Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bw2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG ASP 227.A OD2 no hydrogen 2.833 N/A THR 4.A OG1 SER 1.A O no hydrogen 3.313 N/A ASP 5.A N SER 1.A O no hydrogen 2.947 N/A LEU 6.A N LEU 3.A O no hydrogen 2.940 N/A LEU 9.A N GLY 33.A O no hydrogen 3.122 N/A VAL 12.A N ALA 229.A O no hydrogen 2.723 N/A GLN 13.A N LEU 35.A O no hydrogen 2.994 N/A GLN 13.A NE2 PHE 37.A O no hydrogen 3.518 N/A ALA 14.A N LEU 231.A O no hydrogen 2.787 N/A MET 16.A N SER 21.A OG no hydrogen 2.769 N/A SER 21.A N MET 16.A O no hydrogen 3.047 N/A SER 21.A OG MET 16.A O no hydrogen 2.698 N/A VAL 22.A N VAL 20.A O no hydrogen 3.097 N/A LEU 25.A N VAL 22.A O no hydrogen 2.868 N/A ALA 26.A N VAL 22.A O no hydrogen 3.310 N/A ALA 27.A N PRO 23.A O no hydrogen 2.881 N/A ALA 28.A N GLN 24.A O no hydrogen 3.250 N/A VAL 29.A N LEU 25.A O no hydrogen 3.075 N/A CYS 30.A N ALA 26.A O no hydrogen 2.805 N/A CYS 30.A SG ALA 26.A O no hydrogen 3.093 N/A CYS 30.A SG PRO 62.A O no hydrogen 3.274 N/A GLU 31.A N ALA 27.A O no hydrogen 2.758 N/A ALA 32.A N ALA 28.A O no hydrogen 3.141 N/A ALA 32.A N VAL 29.A O no hydrogen 3.011 N/A GLY 33.A N CYS 30.A O no hydrogen 2.978 N/A GLY 34.A N VAL 29.A O no hydrogen 2.980 N/A LEU 35.A N ILE 11.A O no hydrogen 2.986 N/A LEU 38.A N GLY 64.A O no hydrogen 2.771 N/A ALA 40.A N ASN 66.A O no hydrogen 2.925 N/A TYR 42.A N ASP 104.A OD1 no hydrogen 3.090 N/A TYR 42.A N ASP 104.A OD2 no hydrogen 3.038 N/A TYR 42.A OH TYR 289.A OH no hydrogen 2.717 N/A LYS 43.A N ALA 40.A O no hydrogen 3.070 N/A GLY 47.A N THR 44.A OG1 no hydrogen 2.945 N/A MET 48.A N THR 44.A O no hydrogen 2.999 N/A TYR 49.A N ALA 45.A O no hydrogen 2.937 N/A TYR 49.A OH ASP 116.A OD2 no hydrogen 2.939 N/A GLN 50.A N ASP 46.A O no hydrogen 2.904 N/A GLN 50.A NE2 ASP 46.A O no hydrogen 3.678 N/A GLN 50.A NE2 ASP 46.A OD1 no hydrogen 3.012 N/A GLU 51.A N GLY 47.A O no hydrogen 3.261 N/A ILE 52.A N MET 48.A O no hydrogen 3.042 N/A LYS 53.A N TYR 49.A O no hydrogen 3.041 N/A ARG 54.A N GLN 50.A O no hydrogen 2.920 N/A LEU 55.A N GLU 51.A O no hydrogen 2.800 N/A ARG 56.A N ILE 52.A O no hydrogen 3.069 N/A ARG 56.A NH1 ASP 116.A OD1 no hydrogen 3.175 N/A ARG 56.A NH1 ASP 116.A OD2 no hydrogen 2.877 N/A ARG 56.A NH2 ASP 116.A O no hydrogen 3.072 N/A ARG 56.A NH2 ASP 116.A OD1 no hydrogen 3.174 N/A GLY 57.A N LYS 53.A O no hydrogen 3.271 N/A GLY 57.A N ARG 54.A O no hydrogen 3.042 N/A LEU 58.A N LEU 55.A O no hydrogen 2.806 