Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4q9n_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 6.A N ALA 33.A O no hydrogen 2.778 N/A THR 7.A N ASP 5.A OD1 no hydrogen 3.183 N/A THR 7.A OG1 ASP 5.A OD1 no hydrogen 2.638 N/A LYS 9.A N LEU 6.A O no hydrogen 3.018 N/A ILE 10.A N ASP 121.A OD2 no hydrogen 2.882 N/A ALA 11.A N THR 36.A O no hydrogen 2.889 N/A PHE 12.A N ILE 122.A O no hydrogen 2.800 N/A ILE 13.A N LEU 38.A O no hydrogen 2.857 N/A ALA 14.A N VAL 124.A O no hydrogen 2.779 N/A GLY 15.A N GLY 40.A O no hydrogen 2.956 N/A ASN 20.A N ASP 18.A OD1 no hydrogen 2.931 N/A TYR 22.A OH GLY 224.A O no hydrogen 2.665 N/A TRP 24.A NE1 SER 61.A O no hydrogen 3.019 N/A GLY 25.A N GLY 21.A O no hydrogen 3.437 N/A ILE 26.A N TYR 22.A O no hydrogen 2.815 N/A ALA 27.A N GLY 23.A O no hydrogen 2.973 N/A LYS 28.A N TRP 24.A O no hydrogen 2.897 N/A LYS 28.A NZ SER 61.A O no hydrogen 3.011 N/A MET 29.A N GLY 25.A O no hydrogen 3.258 N/A LEU 30.A N ILE 26.A O no hydrogen 2.849 N/A ALA 31.A N ALA 27.A O no hydrogen 2.953 N/A GLU 32.A N LYS 28.A O no hydrogen 2.925 N/A ALA 33.A N MET 29.A O no hydrogen 3.136 N/A GLY 34.A N ALA 31.A O no hydrogen 2.902 N/A ALA 35.A N LEU 30.A O no hydrogen 2.937 N/A THR 36.A N LYS 9.A O no hydrogen 2.806 N/A LEU 38.A N ALA 11.A O no hydrogen 2.801 N/A VAL 39.A N LYS 74.A O no hydrogen 2.976 N/A GLY 40.A N ILE 13.A O no hydrogen 2.867 N/A THR 41.A N TYR 76.A O no hydrogen 2.926 N/A THR 41.A OG1 ILE 16.A O no hydrogen 2.826 N/A TRP 42.A NE1 ASP 79.A OD2 no hydrogen 3.077 N/A VAL 43.A N MET 78.A O no hydrogen 3.025 N/A ILE 45.A N TRP 42.A O no hydrogen 2.970 N/A TYR 46.A N VAL 43.A O no hydrogen 3.071 N/A PHE 49.A N ILE 45.A O no hydrogen 2.931 N/A SER 50.A N TYR 46.A O no hydrogen 2.907 N/A SER 50.A OG TYR 46.A O no hydrogen 2.942 N/A SER 50.A OG LYS 47.A O no hydrogen 2.983 N/A GLN 51.A N LYS 47.A O no hydrogen 2.902 N/A SER 52.A N ILE 48.A O no hydrogen 2.934 N/A SER 52.A OG ILE 48.A O no hydrogen 2.576 N/A LEU 53.A N PHE 49.A O no hydrogen 3.040 N/A GLU 54.A N SER 50.A O no hydrogen 3.106 N/A LEU 55.A N GLN 51.A O no hydrogen 2.764 N/A GLY 56.A N LEU 53.A O no hydrogen 3.200 N/A LYS 57.A N SER 52.A O no hydrogen 2.825 N/A ASN 59.A N GLY 56.A O no hydrogen 3.298 N/A SER 61.A N PHE 58.A O no hydrogen 2.871 N/A SER 61.A OG ASP 19.A OD2 no hydrogen 2.903 N/A ARG 62.A N ASN 59.A O no hydrogen 3.099 N/A ARG 62.A NE LEU 70.A O no hydrogen 2.914 N/A ARG 62.A NH1 