Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1a8q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PRO 1.A N TYR 13.A O no hydrogen 2.857 N/A CYS 3.A N ILE 11.A O no hydrogen 2.821 N/A CYS 3.A SG THR 4.A O no hydrogen 4.000 N/A CYS 3.A SG ASP 82.A OD2 no hydrogen 3.881 N/A THR 5.A N VAL 9.A O no hydrogen 2.857 N/A ARG 6.A N ASP 78.A OD2 no hydrogen 2.864 N/A ARG 6.A NH1 ASP 75.A OD1 no hydrogen 2.789 N/A ARG 6.A NH1 ASP 78.A OD2 no hydrogen 2.769 N/A ARG 6.A NH2 THR 71.A O no hydrogen 3.569 N/A ARG 6.A NH2 ASP 75.A OD1 no hydrogen 2.999 N/A ASP 7.A N THR 5.A OG1 no hydrogen 3.234 N/A GLY 8.A N THR 5.A O no hydrogen 2.934 N/A VAL 9.A N THR 5.A OG1 no hydrogen 3.160 N/A GLU 10.A N THR 61.A OG1 no hydrogen 2.804 N/A ILE 11.A N CYS 3.A O no hydrogen 2.782 N/A PHE 12.A N SER 60.A OG no hydrogen 2.914 N/A TYR 13.A N PRO 1.A O no hydrogen 2.895 N/A LYS 14.A N ALA 51.A O no hydrogen 2.929 N/A LYS 14.A NZ ASP 33.A OD1 no hydrogen 2.772 N/A TRP 16.A N GLY 49.A O no hydrogen 2.852 N/A ARG 20.A NH1 ASP 87.A O no hydrogen 2.877 N/A ARG 20.A NH1 THR 89.A OG1 no hydrogen 2.926 N/A ARG 20.A NH2 THR 89.A OG1 no hydrogen 3.150 N/A ARG 20.A NH2 LEU 272.A O no hydrogen 2.920 N/A VAL 22.A N ARG 48.A O no hydrogen 2.801 N/A VAL 23.A N THR 89.A O no hydrogen 2.885 N/A PHE 24.A N ILE 50.A O no hydrogen 2.817 N/A ILE 25.A N VAL 91.A O no hydrogen 2.748 N/A HIS 26.A ND1 GLY 27.A O no hydrogen 2.832 N/A TRP 28.A NE1 GLY 192.A O no hydrogen 2.959 N/A LEU 30.A N GLY 27.A O no hydrogen 3.030 N/A ASN 31.A ND2 MET 183.A O no hydrogen 3.639 N/A GLY 32.A N ASP 53.A OD1 no hydrogen 2.778 N/A ASP 33.A N ASN 31.A OD1 no hydrogen 2.866 N/A ALA 34.A N ASN 31.A O no hydrogen 3.037 N/A TRP 35.A N GLY 32.A O no hydrogen 3.021 N/A GLN 36.A N ASP 33.A O no hydrogen 3.375 N/A GLN 36.A NE2 ASP 33.A OD1 no hydrogen 3.038 N/A GLN 38.A NE2 ALA 255.A O no hydrogen 2.956 N/A GLN 38.A NE2 ASN 265.A OD1 no hydrogen 3.128 N/A LEU 39.A N TRP 35.A O no hydrogen 2.849 N/A LYS 40.A N GLN 36.A O no hydrogen 3.130 N/A LYS 40.A NZ ASP 44.A OD2 no hydrogen 2.799 N/A ALA 41.A N ASP 37.A O no hydrogen 3.129 N/A VAL 42.A N GLN 38.A O no hydrogen 2.937 N/A VAL 43.A N LEU 39.A O no hydrogen 3.056 N/A ASP 44.A N LYS 40.A O no hydrogen 2.910 N/A ALA 45.A N ALA 41.A O no hydrogen 3.311 N/A ALA 45.A N VAL 42.A O no hydrogen 3.152 N/A GLY 46.A N VAL 43.A O no hydrogen 2.997 N/A TYR 47.A N VAL 42.A O no hydrogen 3.052 N/A ARG 48.A N ARG 20.A O no hydrogen 3.046 N/A ARG 48.A NE ASP 15.A OD1 no hydrogen 2.862 N/A ARG 48.A NH2 ASP 15.A OD2 no hydrogen 2.813 N/A GLY 49.A N TRP 16.A O no hydrogen 2.844 N/A ILE 50.A N VAL 22.A O no hydrogen 2.870 N/A ALA 51.A N LYS 14.A O no hydrogen 3.010 N/A HIS 52.A