Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3m5u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N GLY 307.A O no hydrogen 2.781 N/A PHE 5.A N ILE 308.A O no hydrogen 2.775 N/A SER 6.A N ASN 4.A OD1 no hydrogen 2.884 N/A SER 6.A OG ASN 4.A OD1 no hydrogen 2.547 N/A SER 10.A OG GLN 186.A O no hydrogen 2.908 N/A SER 10.A OG LYS 187.A O no hydrogen 2.741 N/A ILE 16.A N PRO 13.A O no hydrogen 3.107 N/A LEU 17.A N PRO 13.A O no hydrogen 3.218 N/A GLU 18.A N LEU 14.A O no hydrogen 2.750 N/A GLN 19.A N GLU 15.A O no hydrogen 3.056 N/A ALA 20.A N ILE 16.A O no hydrogen 3.068 N/A GLN 21.A N LEU 17.A O no hydrogen 2.849 N/A LYS 22.A N GLU 18.A O no hydrogen 2.951 N/A LEU 24.A N GLN 21.A O no hydrogen 3.059 N/A ASP 26.A N GLU 23.A O no hydrogen 3.346 N/A TYR 27.A N TYR 32.A O no hydrogen 2.774 N/A GLN 28.A N GLU 23.A OE2 no hydrogen 3.330 N/A GLY 29.A N ASP 26.A O no hydrogen 3.319 N/A ARG 30.A N TYR 27.A O no hydrogen 2.877 N/A ARG 30.A NE GLN 28.A OE1 no hydrogen 3.026 N/A ARG 30.A NH2 GLN 28.A OE1 no hydrogen 3.357 N/A GLY 31.A N ASP 26.A OD1 no hydrogen 2.745 N/A SER 33.A N GLU 35.A OE1 no hydrogen 2.635 N/A SER 33.A OG LEU 24.A O no hydrogen 2.572 N/A ARG 39.A N SER 37.A OG no hydrogen 3.335 N/A ARG 39.A NE HIS 38.A NE2 no hydrogen 3.086 N/A THR 40.A OG1 SER 37.A O no hydrogen 2.800 N/A PHE 43.A N THR 40.A OG1 no hydrogen 3.175 N/A GLU 44.A N THR 40.A O no hydrogen 3.073 N/A GLU 45.A N LYS 41.A O no hydrogen 3.023 N/A HIS 47.A N PHE 43.A O no hydrogen 2.781 N/A HIS 47.A NE2 GLN 223.A O no hydrogen 2.807 N/A PHE 48.A N GLU 44.A O no hydrogen 2.706 N/A GLY 49.A N GLU 45.A O no hydrogen 2.918 N/A ALA 50.A N VAL 46.A O no hydrogen 3.063 N/A GLN 51.A N HIS 47.A O no hydrogen 3.373 N/A GLU 52.A N PHE 48.A O no hydrogen 3.204 N/A LYS 53.A N GLY 49.A O no hydrogen 2.901 N/A LYS 53.A NZ ASN 237.A OD1 no hydrogen 2.818 N/A LYS 53.A NZ ASP 240.A OD1 no hydrogen 2.816 N/A ALA 54.A N ALA 50.A O no hydrogen 3.028 N/A LYS 55.A N GLN 51.A O no hydrogen 3.222 N/A LYS 55.A NZ TYR 64.A O no hydrogen 2.929 N/A LYS 56.A N GLU 52.A O no hydrogen 2.896 N/A LEU 57.A N LYS 53.A O no hydrogen 2.871 N/A TYR 58.A N ALA 54.A O no hydrogen 3.256 N/A GLU 59.A N LYS 56.A O no hydrogen 3.110 N/A LEU 60.A N LYS 55.A O no hydrogen 2.888 N/A ASP 63.A N ASN 61.A OD1 no hydrogen 2.751 N/A TYR 64.A N ASN 61.A O no hydrogen 3.309 N/A TYR 64.A OH ILE 178.A O no hydrogen 2.596 N/A GLU 65.A N ILE 