Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4aa0_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH2 THR 87.A O no hydrogen 3.066 N/A TYR 5.A N VAL 16.A O no hydrogen 2.957 N/A TYR 5.A OH TYR 20.A O no hydrogen 2.900 N/A GLN 7.A N TRP 14.A O no hydrogen 3.144 N/A LEU 9.A N THR 12.A O no hydrogen 3.142 N/A TRP 14.A N GLN 7.A O no hydrogen 2.907 N/A GLU 15.A N TYR 99.A OH no hydrogen 3.063 N/A VAL 16.A N TYR 5.A O no hydrogen 3.158 N/A GLU 18.A N THR 3.A O no hydrogen 2.828 N/A ARG 19.A NE ASP 39.A OD1 no hydrogen 2.791 N/A ARG 19.A NE ASP 39.A OD2 no hydrogen 3.463 N/A ARG 19.A NH2 ASP 39.A OD2 no hydrogen 3.019 N/A TYR 20.A N PRO 17.A O no hydrogen 2.981 N/A TYR 20.A OH ASP 84.A OD2 no hydrogen 2.701 N/A GLN 21.A N PHE 38.A O no hydrogen 2.844 N/A GLN 21.A NE2 GLU 18.A O no hydrogen 2.890 N/A SER 24.A N ALA 36.A O no hydrogen 2.856 N/A SER 24.A OG.A ASN 22.A O no hydrogen 3.288 N/A VAL 26.A N VAL 34.A O no hydrogen 2.917 N/A GLY 29.A N GLY 32.A O no hydrogen 2.811 N/A SER 33.A N LYS 50.A O no hydrogen 3.299 N/A VAL 34.A N GLY 27.A O no hydrogen 2.846 N/A CYS 35.A N VAL 48.A O no hydrogen 2.836 N/A ALA 36.A N SER 24.A O no hydrogen 2.860 N/A ALA 37.A N VAL 46.A O no hydrogen 2.830 N/A PHE 38.A N GLN 21.A O no hydrogen 2.833 N/A ASP 39.A N LEU 44.A O no hydrogen 3.036 N/A THR 40.A N ARG 19.A O no hydrogen 3.044 N/A THR 40.A OG1 ARG 19.A O no hydrogen 2.856 N/A LYS 41.A N ASP 39.A OD1 no hydrogen 3.118 N/A THR 42.A N ASP 39.A O no hydrogen 3.205 N/A GLY 43.A N ASP 39.A O no hydrogen 2.671 N/A LEU 44.A N THR 42.A OG1 no hydrogen 3.374 N/A VAL 46.A N ALA 37.A O no hydrogen 2.824 N/A ALA 47.A N THR 102.A O no hydrogen 2.947 N/A VAL 48.A N CYS 35.A O no hydrogen 2.809 N/A LYS 49.A N LEU 100.A O no hydrogen 2.911 N/A LYS 49.A NZ ALA 30.A O no hydrogen 2.802 N/A LYS 49.A NZ GLU 67.A OE1 no hydrogen 3.199 N/A LYS 49.A NZ GLU 67.A OE2 no hydrogen 2.617 N/A LYS 50.A N SER 33.A O no hydrogen 3.055 N/A LYS 50.A NZ ILE 13.A O no hydrogen 2.971 N/A LEU 51.A N VAL 98.A O no hydrogen 3.123 N/A SER 52.A N TYR 31.A O no hydrogen 2.848 N/A SER 52.A OG TYR 31.A O no hydrogen 3.481 N/A HIS 60.A N SER 57.A OG no hydrogen 3.377 N/A HIS 60.A ND1 ARG 53.A O no hydrogen 2.743 N/A ALA 61.A N SER 57.A O no hydrogen 2.987 N/A LYS 62.A N ILE 58.A O no hydrogen 2.904 N/A LYS 62.A NZ GLU 305.A O no hydrogen 2.634 N/A LYS 62.A NZ ARG 307.A O no hydrogen 3.268 N/A ARG 63.A N ILE 