Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8ak3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH ASP 64.A OD2 no hydrogen 2.548 N/A ASP 4.A N VAL 21.A O no hydrogen 2.880 N/A GLY 6.A N HIS 19.A O no hydrogen 2.612 N/A LEU 9.A N THR 17.A O no hydrogen 2.653 N/A GLY 10.A N THR 17.A O no hydrogen 3.258 N/A ARG 11.A NE GLU 8.A OE2 no hydrogen 3.001 N/A ARG 11.A NH2 GLU 8.A OE1 no hydrogen 2.840 N/A ARG 11.A NH2 GLU 8.A OE2 no hydrogen 3.141 N/A GLY 12.A N GLY 15.A O no hydrogen 2.981 N/A ILE 16.A N ILE 33.A O no hydrogen 3.044 N/A THR 17.A N GLY 10.A O no hydrogen 2.834 N/A TYR 18.A N ALA 31.A O no hydrogen 2.778 N/A HIS 19.A N ASP 7.A O no hydrogen 2.837 N/A HIS 19.A NE2 ASN 28.A OD1 no hydrogen 3.013 N/A ALA 20.A N TYR 29.A O no hydrogen 2.876 N/A VAL 21.A N ASP 4.A O no hydrogen 3.047 N/A GLU 22.A N ASP 27.A O no hydrogen 2.913 N/A ARG 23.A N PRO 2.A O no hydrogen 2.815 N/A ARG 23.A NH1 GLY 1.A O no hydrogen 2.906 N/A SER 25.A N GLU 22.A O no hydrogen 3.271 N/A SER 25.A OG GLU 22.A O no hydrogen 3.523 N/A SER 25.A OG GLU 22.A OE1 no hydrogen 2.489 N/A GLY 26.A N GLU 22.A O no hydrogen 2.747 N/A ASP 27.A N SER 25.A OG no hydrogen 2.942 N/A TYR 29.A N ALA 20.A O no hydrogen 2.719 N/A ALA 30.A N MET 76.A O no hydrogen 2.896 N/A ALA 31.A N TYR 18.A O no hydrogen 2.784 N/A LYS 32.A N LEU 74.A O no hydrogen 2.754 N/A LYS 32.A NZ GLU 47.A OE1 no hydrogen 2.761 N/A LYS 32.A NZ GLU 47.A OE2 no hydrogen 3.155 N/A ILE 33.A N ILE 16.A O no hydrogen 2.919 N/A MET 34.A N VAL 72.A O no hydrogen 3.144 N/A TYR 35.A N GLN 14.A O no hydrogen 2.964 N/A TYR 35.A OH GLY 12.A O no hydrogen 2.854 N/A ARG 37.A N TYR 35.A O no hydrogen 2.772 N/A ARG 37.A NE GLU 39.A OE2 no hydrogen 3.081 N/A GLU 39.A N GLU 39.A OE1 no hydrogen 3.049 N/A LEU 40.A N ARG 37.A O no hydrogen 2.868 N/A ARG 41.A N PRO 38.A O no hydrogen 3.133 N/A ARG 41.A NH1 ASP 67.A OD2 no hydrogen 2.847 N/A ARG 41.A NH2 ASP 67.A OD2 no hydrogen 3.544 N/A ARG 41.A NH2 THR 68.A O no hydrogen 2.979 N/A MET 44.A N LEU 40.A O no hydrogen 3.120 N/A LEU 45.A N ARG 41.A O no hydrogen 2.921 N/A ASN 46.A N PRO 42.A O no hydrogen 2.936 N/A ASN 46.A ND2 PHE 144.A O no hydrogen 3.202 N/A ASN 46.A ND2 GLY 145.A O no hydrogen 2.996 N/A ASN 46.A ND2 SER 147.A O no hydrogen 2.840 N/A GLU 47.A N PHE 43.A O no hydrogen 2.997 N/A LEU 