Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ejn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N LEU 26.A O no hydrogen 2.848 N/A LYS 5.A N LEU 26.A O no hydrogen 3.367 N/A GLY 7.A N PHE 24.A O no hydrogen 3.269 N/A LEU 9.A N ARG 22.A O no hydrogen 2.913 N/A HIS 10.A N HIS 79.A O no hydrogen 3.084 N/A LYS 11.A N ARG 20.A O no hydrogen 3.089 N/A LYS 11.A NZ ARG 12.A O no hydrogen 3.502 N/A LYS 11.A NZ GLU 14.A OE2 no hydrogen 3.169 N/A ARG 12.A N THR 77.A O no hydrogen 3.124 N/A GLY 13.A N THR 18.A O no hydrogen 2.603 N/A GLU 14.A N ASP 261.A OD2 no hydrogen 3.014 N/A TYR 15.A OH CYS 248.A O no hydrogen 2.685 N/A THR 18.A OG1 ILE 16.A O no hydrogen 2.816 N/A ARG 20.A N LYS 11.A O no hydrogen 3.202 N/A ARG 22.A N LEU 9.A O no hydrogen 2.782 N/A ARG 22.A NH1 ASN 262.A OD1 no hydrogen 2.572 N/A TYR 23.A N TYR 35.A O no hydrogen 3.005 N/A PHE 24.A N GLY 7.A O no hydrogen 3.075 N/A LEU 25.A N ILE 33.A O no hydrogen 2.896 N/A LEU 26.A N LYS 5.A O no hydrogen 2.844 N/A LYS 27.A N THR 31.A O no hydrogen 2.843 N/A ASN 28.A N ALA 2.A O no hydrogen 2.812 N/A GLY 30.A N LYS 27.A O no hydrogen 2.952 N/A THR 31.A N ASP 29.A OD1 no hydrogen 2.886 N/A PHE 32.A N PHE 45.A O no hydrogen 3.046 N/A ILE 33.A N LEU 25.A O no hydrogen 3.222 N/A TYR 35.A N TYR 23.A O no hydrogen 2.807 N/A ASN 43.A N ASN 212.A O no hydrogen 2.919 N/A ASN 43.A ND2 LYS 211.A O no hydrogen 2.684 N/A ASN 43.A ND2 ASN 212.A O no hydrogen 3.445 N/A ASN 44.A ND2 VAL 214.A O no hydrogen 3.073 N/A PHE 45.A N LEU 42.A O no hydrogen 3.194 N/A SER 46.A N ASN 43.A O no hydrogen 3.120 N/A VAL 47.A N GLY 30.A O no hydrogen 2.984 N/A ALA 48.A N SER 46.A OG no hydrogen 2.918 N/A CYS 50.A N VAL 47.A O no hydrogen 3.002 N/A CYS 50.A SG SER 46.A O no hydrogen 3.464 N/A CYS 50.A SG ALA 48.A O no hydrogen 3.801 N/A GLN 51.A N ARG 66.A O no hydrogen 2.722 N/A MET 53.A N ILE 64.A O no hydrogen 2.994 N/A THR 55.A N THR 62.A O no hydrogen 3.113 N/A THR 55.A OG1 ARG 57.A O no hydrogen 3.423 N/A ARG 57.A N THR 55.A OG1 no hydrogen 3.305 N/A ASN 61.A N GLU 56.A OE1 no hydrogen 2.953 N/A THR 62.A N THR 55.A O no hydrogen 3.118 N/A THR 62.A OG1 ARG 59.A O no hydrogen 2.723 N/A PHE 63.A N PHE 78.A O no hydrogen 2.729 N/A ILE 64.A N MET 53.A O no hydrogen 2.923 N/A ILE 65.A N ARG 76.A O no hydrogen 3.043 N/A ARG 66.A N GLN 51.A O no hydrogen 2.809 N/A ARG 66.A NE GLU 75.A OE2 no hydrogen 2.683 N/A ARG 66.A NH1 ILE 142.A O no hydrogen 2.797 N/A ARG 66.A NH2 