Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3n6i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 4.A N ASP 1.A OD2 no hydrogen 3.028 N/A ARG 5.A N ASP 1.A O no hydrogen 3.091 N/A ARG 5.A NH2 GLU 8.A OE2 no hydrogen 3.503 N/A PHE 6.A N LEU 2.A O no hydrogen 2.813 N/A ALA 7.A N ALA 3.A O no hydrogen 2.890 N/A GLU 8.A N ASP 4.A O no hydrogen 2.929 N/A LEU 9.A N ARG 5.A O no hydrogen 3.142 N/A GLU 10.A N PHE 6.A O no hydrogen 3.036 N/A ARG 11.A N ALA 7.A O no hydrogen 3.132 N/A ARG 12.A N GLU 8.A O no hydrogen 2.923 N/A ARG 12.A NH1 GLU 255.A OE2 no hydrogen 3.139 N/A TYR 13.A N LEU 9.A O no hydrogen 3.031 N/A TYR 13.A OH GLU 255.A OE2 no hydrogen 2.497 N/A ASP 14.A N ARG 11.A O no hydrogen 3.383 N/A ALA 15.A N GLU 10.A O no hydrogen 2.976 N/A ARG 16.A N ASP 238.A O no hydrogen 2.906 N/A ARG 16.A NE ASP 238.A OD1 no hydrogen 3.218 N/A ARG 16.A NH1 ARG 37.A O no hydrogen 2.828 N/A ARG 16.A NH1 ASP 238.A OD2 no hydrogen 2.780 N/A ARG 16.A NH2 GLU 36.A OE1 no hydrogen 2.916 N/A ARG 16.A NH2 ARG 37.A O no hydrogen 3.020 N/A LEU 17.A N GLU 10.A OE2 no hydrogen 2.704 N/A GLY 18.A N MET 236.A O no hydrogen 2.784 N/A VAL 19.A N TYR 32.A O no hydrogen 2.832 N/A TYR 20.A N ALA 234.A O no hydrogen 3.006 N/A VAL 21.A N ILE 30.A O no hydrogen 2.811 N/A THR 24.A N THR 27.A O no hydrogen 2.900 N/A THR 24.A OG1 THR 27.A OG1 no hydrogen 2.782 N/A THR 26.A N THR 24.A OG1 no hydrogen 3.243 N/A THR 27.A N THR 24.A OG1 no hydrogen 3.027 N/A THR 27.A OG1 THR 24.A OG1 no hydrogen 2.782 N/A ILE 30.A N VAL 21.A O no hydrogen 2.795 N/A TYR 32.A N VAL 19.A O no hydrogen 2.950 N/A TYR 32.A OH GLU 10.A OE1 no hydrogen 2.708 N/A ARG 33.A NE GLU 10.A OE1 no hydrogen 3.437 N/A ARG 33.A NE GLU 10.A OE2 no hydrogen 2.646 N/A ARG 33.A NH1 GLU 36.A OE2 no hydrogen 3.242 N/A ARG 33.A NH2 GLU 10.A OE1 no hydrogen 3.025 N/A GLU 36.A N ARG 33.A O no hydrogen 3.139 N/A ARG 37.A NH1 VAL 133.A O no hydrogen 2.851 N/A ARG 37.A NH1 THR 154.A OG1 no hydrogen 3.022 N/A ARG 37.A NH2 VAL 133.A O no hydrogen 3.071 N/A PHE 38.A N THR 155.A O no hydrogen 2.954 N/A PHE 40.A N ASP 153.A O no hydrogen 2.951 N/A SER 42.A OG SER 100.A OG no hydrogen 2.906 N/A THR 43.A N PHE 40.A O no hydrogen 3.216 N/A THR 43.A OG1 PHE 40.A O no hydrogen 2.723 N/A LYS 45.A N SER 42.A O no hydrogen 3.065 N/A LYS 45.A NZ SER 42.A OG no hydrogen 2.819 N/A LYS 45.A NZ SER 100.A OG no hydrogen 2.957 N/A ALA 46.A N THR 43.A O no hydrogen 3.361 N/A LEU 48.A N PHE 44.A O no hydrogen 2.890 N/A VAL 49.A N LYS 45.A O no hydrogen 3.024 N/A ALA 50.A N ALA 46.A O no hydrogen 3.228 N/A ALA 51.A N PRO 47.A O no hydrogen 2.855 N/A VAL 52.A N LEU 48.A O no hydrogen 3.059 N/A LEU 53.A N VAL 49.A O no hydrogen 