48.A N MET 44.A O no hydrogen 3.053 N/A GLU 49.A N LEU 45.A O no hydrogen 2.995 N/A MET 50.A N ASN 46.A O no hydrogen 2.847 N/A MET 51.A N GLU 47.A O no hydrogen 2.832 N/A ASN 52.A N LEU 48.A O no hydrogen 3.084 N/A ASN 52.A ND2 LEU 48.A O no hydrogen 2.923 N/A THR 53.A N MET 50.A O no hydrogen 2.852 N/A THR 53.A OG1 GLU 49.A O no hydrogen 2.980 N/A PHE 54.A N MET 50.A O no hydrogen 3.335 N/A ASN 55.A N HIS 113.A NE2 no hydrogen 3.199 N/A ASN 58.A N HIS 56.A ND1 no hydrogen 2.995 N/A ASN 58.A ND2 GLN 106.A OE1 no hydrogen 3.200 N/A ASN 58.A ND2 ILE 139.A O no hydrogen 2.876 N/A LEU 59.A N HIS 56.A O no hydrogen 3.018 N/A ILE 60.A N VAL 141.A O no hydrogen 3.013 N/A ARG 61.A N GLU 77.A OE1 no hydrogen 2.939 N/A ARG 61.A NH1 PHE 54.A O no hydrogen 2.811 N/A TYR 63.A N ILE 75.A O no hydrogen 2.913 N/A TYR 63.A OH GLU 22.A OE2 no hydrogen 2.548 N/A ASP 64.A N ILE 75.A O no hydrogen 3.036 N/A ALA 65.A N ASP 64.A OD1 no hydrogen 2.723 N/A TYR 66.A N THR 73.A O no hydrogen 3.098 N/A THR 68.A N SER 71.A O no hydrogen 2.770 N/A THR 68.A OG1 SER 71.A O no hydrogen 3.331 N/A ARG 70.A NH1 GLY 36.A O no hydrogen 2.864 N/A SER 71.A N THR 68.A OG1 no hydrogen 2.907 N/A THR 73.A N TYR 66.A O no hydrogen 2.822 N/A LEU 74.A N LYS 32.A O no hydrogen 2.854 N/A ILE 75.A N ASP 64.A O no hydrogen 2.791 N/A MET 76.A N ALA 30.A O no hydrogen 2.757 N/A GLU 77.A N ARG 61.A O no hydrogen 2.921 N/A ALA 80.A N SER 132.A O no hydrogen 2.811 N/A GLY 81.A N ILE 131.A O no hydrogen 2.823 N/A GLY 82.A N ALA 79.A O no hydrogen 3.032 N/A GLU 83.A N ASP 87.A OD2 no hydrogen 2.814 N/A LEU 84.A N LEU 129.A O no hydrogen 2.862 N/A ARG 86.A NE ASP 87.A OD1 no hydrogen 3.011 N/A ARG 86.A NE ASP 87.A OD2 no hydrogen 3.166 N/A ARG 86.A NH1 LEU 9.A O no hydrogen 3.009 N/A ARG 86.A NH2 LEU 9.A O no hydrogen 2.898 N/A ARG 86.A NH2 ASP 87.A OD2 no hydrogen 2.719 N/A ASP 87.A N GLU 83.A O no hydrogen 2.917 N/A ASN 88.A N LEU 84.A O no hydrogen 3.193 N/A ASN 88.A ND2 GLY 81.A O no hydrogen 2.903 N/A ASN 88.A ND2 GLU 83.A O no hydrogen 2.909 N/A LEU 89.A N LEU 84.A O no hydrogen 2.837 N/A LEU 90.A N VAL 85.A O no hydrogen 2.954 N/A ARG 91.A N ASN 88.A O no hydrogen 3.156 N/A ARG 92.A N LEU 89.A O no hydrogen 3.083 N/A ARG 92.A NE TYR 94.A O no hydrogen 3.147 N/A ARG 92.A NH2 ASP 99.A OD2 no hydrogen 2.935 N/A TYR 95.A