N HIS 52.A ND1 no hydrogen 2.896 N/A HIS 52.A NE2 GLU 99.A OE2 no hydrogen 2.879 N/A ASP 53.A N PHE 12.A O no hydrogen 2.876 N/A ARG 54.A N HIS 26.A NE2 no hydrogen 2.941 N/A ARG 54.A NE GLU 99.A OE1 no hydrogen 2.965 N/A ARG 54.A NH1 HIS 26.A O no hydrogen 2.922 N/A ARG 54.A NH2 HIS 26.A O no hydrogen 2.956 N/A ARG 54.A NH2 GLU 99.A OE1 no hydrogen 2.817 N/A ARG 55.A NE ASP 65.A O no hydrogen 3.238 N/A ARG 55.A NH1 ASP 75.A OD2 no hydrogen 2.942 N/A ARG 55.A NH2 ASP 65.A O no hydrogen 3.069 N/A GLY 56.A N THR 61.A O no hydrogen 2.875 N/A HIS 57.A N ARG 54.A O no hydrogen 2.929 N/A HIS 57.A ND1 ARG 55.A O no hydrogen 2.844 N/A HIS 59.A N ASP 53.A OD2 no hydrogen 2.915 N/A SER 60.A N HIS 57.A O no hydrogen 2.972 N/A SER 60.A OG ASP 53.A O no hydrogen 2.629 N/A THR 61.A N GLU 10.A O no hydrogen 2.940 N/A THR 61.A OG1 GLU 10.A O no hydrogen 3.452 N/A VAL 63.A N THR 61.A O no hydrogen 2.800 N/A TYR 67.A OH VAL 63.A O no hydrogen 2.627 N/A THR 71.A N ASP 68.A OD1 no hydrogen 2.911 N/A THR 71.A OG1 ASP 68.A OD1 no hydrogen 3.207 N/A THR 71.A OG1 ASP 68.A OD2 no hydrogen 2.861 N/A PHE 72.A N ASP 68.A O no hydrogen 3.001 N/A ALA 73.A N PHE 69.A O no hydrogen 2.903 N/A ASP 74.A N ASP 70.A O no hydrogen 3.030 N/A ASP 75.A N THR 71.A O no hydrogen 2.875 N/A LEU 76.A N PHE 72.A O no hydrogen 3.001 N/A ASN 77.A N ALA 73.A O no hydrogen 2.858 N/A ASP 78.A N ASP 74.A O no hydrogen 2.919 N/A LEU 79.A N ASP 75.A O no hydrogen 3.142 N/A LEU 80.A N LEU 76.A O no hydrogen 2.976 N/A THR 81.A N ASN 77.A O no hydrogen 2.884 N/A THR 81.A OG1 ASN 77.A O no hydrogen 2.787 N/A ASP 82.A N ASP 78.A O no hydrogen 2.862 N/A LEU 83.A N LEU 79.A O no hydrogen 3.183 N/A ASP 84.A N THR 81.A O no hydrogen 3.056 N/A LEU 85.A N LEU 80.A O no hydrogen 2.959 N/A VAL 88.A N ARG 111.A O no hydrogen 2.930 N/A THR 89.A N PRO 21.A O no hydrogen 3.004 N/A THR 89.A OG1 SER 114.A OG no hydrogen 2.682 N/A LEU 90.A N SER 114.A O no hydrogen 3.190 N/A VAL 91.A N VAL 23.A O no hydrogen 2.883 N/A ALA 92.A N VAL 116.A O no hydrogen 2.902 N/A HIS 93.A N ILE 25.A O no hydrogen 2.965 N/A HIS 93.A NE2 HIS 252.A O no hydrogen 2.838 N/A SER 94.A N LEU 118.A O no hydrogen 3.063 N/A SER 94.A OG HIS 252.A NE2 no hydrogen 2.664 N/A GLY 96.A N HIS 93.A O no hydrogen 2.853 N/A GLY 97.A N SER 94.A O no hydrogen 2.926 N/A GLY 98.A N MET 95.A O no hydrogen 2.916 N/A LEU 100.A N GLY 96.A O no hydrogen 2.992 N/A ALA 101.A N GLY 97.A O no hydrogen 2.900 N/A ARG 102.A N GLY 98.A O no hydrogen 2.920 N/A ARG 102.A NE ASP 207.A OD2 no hydrogen 2.798 N/A ARG 102.A NH1 ASP 70.A OD1 no hydrogen 2.901 N/A ARG 102.A NH2 ASP 207.A OD2 no hydrogen 3.243 N/A TYR 103.A N GLU 99.A O no hydrogen 2.934 N/A VAL 104.A N LEU 