Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4au3_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A N GLU 77.A OE2 no hydrogen 2.799 N/A SER 2.A OG GLU 77.A OE1 no hydrogen 2.653 N/A LYS 4.A NZ GLU 70.A OE2 no hydrogen 3.067 N/A ALA 5.A N SER 2.A OG no hydrogen 3.207 N/A ALA 6.A N SER 2.A O no hydrogen 3.000 N/A THR 7.A N PRO 3.A O no hydrogen 3.124 N/A THR 7.A OG1 PRO 3.A O no hydrogen 3.141 N/A THR 7.A OG1 LYS 4.A O no hydrogen 2.920 N/A LEU 8.A N LYS 4.A O no hydrogen 3.080 N/A ALA 9.A N ALA 5.A O no hydrogen 2.925 N/A GLU 10.A N ALA 6.A O no hydrogen 3.153 N/A ARG 11.A N THR 7.A O no hydrogen 3.219 N/A SER 12.A N LEU 8.A O no hydrogen 2.764 N/A SER 12.A OG LEU 8.A O no hydrogen 2.702 N/A ALA 13.A N ALA 9.A O no hydrogen 3.062 N/A GLY 14.A N GLU 10.A O no hydrogen 3.103 N/A LEU 15.A N ARG 11.A O no hydrogen 2.910 N/A ALA 16.A N SER 12.A O no hydrogen 2.976 N/A PHE 17.A N ALA 13.A O no hydrogen 2.834 N/A SER 18.A N GLY 14.A O no hydrogen 3.069 N/A SER 18.A OG GLY 14.A O no hydrogen 3.134 N/A LEU 19.A N LEU 15.A O no hydrogen 2.747 N/A TYR 20.A N ALA 16.A O no hydrogen 2.797 N/A TYR 20.A OH GLU 234.A OE2 no hydrogen 2.852 N/A GLN 21.A N PHE 17.A O no hydrogen 2.953 N/A GLN 21.A NE2 GLU 234.A O no hydrogen 2.713 N/A GLN 21.A NE2 LEU 237.A O no hydrogen 3.557 N/A ALA 22.A N SER 18.A O no hydrogen 3.006 N/A LYS 24.A N GLN 21.A O no hydrogen 3.255 N/A ALA 27.A N ASP 25.A OD1 no hydrogen 2.959 N/A VAL 28.A N ASP 25.A O no hydrogen 3.230 N/A ASN 30.A ND2 ARG 346.A O no hydrogen 2.888 N/A ILE 31.A N ARG 343.A O no hydrogen 3.199 N/A LEU 32.A N HIS 265.A NE2 no hydrogen 2.948 N/A LEU 33.A N ILE 341.A O no hydrogen 2.868 N/A SER 34.A N HIS 302.A NE2 no hydrogen 3.083 N/A SER 34.A OG LEU 339.A O no hydrogen 3.511 N/A VAL 38.A N SER 34.A O no hydrogen 2.989 N/A ALA 39.A N PRO 35.A O no hydrogen 2.841 N/A SER 40.A N VAL 36.A O no hydrogen 2.742 N/A SER 40.A OG VAL 37.A O no hydrogen 2.810 N/A SER 41.A N VAL 37.A O no hydrogen 3.094 N/A SER 41.A N VAL 38.A O no hydrogen 3.143 N/A SER 41.A OG VAL 37.A O no hydrogen 2.959 N/A LEU 42.A N VAL 38.A O no hydrogen 3.447 N/A GLY 43.A N ALA 39.A O no hydrogen 2.974 N/A LEU 44.A N SER 40.A O no hydrogen 3.187 N/A VAL 45.A N SER 41.A O no hydrogen 3.338 N/A SER 46.A N LEU 42.A O no hydrogen 2.901 N/A LEU 47.A N GLY 43.A O no hydrogen 2.881 N/A GLY 48.A N LEU 44.A O no hydrogen 2.704 N/A GLY 49.A N VAL 45.A O no hydrogen 2.653 N/A LYS 50.A N ASP 286.A O no hydrogen 2.916 N/A LYS 50.A NZ ASP 286.A OD1 