N ILE 271.A O no hydrogen 2.947 N/A TYR 95.A OH LEU 192.A O no hydrogen 2.618 N/A THR 96.A N ASP 99.A OD2 no hydrogen 3.087 N/A ASP 99.A N THR 96.A OG1 no hydrogen 2.975 N/A ILE 100.A N THR 96.A O no hydrogen 3.238 N/A ALA 101.A N GLU 97.A O no hydrogen 2.966 N/A HIS 102.A N ARG 98.A O no hydrogen 3.072 N/A HIS 102.A NE2 ASP 137.A O no hydrogen 3.122 N/A TYR 103.A N ASP 99.A O no hydrogen 3.133 N/A ILE 104.A N ILE 100.A O no hydrogen 2.792 N/A ARG 105.A N ALA 101.A O no hydrogen 2.870 N/A GLN 106.A N HIS 102.A O no hydrogen 3.456 N/A GLN 106.A NE2 HIS 102.A O no hydrogen 3.339 N/A GLN 106.A NE2 ASP 137.A O no hydrogen 2.807 N/A THR 107.A N TYR 103.A O no hydrogen 3.030 N/A THR 107.A OG1 TYR 103.A O no hydrogen 2.927 N/A LEU 108.A N ILE 104.A O no hydrogen 2.889 N/A TRP 109.A N ARG 105.A O no hydrogen 3.015 N/A GLY 110.A N GLN 106.A O no hydrogen 3.096 N/A LEU 111.A N.A THR 107.A O no hydrogen 2.915 N/A LEU 111.A N.B THR 107.A O no hydrogen 2.913 N/A GLU 112.A N LEU 108.A O no hydrogen 2.701 N/A HIS 113.A N TRP 109.A O no hydrogen 3.098 N/A MET 114.A N GLY 110.A O no hydrogen 3.278 N/A HIS 115.A N LEU 111.A O.A no hydrogen 2.741 N/A HIS 115.A N LEU 111.A O.B no hydrogen 2.764 N/A HIS 115.A NE2 ASP 181.A OD2 no hydrogen 2.802 N/A GLU 116.A N GLU 112.A O no hydrogen 2.841 N/A MET 117.A N MET 114.A O no hydrogen 3.083 N/A GLY 118.A N HIS 115.A O no hydrogen 2.894 N/A VAL 119.A N MET 114.A O no hydrogen 3.041 N/A GLY 120.A N ARG 148.A O no hydrogen 2.897 N/A HIS 121.A N ASP 181.A OD2 no hydrogen 2.740 N/A HIS 121.A NE2 SER 142.A O no hydrogen 2.941 N/A MET 122.A N ASP 181.A OD1 no hydrogen 2.858 N/A GLY 123.A N HIS 121.A ND1 no hydrogen 3.044 N/A THR 125.A N ASP 128.A OD2 no hydrogen 2.824 N/A THR 125.A OG1 ASP 128.A OD2 no hydrogen 3.105 N/A LYS 127.A N THR 125.A OG1 no hydrogen 3.206 N/A LYS 127.A NZ ASP 128.A OD1 no hydrogen 3.224 N/A ASP 128.A N THR 125.A O no hydrogen 3.041 N/A LEU 130.A N LYS 140.A O no hydrogen 2.833 N/A ILE 131.A N GLY 82.A O no hydrogen 2.814 N/A SER 132.A N ILE 138.A O no hydrogen 2.939 N/A GLY 136.A N VAL 133.A O no hydrogen 2.837 N/A ILE 139.A N GLN 106.A OE1 no hydrogen 2.917 N/A LYS 140.A N LEU 130.A O no hydrogen 2.761 N/A LYS 140.A NZ LYS 57.A O no hydrogen 2.767 N/A LYS 140.A NZ GLU 77.A OE2 no hydrogen 3.115 N/A VAL 141.A N ASN 58.A O