100.A O no hydrogen 3.089 N/A GLY 105.A N ALA 101.A O no hydrogen 2.960 N/A ARG 106.A N ARG 102.A O no hydrogen 2.911 N/A ARG 106.A NE ASP 74.A OD1 no hydrogen 2.924 N/A ARG 106.A NH2 ASP 74.A OD1 no hydrogen 3.566 N/A ARG 106.A NH2 ASP 74.A OD2 no hydrogen 2.873 N/A HIS 107.A N TYR 103.A O no hydrogen 2.826 N/A HIS 107.A NE2 ASP 74.A OD1 no hydrogen 2.764 N/A GLY 108.A N VAL 104.A O no hydrogen 2.928 N/A THR 109.A OG1 ASP 212.A OD1 no hydrogen 2.630 N/A THR 109.A OG1 ASP 212.A OD2 no hydrogen 3.514 N/A ARG 111.A NH1 ASP 84.A OD1 no hydrogen 2.975 N/A ARG 111.A NH1 LEU 85.A O no hydrogen 2.943 N/A LEU 112.A N THR 109.A O no hydrogen 2.922 N/A ARG 113.A N VAL 88.A O no hydrogen 2.748 N/A SER 114.A N VAL 88.A O no hydrogen 3.429 N/A SER 114.A OG THR 89.A OG1 no hydrogen 2.682 N/A ALA 115.A N PRO 214.A O no hydrogen 3.077 N/A VAL 116.A N LEU 90.A O no hydrogen 2.806 N/A LEU 117.A N LEU 216.A O no hydrogen 2.815 N/A LEU 118.A N ALA 92.A O no hydrogen 2.773 N/A SER 119.A N VAL 218.A O no hydrogen 2.876 N/A ILE 121.A N SER 94.A O no hydrogen 3.350 N/A LYS 127.A N VAL 135.A O no hydrogen 2.827 N/A SER 128.A N ASN 131.A O no hydrogen 3.138 N/A ASN 131.A N SER 128.A O no hydrogen 3.060 N/A ASN 131.A N SER 128.A OG no hydrogen 3.268 N/A ASN 131.A ND2 VAL 124.A O no hydrogen 3.278 N/A ASN 131.A ND2 ILE 126.A O no hydrogen 2.958 N/A GLY 134.A N ASN 131.A O no hydrogen 3.124 N/A VAL 135.A N MET 125.A O no hydrogen 2.765 N/A VAL 139.A N PRO 136.A O no hydrogen 3.018 N/A ASP 141.A N ASP 137.A O no hydrogen 2.971 N/A ALA 142.A N GLU 138.A O no hydrogen 3.007 N/A LEU 143.A N VAL 139.A O no hydrogen 2.931 N/A LYS 144.A N PHE 140.A O no hydrogen 3.064 N/A LYS 144.A NZ ASP 197.A OD1 no hydrogen 2.718 N/A ASN 145.A N ASP 141.A O no hydrogen 2.903 N/A GLY 146.A N ALA 142.A O no hydrogen 2.891 N/A VAL 147.A N LEU 143.A O no hydrogen 3.136 N/A LEU 148.A N LYS 144.A O no hydrogen 3.055 N/A THR 149.A N ASN 145.A O no hydrogen 2.905 N/A THR 149.A OG1 ASN 145.A O no hydrogen 2.682 N/A GLU 150.A N GLY 146.A O no hydrogen 3.277 N/A ARG 151.A NH1 MET 185.A O no hydrogen 3.514 N/A SER 152.A N GLU 150.A OE2 no hydrogen 2.962 N/A GLN 153.A N GLU 150.A OE1 no hydrogen 2.814 N/A GLN 153.A NE2 ASP 157.A OD1 no hydrogen 3.053 N/A PHE 154.A N GLU 150.A O no hydrogen 3.025 N/A TRP 155.A N ARG 151.A O no hydrogen 2.979 N/A LYS 156.A N SER 152.A O no hydrogen 3.353 N/A ASP 157.A N GLN 153.A O no hydrogen 2.929 N/A THR 158.A N PHE 154.A O no hydrogen 2.844 N/A THR 158.A OG1 PHE 154.A O no hydrogen 2.646 N/A ALA 159.A N TRP 155.A O no hydrogen 2.997 N/A GLU 160.A N ASP 157.A O no hydrogen 3.410 N/A PHE 162.A N THR 158.A O no hydrogen 3.016 N/A PHE 163.A N ALA 159.A O no hydrogen 