Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5bwu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG PHE 3.A O no hydrogen 2.805 N/A ALA 5.A N GLU 112.A OE1 no hydrogen 2.844 N/A ASP 7.A N LYS 4.A O no hydrogen 3.173 N/A LEU 8.A N ALA 5.A O no hydrogen 3.084 N/A GLN 9.A N PRO 47.A O no hydrogen 3.043 N/A GLN 9.A NE2 GLN 46.A OE1 no hydrogen 2.608 N/A GLU 11.A N ILE 49.A O no hydrogen 2.818 N/A THR 13.A N HIS 33.A NE2 no hydrogen 3.169 N/A LYS 15.A N THR 13.A OG1 no hydrogen 3.275 N/A HIS 17.A N ASP 32.A OD1 no hydrogen 2.686 N/A HIS 17.A ND1 LYS 18.A O no hydrogen 2.989 N/A LYS 28.A N VAL 25.A O no hydrogen 3.408 N/A THR 31.A N LEU 163.A O no hydrogen 3.033 N/A THR 31.A OG1 HIS 33.A O no hydrogen 3.467 N/A THR 31.A OG1 ASP 124.A OD2 no hydrogen 2.729 N/A HIS 33.A N ASP 124.A OD2 no hydrogen 2.961 N/A HIS 33.A ND1 ASP 124.A OD1 no hydrogen 2.741 N/A MET 34.A N GLN 50.A O no hydrogen 2.875 N/A LEU 35.A N VAL 161.A O no hydrogen 3.076 N/A MET 36.A N ARG 48.A O no hydrogen 2.848 N/A VAL 37.A N LEU 159.A O no hydrogen 2.814 N/A TRP 39.A N ALA 157.A O no hydrogen 2.896 N/A ASN 40.A N GLY 43.A O no hydrogen 3.063 N/A LYS 42.A N ASN 40.A OD1 no hydrogen 2.669 N/A GLY 43.A N ASN 40.A O no hydrogen 2.924 N/A TRP 44.A NE1 SER 107.A O no hydrogen 2.774 N/A GLY 45.A N GLU 38.A O no hydrogen 2.820 N/A ARG 48.A N MET 36.A O no hydrogen 2.851 N/A ARG 48.A NE GLN 50.A OE1 no hydrogen 3.069 N/A ARG 48.A NH1 GLN 9.A OE1 no hydrogen 2.817 N/A ARG 48.A NH2 GLU 11.A OE1 no hydrogen 2.900 N/A ILE 49.A N GLN 9.A O no hydrogen 2.926 N/A GLN 50.A N MET 34.A O no hydrogen 2.939 N/A PHE 52.A N ASP 32.A O no hydrogen 2.858 N/A GLN 53.A NE2 PRO 51.A O no hydrogen 2.785 N/A ALA 60.A N HIS 58.A ND1 no hydrogen 3.088 N/A SER 61.A N HIS 58.A O no hydrogen 2.927 N/A SER 61.A OG SER 63.A OG no hydrogen 2.711 N/A SER 61.A OG ASN 145.A OD1 no hydrogen 2.822 N/A SER 62.A N GLU 146.A O no hydrogen 2.863 N/A SER 63.A OG SER 61.A OG no hydrogen 2.711 N/A LEU 64.A N SER 61.A O no hydrogen 2.933 N/A HIS 65.A NE2 PRO 59.A O no hydrogen 2.664 N/A TYR 66.A N SER 62.A O no hydrogen 3.131 N/A TYR 66.A OH LEU 149.A O no hydrogen 2.440 N/A LEU 68.A N SER 62.A O no hydrogen 3.477 N/A GLN 69.A NE2 SER 63.A O no hydrogen 2.938 N/A LEU 70.A N LEU 142.A O no hydrogen 2.950 N/A PHE 71.A N LYS 191.A O no hydrogen 3.163 N/A GLU 72.A N PRO 140.A O no hydrogen 2.816 N/A GLY 73.A N GLU 72.A OE1 no hydrogen 3.215 N/A MET 74.A N VAL 138.A O no hydrogen 3.100 N/A LYS 75.A NZ THR 302.A O no