no hydrogen 2.763 N/A SER 142.A N ASP 128.A O no hydrogen 3.086 N/A SER 142.A OG ASP 128.A O no hydrogen 3.135 N/A PHE 144.A N GLU 47.A OE2 no hydrogen 3.047 N/A GLY 145.A N ASP 143.A OD1 no hydrogen 3.382 N/A SER 147.A N PHE 144.A O no hydrogen 3.127 N/A SER 147.A OG HIS 121.A O no hydrogen 2.963 N/A ARG 148.A N GLY 120.A O no hydrogen 3.090 N/A ARG 148.A NH1 SER 156.A O no hydrogen 3.198 N/A ARG 148.A NH1 THR 157.A O no hydrogen 3.135 N/A ARG 148.A NH2 THR 157.A O no hydrogen 2.821 N/A ILE 150.A N GLY 118.A O no hydrogen 2.870 N/A HIS 153.A N ASN 151.A OD1 no hydrogen 2.835 N/A ASN 154.A N ASN 151.A O no hydrogen 2.870 N/A THR 157.A OG1 ASP 159.A OD1 no hydrogen 2.826 N/A PHE 165.A N MET 162.A O no hydrogen 2.858 N/A SER 167.A OG HIS 180.A ND1 no hydrogen 2.661 N/A GLU 169.A N GLU 169.A OE1 no hydrogen 2.648 N/A VAL 171.A N SER 167.A O no hydrogen 3.240 N/A ASN 172.A N PRO 168.A O no hydrogen 2.888 N/A LYS 173.A N VAL 170.A O no hydrogen 3.079 N/A GLU 174.A N GLU 169.A O no hydrogen 2.897 N/A VAL 176.A N SER 156.A O no hydrogen 2.991 N/A PHE 178.A N ASN 177.A OD1 no hydrogen 2.787 N/A HIS 180.A N ASN 177.A O no hydrogen 3.081 N/A HIS 180.A ND1 SER 167.A OG no hydrogen 2.661 N/A TRP 183.A N SER 179.A O no hydrogen 2.993 N/A TRP 183.A NE1 VAL 166.A O no hydrogen 3.037 N/A THR 184.A N HIS 180.A O no hydrogen 3.073 N/A THR 184.A OG1 ASP 181.A O no hydrogen 2.608 N/A VAL 185.A N ASP 181.A O no hydrogen 2.907 N/A GLY 186.A N MET 182.A O no hydrogen 3.051 N/A LEU 187.A N.A TRP 183.A O no hydrogen 2.941 N/A LEU 187.A N.B TRP 183.A O no hydrogen 2.921 N/A ILE 188.A N THR 184.A O no hydrogen 2.873 N/A THR 189.A N VAL 185.A O no hydrogen 2.915 N/A THR 189.A OG1 VAL 185.A O no hydrogen 2.778 N/A TYR 190.A N GLY 186.A O no hydrogen 2.953 N/A TYR 190.A OH HIS 196.A NE2 no hydrogen 3.063 N/A TYR 190.A OH ASP 217.A O no hydrogen 2.718 N/A VAL 191.A N LEU 187.A O.A no hydrogen 2.942 N/A VAL 191.A N LEU 187.A O.B no hydrogen 2.889 N/A LEU 192.A N ILE 188.A O no hydrogen 2.815 N/A LEU 193.A N THR 189.A O no hydrogen 2.955 N/A GLY 194.A N TYR 190.A O no hydrogen 2.852 N/A GLY 195.A N VAL 191.A O no hydrogen 2.697 N/A ASN 197.A ND2 GLU 164.A O no hydrogen 2.940 N/A ASN 197.A ND2 TYR 279.A OH no hydrogen 3.149 N/A PHE 199.A N ASN 197.A OD1 no hydrogen 2.888 N/A LEU 200.A N ASN 197.A O