no hydrogen 3.242 N/A LYS 50.A NZ ASP 286.A OD2 no hydrogen 2.795 N/A THR 53.A OG1 GLU 278.A OE1 no hydrogen 3.011 N/A SER 55.A N ALA 51.A O no hydrogen 3.115 N/A SER 55.A OG ALA 51.A O no hydrogen 3.432 N/A SER 55.A OG THR 52.A O no hydrogen 3.043 N/A GLN 56.A N THR 52.A O no hydrogen 2.947 N/A LYS 58.A N ALA 54.A O no hydrogen 3.144 N/A LYS 58.A NZ LEU 66.A O no hydrogen 2.708 N/A LYS 58.A NZ ASP 68.A OD1 no hydrogen 2.809 N/A ALA 59.A N SER 55.A O no hydrogen 2.935 N/A VAL 60.A N GLN 56.A O no hydrogen 2.788 N/A LEU 61.A N ALA 57.A O no hydrogen 3.408 N/A SER 62.A N ALA 59.A O no hydrogen 3.018 N/A ALA 63.A N LYS 58.A O no hydrogen 2.877 N/A GLU 64.A N GLU 64.A OE1 no hydrogen 3.020 N/A LEU 66.A N ALA 63.A O no hydrogen 3.071 N/A ARG 67.A N GLU 70.A OE1 no hydrogen 2.686 N/A VAL 71.A N ARG 67.A O no hydrogen 3.302 N/A HIS 72.A N ASP 68.A O no hydrogen 3.182 N/A HIS 72.A ND1 TYR 113.A OH no hydrogen 2.718 N/A ALA 73.A N GLU 69.A O no hydrogen 2.958 N/A GLY 74.A N GLU 70.A O no hydrogen 3.263 N/A LEU 75.A N VAL 71.A O no hydrogen 3.301 N/A GLY 76.A N HIS 72.A O no hydrogen 3.271 N/A GLU 77.A N ALA 73.A O no hydrogen 3.176 N/A LEU 78.A N GLY 74.A O no hydrogen 3.181 N/A LEU 79.A N LEU 75.A O no hydrogen 3.124 N/A ARG 80.A N GLY 76.A O no hydrogen 3.010 N/A SER 81.A N GLU 77.A O no hydrogen 2.857 N/A SER 81.A OG LEU 78.A O no hydrogen 2.993 N/A LEU 82.A N LEU 78.A O no hydrogen 3.273 N/A SER 83.A N ARG 80.A O no hydrogen 3.192 N/A LYS 88.A N PHE 163.A O no hydrogen 2.841 N/A LYS 88.A NZ ASP 141.A OD2 no hydrogen 2.742 N/A GLY 90.A N ALA 162.A O no hydrogen 3.012 N/A SER 91.A OG ASN 161.A OD1 no hydrogen 2.346 N/A ARG 92.A N VAL 160.A O no hydrogen 2.849 N/A ARG 92.A NE TYR 94.A OH no hydrogen 3.443 N/A ARG 92.A NH1 GLU 116.A OE1 no hydrogen 2.980 N/A LEU 93.A N GLU 116.A O no hydrogen 2.850 N/A TYR 94.A N LEU 158.A O no hydrogen 2.655 N/A GLY 95.A N SER 118.A O no hydrogen 3.233 N/A VAL 99.A N PRO 96.A O no hydrogen 3.204 N/A VAL 106.A N ALA 102.A O no hydrogen 2.856 N/A ARG 107.A N GLU 103.A O no hydrogen 3.005 N/A SER 108.A N ASP 104.A O no hydrogen 3.254 N/A SER 108.A OG ASP 104.A O no hydrogen 3.097 N/A SER 108.A OG PHE 105.A O no hydrogen 2.950 N/A SER 109.A N PHE 105.A O no hydrogen 2.785 N/A SER 109.A OG PHE 105.A O no hydrogen 3.217 N/A SER 109.A OG VAL 106.A O no hydrogen 2.956 N/A SER 109.A OG CYS 115.A O no hydrogen 3.533 N/A SER 109.A OG HIS 117.A NE2 no hydrogen 2.541 N/A LYS 110.A N VAL 106.A O no hydrogen 3.128 N/A GLN 111.A N