2.951 N/A HIS 54.A N ALA 50.A O no hydrogen 2.903 N/A GLN 55.A N ALA 51.A O no hydrogen 2.904 N/A ASN 56.A N LEU 53.A O no hydrogen 3.412 N/A ASN 56.A ND2 VAL 52.A O no hydrogen 2.853 N/A HIS 60.A N PRO 57.A O no hydrogen 3.025 N/A HIS 60.A NE2 ASP 111.A OD2 no hydrogen 2.653 N/A LEU 61.A N LEU 58.A O no hydrogen 3.119 N/A ASP 62.A N THR 59.A O no hydrogen 3.079 N/A LYS 63.A N HIS 60.A O no hydrogen 3.064 N/A ILE 65.A N MET 87.A O no hydrogen 2.750 N/A TYR 67.A OH ALA 79.A O no hydrogen 2.616 N/A THR 68.A N ASP 71.A OD2 no hydrogen 2.647 N/A THR 68.A OG1 ASP 70.A OD1 no hydrogen 2.648 N/A THR 68.A OG1 ASP 71.A OD2 no hydrogen 3.000 N/A ASP 71.A N THR 68.A O no hydrogen 3.007 N/A ILE 72.A N SER 69.A O no hydrogen 3.148 N/A ARG 73.A NE ASP 70.A O no hydrogen 2.966 N/A ARG 73.A NH2 ASP 70.A O no hydrogen 3.400 N/A SER 76.A OG SER 74.A O no hydrogen 2.677 N/A SER 76.A OG THR 103.A OG1 no hydrogen 2.671 N/A VAL 78.A N ASP 101.A OD2 no hydrogen 2.892 N/A ALA 79.A N ASP 101.A OD2 no hydrogen 2.876 N/A GLN 80.A N SER 76.A O no hydrogen 3.128 N/A GLN 80.A NE2 PRO 77.A O no hydrogen 3.498 N/A GLN 81.A N VAL 78.A O no hydrogen 2.876 N/A GLN 81.A NE2 PRO 77.A O no hydrogen 2.853 N/A HIS 82.A N ALA 79.A O no hydrogen 3.162 N/A GLN 84.A N GLN 84.A OE1 no hydrogen 3.212 N/A THR 85.A OG1 HIS 82.A O no hydrogen 3.425 N/A THR 85.A OG1 GLY 86.A O no hydrogen 3.085 N/A GLY 86.A N HIS 82.A O no hydrogen 2.891 N/A MET 87.A N ILE 65.A O no hydrogen 2.747 N/A THR 88.A N GLN 91.A OE1 no hydrogen 2.979 N/A THR 88.A OG1 LEU 61.A O no hydrogen 3.524 N/A THR 88.A OG1 GLN 91.A OE1 no hydrogen 3.480 N/A ILE 89.A N LYS 63.A O no hydrogen 2.969 N/A GLY 90.A N LEU 61.A O no hydrogen 2.827 N/A GLN 91.A N THR 88.A OG1 no hydrogen 3.118 N/A LEU 92.A N THR 88.A O no hydrogen 2.864 N/A CYS 93.A N ILE 89.A O no hydrogen 2.820 N/A CYS 93.A SG ILE 89.A O no hydrogen 3.410 N/A ASP 94.A N GLY 90.A O no hydrogen 2.921 N/A ALA 95.A N GLN 91.A O no hydrogen 2.936 N/A ALA 96.A N LEU 92.A O no hydrogen 2.869 N/A ILE 97.A N CYS 93.A O no hydrogen 3.064 N/A ARG 98.A N ASP 94.A O no hydrogen 2.799 N/A ARG 98.A NE ARG 187.A O no hydrogen 2.905 N/A ARG 98.A NH1 ASP 94.A OD1 no hydrogen 2.877 N/A TYR 99.A N ALA 95.A O no hydrogen 2.963 N/A ASP 101.A N ALA 95.A O no hydrogen 3.061 N/A GLY 102.A N ILE 75.A O no hydrogen 2.846 N/A THR 103.A N SER 76.A OG no hydrogen 3.081 N/A THR 103.A OG1 ASP 71.A O no hydrogen 3.389 N/A THR 103.A OG1 SER 76.A OG no hydrogen 2.671 N/A ALA 104.A N ASP 101.A OD1 no hydrogen 2.864 N/A ALA 105.A N ASP 101.A O no hydrogen 3.151 N/A ASN 106.A N GLY 102.A O no hydrogen 2.919 N/A ASN 106.A ND2 ALA 140.A O no hydrogen 2.932 N/A LEU 107.A N THR 103.A O no hydrogen 