3.149 N/A SER 164.A N GLY 161.A O no hydrogen 3.193 N/A SER 164.A OG ASP 222.A O no hydrogen 2.827 N/A SER 164.A OG ASP 222.A OD2 no hydrogen 3.294 N/A ALA 165.A N GLU 160.A O no hydrogen 2.872 N/A ASN 166.A ND2 GLN 224.A OE1 no hydrogen 3.224 N/A ARG 167.A N SER 164.A O no hydrogen 3.190 N/A ARG 167.A NE ASP 222.A OD2 no hydrogen 2.957 N/A ARG 167.A NH2 ASP 222.A OD1 no hydrogen 2.855 N/A ASN 170.A N ARG 167.A O no hydrogen 3.211 N/A ASN 170.A ND2 ARG 167.A O no hydrogen 2.657 N/A VAL 172.A N ASN 170.A OD1 no hydrogen 2.976 N/A THR 173.A N ASN 176.A OD1 no hydrogen 3.065 N/A GLN 174.A NE2 ASP 178.A OD1 no hydrogen 2.974 N/A ASN 176.A N THR 173.A O no hydrogen 3.086 N/A ASN 176.A N THR 173.A OG1 no hydrogen 2.836 N/A ASN 176.A ND2 MET 256.A O no hydrogen 3.005 N/A LYS 177.A N THR 173.A O no hydrogen 3.473 N/A LYS 177.A NZ GLU 160.A OE1 no hydrogen 3.289 N/A LYS 177.A NZ GLU 160.A OE2 no hydrogen 2.888 N/A ASP 178.A N GLN 174.A O no hydrogen 2.869 N/A ALA 179.A N GLY 175.A O no hydrogen 2.851 N/A PHE 180.A N ASN 176.A O no hydrogen 3.013 N/A TRP 181.A N LYS 177.A O no hydrogen 3.087 N/A TRP 181.A NE1 SER 152.A OG no hydrogen 2.897 N/A TYR 182.A N ASP 178.A O no hydrogen 2.955 N/A MET 183.A N ALA 179.A O no hydrogen 2.948 N/A ALA 184.A N PHE 180.A O no hydrogen 2.941 N/A MET 185.A N TRP 181.A O no hydrogen 2.985 N/A ALA 186.A N MET 183.A O no hydrogen 3.216 N/A GLN 187.A N ALA 184.A O no hydrogen 2.951 N/A THR 188.A N GLY 56.A O no hydrogen 2.964 N/A THR 188.A OG1 TYR 67.A OH no hydrogen 2.800 N/A GLY 191.A N THR 188.A OG1 no hydrogen 2.872 N/A GLY 192.A N THR 188.A O no hydrogen 2.973 N/A VAL 193.A N ILE 189.A O no hydrogen 3.131 N/A ARG 194.A N GLU 190.A O no hydrogen 2.842 N/A ARG 194.A NH1 GLU 190.A OE2 no hydrogen 3.098 N/A ARG 194.A NH2 ASP 197.A OD2 no hydrogen 2.628 N/A CYS 195.A N GLY 191.A O no hydrogen 3.012 N/A CYS 195.A SG GLY 191.A O no hydrogen 3.197 N/A VAL 196.A N VAL 193.A O no hydrogen 3.097 N/A ALA 198.A N ARG 194.A O no hydrogen 3.016 N/A PHE 199.A N CYS 195.A O no hydrogen 2.717 N/A GLY 200.A N VAL 196.A O no hydrogen 2.851 N/A TYR 201.A OH ASP 137.A OD1 no hydrogen 2.582 N/A THR 202.A N ALA 198.A O no hydrogen 3.275 N/A THR 202.A OG1 ALA 198.A O no hydrogen 2.713 N/A PHE 204.A N PRO 123.A O no hydrogen 2.726 N/A THR 205.A N ASP 203.A OD1 no hydrogen 2.772 N/A THR 205.A OG1 ASP 203.A OD1 no hydrogen 2.683 N/A LEU 208.A N PHE 204.A O no hydrogen 3.058 N/A LYS 209.A N THR 205.A O no hydrogen 3.338 N/A LYS 209.A NZ GLU 206.A OE2 no hydrogen 2.783 N/A LYS 210.A N ASP 207.A O no hydrogen 3.070 N/A PHE 211.A N LEU 208.A O no hydrogen 3.192 N/A THR 215.A OG1 ILE 213.A O no hydrogen 3.077 N/A LEU 216.A N ALA 115.A O no hydrogen 