199.A O no hydrogen 2.867 N/A LEU 67.A N ILE 197.A O no hydrogen 2.792 N/A PHE 68.A N SER 224.A OG no hydrogen 2.836 N/A LEU 69.A N SER 195.A O no hydrogen 3.117 N/A GLN 70.A NE2 THR 228.A O no hydrogen 3.045 N/A LEU 75.A N GLY 71.A O no hydrogen 3.366 N/A LEU 75.A N GLY 72.A O no hydrogen 3.304 N/A PHE 77.A N ALA 73.A O no hydrogen 3.315 N/A ALA 78.A N LEU 75.A O no hydrogen 2.969 N/A ASN 81.A ND2 LEU 214.A O no hydrogen 2.840 N/A LEU 82.A N ILE 79.A O no hydrogen 2.857 N/A ALA 83.A N PRO 80.A O no hydrogen 3.179 N/A LEU 84.A N ASP 135.A OD2 no hydrogen 2.876 N/A GLY 86.A N ASP 135.A OD2 no hydrogen 2.633 N/A CYS 88.A N ASN 110.A O no hydrogen 2.866 N/A GLU 89.A N TYR 136.A O no hydrogen 2.995 N/A TYR 90.A N LYS 112.A O no hydrogen 2.805 N/A TYR 90.A OH TYR 136.A OH no hydrogen 2.693 N/A ALA 91.A N TYR 138.A O no hydrogen 3.006 N/A ASN 92.A N ALA 115.A O no hydrogen 2.879 N/A ASN 92.A ND2 THR 97.A OG1 no hydrogen 2.656 N/A THR 93.A N THR 97.A OG1 no hydrogen 2.719 N/A THR 93.A OG1 ASN 143.A OD1 no hydrogen 2.567 N/A GLY 94.A N THR 97.A OG1 no hydrogen 3.252 N/A THR 97.A OG1 GLY 94.A O no hydrogen 3.273 N/A LYS 98.A N GLY 94.A O no hydrogen 3.096 N/A LYS 99.A N VAL 95.A O no hydrogen 3.078 N/A ALA 100.A N TRP 96.A O.A no hydrogen 3.135 N/A ALA 100.A N TRP 96.A O.B no hydrogen 3.117 N/A ILE 101.A N THR 97.A O no hydrogen 2.842 N/A LYS 102.A N LYS 98.A O no hydrogen 3.037 N/A GLU 103.A N LYS 99.A O no hydrogen 3.078 N/A ALA 104.A N ALA 100.A O no hydrogen 3.156 N/A GLN 105.A N ILE 101.A O no hydrogen 3.043 N/A ILE 106.A N LYS 102.A O no hydrogen 2.839 N/A LEU 107.A N GLU 103.A O no hydrogen 3.015 N/A GLY 108.A N GLN 105.A O no hydrogen 2.809 N/A VAL 109.A N ALA 104.A O no hydrogen 2.916 N/A LYS 112.A N CYS 88.A O no hydrogen 2.924 N/A VAL 114.A N TYR 90.A O no hydrogen 2.963 N/A SER 117.A N ASN 92.A O no hydrogen 3.084 N/A SER 117.A OG HIS 124.A O no hydrogen 2.763 N/A GLU 118.A N SER 116.A OG no hydrogen 3.187 N/A SER 120.A OG ASP 123.A OD1 no hydrogen 2.411 N/A ASN 121.A N GLU 118.A O no hydrogen 2.790 N/A PHE 122.A N SER 117.A O no hydrogen 2.627 N/A HIS 124.A ND1 ASP 123.A OD1 no hydrogen 3.074 N/A ILE 125.A N ASP 280.A OD2 no hydrogen 2.891 N/A ARG 127.A NH1 GLU 129.A OE2 no hydrogen 3.355 N/A SER 131.A N GLU 89.A OE1 no hydrogen 2.792 N/A SER 131.A OG GLU 89.A OE2 no hydrogen 2.967 N/A ASN 133.A N SER 131.A OG no hydrogen 3.375 N/A ALA 134.A N THR 158.A OG1 no