hydrogen 2.862 N/A LYS 75.A NZ ALA 303.A O no hydrogen 3.382 N/A ALA 76.A N LEU 136.A O no hydrogen 2.741 N/A PHE 77.A N ARG 85.A O no hydrogen 2.728 N/A LYS 78.A NZ GLN 82.A OE1 no hydrogen 3.087 N/A LYS 78.A NZ VAL 128.A O no hydrogen 3.413 N/A GLY 79.A N GLN 83.A O no hydrogen 2.868 N/A LYS 80.A NZ ASP 130.A O no hydrogen 3.378 N/A GLN 82.A N GLY 79.A O no hydrogen 2.866 N/A GLN 82.A NE2 LYS 80.A O no hydrogen 3.215 N/A GLN 82.A NE2 ASP 130.A OD2 no hydrogen 2.915 N/A GLN 83.A N ASP 81.A OD1 no hydrogen 3.361 N/A GLN 83.A NE2 VAL 84.A O no hydrogen 3.147 N/A GLN 83.A NE2 VAL 354.A OXT no hydrogen 3.366 N/A ARG 85.A N PHE 77.A O no hydrogen 2.805 N/A LEU 86.A N PHE 352.A O no hydrogen 2.885 N/A PHE 87.A N LYS 75.A O no hydrogen 3.167 N/A ARG 88.A N TRP 350.A O no hydrogen 2.951 N/A ARG 88.A NH1 SER 262.A OG no hydrogen 2.976 N/A ARG 88.A NH1 ASP 265.A OD2 no hydrogen 3.145 N/A LEU 91.A N ARG 88.A O no hydrogen 3.007 N/A ASN 92.A ND2 GLU 72.A OE1 no hydrogen 2.968 N/A MET 93.A N PRO 89.A O no hydrogen 3.056 N/A ASP 94.A N TRP 90.A O no hydrogen 2.956 N/A ARG 95.A N LEU 91.A O no hydrogen 2.907 N/A ARG 95.A NE GLU 72.A OE2 no hydrogen 2.831 N/A ARG 95.A NH1 PRO 256.A O no hydrogen 3.084 N/A ARG 95.A NH2 GLU 72.A OE1 no hydrogen 2.674 N/A MET 96.A N ASN 92.A O no hydrogen 2.764 N/A LEU 97.A N MET 93.A O no hydrogen 3.106 N/A ARG 98.A N ASP 94.A O no hydrogen 3.126 N/A SER 99.A N ARG 95.A O no hydrogen 3.042 N/A SER 99.A OG ARG 95.A O no hydrogen 3.244 N/A ALA 100.A N MET 96.A O no hydrogen 2.965 N/A MET 101.A N LEU 97.A O no hydrogen 2.982 N/A ARG 102.A N ARG 98.A O no hydrogen 2.977 N/A ARG 102.A NH1 ARG 102.A O no hydrogen 2.911 N/A LEU 103.A N SER 99.A O no hydrogen 3.178 N/A LEU 103.A N ALA 100.A O no hydrogen 3.284 N/A CYS 104.A N MET 101.A O no hydrogen 3.364 N/A LEU 105.A N ALA 100.A O no hydrogen 2.875 N/A ASP 109.A N SER 2.A OG no hydrogen 2.978 N/A LYS 110.A NZ ASP 94.A OD1 no hydrogen 2.625 N/A GLU 112.A N ASP 109.A OD1 no hydrogen 2.946 N/A LEU 113.A N ASP 109.A O no hydrogen 3.030 N/A LEU 114.A N LYS 110.A O no hydrogen 3.023 N/A GLU 115.A N LEU 111.A O no hydrogen 3.109 N/A CYS 116.A N GLU 112.A O no hydrogen 2.980 N/A CYS 116.A SG GLU 112.A O no hydrogen 3.523 N/A ILE 117.A N LEU 113.A O no hydrogen 2.764 N/A ARG 118.A N LEU 114.A O no hydrogen 2.668 N/A ARG 118.A NE GLU 115.A OE1 no hydrogen 2.852 N/A ARG 118.A NH1 GLU 122.A OE2 no hydrogen 3.354 N/A ARG 118.A NH1 VAL 354.A O no hydrogen 2.886 N/A ARG 118.A NH2 GLU 115.A