59.A O no hydrogen 2.963 N/A THR 64.A N HIS 60.A O no hydrogen 2.928 N/A THR 64.A OG1 PRO 54.A O no hydrogen 3.157 N/A THR 64.A OG1 HIS 60.A O no hydrogen 2.781 N/A TYR 65.A N ALA 61.A O no hydrogen 3.083 N/A ARG 66.A N LYS 62.A O no hydrogen 2.834 N/A ARG 66.A NE GLU 305.A OE1 no hydrogen 3.487 N/A ARG 66.A NE GLU 305.A OE2 no hydrogen 2.798 N/A ARG 66.A NH2 GLU 305.A OE1 no hydrogen 2.926 N/A GLU 67.A N ARG 63.A O no hydrogen 3.077 N/A LEU 68.A N THR 64.A O no hydrogen 3.122 N/A ARG 69.A N TYR 65.A O no hydrogen 2.907 N/A ARG 69.A NH1 TYR 65.A OH no hydrogen 3.081 N/A ARG 69.A NH2 ASP 301.A O no hydrogen 3.362 N/A LEU 70.A N ARG 66.A O no hydrogen 3.015 N/A LEU 71.A N GLU 67.A O no hydrogen 2.981 N/A LYS 72.A N LEU 68.A O no hydrogen 3.010 N/A LYS 72.A NZ GLU 321.A O no hydrogen 2.888 N/A LYS 72.A NZ GLU 321.A OE1 no hydrogen 2.698 N/A HIS 73.A N ARG 69.A O no hydrogen 3.256 N/A HIS 73.A N LEU 70.A O no hydrogen 2.979 N/A HIS 73.A NE2 ASP 298.A O no hydrogen 2.864 N/A MET 74.A N LEU 70.A O no hydrogen 3.145 N/A LYS 75.A N TYR 129.A OH no hydrogen 2.823 N/A GLU 77.A N GLU 77.A OE1 no hydrogen 2.842 N/A ASN 78.A N HIS 76.A ND1 no hydrogen 3.069 N/A ASN 78.A ND2 LEU 153.A O no hydrogen 3.284 N/A VAL 79.A N HIS 76.A O no hydrogen 3.196 N/A ILE 80.A N ILE 155.A O no hydrogen 3.082 N/A LEU 83.A N VAL 101.A O no hydrogen 2.890 N/A ASP 84.A N VAL 101.A O no hydrogen 3.237 N/A VAL 85.A N ASP 84.A OD1 no hydrogen 2.940 N/A PHE 86.A N TYR 99.A O no hydrogen 3.110 N/A THR 87.A OG1 ASP 97.A O no hydrogen 2.846 N/A ALA 89.A N THR 87.A OG1 no hydrogen 3.234 N/A ARG 90.A N GLU 94.A OE2 no hydrogen 3.055 N/A GLU 94.A N SER 91.A O no hydrogen 3.167 N/A PHE 95.A N LEU 92.A O no hydrogen 3.238 N/A TYR 99.A N PHE 86.A O no hydrogen 3.060 N/A LEU 100.A N LYS 49.A O no hydrogen 2.926 N/A VAL 101.A N ASP 84.A O no hydrogen 2.844 N/A THR 102.A N ALA 47.A O no hydrogen 3.121 N/A THR 102.A OG1 HIS 103.A O no hydrogen 2.854 N/A LEU 109.A N PRO 142.A O no hydrogen 3.338 N/A LEU 109.A N LEU 145.A O no hydrogen 3.154 N/A LEU 111.A N LEU 193.A O no hydrogen 3.167 N/A VAL 116.A N THR 112.A O no hydrogen 2.920 N/A GLN 117.A N ASP 113.A O no hydrogen 2.877 N/A GLN 117.A NE2 ASP 113.A OD2 no hydrogen 2.959 N/A PHE 118.A N ASP 114.A O no hydrogen 3.195 N/A LEU 119.A N HIS 115.A O no hydrogen 3.095 N/A ILE 120.A N VAL 116.A O no hydrogen 2.981 N/A TYR 121.A N GLN 117.A O no hydrogen 3.009 