no hydrogen 3.125 N/A GLY 201.A N THR 207.A OG1 no hydrogen 2.849 N/A ILE 202.A N GLU 206.A OE1 no hydrogen 2.793 N/A GLU 206.A N ASP 203.A OD1 no hydrogen 2.998 N/A THR 207.A N ASP 203.A O no hydrogen 2.931 N/A THR 207.A OG1 ASP 203.A O no hydrogen 3.233 N/A LEU 208.A N ASP 204.A O no hydrogen 2.947 N/A THR 209.A N ARG 205.A O no hydrogen 3.047 N/A THR 209.A OG1 GLU 206.A O no hydrogen 2.842 N/A LYS 210.A N GLU 206.A O no hydrogen 2.902 N/A ILE 211.A N THR 207.A O no hydrogen 2.950 N/A ARG 212.A N LEU 208.A O no hydrogen 2.927 N/A ARG 212.A NE ASN 172.A OD1 no hydrogen 3.511 N/A GLU 213.A N THR 209.A O no hydrogen 3.103 N/A GLY 214.A N LYS 210.A O no hydrogen 2.981 N/A TRP 216.A NE1 LEU 238.A O no hydrogen 3.068 N/A LYS 219.A N ASP 217.A OD1 no hydrogen 3.246 N/A ILE 222.A N ASP 220.A OD1 no hydrogen 2.908 N/A TRP 223.A N ASP 220.A O no hydrogen 3.178 N/A THR 224.A N GLU 221.A O no hydrogen 3.133 N/A THR 224.A OG1 GLU 221.A O no hydrogen 2.814 N/A HIS 225.A N ILE 222.A O no hydrogen 2.939 N/A ILE 226.A N TRP 223.A O no hydrogen 3.225 N/A SER 227.A N GLU 97.A OE1 no hydrogen 2.884 N/A SER 227.A OG GLU 97.A OE2 no hydrogen 2.517 N/A GLY 230.A N SER 227.A OG no hydrogen 2.986 N/A ARG 231.A N SER 227.A O no hydrogen 3.097 N/A ARG 231.A NH1 TRP 223.A O no hydrogen 3.062 N/A ASP 232.A N ASP 228.A O no hydrogen 2.831 N/A PHE 233.A N ASP 229.A O no hydrogen 2.823 N/A ILE 234.A N GLY 230.A O no hydrogen 3.197 N/A SER 235.A N ARG 231.A O no hydrogen 2.948 N/A SER 235.A OG ARG 231.A O no hydrogen 3.177 N/A SER 235.A OG ASP 232.A O no hydrogen 2.991 N/A ARG 236.A N ASP 232.A O no hydrogen 3.015 N/A ARG 236.A N PHE 233.A O no hydrogen 3.285 N/A ARG 236.A NE ASP 232.A OD1 no hydrogen 3.506 N/A ARG 236.A NE ASP 232.A OD2 no hydrogen 2.653 N/A ARG 236.A NH2 ASP 232.A OD1 no hydrogen 3.415 N/A LEU 237.A N ILE 234.A O no hydrogen 2.974 N/A LEU 238.A N ILE 234.A O no hydrogen 2.960 N/A SER 241.A OG GLU 244.A OE2 no hydrogen 2.985 N/A GLU 243.A N GLU 243.A OE1 no hydrogen 3.005 N/A GLU 244.A N SER 241.A O no hydrogen 3.099 N/A ARG 245.A N PRO 242.A O no hydrogen 3.168 N/A ARG 245.A NE LEU 239.A O no hydrogen 2.716 N/A ARG 245.A NH1 GLU 169.A OE1 no hydrogen 3.548 N/A ARG 245.A NH1 GLU 169.A OE2 no hydrogen 2.671 N/A ARG 245.A NH1 SER 179.A O no hydrogen 2.982 N/A ARG 245.A NH2 GLU 169.A