OE2 no hydrogen 2.851 N/A ARG 119.A N GLU 115.A O no hydrogen 2.830 N/A LEU 120.A N CYS 116.A O no hydrogen 2.898 N/A ILE 121.A N ILE 117.A O no hydrogen 2.880 N/A GLU 122.A N ARG 118.A O no hydrogen 2.852 N/A VAL 123.A N ARG 119.A O no hydrogen 2.992 N/A ASP 124.A N LEU 120.A O no hydrogen 3.216 N/A LYS 125.A N GLU 122.A O no hydrogen 3.182 N/A TRP 127.A N ASP 124.A O no hydrogen 2.856 N/A TRP 127.A NE1 ASP 32.A OD2 no hydrogen 3.028 N/A VAL 128.A N LYS 125.A O no hydrogen 3.146 N/A THR 134.A N ALA 131.A O no hydrogen 3.108 N/A THR 134.A OG1 ALA 131.A O no hydrogen 2.755 N/A SER 135.A N VAL 166.A O no hydrogen 3.071 N/A LEU 136.A N ALA 76.A O no hydrogen 2.833 N/A TYR 137.A N CYS 164.A O no hydrogen 2.788 N/A VAL 138.A N MET 74.A O no hydrogen 2.699 N/A ARG 139.A N ILE 162.A O no hydrogen 2.940 N/A ARG 139.A NE GLU 72.A O no hydrogen 2.769 N/A ARG 139.A NH2 TYR 137.A OH no hydrogen 2.875 N/A VAL 141.A N PHE 160.A O no hydrogen 2.720 N/A LEU 142.A N LEU 70.A O no hydrogen 3.075 N/A ILE 143.A N LEU 158.A O no hydrogen 2.967 N/A GLY 144.A N LEU 68.A O no hydrogen 2.782 N/A ASN 145.A N ARG 156.A O no hydrogen 2.850 N/A GLU 146.A N SER 62.A OG no hydrogen 3.314 N/A GLY 150.A N SER 148.A OG no hydrogen 3.365 N/A SER 152.A OG GLY 150.A O no hydrogen 3.229 N/A THR 155.A N GLU 146.A OE1 no hydrogen 3.031 N/A THR 155.A OG1 GLU 146.A OE1 no hydrogen 2.343 N/A THR 155.A OG1 GLU 146.A OE2 no hydrogen 3.427 N/A ALA 157.A N TRP 39.A O no hydrogen 3.031 N/A LEU 158.A N ILE 143.A O no hydrogen 2.881 N/A LEU 159.A N VAL 37.A O no hydrogen 2.824 N/A PHE 160.A N VAL 141.A O no hydrogen 2.876 N/A VAL 161.A N LEU 35.A O no hydrogen 3.130 N/A ILE 162.A N ARG 139.A O no hydrogen 3.138 N/A CYS 164.A N TYR 137.A O no hydrogen 2.926 N/A VAL 166.A N SER 135.A O no hydrogen 2.797 N/A VAL 171.A N PRO 308.A O no hydrogen 2.990 N/A SER 172.A N GLU 212.A OE1 no hydrogen 2.837 N/A SER 172.A OG GLU 212.A OE1 no hydrogen 3.289 N/A LEU 173.A N ARG 311.A O no hydrogen 2.816 N/A LEU 174.A N GLN 213.A O no hydrogen 3.028 N/A ALA 175.A N LEU 313.A O no hydrogen 2.814 N/A ALA 178.A N ASP 176.A OD1 no hydrogen 2.945 N/A PHE 179.A N ASP 176.A O no hydrogen 3.059 N/A ARG 181.A NH2 GLY 188.A O no hydrogen 3.014 N/A ARG 181.A NH2 VAL 253.A O no hydrogen 3.024 N/A VAL 184.A N TYR 218.A OH no hydrogen 2.996 N/A GLY 186.A N TRP 183.A O no hydrogen 2.759 N/A ASN 189.A N ASN 189.A OD1 no hydrogen 2.657 N/A TYR 190.A N VAL 187.A O no hydrogen 3.099 N/A LEU 192.A N TYR 190.A O no hydrogen 