 N/A TRP 292.A NE1 GLN 231.A OE1 no hydrogen 2.802 N/A GLN 293.A N ARG 289.A O no hydrogen 2.788 N/A ALA 294.A N GLN 290.A O no hydrogen 2.980 N/A LEU 295.A N LYS 291.A O no hydrogen 3.268 N/A ALA 296.A N TRP 292.A O no hydrogen 2.857 N/A GLU 297.A N GLN 293.A O no hydrogen 2.981 N/A GLU 297.A N ALA 294.A O no hydrogen 3.259 N/A GLN 298.A N LEU 295.A O no hydrogen 2.684 N/A GLN 298.A NE2 ALA 296.A O no hydrogen 3.232 N/A