N/A THR 59.A N LEU 55.A O no hydrogen 2.823 N/A THR 59.A OG1 GLU 31.A OE2 no hydrogen 2.597 N/A ARG 61.A N THR 59.A OG1 no hydrogen 3.008 N/A GLY 64.A N GLY 36.A O no hydrogen 2.850 N/A VAL 65.A N VAL 120.A O no hydrogen 2.904 N/A ASN 66.A N LEU 38.A O no hydrogen 2.988 N/A ASN 66.A ND2 SER 122.A OG no hydrogen 2.757 N/A VAL 67.A N SER 122.A O no hydrogen 2.902 N/A MET 69.A N HIS 124.A O no hydrogen 2.964 N/A GLN 71.A N ARG 102.A O no hydrogen 2.862 N/A VAL 79.A N GLY 75.A O no hydrogen 3.197 N/A TYR 80.A N ALA 76.A O no hydrogen 2.964 N/A TYR 80.A OH ALA 264.A O no hydrogen 2.580 N/A ALA 81.A N VAL 77.A O no hydrogen 2.894 N/A HIS 82.A N GLU 78.A O no hydrogen 3.065 N/A GLN 83.A N VAL 79.A O no hydrogen 3.054 N/A LEU 84.A N ALA 81.A O no hydrogen 2.954 N/A ALA 85.A N HIS 82.A O no hydrogen 3.010 N/A ALA 88.A N LEU 84.A O no hydrogen 3.013 N/A ALA 89.A N ALA 85.A O no hydrogen 3.027 N/A TRP 90.A N GLY 86.A O no hydrogen 2.893 N/A TYR 91.A N GLU 87.A O no hydrogen 2.884 N/A TYR 91.A OH ASP 308.A OD2 no hydrogen 2.672 N/A GLU 92.A N ALA 89.A O no hydrogen 3.009 N/A THR 93.A N ALA 88.A O no hydrogen 2.878 N/A THR 93.A OG1 GLU 94.A O no hydrogen 3.570 N/A GLY 96.A N LEU 295.A O no hydrogen 3.018 N/A ASP 99.A N ASP 97.A OD1 no hydrogen 2.728 N/A ARG 102.A NH1 ASP 99.A OD1 no hydrogen 3.411 N/A GLY 105.A N ASP 103.A OD1 no hydrogen 2.673 N/A TYR 106.A N ASP 103.A O no hydrogen 3.067 N/A LYS 109.A N GLY 105.A O no hydrogen 2.798 N/A LYS 109.A NZ ALA 40.A O no hydrogen 2.685 N/A LYS 109.A NZ LYS 43.A O no hydrogen 2.722 N/A LYS 109.A NZ ASP 104.A O no hydrogen 2.627 N/A LEU 110.A N TYR 106.A O no hydrogen 2.915 N/A ALA 111.A N ASP 107.A O no hydrogen 3.104 N/A VAL 112.A N ALA 108.A O no hydrogen 3.147 N/A LEU 113.A N LYS 109.A O no hydrogen 2.911 N/A LEU 114.A N LEU 110.A O no hydrogen 2.862 N/A ASP 115.A N ALA 111.A O no hydrogen 2.878 N/A ASP 116.A N VAL 112.A O no hydrogen 2.973 N/A VAL 120.A N PHE 63.A O no hydrogen 3.180 N/A VAL 121.A N LEU 142.A O no hydrogen 2.988 N/A SER 122.A N VAL 65.A O no hydrogen 2.970 N/A PHE 123.A N LEU 144.A O no hydrogen 2.944 N/A HIS 124.A N VAL 67.A O no hydrogen 3.044 N/A GLU 131.A N ASP 129.A OD1 no hydrogen 2.731 N/A VAL 132.A N ASP 129.A O no hydrogen 2.953 N/A ILE 133.A N ASP 129.A O no hydrogen 3.392 N/A ALA 134.A N ARG 130.A O no hydrogen 3.013 N/A ARG 135.A N GLU 131.A O no hydrogen 2.933 N/A LEU 136.A N VAL 132.A O no hydrogen 3.027 N/A ARG 137.A N ILE 133.A O no hydrogen 2.903 N/A ARG 137.A