ASN 59.A OD1 no hydrogen 2.813 N/A ARG 62.A NH2 LEU 70.A O no hydrogen 3.010 N/A LEU 64.A N GLU 68.A O no hydrogen 2.903 N/A SER 65.A N GLU 32.A OE1 no hydrogen 2.724 N/A SER 65.A OG GLU 32.A OE1 no hydrogen 3.496 N/A SER 65.A OG GLU 32.A OE2 no hydrogen 2.751 N/A GLY 67.A N LEU 64.A O no hydrogen 2.861 N/A GLU 68.A N ASN 66.A OD1 no hydrogen 2.850 N/A LEU 70.A N ARG 62.A O no hydrogen 2.703 N/A THR 71.A OG1 LEU 69.A O no hydrogen 2.939 N/A ALA 73.A N ILE 37.A O no hydrogen 2.905 N/A TYR 76.A N VAL 39.A O no hydrogen 2.706 N/A MET 78.A N THR 41.A O no hydrogen 2.843 N/A ASP 79.A N TYR 104.A O no hydrogen 2.946 N/A SER 81.A N ASP 79.A OD1 no hydrogen 2.915 N/A SER 81.A OG ASP 79.A OD1 no hydrogen 3.068 N/A PHE 82.A N ASP 79.A O no hydrogen 3.176 N/A ASP 83.A N ASP 87.A OD2 no hydrogen 2.939 N/A THR 84.A N ASP 87.A OD2 no hydrogen 2.841 N/A THR 84.A OG1 GLU 86.A OE1 no hydrogen 2.909 N/A THR 84.A OG1 ASP 87.A OD2 no hydrogen 3.493 N/A ASP 87.A N THR 84.A O no hydrogen 2.881 N/A ILE 88.A N PRO 85.A O no hydrogen 3.089 N/A ILE 92.A N PRO 89.A O no hydrogen 3.045 N/A LEU 93.A N PRO 89.A O no hydrogen 3.048 N/A GLU 94.A N GLN 90.A O no hydrogen 2.969 N/A ASN 95.A N ILE 92.A O no hydrogen 3.039 N/A ARG 97.A N ASN 95.A OD1 no hydrogen 2.845 N/A TYR 98.A N ASN 95.A O no hydrogen 2.959 N/A TYR 98.A OH ASP 79.A OD2 no hydrogen 2.512 N/A LYS 99.A N ASN 95.A O no hydrogen 2.866 N/A LYS 99.A NZ GLU 94.A OE2 no hydrogen 3.039 N/A LEU 101.A N TYR 98.A O no hydrogen 2.925 N/A THR 105.A N GLU 108.A OE1 no hydrogen 3.160 N/A THR 105.A OG1 ASP 83.A O no hydrogen 3.373 N/A THR 105.A OG1 GLU 108.A OE1 no hydrogen 2.605 N/A VAL 106.A N PHE 82.A O no hydrogen 3.071 N/A SER 107.A N ASP 83.A O no hydrogen 2.976 N/A SER 107.A OG ASP 83.A O no hydrogen 2.674 N/A VAL 109.A N THR 105.A O no hydrogen 2.895 N/A VAL 110.A N VAL 106.A O no hydrogen 3.001 N/A GLU 111.A N SER 107.A O no hydrogen 3.083 N/A GLN 112.A N GLU 108.A O no hydrogen 3.064 N/A GLN 112.A NE2 GLU 108.A O no hydrogen 3.609 N/A VAL 113.A N VAL 109.A O no hydrogen 2.904 N/A LYS 114.A N VAL 110.A O no hydrogen 2.884 N/A LYS 115.A N GLU 111.A O no hydrogen 2.958 N/A HIS 116.A N GLN 112.A O no hydrogen 3.003 N/A PHE 117.A N VAL 113.A O no hydrogen 2.731 N/A GLY 118.A N VAL 113.A O no hydrogen 3.328 N/A GLY 118.A N LYS 114.A O no hydrogen 2.861 N/A ILE 120.A N ILE 166.A O no hydrogen 3.066 N/A ASP 121.A N ILE 10.A O no hydrogen 2.798 N/A ILE 122.A N ILE 10.A O