GLU 75.A OE2 no hydrogen 2.572 N/A CYS 67.A N ILE 74.A O no hydrogen 2.793 N/A CYS 67.A SG SER 46.A O no hydrogen 4.038 N/A GLN 69.A N THR 72.A O no hydrogen 2.774 N/A THR 71.A OG1 ASP 235.A OD2 no hydrogen 2.766 N/A THR 72.A N GLN 69.A O no hydrogen 3.006 N/A ILE 74.A N CYS 67.A O no hydrogen 2.869 N/A ARG 76.A N ILE 65.A O no hydrogen 3.167 N/A ARG 76.A NH1 PHE 32.A O no hydrogen 3.407 N/A ARG 76.A NH2 PHE 32.A O no hydrogen 2.662 N/A PHE 78.A N PHE 63.A O no hydrogen 2.795 N/A HIS 79.A N HIS 10.A O no hydrogen 2.786 N/A VAL 80.A N ASN 61.A O no hydrogen 3.316 N/A GLU 85.A N THR 82.A OG1 no hydrogen 3.094 N/A ARG 86.A N THR 82.A O no hydrogen 3.256 N/A ARG 86.A NH1 GLU 56.A OE2 no hydrogen 2.804 N/A ARG 86.A NH1 THR 62.A O no hydrogen 3.038 N/A ARG 86.A NH2 GLU 56.A OE2 no hydrogen 2.612 N/A GLU 87.A N PRO 83.A O no hydrogen 3.110 N/A GLU 88.A N GLU 84.A O no hydrogen 3.051 N/A TRP 89.A N GLU 85.A O no hydrogen 3.037 N/A THR 90.A N ARG 86.A O no hydrogen 2.726 N/A THR 91.A N GLU 87.A O no hydrogen 3.104 N/A THR 91.A OG1 GLU 87.A O no hydrogen 2.701 N/A ALA 92.A N GLU 88.A O no hydrogen 3.207 N/A ILE 93.A N TRP 89.A O no hydrogen 2.816 N/A GLN 94.A N THR 90.A O no hydrogen 2.892 N/A GLN 94.A NE2 GLN 94.A O no hydrogen 3.356 N/A THR 95.A N THR 91.A O no hydrogen 2.857 N/A VAL 96.A N ALA 92.A O no hydrogen 3.239 N/A ALA 97.A N ILE 93.A O no hydrogen 3.096 N/A THR 102.A N GLU 105.A OE1 no hydrogen 2.777 N/A THR 102.A OG1 GLU 105.A OE1 no hydrogen 2.676 N/A ASN 104.A N THR 102.A OG1 no hydrogen 3.365 N/A GLU 105.A N THR 102.A O no hydrogen 2.989 N/A PHE 106.A N MET 103.A O no hydrogen 3.253 N/A GLU 107.A N LYS 124.A O no hydrogen 2.855 N/A TYR 108.A OH MET 103.A O no hydrogen 2.784 N/A LEU 109.A N LEU 122.A O no hydrogen 2.964 N/A LEU 112.A N VAL 120.A O no hydrogen 2.806 N/A GLY 113.A N VAL 120.A O no hydrogen 3.164 N/A GLY 115.A N GLY 118.A O no hydrogen 2.857 N/A PHE 117.A N LEU 238.A O no hydrogen 3.150 N/A GLY 118.A N GLY 115.A O no hydrogen 3.276 N/A LYS 119.A N ILE 136.A O no hydrogen 3.054 N/A VAL 120.A N GLY 113.A O no hydrogen 2.700 N/A ILE 121.A N MET 134.A O no hydrogen 2.806 N/A LEU 122.A N LYS 110.A O no hydrogen 2.638 N/A VAL 123.A N TYR 132.A O no hydrogen 2.759 N/A LYS 124.A N GLU 107.A O no hydrogen 3.027 N/A GLU 125.A N ARG 130.A O no hydrogen 2.829 N/A LYS 126.A N GLU 105.A O no hydrogen 3.166 N/A LYS 126.A NZ ASN 104.A O no hydrogen 3.069 N/A THR 128.A N GLU 125.A O no hydrogen 