ARG 107.A O no hydrogen 2.997 N/A HIS 112.A N SER 108.A O no hydrogen 2.981 N/A TYR 113.A N SER 109.A O no hydrogen 3.065 N/A TYR 113.A OH HIS 72.A ND1 no hydrogen 2.718 N/A ASN 114.A N LYS 110.A O no hydrogen 3.244 N/A CYS 115.A N SER 109.A O no hydrogen 3.147 N/A GLU 116.A N SER 91.A O no hydrogen 3.376 N/A HIS 117.A NE2 SER 109.A OG no hydrogen 2.541 N/A SER 118.A N LEU 93.A O no hydrogen 2.804 N/A ILE 120.A N GLY 95.A O no hydrogen 3.291 N/A ARG 123.A N ASN 121.A OD1 no hydrogen 3.175 N/A LYS 125.A NZ ASP 150.A OD1 no hydrogen 2.699 N/A ALA 128.A N ASP 124.A O no hydrogen 2.760 N/A LEU 129.A N LYS 125.A O no hydrogen 2.886 N/A GLN 130.A N ARG 126.A O no hydrogen 2.829 N/A SER 131.A N SER 127.A O no hydrogen 2.997 N/A SER 131.A OG SER 127.A O no hydrogen 3.365 N/A SER 131.A OG ALA 128.A O no hydrogen 3.102 N/A ILE 132.A N ALA 128.A O no hydrogen 3.259 N/A ASN 133.A N LEU 129.A O no hydrogen 2.830 N/A ASN 133.A ND2 THR 148.A O no hydrogen 3.307 N/A GLU 134.A N GLN 130.A O no hydrogen 2.869 N/A TRP 135.A N SER 131.A O no hydrogen 2.938 N/A ALA 136.A N ILE 132.A O no hydrogen 2.945 N/A ALA 137.A N ASN 133.A O no hydrogen 2.867 N/A GLN 138.A N GLU 134.A O no hydrogen 2.808 N/A THR 139.A N TRP 135.A O no hydrogen 2.982 N/A THR 139.A OG1 TRP 135.A O no hydrogen 2.693 N/A THR 140.A N ALA 136.A O no hydrogen 3.106 N/A THR 140.A OG1 ALA 136.A O no hydrogen 2.692 N/A THR 140.A OG1 ALA 137.A O no hydrogen 3.371 N/A ASP 141.A N GLN 138.A O no hydrogen 3.201 N/A GLY 142.A N ALA 137.A O no hydrogen 2.624 N/A LYS 143.A NZ GLU 307.A OE1 no hydrogen 3.011 N/A LYS 143.A NZ GLU 307.A OE2 no hydrogen 3.502 N/A LEU 144.A N THR 140.A OG1 no hydrogen 3.170 N/A VAL 147.A N ASN 133.A OD1 no hydrogen 2.668 N/A THR 148.A OG1 ASP 150.A O no hydrogen 2.811 N/A ASP 150.A N THR 148.A OG1 no hydrogen 3.321 N/A ARG 153.A NH2 ASP 266.A OD2 no hydrogen 3.220 N/A ALA 157.A N TYR 296.A O no hydrogen 2.869 N/A LEU 158.A N TYR 94.A O no hydrogen 2.612 N/A LEU 159.A N SER 299.A O no hydrogen 3.052 N/A VAL 160.A N ARG 92.A O no hydrogen 2.742 N/A ASN 161.A N PHE 301.A O no hydrogen 2.816 N/A ALA 162.A N GLY 90.A O no hydrogen 2.991 N/A PHE 164.A N ALA 305.A O no hydrogen 3.035 N/A LYS 165.A N THR 86.A O no hydrogen 2.966 N/A LYS 165.A NZ ASP 309.A OD2 no hydrogen 2.702 N/A TRP 168.A N GLU 311.A O no hydrogen 3.478 N/A TRP 168.A NE1 ASP 309.A O no hydrogen 2.764 N/A ASP 169.A N PRO 212.A O no hydrogen 3.033 N/A LYS 171.A N ASN 313.A O no hydrogen 3.106 N/A LYS 171.A NZ PHE 172.A