N/A TYR 121.A OH GLU 294.A OE2 no hydrogen 2.594 N/A GLN 122.A N PHE 118.A O no hydrogen 3.075 N/A GLN 122.A NE2 PHE 118.A O no hydrogen 3.219 N/A GLN 122.A NE2 CYS 151.A O no hydrogen 2.886 N/A ILE 123.A N LEU 119.A O no hydrogen 3.101 N/A LEU 124.A N ILE 120.A O no hydrogen 2.956 N/A ARG 125.A N TYR 121.A O no hydrogen 2.852 N/A ARG 125.A NE ASP 293.A O no hydrogen 2.778 N/A ARG 125.A NH1 GLU 77.A OE1 no hydrogen 3.390 N/A ARG 125.A NH1 ASN 78.A OD1 no hydrogen 2.766 N/A ARG 125.A NH2 GLU 77.A OE1 no hydrogen 3.328 N/A ARG 125.A NH2 ASP 293.A O no hydrogen 3.184 N/A ARG 125.A NH2 ASP 293.A OD1 no hydrogen 3.222 N/A GLY 126.A N GLN 122.A O no hydrogen 3.021 N/A LEU 127.A N ILE 123.A O no hydrogen 2.865 N/A LYS 128.A N LEU 124.A O no hydrogen 2.891 N/A LYS 128.A NZ GLU 294.A O no hydrogen 2.910 N/A TYR 129.A N ARG 125.A O no hydrogen 3.362 N/A TYR 129.A OH HIS 73.A O no hydrogen 3.410 N/A ILE 130.A N GLY 126.A O no hydrogen 2.983 N/A HIS 131.A N LEU 127.A O no hydrogen 2.896 N/A HIS 131.A NE2 ASP 182.A OD2 no hydrogen 2.876 N/A SER 132.A N LYS 128.A O no hydrogen 3.052 N/A SER 132.A OG TYR 129.A O no hydrogen 2.706 N/A ALA 133.A N ILE 130.A O no hydrogen 3.021 N/A ASP 134.A N HIS 131.A O no hydrogen 3.016 N/A ILE 135.A N ILE 130.A O no hydrogen 3.139 N/A HIS 137.A N ASP 182.A OD2 no hydrogen 2.963 N/A HIS 137.A NE2 LEU 156.A O no hydrogen 2.826 N/A ARG 138.A N ASP 182.A OD1 no hydrogen 2.949 N/A ASP 139.A N HIS 137.A ND1 no hydrogen 3.023 N/A LYS 141.A NZ THR 162.A OG1 no hydrogen 3.208 N/A ASN 144.A N LYS 141.A O no hydrogen 3.004 N/A ASN 144.A ND2 ASP 139.A O no hydrogen 2.942 N/A LEU 145.A N PRO 142.A O no hydrogen 3.320 N/A ALA 146.A N LYS 154.A O no hydrogen 2.908 N/A VAL 147.A N ALA 107.A O no hydrogen 3.000 N/A ASN 148.A N GLU 152.A O no hydrogen 3.160 N/A ASN 148.A ND2 GLU 152.A OE1 no hydrogen 3.030 N/A CYS 151.A N ASN 148.A O no hydrogen 2.984 N/A GLU 152.A N ASN 148.A OD1 no hydrogen 3.226 N/A LEU 153.A N GLN 122.A OE1 no hydrogen 2.886 N/A LYS 154.A N ALA 146.A O no hydrogen 2.879 N/A LYS 154.A NZ GLU 77.A O no hydrogen 2.936 N/A ILE 155.A N ASN 78.A O no hydrogen 2.872 N/A LEU 156.A N ASN 144.A O no hydrogen 3.118 N/A PHE 158.A N ASN 144.A OD1 no hydrogen 3.003 N/A GLY 159.A N ASP 157.A OD1 no hydrogen 2.724 N/A THR 162.A OG1 ASP 139.A OD1 no hydrogen 2.810 N/A THR 162.A OG1 ASP 139.A OD2 no hydrogen 3.497 N/A ARG 163.A NE GLY 202.A O no