NH1 ASP 162.A OD1 no hydrogen 2.667 N/A ARG 137.A NH2 GLY 160.A O no hydrogen 2.815 N/A ARG 137.A NH2 ASP 162.A OD1 no hydrogen 2.715 N/A ARG 138.A N ALA 134.A O no hydrogen 2.941 N/A ALA 139.A N ARG 135.A O no hydrogen 3.060 N/A GLY 140.A N ARG 137.A O no hydrogen 2.891 N/A THR 141.A N LEU 136.A O no hydrogen 2.927 N/A THR 141.A OG1 VAL 118.A O no hydrogen 2.719 N/A LEU 142.A N PRO 119.A O no hydrogen 2.985 N/A THR 143.A N ASP 162.A OD2 no hydrogen 2.766 N/A THR 143.A OG1 ASP 162.A OD2 no hydrogen 3.172 N/A LEU 144.A N VAL 121.A O no hydrogen 2.950 N/A VAL 145.A N ALA 163.A O no hydrogen 3.316 N/A THR 146.A N PHE 123.A O no hydrogen 3.415 N/A ALA 147.A N ILE 165.A O no hydrogen 2.915 N/A THR 148.A N GLU 152.A OE1 no hydrogen 2.677 N/A THR 148.A OG1 GLU 152.A OE1 no hydrogen 2.752 N/A GLU 152.A N THR 149.A OG1 no hydrogen 3.027 N/A ALA 153.A N THR 149.A O no hydrogen 3.000 N/A ARG 154.A N PRO 150.A O no hydrogen 2.964 N/A ALA 155.A N GLU 151.A O no hydrogen 3.149 N/A VAL 156.A N GLU 152.A O no hydrogen 2.972 N/A GLU 157.A N ALA 153.A O no hydrogen 3.012 N/A ALA 158.A N ARG 154.A O no hydrogen 2.842 N/A ALA 159.A N ALA 155.A O no hydrogen 3.111 N/A ALA 159.A N VAL 156.A O no hydrogen 3.216 N/A GLY 160.A N GLU 157.A O no hydrogen 2.830 N/A ALA 161.A N VAL 156.A O no hydrogen 3.444 N/A ASP 162.A N THR 143.A O no hydrogen 2.985 N/A ASP 162.A N THR 143.A OG1 no hydrogen 3.226 N/A ALA 163.A N THR 143.A O no hydrogen 3.180 N/A VAL 164.A N PRO 205.A O no hydrogen 3.085 N/A ILE 165.A N VAL 145.A O no hydrogen 2.795 N/A ALA 166.A N VAL 207.A O no hydrogen 2.761 N/A GLN 167.A N ALA 147.A O no hydrogen 3.174 N/A GLN 167.A NE2 HIS 174.A O no hydrogen 2.962 N/A GLY 168.A N ALA 209.A O no hydrogen 2.793 N/A VAL 169.A N ILE 189.A O no hydrogen 2.889 N/A GLU 170.A N GLU 170.A OE1 no hydrogen 2.741 N/A ALA 171.A N GLY 168.A O no hydrogen 3.239 N/A GLY 173.A N ARG 271.A O no hydrogen 3.167 N/A HIS 174.A NE2 THR 266.A OG1 no hydrogen 2.604 N/A GLN 175.A N PRO 269.A O no hydrogen 3.013 N/A GLY 176.A N GLN 167.A OE1 no hydrogen 2.642 N/A HIS 178.A N GLU 152.A OE2 no hydrogen 2.967 N/A HIS 178.A NE2 THR 146.A O no hydrogen 2.878 N/A SER 181.A N ASP 184.A OD2 no hydrogen 3.230 N/A ASP 184.A N SER 181.A O no hydrogen 2.883 N/A ASP 185.A N SER 182.A O no hydrogen 3.065 N/A ALA 187.A N ASP 184.A O no hydrogen 2.969 N/A LEU 191.A N GLU 170.A OE1 no hydrogen 2.874 N/A LEU 191.A N GLU 170.A OE2 no hydrogen 3.333 N/A SER 193.A N GLY 190.A O no hydrogen 3.025 