no hydrogen 3.103 N/A LEU 123.A N SER 172.A O no hydrogen 3.042 N/A VAL 124.A N PHE 12.A O no hydrogen 2.814 N/A HIS 125.A N ILE 174.A O no hydrogen 2.708 N/A HIS 125.A NE2 SER 155.A OG no hydrogen 2.904 N/A SER 126.A N ALA 14.A O no hydrogen 2.827 N/A ASN 129.A N SER 152.A OG no hydrogen 3.038 N/A SER 130.A OG GLY 190.A O no hydrogen 2.711 N/A GLU 132.A N SER 130.A OG no hydrogen 3.095 N/A LYS 135.A N GLU 132.A O no hydrogen 2.870 N/A ASP 139.A N PRO 136.A O no hydrogen 2.963 N/A THR 140.A N LEU 137.A O no hydrogen 3.134 N/A THR 140.A OG1 PRO 136.A O no hydrogen 2.939 N/A SER 141.A N GLU 132.A OE1 no hydrogen 2.949 N/A SER 141.A OG GLU 132.A OE2 no hydrogen 2.413 N/A LYS 143.A NZ GLU 132.A OE2 no hydrogen 3.535 N/A LYS 143.A NZ SER 141.A OG no hydrogen 3.041 N/A GLY 144.A N SER 141.A OG no hydrogen 2.988 N/A TYR 145.A N SER 141.A O no hydrogen 2.967 N/A LEU 146.A N ARG 142.A O no hydrogen 2.897 N/A ALA 147.A N LYS 143.A O no hydrogen 2.872 N/A ALA 148.A N GLY 144.A O no hydrogen 2.899 N/A LEU 149.A N TYR 145.A O no hydrogen 3.102 N/A SER 150.A N LEU 146.A O no hydrogen 2.858 N/A THR 151.A N ALA 147.A O no hydrogen 2.995 N/A THR 151.A OG1 ALA 147.A O no hydrogen 3.238 N/A SER 152.A N ALA 148.A O no hydrogen 2.890 N/A SER 152.A OG ALA 148.A O no hydrogen 2.824 N/A SER 153.A N LEU 149.A O no hydrogen 2.905 N/A SER 153.A OG ALA 195.A O no hydrogen 2.785 N/A TYR 154.A N LEU 149.A O no hydrogen 2.920 N/A SER 155.A N SER 150.A O no hydrogen 3.171 N/A SER 155.A OG HIS 125.A NE2 no hydrogen 2.904 N/A SER 155.A OG THR 151.A O no hydrogen 2.434 N/A PHE 156.A N SER 153.A O no hydrogen 3.020 N/A SER 158.A N TYR 154.A O no hydrogen 2.859 N/A SER 158.A OG ASP 83.A OD1 no hydrogen 2.415 N/A SER 158.A OG HIS 162.A ND1 no hydrogen 3.377 N/A LEU 159.A N SER 155.A O no hydrogen 2.941 N/A LEU 160.A N PHE 156.A O no hydrogen 2.874 N/A SER 161.A N ILE 157.A O no hydrogen 2.740 N/A HIS 162.A N SER 158.A O no hydrogen 2.983 N/A HIS 162.A ND1 SER 158.A O no hydrogen 2.762 N/A PHE 163.A N LEU 159.A O no hydrogen 2.850 N/A GLY 164.A N LEU 160.A O no hydrogen 2.784 N/A ILE 166.A N PHE 163.A O no hydrogen 2.739 N/A MET 167.A N GLY 164.A O no hydrogen 3.112 N/A ASN 168.A N ILE 120.A O no hydrogen 3.123 N/A ASN 168.A ND2 ASP 121.A OD1 no hydrogen 3.222 N/A ALA 171.A N ASN 168.A O no hydrogen 3.238 N/A SER 172.A N ASP 121.A O no hydrogen 3.131 N/A THR 173.A N ARG 217.A O no hydrogen 2.841 N/A THR 173.A OG1 ARG 217.A O no