hydrogen 3.095 N/A ASP 135.A N VAL 87.A O no hydrogen 2.843 N/A TYR 136.A OH TYR 90.A OH no hydrogen 2.693 N/A ALA 137.A N PRO 159.A O no hydrogen 2.820 N/A TYR 138.A N GLU 89.A O no hydrogen 2.832 N/A TYR 138.A OH TYR 182.A OH no hydrogen 2.954 N/A ILE 139.A N ILE 161.A O no hydrogen 2.923 N/A CYS 140.A SG ASN 142.A O no hydrogen 3.212 N/A CYS 140.A SG ASN 143.A OD1 no hydrogen 3.695 N/A CYS 140.A SG ASP 163.A O no hydrogen 3.889 N/A SER 141.A N ASP 163.A O no hydrogen 2.823 N/A SER 141.A OG TYR 153.A OH no hydrogen 2.777 N/A SER 141.A OG ASP 167.A OD1 no hydrogen 3.286 N/A SER 141.A OG ASP 167.A OD2 no hydrogen 2.498 N/A ASN 142.A ND2 SER 282.A OG no hydrogen 2.460 N/A ASN 143.A N THR 148.A O no hydrogen 2.796 N/A ASN 143.A ND2 THR 148.A O no hydrogen 3.479 N/A ASN 143.A ND2 THR 148.A OG1 no hydrogen 2.865 N/A THR 144.A OG1 SER 166.A OG no hydrogen 2.914 N/A GLY 147.A N ASN 143.A O no hydrogen 2.824 N/A GLN 149.A N ASP 280.A O no hydrogen 2.888 N/A GLN 149.A NE2 ASP 167.A OD2 no hydrogen 2.949 N/A TYR 150.A N SER 141.A O no hydrogen 2.895 N/A TYR 153.A OH SER 141.A OG no hydrogen 2.777 N/A THR 156.A OG1 SER 131.A O no hydrogen 3.289 N/A LYS 157.A N ASP 132.A OD1 no hydrogen 3.300 N/A THR 158.A N THR 156.A OG1 no hydrogen 2.873 N/A THR 158.A OG1 SER 131.A O no hydrogen 2.604 N/A LEU 160.A N ASN 177.A O no hydrogen 3.118 N/A ILE 161.A N ALA 137.A O no hydrogen 2.630 N/A VAL 162.A N LEU 180.A O no hydrogen 2.878 N/A ASP 163.A N ILE 139.A O no hydrogen 2.931 N/A ALA 164.A N TYR 182.A O no hydrogen 2.668 N/A SER 165.A N ASP 163.A OD1 no hydrogen 3.067 N/A SER 165.A OG ASP 163.A OD1 no hydrogen 2.615 N/A SER 166.A OG ASN 142.A OD1 no hydrogen 2.786 N/A SER 166.A OG THR 144.A OG1 no hydrogen 2.914 N/A ASP 167.A N ALA 164.A O no hydrogen 3.105 N/A PHE 169.A N TYR 58.A OH no hydrogen 2.721 N/A SER 170.A N ASP 167.A O no hydrogen 3.006 N/A SER 170.A OG ASP 167.A O no hydrogen 2.558 N/A ARG 171.A NH1 TYR 150.A O no hydrogen 3.071 N/A ARG 171.A NH2 SER 141.A OG no hydrogen 3.319 N/A ARG 171.A NH2 TYR 150.A O no hydrogen 3.144 N/A ARG 171.A NH2 ASP 167.A OD2 no hydrogen 3.165 N/A LYS 172.A NZ GLU 59.A OE2 no hydrogen 3.125 N/A LYS 172.A NZ ASP 249.A OD2 no hydrogen 3.454 N/A SER 176.A N ASP 174.A OD1 no hydrogen 2.967 N/A SER 176.A OG ASP 174.A OD1 no hydrogen 2.962 N/A ILE 178.A N PHE 175.A O no hydrogen 2.876 N/A ALA 179.A N LEU 160.A O no hydrogen 2.762 N/A LEU 180.A N LEU 