hydrogen 2.708 N/A ARG 163.A NH2 GLY 202.A O no hydrogen 3.292 N/A TRP 164.A N ALA 161.A O no hydrogen 3.210 N/A TRP 164.A NE1 GLY 202.A O no hydrogen 3.008 N/A TYR 165.A N THR 162.A O no hydrogen 3.046 N/A TYR 165.A OH GLU 192.A OE1 no hydrogen 2.647 N/A ARG 166.A N ARG 163.A O no hydrogen 3.479 N/A ARG 166.A NE ARG 138.A O no hydrogen 3.450 N/A ARG 166.A NH2 ARG 138.A O no hydrogen 2.934 N/A GLU 169.A N GLU 169.A OE1 no hydrogen 2.738 N/A ILE 170.A N ALA 167.A O no hydrogen 3.080 N/A MET 171.A N ALA 167.A O no hydrogen 2.985 N/A LEU 172.A N PRO 168.A O no hydrogen 2.913 N/A HIS 176.A NE2 ASP 271.A OD1 no hydrogen 2.660 N/A ASN 178.A ND2 SER 270.A O no hydrogen 3.277 N/A GLN 179.A N GLN 179.A OE1 no hydrogen 2.910 N/A GLN 179.A NE2 HIS 131.A O no hydrogen 2.967 N/A THR 180.A N ASN 178.A OD1 no hydrogen 2.760 N/A THR 180.A OG1 ASN 178.A OD1 no hydrogen 2.658 N/A THR 180.A OG1 SER 270.A O no hydrogen 3.462 N/A VAL 181.A N ASN 178.A O no hydrogen 3.323 N/A ASP 182.A N GLN 179.A O no hydrogen 3.098 N/A TRP 184.A N THR 180.A O no hydrogen 3.285 N/A SER 185.A N VAL 181.A O no hydrogen 3.466 N/A SER 185.A OG TYR 165.A O no hydrogen 2.652 N/A SER 185.A OG VAL 181.A O no hydrogen 3.538 N/A VAL 186.A N ASP 182.A O no hydrogen 2.987 N/A GLY 187.A N ILE 183.A O no hydrogen 2.974 N/A CYS 188.A N TRP 184.A O no hydrogen 3.144 N/A CYS 188.A SG TRP 164.A O no hydrogen 4.015 N/A CYS 188.A SG TRP 184.A O no hydrogen 3.639 N/A ILE 189.A N SER 185.A O no hydrogen 2.935 N/A MET 190.A N VAL 186.A O no hydrogen 2.885 N/A ALA 191.A N GLY 187.A O no hydrogen 3.026 N/A GLU 192.A N CYS 188.A O no hydrogen 3.273 N/A LEU 193.A N ILE 189.A O no hydrogen 2.989 N/A LEU 194.A N MET 190.A O no hydrogen 3.040 N/A THR 195.A N ALA 191.A O no hydrogen 2.894 N/A THR 195.A OG1 ALA 191.A O no hydrogen 3.059 N/A GLY 196.A N GLU 192.A O no hydrogen 2.810 N/A ARG 197.A N THR 195.A OG1 no hydrogen 3.144 N/A GLY 202.A N PHE 200.A O no hydrogen 3.022 N/A GLY 202.A N GLN 208.A OE1 no hydrogen 2.900 N/A THR 203.A N ASP 207.A OD2 no hydrogen 2.773 N/A ASP 207.A N ASP 204.A OD1 no hydrogen 2.801 N/A GLN 208.A N ASP 204.A O no hydrogen 2.803 N/A GLN 208.A NE2 TRP 164.A O no hydrogen 3.616 N/A GLN 208.A NE2 PHE 200.A O no hydrogen 3.012 N/A LEU 209.A N HIS 205.A O no hydrogen 3.125 N/A LYS 210.A N ILE 206.A O no hydrogen 3.107 N/A LEU 211.A N ASP 207.A O no hydrogen 3.032 N/A ILE 212.A N GLN 208.A O no hydrogen 