2.913 N/A LEU 108.A N ALA 104.A O no hydrogen 2.893 N/A LEU 109.A N ALA 105.A O no hydrogen 2.881 N/A ALA 110.A N ASN 106.A O no hydrogen 3.023 N/A ASP 111.A N LEU 107.A O no hydrogen 2.897 N/A LEU 112.A N LEU 108.A O no hydrogen 2.950 N/A GLY 113.A N LEU 109.A O no hydrogen 2.914 N/A GLY 118.A N PRO 115.A O no hydrogen 3.212 N/A THR 119.A N GLY 116.A O no hydrogen 3.232 N/A THR 119.A OG1 GLY 116.A O no hydrogen 2.896 N/A PHE 122.A N GLY 118.A O no hydrogen 2.923 N/A THR 123.A N THR 119.A O no hydrogen 2.937 N/A THR 123.A OG1 THR 119.A O no hydrogen 2.922 N/A THR 123.A OG1 LEU 136.A O no hydrogen 3.294 N/A GLY 124.A N ALA 120.A O no hydrogen 2.800 N/A TYR 125.A N ALA 121.A O no hydrogen 2.826 N/A LEU 126.A N PHE 122.A O no hydrogen 3.239 N/A ARG 127.A N THR 123.A O no hydrogen 2.995 N/A ARG 127.A NH1 ASP 131.A O no hydrogen 2.853 N/A ARG 127.A NH1 SER 134.A O no hydrogen 2.705 N/A ARG 127.A NH2 SER 134.A O no hydrogen 3.025 N/A SER 128.A N GLY 124.A O no hydrogen 3.044 N/A SER 128.A OG TYR 125.A O no hydrogen 2.694 N/A LEU 129.A N LEU 126.A O no hydrogen 2.984 N/A GLY 130.A N ARG 127.A O no hydrogen 2.932 N/A ASP 131.A N LEU 126.A O no hydrogen 3.040 N/A VAL 133.A N ASP 131.A OD1 no hydrogen 2.809 N/A SER 134.A N ASP 131.A OD1 no hydrogen 2.900 N/A SER 134.A OG ASP 131.A OD1 no hydrogen 3.269 N/A SER 134.A OG ASP 131.A OD2 no hydrogen 2.494 N/A SER 134.A OG THR 155.A OG1 no hydrogen 2.690 N/A ARG 135.A N THR 154.A O no hydrogen 2.959 N/A ARG 135.A NE ASP 137.A OD1 no hydrogen 2.887 N/A ARG 135.A NE ASP 137.A OD2 no hydrogen 3.380 N/A ARG 135.A NH1 ASP 137.A OD2 no hydrogen 2.777 N/A LEU 136.A N THR 123.A OG1 no hydrogen 3.037 N/A ASP 137.A N ASP 153.A OD1 no hydrogen 2.698 N/A ALA 138.A N ASP 153.A OD1 no hydrogen 2.941 N/A ALA 140.A N ASN 106.A OD1 no hydrogen 2.978 N/A GLU 142.A N GLU 142.A OE1 no hydrogen 2.823 N/A LEU 143.A N GLU 139.A O no hydrogen 3.049 N/A ASN 144.A N PRO 141.A O no hydrogen 3.432 N/A ARG 145.A N GLU 142.A O no hydrogen 3.036 N/A ASP 150.A N PRO 147.A O no hydrogen 3.014 N/A ARG 152.A N ASP 150.A OD1 no hydrogen 3.003 N/A ARG 152.A NE ASP 150.A OD1 no hydrogen 3.030 N/A ARG 152.A NH2 ASP 150.A OD2 no hydrogen 3.256 N/A ASP 153.A N ASP 137.A OD1 no hydrogen 3.003 N/A THR 154.A OG1 GLU 151.A O no hydrogen 2.655 N/A THR 155.A N PHE 38.A O no hydrogen 2.909 N/A THR 155.A OG1 SER 134.A OG no hydrogen 2.690 N/A THR 155.A OG1 THR 156.A O no hydrogen 3.460 N/A THR 156.A OG1 ALA 34.A O no hydrogen 3.445 N/A HIS 158.A N ALA 34.A O no hydrogen 2.921 N/A HIS 158.A ND1 ASP 35.A OD1 no hydrogen 2.707 N/A ALA 159.A N THR 156.A OG1 no hydrogen 2.847 N/A ILE 160.A N THR 156.A O no hydrogen 2.952 N/A ALA 161.A N PRO 157.A