160.A O no hydrogen 3.317 N/A PHE 181.A N PHE 198.A O no hydrogen 3.004 N/A TYR 182.A N VAL 162.A O no hydrogen 2.987 N/A TYR 182.A OH TYR 138.A OH no hydrogen 2.954 N/A GLY 183.A N CYS 196.A O no hydrogen 3.062 N/A GLY 184.A N SER 165.A OG no hydrogen 3.217 N/A VAL 185.A N LEU 194.A O no hydrogen 3.067 N/A GLN 186.A N GLN 186.A OE1 no hydrogen 2.788 N/A ASN 188.A ND2 PHE 168.A O no hydrogen 2.881 N/A ALA 189.A N VAL 185.A O no hydrogen 2.742 N/A SER 195.A N LEU 69.A O no hydrogen 2.795 N/A SER 195.A OG LEU 69.A O no hydrogen 3.429 N/A CYS 196.A N GLY 183.A O no hydrogen 2.950 N/A ILE 197.A N LEU 67.A O no hydrogen 2.896 N/A PHE 198.A N PHE 181.A O no hydrogen 2.838 N/A ILE 199.A N GLU 65.A O no hydrogen 2.907 N/A ARG 200.A N ALA 179.A O no hydrogen 2.940 N/A ARG 200.A NE ASP 202.A OD1 no hydrogen 2.883 N/A ARG 200.A NH1 ASP 202.A OD2 no hydrogen 2.882 N/A LYS 201.A N ASP 63.A O no hydrogen 2.832 N/A LYS 201.A NZ ASP 62.A O no hydrogen 2.781 N/A LYS 201.A NZ GLU 65.A OE2 no hydrogen 3.202 N/A GLU 204.A N LYS 201.A O no hydrogen 3.181 N/A ARG 205.A NH1 LEU 82.A O no hydrogen 2.602 N/A ARG 205.A NH1 ASP 135.A O no hydrogen 2.921 N/A ARG 205.A NH2 ASP 135.A O no hydrogen 3.317 N/A SER 206.A N LEU 203.A O no hydrogen 2.851 N/A SER 206.A OG ASN 81.A OD1 no hydrogen 2.953 N/A LYS 207.A N LEU 203.A O no hydrogen 3.095 N/A LYS 209.A N SER 206.A O no hydrogen 2.880 N/A LYS 209.A NZ ALA 83.A O no hydrogen 2.984 N/A ASN 215.A N SER 213.A O no hydrogen 2.928 N/A ASN 215.A ND2 SER 206.A O no hydrogen 3.576 N/A TYR 216.A N ASN 81.A OD1 no hydrogen 2.931 N/A THR 218.A N ASN 215.A OD1 no hydrogen 3.392 N/A HIS 219.A N ASN 215.A O no hydrogen 3.291 N/A ALA 220.A N TYR 216.A O no hydrogen 2.829 N/A GLU 221.A N LEU 217.A O no hydrogen 2.897 N/A ASN 222.A N THR 218.A O no hydrogen 3.284 N/A GLN 223.A N ALA 220.A O no hydrogen 2.834 N/A SER 224.A N HIS 219.A O no hydrogen 2.666 N/A LEU 225.A N ASN 222.A O no hydrogen 3.059 N/A ILE 234.A N PRO 230.A O no hydrogen 2.986 N/A TYR 235.A N THR 231.A O no hydrogen 2.900 N/A TYR 235.A OH GLU 23.A OE1 no hydrogen 2.635 N/A ASN 237.A N ILE 234.A O no hydrogen 2.928 N/A LEU 238.A N TYR 235.A O no hydrogen 3.188 N/A TRP 241.A N LEU 238.A O no hydrogen 2.951 N/A LEU 242.A N GLU 239.A O no hydrogen 2.779 N/A ASN 244.A N ASP 240.A O no hydrogen 2.731 N/A GLN 245.A N LEU 242.A O no hydrogen 3.289 N/A GLN 245.A NE2 TRP 241.A O no hydrogen 3.229 N/A