O no hydrogen 2.652 N/A PHE 172.A N THR 310.A O no hydrogen 2.878 N/A LYS 175.A N HIS 173.A ND1 no hydrogen 2.872 N/A ARG 179.A N VAL 190.A O no hydrogen 2.811 N/A ARG 179.A NE ASP 177.A OD1 no hydrogen 2.857 N/A ARG 179.A NH1 TYR 321.A OH no hydrogen 2.781 N/A ARG 179.A NH2 ASP 177.A OD2 no hydrogen 2.948 N/A PHE 181.A N VAL 188.A O no hydrogen 2.682 N/A THR 183.A N TYR 186.A O no hydrogen 3.175 N/A THR 183.A OG1 SER 185.A OG no hydrogen 3.276 N/A SER 185.A N THR 183.A OG1 no hydrogen 3.202 N/A SER 185.A OG THR 183.A OG1 no hydrogen 3.276 N/A TYR 186.A N THR 183.A O no hydrogen 3.360 N/A VAL 188.A N PHE 181.A O no hydrogen 2.809 N/A GLY 189.A N ASP 350.A O no hydrogen 3.019 N/A VAL 190.A N ARG 179.A O no hydrogen 2.785 N/A THR 191.A OG1 ASN 178.A OD1 no hydrogen 3.322 N/A HIS 192.A ND1 SER 255.A OG no hydrogen 2.712 N/A HIS 192.A NE2 ASP 177.A OD1 no hydrogen 2.710 N/A ARG 193.A N ILE 254.A O no hydrogen 2.975 N/A ARG 193.A NE LYS 171.A O no hydrogen 3.040 N/A ARG 193.A NH1 GLU 170.A OE1 no hydrogen 3.087 N/A ARG 193.A NH1 TYR 197.A OH no hydrogen 2.812 N/A ARG 193.A NH2 GLU 170.A OE1 no hydrogen 2.985 N/A GLY 195.A N VAL 252.A O no hydrogen 3.040 N/A TYR 197.A N LYS 250.A O no hydrogen 2.879 N/A TYR 199.A N GLN 248.A O no hydrogen 2.878 N/A TYR 199.A OH ASP 201.A OD2 no hydrogen 3.144 N/A TYR 200.A N ILE 209.A O no hydrogen 2.852 N/A ASP 202.A N LEU 207.A O no hydrogen 2.882 N/A LYS 204.A NZ GLU 205.A OE2 no hydrogen 3.281 N/A GLU 205.A N ASP 202.A OD1 no hydrogen 3.174 N/A LEU 207.A N ASP 202.A O no hydrogen 3.228 N/A GLN 208.A NE2 TYR 199.A OH no hydrogen 2.841 N/A GLN 208.A NE2 LEU 319.A O no hydrogen 2.636 N/A ILE 209.A N TYR 200.A O no hydrogen 2.818 N/A VAL 210.A N ILE 222.A O no hydrogen 3.018 N/A GLU 211.A N ASN 198.A O no hydrogen 2.892 N/A LEU 213.A N SER 218.A O no hydrogen 2.892 N/A ALA 214.A N HIS 167.A O no hydrogen 2.698 N/A LYS 216.A N LEU 213.A O no hydrogen 2.805 N/A LYS 216.A NZ ASP 169.A OD2 no hydrogen 3.230 N/A LEU 217.A N ALA 214.A O no hydrogen 3.346 N/A SER 219.A N ARG 331.A O no hydrogen 2.937 N/A SER 219.A OG GLU 211.A OE2 no hydrogen 2.965 N/A ILE 221.A N LEU 329.A O no hydrogen 2.754 N/A ILE 222.A N VAL 210.A O no hydrogen 2.859 N/A LEU 223.A N ILE 327.A O no hydrogen 2.740 N/A HIS 225.A N LYS 206.A O no hydrogen 2.832 N/A ARG 232.A NE GLU 228.A OE1 no hydrogen 2.994 N/A ARG 232.A NE GLU 228.A OE2 no hydrogen 3.195 N/A ARG 232.A NH1 GLU 205.A O no hydrogen 2.740 N/A ARG 232.A NH2 GLU 205.A O no hydrogen 3.177 