2.944 N/A VAL 217.A N GLU 243.A O no hydrogen 2.797 N/A VAL 218.A N LEU 117.A O no hydrogen 2.930 N/A HIS 219.A N LYS 245.A O no hydrogen 3.190 N/A HIS 219.A NE2 VAL 226.A O no hydrogen 2.914 N/A ASP 221.A N TYR 247.A O no hydrogen 3.121 N/A ASP 222.A N SER 250.A O no hydrogen 3.043 N/A GLN 224.A NE2 ASN 166.A OD1 no hydrogen 2.934 N/A VAL 225.A N ASP 223.A OD1 no hydrogen 2.921 N/A VAL 226.A N ASP 223.A OD1 no hydrogen 2.839 N/A ALA 230.A N PRO 227.A O no hydrogen 3.268 N/A THR 231.A N PRO 227.A O no hydrogen 3.241 N/A THR 231.A N ILE 228.A O no hydrogen 3.249 N/A THR 231.A OG1 PRO 227.A O no hydrogen 2.762 N/A GLY 232.A N THR 231.A OG1 no hydrogen 2.713 N/A ARG 233.A N ILE 228.A O no hydrogen 3.133 N/A ARG 233.A NE ASP 229.A OD1 no hydrogen 2.924 N/A SER 235.A N THR 231.A O no hydrogen 2.854 N/A SER 235.A OG THR 231.A O no hydrogen 3.480 N/A SER 235.A OG GLY 232.A O no hydrogen 3.304 N/A ALA 236.A N GLY 232.A O no hydrogen 3.252 N/A GLN 237.A N LYS 234.A O no hydrogen 3.055 N/A ILE 238.A N LYS 234.A O no hydrogen 3.165 N/A ILE 238.A N SER 235.A O no hydrogen 3.222 N/A ILE 239.A N SER 235.A O no hydrogen 2.935 N/A ALA 242.A N ILE 239.A O no hydrogen 3.328 N/A GLU 243.A N THR 215.A O no hydrogen 2.936 N/A LYS 245.A N VAL 217.A O no hydrogen 2.840 N/A LYS 245.A NZ ASP 267.A OD1 no hydrogen 3.094 N/A LYS 245.A NZ GLU 270.A OE2 no hydrogen 3.464 N/A TYR 247.A N HIS 219.A O no hydrogen 2.807 N/A TYR 247.A OH ASP 267.A OD2 no hydrogen 2.595 N/A GLY 249.A N ASP 221.A OD1 no hydrogen 2.724 N/A SER 250.A N TYR 247.A O no hydrogen 3.242 N/A SER 250.A OG ASP 260.A OD2 no hydrogen 2.684 N/A HIS 252.A ND1 ASP 223.A OD2 no hydrogen 2.782 N/A HIS 252.A NE2 SER 94.A OG no hydrogen 2.664 N/A GLY 253.A N SER 251.A OG no hydrogen 3.021 N/A MET 256.A N GLY 253.A O no hydrogen 2.991 N/A VAL 257.A N GLY 253.A O no hydrogen 3.256 N/A GLY 259.A N GLU 262.A OE1 no hydrogen 2.654 N/A LYS 261.A N VAL 257.A O no hydrogen 2.937 N/A LYS 261.A NZ ASP 37.A OD1 no hydrogen 2.842 N/A LYS 261.A NZ ASP 37.A OD2 no hydrogen 3.260 N/A LYS 263.A N GLY 259.A O no hydrogen 3.171 N/A PHE 264.A N ASP 260.A O no hydrogen 2.919 N/A ASN 265.A N LYS 261.A O no hydrogen 2.988 N/A ARG 266.A N GLU 262.A O no hydrogen 3.007 N/A ASP 267.A N LYS 263.A O no hydrogen 3.037 N/A LEU 268.A N PHE 264.A O no hydrogen 2.827 N/A LEU 269.A N ASN 265.A O no hydrogen 2.943 N/A GLU 270.A N ARG 266.A O no hydrogen 3.069 N/A PHE 271.A N ASP 267.A O no hydrogen 3.024 N/A LEU 272.A N LEU 268.A O no hydrogen 2.867 N/A ASN 273.A N GLU 270.A O no hydrogen 3.262 N/A ASN 273.A ND2 LEU 269.A O no hydrogen 2.987 N/A LYS 274.A N PHE 271.A O no hydrogen 3.022 N/A LYS 274.A NZ GLU 243.A OE2 no hydrogen 3.180 N/A