N/A LEU 194.A N GLY 190.A O no hydrogen 2.855 N/A LEU 195.A N LEU 191.A O no hydrogen 2.750 N/A GLN 197.A N SER 193.A O no hydrogen 3.103 N/A GLN 197.A NE2 SER 193.A O no hydrogen 3.530 N/A GLN 197.A NE2 SER 193.A OG no hydrogen 3.209 N/A VAL 198.A N LEU 194.A O no hydrogen 2.834 N/A ARG 199.A N LEU 195.A O no hydrogen 2.881 N/A ARG 199.A NE GLY 225.A O no hydrogen 3.568 N/A ARG 199.A NH1 ARG 199.A O no hydrogen 3.426 N/A ARG 199.A NH1 ILE 204.A O no hydrogen 3.194 N/A ARG 199.A NH2 ILE 204.A O no hydrogen 3.008 N/A GLU 200.A N ALA 196.A O no hydrogen 3.262 N/A GLU 200.A N GLN 197.A O no hydrogen 3.268 N/A ALA 201.A N VAL 198.A O no hydrogen 2.978 N/A VAL 202.A N VAL 198.A O no hydrogen 3.041 N/A ASP 203.A N GLU 157.A OE2 no hydrogen 2.798 N/A VAL 207.A N VAL 164.A O no hydrogen 2.884 N/A ALA 208.A N ALA 228.A O no hydrogen 2.967 N/A ALA 209.A N ALA 166.A O no hydrogen 2.940 N/A MET 213.A N GLN 217.A OE1 no hydrogen 2.875 N/A ARG 214.A N GLN 217.A OE1 no hydrogen 2.926 N/A ARG 214.A NH1 MET 213.A O no hydrogen 3.322 N/A ARG 214.A NH1 MET 322.A O no hydrogen 2.997 N/A ARG 214.A NH2 MET 322.A O no hydrogen 3.517 N/A GLY 215.A N GLU 338.A OE2 no hydrogen 2.781 N/A GLN 217.A N ARG 214.A O no hydrogen 2.988 N/A GLN 217.A NE2 GLY 211.A O no hydrogen 3.185 N/A ILE 218.A N ARG 214.A O no hydrogen 3.283 N/A ALA 219.A N GLY 215.A O no hydrogen 2.989 N/A ALA 220.A N GLY 216.A O no hydrogen 2.931 N/A VAL 221.A N GLN 217.A O no hydrogen 3.025 N/A LEU 222.A N ILE 218.A O no hydrogen 3.079 N/A ALA 223.A N ALA 219.A O no hydrogen 2.941 N/A ALA 224.A N ALA 220.A O no hydrogen 3.073 N/A GLY 225.A N LEU 222.A O no hydrogen 3.042 N/A ALA 226.A N VAL 221.A O no hydrogen 2.885 N/A ASP 227.A N VAL 206.A O no hydrogen 2.733 N/A ALA 229.A N PRO 10.A O no hydrogen 2.976 N/A GLN 230.A N ALA 208.A O no hydrogen 2.749 N/A LEU 231.A N VAL 12.A O no hydrogen 2.721 N/A PHE 235.A N GLY 232.A O no hydrogen 2.795 N/A LEU 236.A N GLY 232.A O no hydrogen 2.974 N/A LEU 236.A N THR 233.A O no hydrogen 3.120 N/A THR 238.A N PHE 235.A O no hydrogen 3.104 N/A THR 238.A OG1 PHE 235.A O no hydrogen 2.706 N/A ASP 239.A N LEU 326.A O no hydrogen 3.146 N/A GLU 240.A N GLU 240.A OE1 no hydrogen 2.608 N/A SER 241.A N THR 238.A O no hydrogen 3.127 N/A SER 241.A OG LEU 236.A O no hydrogen 2.747 N/A GLY 242.A N VAL 20.A O no hydrogen 2.771 N/A ALA 243.A N SER 241.A OG no hydrogen 3.147 N/A HIS 247.A N PRO 244.A O no hydrogen 2.920 N/A HIS 247.A NE2 TRP 315.A O no hydrogen 2.916 