N/A ARG 232.A NH2 LYS 206.A O no hydrogen 3.400 N/A ARG 232.A NH2 GLU 228.A OE1 no hydrogen 3.052 N/A ARG 232.A NH2 GLU 228.A OE2 no hydrogen 3.247 N/A GLU 234.A N LEU 230.A O no hydrogen 2.800 N/A LYS 235.A N GLU 231.A O no hydrogen 3.087 N/A LEU 237.A N LEU 233.A O no hydrogen 3.023 N/A LEU 237.A N GLU 234.A O no hydrogen 3.163 N/A GLN 241.A N THR 238.A OG1 no hydrogen 2.902 N/A GLN 241.A NE2 GLN 241.A O no hydrogen 3.119 N/A LEU 242.A N THR 238.A O no hydrogen 2.958 N/A LYS 243.A N LYS 239.A O no hydrogen 3.152 N/A ILE 244.A N GLU 240.A O no hydrogen 3.060 N/A TRP 245.A N GLN 241.A O no hydrogen 2.909 N/A LYS 247.A N ILE 244.A O no hydrogen 3.210 N/A LYS 247.A N TRP 245.A O no hydrogen 3.217 N/A LYS 247.A NZ TYR 200.A OH no hydrogen 3.439 N/A LYS 250.A N TYR 197.A O no hydrogen 2.820 N/A VAL 252.A N GLY 195.A O no hydrogen 2.717 N/A ALA 253.A N LYS 318.A O no hydrogen 2.856 N/A ILE 254.A N ARG 193.A O no hydrogen 2.782 N/A SER 255.A N PHE 320.A O no hydrogen 2.909 N/A SER 255.A OG HIS 192.A ND1 no hydrogen 2.712 N/A LYS 258.A N THR 191.A O no hydrogen 2.687 N/A LYS 258.A NZ ASP 309.A OD1 no hydrogen 2.782 N/A GLY 259.A N TRP 308.A O no hydrogen 2.872 N/A VAL 261.A N PHE 306.A O no hydrogen 2.808 N/A VAL 263.A N THR 304.A O no hydrogen 2.750 N/A THR 264.A OG1 VAL 147.A O no hydrogen 2.878 N/A HIS 265.A N HIS 302.A O no hydrogen 2.895 N/A LEU 267.A N VAL 300.A O no hydrogen 2.876 N/A GLN 268.A N ASP 266.A OD1 no hydrogen 3.398 N/A LYS 269.A NZ ASP 25.A OD2 no hydrogen 3.227 N/A HIS 270.A NE2 ASP 25.A OD2 no hydrogen 3.227 N/A LEU 271.A N LEU 267.A O no hydrogen 2.990 N/A ALA 272.A N GLN 268.A O no hydrogen 3.165 N/A GLY 273.A N LYS 269.A O no hydrogen 3.245 N/A LEU 274.A N LEU 271.A O no hydrogen 3.045 N/A GLY 275.A N ALA 272.A O no hydrogen 3.239 N/A LEU 276.A N LEU 271.A O no hydrogen 2.929 N/A THR 277.A N GLY 275.A O no hydrogen 2.981 N/A GLU 278.A N GLN 56.A OE1 no hydrogen 2.795 N/A ASP 281.A N GLU 278.A O no hydrogen 3.319 N/A LYS 282.A NZ ASP 155.A OD2 no hydrogen 3.076 N/A ASN 283.A N ASP 281.A OD1 no hydrogen 3.117 N/A ASN 283.A ND2 ASP 281.A OD1 no hydrogen 3.196 N/A LYS 284.A N ASP 281.A O no hydrogen 3.186 N/A SER 285.A N ASP 281.A O no hydrogen 2.808 N/A SER 285.A OG ASP 281.A O no hydrogen 3.074 N/A SER 285.A OG LYS 282.A O no hydrogen 3.503 N/A SER 285.A OG LEU 295.A O no hydrogen 2.934 N/A ASP 286.A N THR 53.A OG1 no hydrogen 3.315 N/A SER 288.A OG ASP 286.A OD1 no hydrogen 2.765 N/A ARG 289.A N GLY 48.A O no hydrogen 2.982 