3.029 N/A GLY 193.A N GLN 69.A O no hydrogen 3.354 N/A ASN 195.A N LEU 192.A O no hydrogen 3.074 N/A ASN 195.A ND2 VAL 187.A O no hydrogen 2.904 N/A TYR 196.A N GLY 193.A O no hydrogen 2.999 N/A THR 199.A N TYR 196.A O no hydrogen 2.903 N/A THR 199.A OG1 TYR 196.A O no hydrogen 2.624 N/A VAL 200.A N GLY 197.A O no hydrogen 3.171 N/A GLN 203.A N THR 199.A O no hydrogen 2.804 N/A GLN 203.A NE2 GLU 212.A O no hydrogen 2.906 N/A GLN 204.A N VAL 200.A O no hydrogen 3.078 N/A GLU 205.A N LEU 201.A O no hydrogen 3.075 N/A ALA 206.A N VAL 202.A O no hydrogen 3.044 N/A LEU 207.A N GLN 203.A O no hydrogen 3.132 N/A LYS 208.A N GLN 204.A O no hydrogen 2.972 N/A ARG 209.A N GLU 205.A O no hydrogen 2.917 N/A ARG 209.A NE GLU 205.A OE2 no hydrogen 3.276 N/A ARG 209.A NH1 ASP 176.A OD2 no hydrogen 2.940 N/A ARG 209.A NH2 GLU 205.A OE2 no hydrogen 3.417 N/A GLY 210.A N LEU 207.A O no hydrogen 2.757 N/A CYS 211.A N ALA 206.A O no hydrogen 2.719 N/A CYS 211.A SG ARG 209.A O no hydrogen 4.043 N/A GLU 212.A N SER 172.A O no hydrogen 3.068 N/A GLU 212.A N SER 172.A OG no hydrogen 3.187 N/A GLN 213.A N SER 172.A O no hydrogen 3.150 N/A LEU 215.A N LEU 174.A O no hydrogen 2.880 N/A TRP 216.A N GLU 226.A O no hydrogen 2.862 N/A TYR 218.A N GLN 223.A O no hydrogen 3.003 N/A HIS 222.A N GLY 219.A O no hydrogen 2.947 N/A HIS 222.A ND1 TYR 314.A OH no hydrogen 2.667 N/A GLN 223.A N TYR 218.A O no hydrogen 2.831 N/A GLN 223.A NE2 ASP 221.A OD1 no hydrogen 2.852 N/A GLN 223.A NE2 ASP 221.A OD2 no hydrogen 3.440 N/A LEU 224.A N ILE 280.A O no hydrogen 2.746 N/A THR 225.A N TRP 216.A O no hydrogen 2.877 N/A THR 225.A OG1 TRP 216.A O no hydrogen 2.567 N/A VAL 227.A N MET 230.A O no hydrogen 2.818 N/A GLY 228.A N VAL 214.A O no hydrogen 2.725 N/A MET 230.A N VAL 227.A O no hydrogen 2.816 N/A ASN 231.A N SER 300.A O no hydrogen 2.887 N/A ASN 231.A ND2 LEU 255.A O no hydrogen 2.881 N/A PHE 233.A N PHE 298.A O no hydrogen 2.871 N/A VAL 234.A N VAL 246.A O no hydrogen 2.916 N/A TYR 235.A N GLU 296.A O no hydrogen 2.741 N/A TRP 236.A N GLU 244.A O no hydrogen 2.968 N/A TRP 236.A NE1 GLU 244.A OE2 no hydrogen 2.910 N/A THR 237.A N ARG 293.A O no hydrogen 2.889 N/A HIS 238.A N VAL 242.A O no hydrogen 2.676 N/A GLY 241.A N HIS 238.A O no hydrogen 2.784 N/A VAL 242.A N ASP 240.A OD1 no hydrogen 3.243 N/A GLU 244.A N TRP 236.A O no hydrogen 2.750 N/A LEU 245.A N ARG 274.A O no hydrogen 2.830 N/A VAL 246.A N VAL 234.A O no hydrogen 2.902 N/A THR 247.A N VAL 276.A O no hydrogen 3.166 