GLY 246.A N LEU 243.A O no hydrogen 3.024 N/A GLY 247.A N LEU 242.A O no hydrogen 3.229 N/A VAL 251.A N GLY 247.A O no hydrogen 3.130 N/A HIS 252.A N LEU 248.A O no hydrogen 2.849 N/A GLU 253.A N ASP 249.A O no hydrogen 2.980 N/A LYS 254.A N LYS 250.A O no hydrogen 3.119 N/A LYS 254.A NZ GLN 245.A OE1 no hydrogen 2.918 N/A ASN 255.A N VAL 251.A O no hydrogen 2.888 N/A ASN 255.A ND2 ASN 325.A OD1 no hydrogen 2.923 N/A SER 256.A N HIS 252.A O no hydrogen 2.965 N/A SER 256.A OG HIS 252.A O no hydrogen 2.908 N/A GLN 257.A N GLU 253.A O no hydrogen 3.066 N/A LYS 258.A N LYS 254.A O no hydrogen 3.077 N/A LYS 258.A NZ ASN 255.A OD1 no hydrogen 2.886 N/A LYS 258.A NZ ILE 323.A O no hydrogen 3.091 N/A LYS 258.A NZ TYR 324.A O no hydrogen 2.725 N/A LYS 258.A NZ LEU 327.A O no hydrogen 2.793 N/A ALA 259.A N ASN 255.A O no hydrogen 2.876 N/A THR 260.A N SER 256.A O no hydrogen 2.913 N/A THR 260.A OG1 SER 256.A O no hydrogen 2.782 N/A TYR 262.A N ALA 259.A O no hydrogen 2.764 N/A TYR 262.A OH SER 282.A O no hydrogen 2.590 N/A GLU 263.A N THR 260.A O no hydrogen 2.858 N/A CYS 264.A SG CYS 336.A O no hydrogen 3.798 N/A ILE 265.A N LEU 261.A O no hydrogen 3.180 N/A ASP 266.A N TYR 262.A O no hydrogen 2.962 N/A LEU 267.A N GLU 263.A O no hydrogen 2.920 N/A SER 268.A N ILE 265.A O no hydrogen 3.310 N/A SER 268.A OG ILE 265.A O no hydrogen 2.645 N/A SER 268.A OG TYR 272.A O no hydrogen 3.393 N/A PHE 271.A N SER 268.A O no hydrogen 3.006 N/A TYR 272.A N SER 268.A OG no hydrogen 2.989 N/A LYS 273.A N ASN 288.A O no hydrogen 2.853 N/A HIS 275.A N SER 286.A O no hydrogen 3.030 N/A HIS 275.A NE2 ASN 121.A O no hydrogen 3.041 N/A ASP 277.A N ASP 123.A O no hydrogen 2.812 N/A LYS 278.A NZ ASP 266.A OD2 no hydrogen 3.179 N/A ASP 280.A N ASP 277.A O no hydrogen 3.025 N/A ARG 281.A N LYS 278.A O no hydrogen 3.393 N/A ARG 281.A NH1 ASP 266.A OD2 no hydrogen 2.944 N/A ARG 281.A NH2 ASP 266.A OD1 no hydrogen 2.782 N/A SER 282.A N GLY 147.A O no hydrogen 2.924 N/A LEU 283.A N GLN 149.A OE1 no hydrogen 2.933 N/A ASN 284.A ND2 ASN 142.A OD1 no hydrogen 2.788 N/A VAL 285.A N ALA 321.A O no hydrogen 2.863 N/A SER 286.A OG ILE 145.A O no hydrogen 2.889 N/A PHE 287.A N ILE 319.A O no hydrogen 2.832 N/A ASN 288.A N LYS 273.A O no hydrogen 2.798 N/A ILE 289.A N GLU 296.A OE2 no hydrogen 3.075 N/A ALA 290.A N PHE 271.A O no hydrogen 3.028 N/A ASN 292.A N ILE 289.A O no hydrogen 3.289 N/A LYS 293.A NZ ALA 