3.297 N/A THR 128.A OG1 GLU 125.A OE2 no hydrogen 2.758 N/A GLY 129.A N GLU 125.A O no hydrogen 2.791 N/A ARG 130.A N THR 128.A OG1 no hydrogen 3.334 N/A TYR 132.A N VAL 123.A O no hydrogen 2.821 N/A ALA 133.A N MET 170.A O no hydrogen 2.891 N/A MET 134.A N ILE 121.A O no hydrogen 2.869 N/A LYS 135.A N PHE 168.A O no hydrogen 2.794 N/A LYS 135.A NZ THR 71.A O no hydrogen 2.852 N/A LYS 135.A NZ THR 71.A OG1 no hydrogen 2.777 N/A LYS 135.A NZ THR 72.A OG1 no hydrogen 3.160 N/A LYS 135.A NZ ASP 235.A O no hydrogen 3.005 N/A LYS 135.A NZ GLY 237.A O no hydrogen 3.171 N/A ILE 136.A N LYS 119.A O no hydrogen 2.671 N/A LEU 137.A N LEU 166.A O no hydrogen 2.768 N/A LYS 138.A N PHE 117.A O no hydrogen 2.876 N/A LYS 139.A N ASP 164.A O no hydrogen 2.947 N/A LYS 139.A NZ THR 162.A O no hydrogen 3.157 N/A LYS 139.A NZ HIS 163.A O no hydrogen 3.480 N/A VAL 141.A N LYS 138.A O no hydrogen 3.216 N/A ILE 142.A N LYS 138.A O no hydrogen 3.353 N/A VAL 143.A N LYS 139.A O no hydrogen 2.687 N/A ASN 147.A ND2 LEU 156.A O no hydrogen 2.780 N/A ARG 149.A N TYR 206.A OH no hydrogen 2.937 N/A HIS 150.A NE2 SER 202.A OG no hydrogen 2.692 N/A PHE 152.A N HIS 150.A ND1 no hydrogen 3.235 N/A THR 154.A OG1 ILE 233.A O no hydrogen 2.621 N/A ALA 155.A N GLU 171.A OE1 no hydrogen 2.883 N/A LEU 156.A N ASN 147.A OD1 no hydrogen 2.756 N/A LYS 157.A N VAL 169.A O no hydrogen 2.735 N/A TYR 158.A N VAL 169.A O no hydrogen 3.190 N/A TYR 158.A OH GLU 125.A OE1 no hydrogen 2.553 N/A PHE 160.A N CYS 167.A O no hydrogen 3.071 N/A THR 162.A N ARG 165.A O no hydrogen 2.861 N/A THR 162.A OG1 ASP 164.A OD1 no hydrogen 3.046 N/A ARG 165.A N THR 162.A O no hydrogen 3.331 N/A ARG 165.A NE ASP 164.A O no hydrogen 2.733 N/A LEU 166.A N LEU 137.A O no hydrogen 2.944 N/A CYS 167.A N PHE 160.A O no hydrogen 2.919 N/A PHE 168.A N LYS 135.A O no hydrogen 2.923 N/A VAL 169.A N TYR 158.A O no hydrogen 2.822 N/A MET 170.A N ALA 133.A O no hydrogen 2.708 N/A GLU 171.A N ALA 155.A O no hydrogen 3.080 N/A GLY 175.A N LEU 225.A O no hydrogen 2.894 N/A LEU 178.A N LEU 223.A O no hydrogen 2.899 N/A PHE 180.A N GLU 177.A O no hydrogen 2.998 N/A HIS 181.A N GLU 177.A O no hydrogen 3.239 N/A LEU 182.A N LEU 178.A O no hydrogen 2.924 N/A SER 183.A N PHE 179.A O no hydrogen 3.009 N/A SER 183.A OG PHE 179.A O no hydrogen 3.252 N/A ARG 184.A N PHE 180.A O no hydrogen 3.204 N/A GLU 185.A N HIS 181.A O no hydrogen 3.046 N/A ARG 186.A N LEU 182.A O no hydrogen 2.748 N/A PHE 