N/A SER 290.A OG LEU 287.A O no hydrogen 3.366 N/A SER 290.A OG LYS 292.A O no hydrogen 3.255 N/A SER 290.A OG ASP 294.A OD1 no hydrogen 2.623 N/A LYS 292.A NZ LYS 293.A O no hydrogen 3.249 N/A LYS 293.A NZ SER 285.A O no hydrogen 2.936 N/A TYR 296.A OH ASP 155.A OD1 no hydrogen 2.696 N/A LEU 297.A N ALA 279.A O no hydrogen 2.814 N/A ALA 298.A N ALA 157.A O no hydrogen 2.869 N/A SER 299.A OG ASP 266.A OD2 no hydrogen 2.693 N/A VAL 300.A N ASP 266.A OD1 no hydrogen 2.987 N/A PHE 301.A N LEU 159.A O no hydrogen 2.846 N/A HIS 302.A N HIS 265.A O no hydrogen 2.813 N/A ALA 303.A N ASN 161.A O no hydrogen 2.924 N/A THR 304.A N VAL 263.A O no hydrogen 2.824 N/A PHE 306.A N VAL 261.A O no hydrogen 2.835 N/A GLU 307.A N PHE 164.A O no hydrogen 2.929 N/A TRP 308.A N GLY 259.A O no hydrogen 2.798 N/A THR 310.A N ASP 309.A OD1 no hydrogen 2.756 N/A THR 310.A OG1 ASP 309.A OD1 no hydrogen 3.483 N/A ASN 313.A N TRP 168.A O no hydrogen 2.773 N/A LYS 318.A N ALA 251.A O no hydrogen 3.057 N/A PHE 320.A N ALA 253.A O no hydrogen 2.831 N/A ALA 322.A N SER 255.A O no hydrogen 2.871 N/A ASP 323.A N TYR 321.A O no hydrogen 2.960 N/A HIS 324.A ND1 ASP 323.A OD1 no hydrogen 3.023 N/A HIS 324.A NE2 PRO 224.A O no hydrogen 2.888 N/A PHE 326.A N LEU 344.A O no hydrogen 3.211 N/A ILE 327.A N LEU 223.A O no hydrogen 2.814 N/A PHE 328.A N GLY 342.A O no hydrogen 2.728 N/A LEU 329.A N ILE 221.A O no hydrogen 2.830 N/A VAL 330.A N PHE 340.A O no hydrogen 2.875 N/A ARG 331.A N SER 219.A O no hydrogen 2.965 N/A ASP 332.A N SER 337.A O no hydrogen 2.782 N/A THR 333.A N LEU 217.A O no hydrogen 2.975 N/A THR 333.A OG1 LYS 216.A O no hydrogen 3.150 N/A SER 335.A N ASP 332.A OD2 no hydrogen 3.072 N/A SER 335.A OG ASP 332.A OD2 no hydrogen 2.873 N/A GLY 336.A N ASP 332.A O no hydrogen 2.844 N/A SER 337.A N SER 335.A OG no hydrogen 3.311 N/A LEU 339.A N VAL 330.A O no hydrogen 2.707 N/A PHE 340.A N VAL 330.A O no hydrogen 3.137 N/A ILE 341.A N LEU 33.A O no hydrogen 2.878 N/A GLY 342.A N PHE 328.A O no hydrogen 2.928 N/A ARG 343.A N ILE 31.A O no hydrogen 2.817 N/A ARG 343.A NE GLU 29.A O no hydrogen 2.760 N/A ARG 343.A NH1 GLU 234.A OE2 no hydrogen 2.799 N/A ARG 343.A NH2 GLU 29.A O no hydrogen 2.917 N/A LEU 344.A N PHE 326.A O no hydrogen 2.975 N/A VAL 345.A N ASN 30.A OD1 no hydrogen 2.641 N/A ARG 346.A N ASN 30.A OD1 no hydrogen 2.934 N/A ARG 346.A NE GLU 29.A OE2 no hydrogen 2.784 N/A LYS 348.A NZ VAL 260.A O no hydrogen 2.887 N/A LYS 348.A NZ GLU 262.A OE2 no hydrogen 2.730 N/A