3.055 N/A LEU 213.A N LEU 209.A O no hydrogen 2.926 N/A ARG 214.A N LYS 210.A O no hydrogen 3.202 N/A LEU 215.A N ILE 212.A O no hydrogen 3.077 N/A VAL 216.A N ILE 212.A O no hydrogen 3.072 N/A GLY 217.A N LEU 213.A O no hydrogen 2.884 N/A THR 218.A N MET 242.A O no hydrogen 2.855 N/A THR 218.A OG1 MET 242.A O no hydrogen 3.174 N/A LEU 224.A N GLY 220.A O no hydrogen 3.041 N/A LYS 225.A NZ GLU 222.A OE2 no hydrogen 3.541 N/A LYS 226.A N LEU 223.A O no hydrogen 2.877 N/A LYS 226.A NZ ASP 269.A OD1 no hydrogen 3.250 N/A LYS 226.A NZ ASP 269.A OD2 no hydrogen 2.801 N/A LYS 226.A NZ ASP 271.A OD2 no hydrogen 2.944 N/A ILE 227.A N LEU 224.A O no hydrogen 3.352 N/A SER 228.A N TRP 174.A O no hydrogen 3.143 N/A ALA 232.A N SER 229.A OG no hydrogen 3.369 N/A ARG 233.A N SER 229.A O no hydrogen 3.032 N/A ARG 233.A NH1 ILE 227.A O no hydrogen 2.724 N/A ASN 234.A N GLU 230.A O no hydrogen 2.958 N/A TYR 235.A N SER 231.A O no hydrogen 3.025 N/A ILE 236.A N ALA 232.A O no hydrogen 2.963 N/A GLN 237.A N ARG 233.A O no hydrogen 3.053 N/A SER 238.A N ASN 234.A O no hydrogen 2.978 N/A SER 238.A N TYR 235.A O no hydrogen 3.050 N/A SER 238.A OG ASN 234.A O no hydrogen 3.372 N/A SER 238.A OG TYR 235.A O no hydrogen 2.686 N/A LEU 239.A N TYR 235.A O no hydrogen 3.288 N/A LYS 244.A NZ MET 245.A O no hydrogen 2.938 N/A LYS 244.A NZ GLU 263.A OE1 no hydrogen 2.793 N/A LYS 244.A NZ GLU 263.A OE2 no hydrogen 3.473 N/A MET 245.A N LEU 215.A O no hydrogen 3.134 N/A PHE 247.A N GLU 263.A OE2 no hydrogen 3.445 N/A ALA 248.A N ASN 246.A OD1 no hydrogen 3.249 N/A ASN 249.A N ASN 246.A O no hydrogen 3.063 N/A VAL 250.A N PHE 247.A O no hydrogen 2.954 N/A PHE 251.A N PHE 247.A O no hydrogen 2.867 N/A ALA 254.A N PHE 251.A O no hydrogen 3.052 N/A ASN 255.A ND2 ASP 113.A OD2 no hydrogen 3.055 N/A LEU 257.A N ASN 255.A OD1 no hydrogen 2.956 N/A VAL 259.A N ASN 255.A O no hydrogen 3.127 N/A ASP 260.A N PRO 256.A O no hydrogen 3.006 N/A LEU 261.A N LEU 257.A O no hydrogen 3.028 N/A LEU 262.A N ALA 258.A O no hydrogen 2.936 N/A GLU 263.A N VAL 259.A O no hydrogen 2.993 N/A LYS 264.A N ASP 260.A O no hydrogen 3.194 N/A LYS 264.A N LEU 261.A O no hydrogen 3.070 N/A LYS 264.A NZ ASP 260.A OD1 no hydrogen 3.168 N/A LYS 264.A NZ ASP 260.A OD2 no hydrogen 3.140 N/A MET 265.A N LEU 261.A O no hydrogen 3.069 N/A MET 265.A N LEU 262.A O no hydrogen 3.188 N/A LEU 266.A N LEU 262.A O no hydrogen 2.953 N/A