O no hydrogen 3.064 N/A LEU 162.A N HIS 158.A O no hydrogen 3.256 N/A VAL 163.A N ALA 159.A O no hydrogen 3.097 N/A LEU 164.A N ILE 160.A O no hydrogen 2.878 N/A GLN 165.A N ALA 161.A O no hydrogen 2.888 N/A GLN 166.A N LEU 162.A O no hydrogen 3.204 N/A LEU 167.A N VAL 163.A O no hydrogen 3.017 N/A VAL 168.A N LEU 164.A O no hydrogen 2.888 N/A LEU 169.A N GLN 165.A O no hydrogen 2.782 N/A GLY 170.A N GLN 165.A O no hydrogen 2.873 N/A ALA 172.A N GLN 166.A O no hydrogen 3.322 N/A LYS 177.A N ASP 176.A OD1 no hydrogen 2.803 N/A LYS 177.A NZ LEU 53.A O no hydrogen 2.912 N/A LYS 177.A NZ ASN 56.A O no hydrogen 2.783 N/A ARG 178.A N PRO 174.A O no hydrogen 2.836 N/A ARG 178.A NE LEU 173.A O no hydrogen 3.439 N/A ARG 178.A NH2 LEU 173.A O no hydrogen 2.917 N/A ALA 179.A N PRO 175.A O no hydrogen 2.967 N/A LEU 180.A N ASP 176.A O no hydrogen 3.297 N/A LEU 181.A N LYS 177.A O no hydrogen 3.147 N/A THR 182.A N ARG 178.A O no hydrogen 2.933 N/A THR 182.A OG1 ARG 178.A O no hydrogen 2.847 N/A ASP 183.A N ALA 179.A O no hydrogen 2.832 N/A TRP 184.A N LEU 180.A O no hydrogen 3.039 N/A MET 185.A N LEU 181.A O no hydrogen 3.066 N/A ALA 186.A N THR 182.A O no hydrogen 2.818 N/A ARG 187.A N ASP 183.A O no hydrogen 3.040 N/A ARG 187.A N TRP 184.A O no hydrogen 3.184 N/A ARG 187.A NH1 ASP 94.A OD2 no hydrogen 3.389 N/A ASN 188.A N MET 185.A O no hydrogen 3.276 N/A ASN 188.A ND2 THR 190.A OG1 no hydrogen 3.187 N/A ASN 188.A ND2 ASP 207.A OD1 no hydrogen 2.990 N/A THR 189.A N ARG 98.A O no hydrogen 3.038 N/A THR 189.A OG1 ARG 98.A O no hydrogen 2.705 N/A THR 190.A N ASN 188.A OD1 no hydrogen 3.048 N/A THR 190.A OG1 ASN 188.A OD1 no hydrogen 2.972 N/A THR 190.A OG1 THR 209.A OG1 no hydrogen 2.645 N/A ARG 194.A N GLY 191.A O no hydrogen 3.171 N/A ARG 194.A NE GLU 250.A OE2 no hydrogen 2.699 N/A ARG 194.A NH1 THR 211.A OG1 no hydrogen 2.862 N/A ARG 194.A NH1 GLU 250.A OE2 no hydrogen 3.421 N/A ARG 194.A NH2 GLY 210.A O no hydrogen 2.949 N/A ARG 194.A NH2 THR 211.A OG1 no hydrogen 3.378 N/A ARG 194.A NH2 ASN 218.A O no hydrogen 2.973 N/A ILE 195.A N ASP 219.A OD2 no hydrogen 3.017 N/A ARG 196.A NE ARG 196.A O no hydrogen 2.860 N/A ARG 196.A NH1 TRP 203.A O no hydrogen 2.937 N/A ARG 196.A NH2 PHE 199.A O no hydrogen 3.117 N/A ARG 196.A NH2 TRP 203.A O no hydrogen 3.103 N/A ALA 197.A N ARG 194.A O no hydrogen 2.947 N/A GLY 198.A N ILE 195.A O no hydrogen 2.841 N/A PHE 199.A N ARG 196.A O no hydrogen 3.455 N/A TRP 203.A N PRO 200.A O no hydrogen 2.988 N/A LYS 204.A N TRP 224.A O no hydrogen 2.935 N/A ILE 206.A N VAL 222.A O no hydrogen 3.032 N/A ASP 207.A N MET 185.A O no hydrogen 3.266 N/A LYS 208.A N ILE 220.A O no hydrogen 2.867 N/A LYS 208.A NZ SER 100.A