N/A LYS 248.A N PRO 244.A O no hydrogen 2.998 N/A LYS 248.A NZ THR 238.A O no hydrogen 3.005 N/A LYS 248.A NZ SER 241.A O no hydrogen 2.900 N/A ARG 249.A N GLY 245.A O no hydrogen 2.826 N/A ALA 250.A N PRO 246.A O no hydrogen 3.076 N/A ASP 253.A N ALA 250.A O no hydrogen 3.026 N/A LEU 255.A N ASP 253.A OD1 no hydrogen 2.659 N/A PHE 256.A N ASP 253.A O no hydrogen 2.717 N/A ARG 260.A N SER 272.A O no hydrogen 3.013 N/A THR 262.A N ALA 270.A O no hydrogen 2.946 N/A ARG 263.A NE ASP 180.A OD2 no hydrogen 2.957 N/A ARG 263.A NH1 ASP 185.A OD1 no hydrogen 3.053 N/A ARG 263.A NH1 ASP 185.A OD2 no hydrogen 3.321 N/A ARG 263.A NH2 ASP 180.A OD1 no hydrogen 2.774 N/A ARG 263.A NH2 ASP 185.A OD1 no hydrogen 2.902 N/A ALA 264.A N THR 262.A OG1 no hydrogen 2.953 N/A THR 266.A OG1 HIS 174.A NE2 no hydrogen 2.604 N/A GLY 267.A N ARG 263.A O no hydrogen 2.825 N/A ARG 268.A NH1 THR 177.A O no hydrogen 2.916 N/A ARG 268.A NH2 THR 177.A O no hydrogen 3.244 N/A ARG 268.A NH2 THR 177.A OG1 no hydrogen 2.819 N/A ALA 270.A N THR 262.A O no hydrogen 3.015 N/A ARG 271.A N GLY 173.A O no hydrogen 2.818 N/A ARG 271.A NE VAL 169.A O no hydrogen 3.059 N/A ARG 271.A NH1 THR 259.A OG1 no hydrogen 2.925 N/A ARG 271.A NH2 VAL 169.A O no hydrogen 2.761 N/A SER 272.A N ARG 260.A O no hydrogen 3.061 N/A SER 272.A OG LEU 273.A O no hydrogen 2.961 N/A LEU 273.A N LEU 314.A O no hydrogen 2.907 N/A VAL 274.A N ARG 258.A O no hydrogen 2.896 N/A ASN 275.A ND2 ALA 309.A O no hydrogen 2.974 N/A ASN 275.A ND2 MET 312.A O no hydrogen 2.778 N/A ARG 276.A N GLN 310.A OE1 no hydrogen 2.780 N/A ARG 276.A NH1 GLU 87.A OE1 no hydrogen 3.503 N/A ARG 276.A NH1 GLU 87.A OE2 no hydrogen 2.868 N/A ARG 276.A NH1 GLU 280.A OE2 no hydrogen 3.108 N/A ARG 276.A NH2 GLU 87.A OE1 no hydrogen 3.014 N/A ARG 276.A NH2 TYR 91.A OH no hydrogen 3.074 N/A PHE 277.A N GLN 310.A O no hydrogen 3.043 N/A LEU 278.A N ASN 275.A OD1 no hydrogen 3.012 N/A ARG 279.A N ASN 275.A O no hydrogen 2.916 N/A GLU 280.A N ARG 276.A O no hydrogen 2.890 N/A HIS 281.A N PHE 277.A O no hydrogen 2.945 N/A HIS 281.A NE2 GLU 87.A OE2 no hydrogen 2.583 N/A GLY 282.A N LEU 278.A O no hydrogen 2.780 N/A TYR 284.A N HIS 281.A O no hydrogen 3.007 N/A ALA 285.A N GLY 282.A O no hydrogen 3.333 N/A ALA 288.A N GLY 267.A O no hydrogen 3.068 N/A TYR 289.A OH TYR 42.A OH no hydrogen 2.717 N/A VAL 292.A N ALA 288.A O no hydrogen 2.835 N/A HIS 294.A N PRO 290.A O no hydrogen 2.894 N/A HIS 294.A NE2 GLY 101.A O no hydrogen 2.821 N/A