hydrogen 3.536 N/A ILE 174.A N LEU 123.A O no hydrogen 2.879 N/A SER 175.A N ASN 219.A O no hydrogen 3.169 N/A SER 175.A OG THR 220.A OG1 no hydrogen 3.130 N/A THR 177.A N ILE 221.A O no hydrogen 2.876 N/A THR 177.A OG1 GLU 200.A OE2 no hydrogen 2.634 N/A TYR 178.A OH TYR 244.A OH no hydrogen 3.336 N/A SER 181.A N TYR 178.A O no hydrogen 3.035 N/A SER 181.A OG TYR 178.A O no hydrogen 3.239 N/A SER 181.A OG GLU 200.A OE1 no hydrogen 3.284 N/A SER 181.A OG GLU 200.A OE2 no hydrogen 2.575 N/A MET 182.A N LEU 179.A O no hydrogen 3.420 N/A ARG 183.A NH1 ASN 286.A O no hydrogen 2.789 N/A ARG 183.A NH2 ASN 286.A O no hydrogen 3.299 N/A TYR 188.A N VAL 185.A O no hydrogen 3.067 N/A GLY 190.A N LYS 135.A O no hydrogen 3.134 N/A MET 192.A N GLY 189.A O no hydrogen 3.029 N/A ALA 195.A N GLY 191.A O no hydrogen 2.991 N/A LYS 196.A N MET 192.A O no hydrogen 2.969 N/A LYS 196.A NZ LEU 176.A O no hydrogen 2.816 N/A ALA 197.A N ASN 193.A O no hydrogen 2.924 N/A ALA 198.A N ALA 194.A O no hydrogen 2.858 N/A LEU 199.A N ALA 195.A O no hydrogen 2.948 N/A GLU 200.A N LYS 196.A O no hydrogen 2.899 N/A SER 201.A N ALA 197.A O no hydrogen 2.869 N/A ASP 202.A N ALA 198.A O no hydrogen 2.779 N/A THR 203.A N LEU 199.A O no hydrogen 2.960 N/A THR 203.A OG1 LEU 199.A O no hydrogen 2.826 N/A LYS 204.A N SER 201.A O no hydrogen 3.147 N/A LYS 204.A NZ GLU 200.A O no hydrogen 3.192 N/A VAL 205.A N SER 201.A O no hydrogen 3.228 N/A LEU 206.A N ASP 202.A O no hydrogen 2.720 N/A ALA 207.A N THR 203.A O no hydrogen 2.951 N/A TRP 208.A N LYS 204.A O no hydrogen 3.267 N/A GLU 209.A N VAL 205.A O no hydrogen 2.955 N/A ALA 210.A N LEU 206.A O no hydrogen 2.711 N/A GLY 211.A N ALA 207.A O no hydrogen 2.950 N/A ARG 212.A N TRP 208.A O no hydrogen 2.894 N/A ARG 213.A N GLU 209.A O no hydrogen 2.803 N/A TRP 214.A N ALA 210.A O no hydrogen 2.864 N/A GLY 215.A N GLY 211.A O no hydrogen 3.045 N/A VAL 216.A N ALA 210.A O no hydrogen 3.245 N/A ARG 217.A N ALA 171.A O no hydrogen 3.169 N/A ARG 217.A NH1 LEU 266.A O no hydrogen 2.785 N/A ARG 217.A NH1 ILE 274.A O no hydrogen 2.984 N/A ARG 217.A NH2 LEU 266.A O no hydrogen 2.830 N/A VAL 218.A N THR 275.A OG1 no hydrogen 3.106 N/A ASN 219.A N THR 173.A O no hydrogen 3.148 N/A ASN 219.A ND2 ILE 274.A O no hydrogen 3.123 N/A THR 220.A N GLU 277.A O no hydrogen 2.904 N/A THR 220.A OG1 SER 175.A O no hydrogen 3.034 N/A THR 220.A OG1 SER 175.A OG no hydrogen 3.130 N/A ILE 221.A N SER 175.A O no