OE1 no hydrogen 2.913 N/A ARG 245.A NH2 LEU 239.A O no hydrogen 3.146 N/A ARG 245.A NH2 TYR 240.A O no hydrogen 3.130 N/A MET 246.A N ARG 236.A O no hydrogen 3.097 N/A LYS 249.A NZ GLU 112.A OE2 no hydrogen 2.965 N/A LYS 249.A NZ GLU 116.A OE2 no hydrogen 2.706 N/A THR 250.A N ASP 247.A OD1 no hydrogen 2.743 N/A THR 250.A OG1 ASP 247.A OD1 no hydrogen 2.770 N/A ALA 251.A N ASP 247.A O no hydrogen 2.852 N/A LEU 252.A N VAL 248.A O no hydrogen 3.024 N/A LYS 253.A N LYS 249.A O no hydrogen 3.267 N/A LYS 253.A N THR 250.A O no hydrogen 3.058 N/A LYS 253.A NZ LYS 249.A O no hydrogen 3.507 N/A HIS 254.A N ALA 251.A O no hydrogen 3.060 N/A HIS 254.A NE2 ASP 232.A OD2 no hydrogen 2.918 N/A TRP 256.A N HIS 254.A ND1 no hydrogen 2.857 N/A TRP 256.A NE1 GLU 97.A OE2 no hydrogen 2.876 N/A PHE 257.A N HIS 254.A O no hydrogen 3.223 N/A PHE 258.A N PRO 255.A O no hydrogen 2.846 N/A LEU 260.A N PHE 257.A O no hydrogen 3.103 N/A ASP 261.A N PHE 258.A O no hydrogen 3.087 N/A GLN 270.A NE2 ASP 268.A O no hydrogen 3.226 N/A ILE 271.A N TYR 95.A O no hydrogen 2.749 N/A THR 273.A N ASP 93.A O no hydrogen 3.153 N/A THR 273.A OG1 ARG 92.A O no hydrogen 2.989 N/A THR 273.A OG1 ASP 93.A O no hydrogen 3.349 N/A ARG 275.A NE GLY 194.A O no hydrogen 3.190 N/A ARG 277.A N.A THR 273.A O no hydrogen 2.831 N/A ARG 277.A N.B THR 273.A O no hydrogen 2.861 N/A ARG 277.A NH1.A THR 273.A OG1 no hydrogen 2.906 N/A ARG 277.A NH1.A ASP 274.A OD1 no hydrogen 3.077 N/A ARG 277.A NH2.A LEU 90.A O no hydrogen 3.036 N/A ARG 277.A NH2.A THR 273.A OG1 no hydrogen 3.010 N/A ARG 277.A NH2.B LEU 90.A O no hydrogen 2.235 N/A ASN 278.A N ASP 274.A O no hydrogen 3.001 N/A TYR 279.A N ARG 275.A O no hydrogen 3.031 N/A TYR 279.A OH GLU 164.A OE1 no hydrogen 2.705 N/A TYR 280.A N LEU 276.A O no hydrogen 2.799 N/A ASP 281.A N ARG 277.A O.A no hydrogen 3.039 N/A ASP 281.A N ARG 277.A O.B no hydrogen 2.995 N/A HIS 282.A N ASN 278.A O no hydrogen 3.359 N/A HIS 282.A NE2 GLU 164.A OE2 no hydrogen 2.843 N/A PHE 283.A N TYR 279.A O no hydrogen 2.865 N/A ARG 284.A N TYR 280.A O no hydrogen 2.770 N/A ASP 285.A N HIS 282.A O no hydrogen 3.248 N/A TRP 286.A N PHE 283.A O no hydrogen 3.088 N/A TRP 286.A NE1 ASP 204.A OD2 no hydrogen 3.000 N/A TYR 287.A N ARG 284.A O no hydrogen 3.094 N/A ALA 288.A N ASP 285.A O no hydrogen 2.982 N/A