LEU 295.A N ASP 291.A O no hydrogen 3.025 N/A THR 296.A N VAL 292.A O no hydrogen 2.936 N/A THR 296.A OG1 PHE 265.A O no hydrogen 2.584 N/A THR 296.A OG1 VAL 292.A O no hydrogen 3.433 N/A SER 297.A N HIS 293.A O no hydrogen 2.992 N/A ARG 300.A N THR 296.A O no hydrogen 2.938 N/A ARG 300.A NH2 HIS 293.A O no hydrogen 3.025 N/A LYS 301.A N SER 297.A O no hydrogen 2.954 N/A LYS 301.A NZ SER 297.A OG no hydrogen 2.618 N/A ALA 302.A N PRO 298.A O no hydrogen 3.036 N/A ALA 303.A N LEU 299.A O no hydrogen 2.947 N/A ALA 304.A N ARG 300.A O no hydrogen 2.924 N/A LYS 305.A N LYS 301.A O no hydrogen 2.903 N/A ALA 306.A N ALA 302.A O no hydrogen 3.052 N/A GLY 307.A N ALA 304.A O no hydrogen 2.866 N/A ASP 308.A N ALA 303.A O no hydrogen 2.855 N/A GLN 310.A N ASP 308.A OD1 no hydrogen 2.976 N/A GLY 311.A N ASP 308.A O no hydrogen 3.178 N/A MET 312.A N ALA 309.A O no hydrogen 3.402 N/A TRP 315.A N ALA 313.A O no hydrogen 2.876 N/A ALA 316.A N ARG 271.A O no hydrogen 3.050 N/A GLY 317.A N THR 233.A OG1 no hydrogen 2.791 N/A GLN 318.A N GLU 170.A O no hydrogen 2.928 N/A HIS 320.A N GLY 317.A O no hydrogen 3.089 N/A HIS 320.A ND1 GLY 317.A O no hydrogen 3.231 N/A MET 322.A N GLY 319.A O no hydrogen 2.943 N/A ALA 323.A N HIS 320.A O no hydrogen 2.854 N/A ARG 324.A NH1 GLU 338.A OE1 no hydrogen 2.731 N/A ARG 324.A NH2 MET 213.A O no hydrogen 3.272 N/A ARG 324.A NH2 GLU 338.A OE1 no hydrogen 3.337 N/A ARG 324.A NH2 GLU 338.A OE2 no hydrogen 3.102 N/A ALA 328.A N GLU 240.A OE1 no hydrogen 2.778 N/A ARG 330.A NE GLU 333.A OE2 no hydrogen 2.890 N/A LEU 331.A N PRO 327.A O no hydrogen 3.030 N/A VAL 332.A N ALA 328.A O no hydrogen 3.013 N/A GLU 333.A N GLY 329.A O no hydrogen 3.227 N/A VAL 334.A N ARG 330.A O no hydrogen 2.920 N/A LEU 335.A N LEU 331.A O no hydrogen 2.851 N/A ALA 336.A N VAL 332.A O no hydrogen 2.778 N/A ALA 337.A N GLU 333.A O no hydrogen 2.970 N/A GLU 338.A N VAL 334.A O no hydrogen 2.884 N/A LEU 339.A N LEU 335.A O no hydrogen 2.816 N/A ALA 340.A N ALA 336.A O no hydrogen 2.994 N/A GLU 341.A N ALA 337.A O no hydrogen 2.915 N/A ALA 342.A N GLU 338.A O no hydrogen 2.906 N/A ARG 343.A N LEU 339.A O no hydrogen 2.891 N/A THR 344.A N ALA 340.A O no hydrogen 3.018 N/A THR 344.A OG1 ALA 340.A O no hydrogen 3.184 N/A ALA 345.A N GLU 341.A O no hydrogen 3.166 N/A LEU 346.A N ALA 342.A O no hydrogen 3.077 N/A SER 347.A N THR 344.A O no hydrogen 2.830 N/A SER 347.A OG ARG 343.A O no hydrogen 3.237 N/A SER 347.A OG THR 344.A O no hydrogen 3.302 N/A