SER 270.A OG HIS 176.A O no hydrogen 2.868 N/A ASP 271.A N ASP 269.A OD1 no hydrogen 2.974 N/A LYS 272.A N ASP 269.A O no hydrogen 2.897 N/A ARG 273.A N ASP 269.A O no hydrogen 3.143 N/A ARG 273.A NE VAL 267.A O no hydrogen 3.173 N/A ARG 273.A NH1 GLU 169.A OE2 no hydrogen 2.754 N/A ARG 273.A NH1 THR 180.A O no hydrogen 3.017 N/A ARG 273.A NH2 GLU 169.A OE1 no hydrogen 3.136 N/A ARG 273.A NH2 VAL 267.A O no hydrogen 3.022 N/A ILE 274.A N LYS 264.A O no hydrogen 3.243 N/A THR 275.A N GLN 278.A OE1 no hydrogen 3.067 N/A GLN 278.A N THR 275.A OG1 no hydrogen 3.155 N/A ALA 279.A N THR 275.A O no hydrogen 2.986 N/A LEU 280.A N ALA 276.A O no hydrogen 3.078 N/A ALA 281.A N GLN 278.A O no hydrogen 3.155 N/A HIS 282.A N ALA 279.A O no hydrogen 3.069 N/A HIS 282.A NE2 ASP 260.A OD2 no hydrogen 2.736 N/A TYR 284.A N HIS 282.A ND1 no hydrogen 3.013 N/A TYR 284.A OH ASP 113.A OD1 no hydrogen 2.701 N/A PHE 285.A N HIS 282.A O no hydrogen 3.016 N/A ALA 286.A N ALA 283.A O no hydrogen 3.043 N/A TYR 288.A N PHE 285.A O no hydrogen 2.863 N/A HIS 289.A N PHE 285.A O no hydrogen 2.958 N/A ASP 290.A N GLU 294.A OE2 no hydrogen 3.133 N/A ASP 292.A N ASP 290.A OD1 no hydrogen 2.925 N/A ASP 293.A N ASP 290.A O no hydrogen 2.934 N/A ALA 297.A N SER 132.A OG no hydrogen 2.837 N/A SER 303.A N ASP 301.A OD1 no hydrogen 2.728 N/A SER 303.A OG ASP 301.A OD1 no hydrogen 2.705 N/A SER 303.A OG ASP 301.A OD2 no hydrogen 3.423 N/A GLU 305.A N GLN 302.A O no hydrogen 3.110 N/A SER 306.A OG SER 303.A O no hydrogen 3.218 N/A ARG 307.A N PHE 304.A O no hydrogen 3.057 N/A ARG 307.A NH2 SER 303.A OG no hydrogen 2.990 N/A LEU 310.A N GLU 313.A OE1 no hydrogen 3.089 N/A GLU 313.A N LEU 310.A O no hydrogen 3.103 N/A TRP 314.A N LEU 310.A O no hydrogen 3.168 N/A LYS 315.A N ILE 311.A O no hydrogen 2.967 N/A LYS 315.A NZ LEU 92.A O no hydrogen 3.056 N/A SER 316.A N ASP 312.A O no hydrogen 3.025 N/A LEU 317.A N GLU 313.A O no hydrogen 3.093 N/A THR 318.A N TRP 314.A O no hydrogen 2.924 N/A THR 318.A OG1 TRP 314.A O no hydrogen 3.017 N/A TYR 319.A N LYS 315.A O no hydrogen 2.849 N/A ASP 320.A N SER 316.A O no hydrogen 3.002 N/A GLU 321.A N LEU 317.A O no hydrogen 3.246 N/A VAL 322.A N THR 318.A O no hydrogen 3.055 N/A ILE 323.A N TYR 319.A O no hydrogen 3.002 N/A SER 324.A N ASP 320.A O no hydrogen 2.900 N/A SER 324.A OG ASP 320.A O no hydrogen 3.291 N/A PHE 325.A N VAL 322.A O no hydrogen 3.362 N/A