N/A THR 247.A OG1 ILE 232.A O no hydrogen 2.575 N/A ASN 251.A N PRO 249.A O no hydrogen 2.962 N/A LEU 255.A N GLU 226.A OE2 no hydrogen 2.700 N/A ARG 260.A NH2 PRO 248.A O no hydrogen 2.964 N/A ARG 260.A NH2 GLU 277.A OE1 no hydrogen 2.833 N/A GLN 261.A N GLY 257.A O no hydrogen 3.163 N/A GLN 261.A NE2 ASP 265.A OD1 no hydrogen 2.942 N/A SER 262.A N VAL 258.A O no hydrogen 2.947 N/A SER 262.A OG VAL 258.A O no hydrogen 2.803 N/A LEU 263.A N VAL 259.A O no hydrogen 2.846 N/A LEU 264.A N ARG 260.A O no hydrogen 3.091 N/A ASP 265.A N GLN 261.A O no hydrogen 2.860 N/A MET 266.A N SER 262.A O no hydrogen 2.894 N/A ALA 267.A N LEU 263.A O no hydrogen 2.934 N/A GLN 268.A N LEU 264.A O no hydrogen 2.846 N/A THR 269.A N ASP 265.A O no hydrogen 3.031 N/A THR 269.A OG1 ASP 265.A O no hydrogen 2.816 N/A TRP 270.A N MET 266.A O no hydrogen 3.109 N/A TRP 270.A NE1 GLU 337.A OE1 no hydrogen 2.874 N/A GLY 271.A N ALA 267.A O no hydrogen 3.371 N/A ARG 274.A N LEU 243.A O no hydrogen 3.127 N/A ARG 274.A NE GLU 244.A OE1 no hydrogen 2.910 N/A ARG 274.A NH1 ASP 240.A OD2 no hydrogen 2.654 N/A ARG 274.A NH2 ASP 240.A OD1 no hydrogen 3.167 N/A ARG 274.A NH2 ASP 240.A OD2 no hydrogen 2.990 N/A ARG 274.A NH2 GLU 244.A OE1 no hydrogen 2.977 N/A VAL 276.A N LEU 245.A O no hydrogen 2.989 N/A ARG 278.A N THR 247.A O no hydrogen 3.080 N/A ARG 278.A NH1 GLU 244.A OE2 no hydrogen 3.060 N/A ARG 278.A NH2 GLU 244.A OE1 no hydrogen 2.770 N/A ARG 278.A NH2 GLU 244.A OE2 no hydrogen 3.152 N/A THR 281.A N GLN 284.A OE1 no hydrogen 3.266 N/A MET 282.A N HIS 222.A O no hydrogen 3.007 N/A GLN 284.A N THR 281.A OG1 no hydrogen 3.053 N/A LEU 285.A N THR 281.A O no hydrogen 3.217 N/A LEU 286.A N MET 282.A O no hydrogen 2.825 N/A ARG 287.A N LYS 283.A O no hydrogen 3.180 N/A ALA 288.A N GLN 284.A O no hydrogen 2.870 N/A LEU 289.A N LEU 285.A O no hydrogen 2.748 N/A GLU 290.A N LEU 286.A O no hydrogen 2.898 N/A GLU 291.A N ARG 287.A O no hydrogen 2.995 N/A GLY 292.A N LEU 289.A O no hydrogen 3.088 N/A ARG 293.A N ALA 288.A O no hydrogen 2.811 N/A ARG 293.A NE GLU 291.A OE1 no hydrogen 2.937 N/A ARG 293.A NH1 THR 237.A O no hydrogen 2.434 N/A ARG 293.A NH2 GLU 291.A OE1 no hydrogen 3.377 N/A ARG 295.A N TYR 235.A O no hydrogen 2.917 N/A GLU 296.A N TYR 235.A O no hydrogen 3.051 N/A VAL 297.A N THR 323.A OG1 no hydrogen 3.087 N/A PHE 298.A N PHE 233.A O no hydrogen 3.072 N/A GLY 299.A N CYS 307.A O no hydrogen 2.884 N/A SER 300.A N ASN 231.A O no hydrogen 2.751 N/A GLY 301.A N GLN 