OG no hydrogen 2.785 N/A LYS 208.A NZ THR 209.A O no hydrogen 2.698 N/A THR 209.A OG1 THR 190.A OG1 no hydrogen 2.645 N/A GLY 210.A N ASN 218.A O no hydrogen 3.070 N/A GLY 212.A N ARG 216.A O no hydrogen 3.030 N/A ASP 213.A N ASN 144.A O no hydrogen 3.289 N/A TYR 214.A N TYR 244.A O no hydrogen 2.938 N/A ARG 216.A N ASP 213.A O no hydrogen 3.280 N/A ARG 216.A NH1 ASN 144.A O no hydrogen 3.070 N/A ARG 216.A NH1 ASP 146.A O no hydrogen 2.887 N/A ARG 216.A NH2 ASP 146.A O no hydrogen 2.810 N/A ALA 217.A N SER 237.A O no hydrogen 3.095 N/A ASN 218.A N GLY 210.A O no hydrogen 2.745 N/A ASN 218.A ND2 ALA 39.A O no hydrogen 2.806 N/A ASN 218.A ND2 PHE 40.A O no hydrogen 3.009 N/A ASP 219.A N VAL 235.A O no hydrogen 2.863 N/A ILE 220.A N LYS 208.A O no hydrogen 2.984 N/A ALA 221.A N VAL 233.A O no hydrogen 2.825 N/A VAL 222.A N ILE 206.A O no hydrogen 3.023 N/A VAL 223.A N TYR 231.A O no hydrogen 2.855 N/A TRP 224.A N LYS 204.A O no hydrogen 2.904 N/A SER 225.A N VAL 229.A O no hydrogen 2.888 N/A SER 225.A OG THR 227.A OG1 no hydrogen 3.069 N/A THR 227.A N SER 225.A OG no hydrogen 3.128 N/A THR 227.A OG1 SER 225.A OG no hydrogen 3.069 N/A GLY 228.A N SER 225.A O no hydrogen 2.914 N/A VAL 229.A N SER 225.A OG no hydrogen 3.090 N/A TYR 231.A N VAL 223.A O no hydrogen 2.768 N/A VAL 233.A N ALA 221.A O no hydrogen 2.956 N/A ALA 234.A N TYR 20.A O no hydrogen 2.961 N/A VAL 235.A N ASP 219.A O no hydrogen 2.856 N/A MET 236.A N GLY 18.A O no hydrogen 2.898 N/A SER 237.A N ASN 218.A OD1 no hydrogen 3.349 N/A SER 237.A OG ALA 217.A O no hydrogen 2.930 N/A ASP 238.A N ARG 16.A O no hydrogen 3.156 N/A ARG 239.A N TYR 214.A O no hydrogen 2.795 N/A ARG 239.A NE TYR 13.A O no hydrogen 2.685 N/A ARG 239.A NH1 TYR 13.A O no hydrogen 3.188 N/A ARG 239.A NH2 GLU 247.A O no hydrogen 2.767 N/A GLY 242.A N ARG 239.A O no hydrogen 2.885 N/A GLY 243.A N ALA 240.A O no hydrogen 3.031 N/A ASP 245.A N ASP 245.A OD1 no hydrogen 2.574 N/A ALA 246.A N GLY 243.A O no hydrogen 3.063 N/A LEU 252.A N ARG 249.A O no hydrogen 3.053 N/A ALA 254.A N GLU 250.A O no hydrogen 2.973 N/A GLU 255.A N ALA 251.A O no hydrogen 2.882 N/A ALA 256.A N LEU 252.A O no hydrogen 2.917 N/A ALA 257.A N LEU 253.A O no hydrogen 2.820 N/A THR 258.A N ALA 254.A O no hydrogen 2.884 N/A THR 258.A OG1 ALA 254.A O no hydrogen 2.846 N/A CYS 259.A N GLU 255.A O no hydrogen 3.062 N/A CYS 259.A SG GLU 255.A O no hydrogen 3.422 N/A VAL 260.A N ALA 256.A O no hydrogen 2.994 N/A ALA 261.A N ALA 257.A O no hydrogen 2.797 N/A GLY 262.A N THR 258.A O no hydrogen 2.979 N/A VAL 263.A N CYS 259.A O no hydrogen 3.337 N/A LEU 264.A N VAL 260.A O no hydrogen 2.991 N/A ALA 265.A N ALA 261.A O no hydrogen 2.917 N/A