290.A O no hydrogen 3.341 N/A LEU 295.A N ASN 292.A O no hydrogen 3.045 N/A GLU 296.A N LYS 293.A O no hydrogen 2.744 N/A PHE 299.A N LEU 295.A O no hydrogen 2.780 N/A VAL 300.A N GLU 296.A O no hydrogen 3.015 N/A LYS 301.A N PRO 297.A O no hydrogen 3.118 N/A LYS 301.A NZ GLU 305.A OE1 no hydrogen 3.041 N/A LYS 301.A NZ GLU 305.A OE2 no hydrogen 3.419 N/A GLU 302.A N LEU 298.A O.A no hydrogen 2.969 N/A GLU 302.A N LEU 298.A O.B no hydrogen 2.958 N/A ALA 303.A N PHE 299.A O no hydrogen 2.887 N/A GLU 304.A N VAL 300.A O no hydrogen 3.002 N/A GLU 305.A N LYS 301.A O no hydrogen 2.910 N/A ALA 306.A N GLU 302.A O no hydrogen 2.970 N/A ALA 306.A N ALA 303.A O no hydrogen 3.049 N/A GLY 307.A N GLU 304.A O no hydrogen 2.802 N/A GLY 312.A N GLY 318.A O no hydrogen 2.959 N/A ILE 315.A N HIS 313.A ND1 no hydrogen 2.766 N/A LEU 316.A N HIS 313.A O no hydrogen 2.837 N/A GLY 317.A N HIS 313.A O no hydrogen 2.660 N/A ILE 319.A N PHE 287.A O no hydrogen 2.620 N/A ARG 320.A N LEU 310.A O no hydrogen 2.807 N/A ARG 320.A NH1 THR 144.A O no hydrogen 2.872 N/A ALA 321.A N VAL 285.A O no hydrogen 2.793 N/A SER 322.A N PHE 5.A O no hydrogen 3.325 N/A SER 322.A OG ASN 284.A OD1 no hydrogen 2.878 N/A TYR 324.A OH ALA 7.A O no hydrogen 2.854 N/A ASN 325.A N ASN 188.A OD1 no hydrogen 3.058 N/A ASN 325.A ND2 PHE 169.A O no hydrogen 3.016 N/A LEU 327.A N TYR 324.A O no hydrogen 2.890 N/A ASN 328.A N GLN 331.A OE1 no hydrogen 2.902 N/A GLN 331.A N ASN 328.A O no hydrogen 2.995 N/A GLN 331.A N ASN 328.A OD1 no hydrogen 2.934 N/A VAL 332.A N ASN 328.A O no hydrogen 3.239 N/A LYS 333.A N LEU 329.A O no hydrogen 2.915 N/A LYS 333.A NZ GLU 337.A OE2 no hydrogen 2.815 N/A THR 334.A N ASP 330.A O no hydrogen 3.054 N/A THR 334.A OG1 ASP 330.A O no hydrogen 3.207 N/A LEU 335.A N GLN 331.A O no hydrogen 3.124 N/A CYS 336.A N VAL 332.A O no hydrogen 2.934 N/A CYS 336.A SG VAL 332.A O no hydrogen 3.404 N/A GLU 337.A N LYS 333.A O no hydrogen 2.852 N/A PHE 338.A N THR 334.A O no hydrogen 3.029 N/A GLU 340.A N GLU 337.A O no hydrogen 3.036 N/A PHE 341.A N PHE 338.A O no hydrogen 2.888 N/A GLN 342.A NE2 SER 268.A O no hydrogen 2.942 N/A GLY 343.A N LYS 339.A O no hydrogen 2.932 N/A LYS 344.A N GLU 340.A O no hydrogen 3.036 N/A LYS 344.A N PHE 341.A O no hydrogen 3.081 N/A TYR 345.A N PHE 341.A O no hydrogen 2.799 N/A TYR 345.A OH GLU 302.A OE2 no hydrogen 2.571 N/A ALA 346.A N GLN 342.A O no hydrogen 2.912 N/A