305.A O no hydrogen 2.958 N/A GLN 305.A NE2 THR 302.A O no hydrogen 3.251 N/A CYS 307.A N GLY 299.A O no hydrogen 2.895 N/A CYS 307.A SG THR 169.A O no hydrogen 3.914 N/A CYS 307.A SG PRO 308.A O no hydrogen 3.889 N/A VAL 309.A N VAL 297.A O no hydrogen 2.891 N/A HIS 310.A N VAL 171.A O no hydrogen 3.031 N/A ARG 311.A NH1 ASN 318.A OD1 no hydrogen 2.787 N/A ARG 311.A NH2 GLY 210.A O no hydrogen 2.843 N/A ILE 312.A N LEU 319.A O no hydrogen 2.992 N/A LEU 313.A N LEU 173.A O no hydrogen 2.755 N/A TYR 314.A N ARG 317.A O no hydrogen 2.876 N/A TYR 314.A OH HIS 222.A ND1 no hydrogen 2.667 N/A ARG 317.A N TYR 314.A O no hydrogen 2.989 N/A ARG 317.A NH2 GLU 290.A OE2 no hydrogen 2.682 N/A LEU 319.A N ILE 312.A O no hydrogen 2.935 N/A HIS 320.A NE2 GLU 325.A OE1 no hydrogen 2.981 N/A ILE 321.A N HIS 310.A O no hydrogen 2.854 N/A THR 323.A OG1 VAL 297.A O no hydrogen 3.461 N/A THR 323.A OG1 VAL 309.A O no hydrogen 2.672 N/A ASN 326.A N THR 323.A O no hydrogen 3.191 N/A ASN 326.A ND2 ARG 295.A O no hydrogen 2.816 N/A ASN 326.A ND2 PRO 322.A O no hydrogen 2.646 N/A GLU 329.A N ASN 326.A O no hydrogen 2.891 N/A LEU 330.A N GLU 296.A OE2 no hydrogen 2.822 N/A ILE 331.A N GLU 296.A OE1 no hydrogen 2.887 N/A LEU 332.A N PRO 328.A O no hydrogen 2.984 N/A ARG 333.A N GLU 329.A O no hydrogen 3.028 N/A ARG 333.A NH1 GLU 272.A OE1 no hydrogen 2.982 N/A ARG 333.A NH1 GLU 272.A OE2 no hydrogen 3.245 N/A ARG 333.A NH2 GLU 272.A OE2 no hydrogen 2.927 N/A PHE 334.A N LEU 330.A O no hydrogen 2.847 N/A GLN 335.A N ILE 331.A O no hydrogen 2.861 N/A GLN 335.A NE2 VAL 306.A O no hydrogen 3.220 N/A LYS 336.A N LEU 332.A O no hydrogen 2.871 N/A LYS 336.A NZ GLU 340.A OE2 no hydrogen 2.814 N/A GLU 337.A N ARG 333.A O no hydrogen 2.998 N/A LEU 338.A N PHE 334.A O no hydrogen 2.800 N/A LYS 339.A N GLN 335.A O no hydrogen 2.867 N/A GLU 340.A N LYS 336.A O no hydrogen 3.087 N/A ILE 341.A N GLU 337.A O no hydrogen 3.276 N/A GLN 342.A N LEU 338.A O no hydrogen 2.772 N/A GLN 342.A NE2 GLN 305.A OE1 no hydrogen 3.048 N/A TYR 343.A N LYS 339.A O no hydrogen 3.025 N/A TYR 343.A OH THR 134.A O no hydrogen 2.847 N/A GLY 344.A N ILE 341.A O no hydrogen 3.348 N/A ARG 346.A N GLU 340.A O no hydrogen 2.972 N/A ARG 346.A NH1 GLU 337.A O no hydrogen 3.515 N/A ARG 346.A NH2 GLU 337.A OE2 no hydrogen 3.210 N/A TRP 350.A N HIS 348.A ND1 no hydrogen 3.212 N/A MET 351.A N HIS 348.A O no hydrogen 3.083 N/A PHE 352.A N LEU 86.A O no hydrogen 2.975 N/A VAL 354.A N VAL 84.A O no hydrogen 2.890 N/A