hydrogen 2.879 N/A SER 222.A N LEU 279.A O no hydrogen 2.829 N/A ALA 223.A N THR 177.A O no hydrogen 3.230 N/A GLY 224.A N VAL 281.A O no hydrogen 3.206 N/A SER 228.A N LEU 226.A O no hydrogen 2.840 N/A ARG 229.A NH2 GLY 17.A O no hydrogen 3.244 N/A GLY 231.A N SER 228.A OG no hydrogen 3.049 N/A LYS 232.A N SER 228.A O no hydrogen 2.734 N/A LYS 232.A NZ ALA 227.A O no hydrogen 2.836 N/A ALA 233.A N ARG 229.A O no hydrogen 3.120 N/A ALA 233.A N ALA 230.A O no hydrogen 3.094 N/A ILE 234.A N GLY 231.A O no hydrogen 3.163 N/A ARG 239.A N PHE 236.A O no hydrogen 2.879 N/A MET 240.A N PHE 236.A O no hydrogen 3.179 N/A VAL 241.A N ILE 237.A O no hydrogen 2.848 N/A ASP 242.A N GLU 238.A O no hydrogen 3.151 N/A TYR 243.A N ARG 239.A O no hydrogen 2.895 N/A TYR 244.A N MET 240.A O no hydrogen 2.983 N/A TYR 244.A OH TYR 178.A OH no hydrogen 3.336 N/A GLN 245.A N VAL 241.A O no hydrogen 3.103 N/A GLN 245.A NE2 PRO 251.A O no hydrogen 2.535 N/A ASP 246.A N ASP 242.A O no hydrogen 3.200 N/A TRP 247.A N TYR 244.A O no hydrogen 3.202 N/A TRP 247.A NE1 ILE 290.A O no hydrogen 2.909 N/A ALA 248.A N TYR 244.A O no hydrogen 2.942 N/A LEU 250.A N HIS 283.A O no hydrogen 3.338 N/A GLU 255.A N GLN 258.A OE1 no hydrogen 2.962 N/A GLU 257.A N GLU 257.A OE1 no hydrogen 2.705 N/A GLN 258.A N GLU 255.A O no hydrogen 2.952 N/A GLN 258.A NE2 PRO 253.A O no hydrogen 3.506 N/A GLY 260.A N ALA 256.A O no hydrogen 3.008 N/A ALA 261.A N GLU 257.A O no hydrogen 2.879 N/A ALA 262.A N GLN 258.A O no hydrogen 3.227 N/A ALA 263.A N VAL 259.A O no hydrogen 2.901 N/A ALA 264.A N GLY 260.A O no hydrogen 2.911 N/A PHE 265.A N ALA 261.A O no hydrogen 3.047 N/A LEU 266.A N ALA 262.A O no hydrogen 2.957 N/A VAL 267.A N ALA 263.A O no hydrogen 3.060 N/A SER 268.A N PHE 265.A O no hydrogen 3.019 N/A SER 268.A OG PHE 265.A O no hydrogen 2.739 N/A LEU 270.A N SER 268.A OG no hydrogen 3.284 N/A ALA 271.A N SER 268.A O no hydrogen 2.988 N/A ILE 274.A N ALA 271.A O no hydrogen 2.879 N/A GLY 276.A N VAL 218.A O no hydrogen 2.692 N/A GLU 277.A N ASN 219.A OD1 no hydrogen 3.029 N/A LEU 279.A N THR 220.A O no hydrogen 2.855 N/A VAL 281.A N SER 222.A O no hydrogen 2.840 N/A GLY 284.A N ASP 282.A OD1 no hydrogen 3.021 N/A ALA 285.A N ASP 282.A O no hydrogen 3.314 N/A ASN 286.A N ASP 282.A OD2 no hydrogen 2.915 N/A VAL 287.A N GLY 284.A O no hydrogen 3.073 N/A MET 288.A N ALA 285.A O no hydrogen 3.091 N/A MET 294.A N GLY 291.A O no hydrogen 3.291 N/A