188.A N MET 280.A O no hydrogen 2.787 N/A ARG 192.A N SER 189.A OG no hydrogen 3.346 N/A ARG 192.A NE TYR 196.A OH no hydrogen 2.757 N/A ARG 192.A NH1 GLU 185.A OE1 no hydrogen 2.939 N/A ARG 192.A NH1 GLU 185.A OE2 no hydrogen 3.505 N/A ARG 192.A NH2 GLU 185.A OE2 no hydrogen 3.129 N/A ALA 193.A N SER 189.A O no hydrogen 2.915 N/A ARG 194.A N GLU 190.A O no hydrogen 2.792 N/A ARG 194.A NE PHE 345.A O no hydrogen 2.593 N/A ARG 194.A NH2 PHE 345.A O no hydrogen 2.905 N/A PHE 195.A N ASP 191.A O no hydrogen 3.213 N/A TYR 196.A N ARG 192.A O no hydrogen 3.278 N/A GLY 197.A N ALA 193.A O no hydrogen 2.815 N/A ALA 198.A N ARG 194.A O no hydrogen 2.894 N/A GLU 199.A N PHE 195.A O no hydrogen 3.194 N/A ILE 200.A N TYR 196.A O no hydrogen 2.905 N/A VAL 201.A N GLY 197.A O no hydrogen 2.929 N/A SER 202.A N ALA 198.A O no hydrogen 3.017 N/A SER 202.A OG HIS 150.A NE2 no hydrogen 2.692 N/A ALA 203.A N GLU 199.A O no hydrogen 3.223 N/A LEU 204.A N ILE 200.A O no hydrogen 3.032 N/A ASP 205.A N VAL 201.A O no hydrogen 2.863 N/A TYR 206.A N SER 202.A O no hydrogen 3.164 N/A LEU 207.A N ALA 203.A O no hydrogen 3.023 N/A HIS 208.A N LEU 204.A O no hydrogen 2.869 N/A HIS 208.A ND1 ASP 336.A OD2 no hydrogen 2.729 N/A HIS 208.A NE2 ASP 269.A OD2 no hydrogen 2.666 N/A SER 209.A N ASP 205.A O no hydrogen 2.789 N/A GLU 210.A N TYR 206.A O no hydrogen 2.796 N/A LYS 211.A N LEU 207.A O no hydrogen 3.178 N/A ASN 212.A ND2 HIS 208.A O no hydrogen 3.455 N/A VAL 213.A N LEU 207.A O no hydrogen 3.003 N/A VAL 214.A N ASN 44.A OD1 no hydrogen 2.940 N/A TYR 215.A N ASP 269.A OD2 no hydrogen 2.893 N/A TYR 215.A OH THR 234.A O no hydrogen 2.823 N/A ARG 216.A N ASP 269.A OD1 no hydrogen 2.763 N/A ARG 216.A NE TYR 264.A OH no hydrogen 3.255 N/A ARG 216.A NH1 ARG 216.A O no hydrogen 2.670 N/A LYS 219.A NZ ASP 217.A OD1 no hydrogen 3.429 N/A LYS 219.A NZ THR 250.A OG1 no hydrogen 3.204 N/A ASN 222.A N LYS 219.A O no hydrogen 2.968 N/A ASN 222.A ND2 ASP 217.A O no hydrogen 2.831 N/A LEU 223.A N LEU 220.A O no hydrogen 3.197 N/A MET 224.A N LYS 232.A O no hydrogen 3.068 N/A LEU 225.A N GLY 176.A O no hydrogen 2.830 N/A ASP 226.A N HIS 230.A O no hydrogen 2.585 N/A LYS 227.A NZ ASP 228.A OD1 no hydrogen 2.761 N/A GLY 229.A N ASP 226.A O no hydrogen 3.135 N/A HIS 230.A ND1 GLU 199.A OE1 no hydrogen 2.852 N/A ILE 231.A N GLU 199.A OE2 no hydrogen 2.831 N/A LYS 232.A N MET 224.A O no hydrogen 2.777 N/A LYS 232.A NZ PRO 151.A O no hydrogen 2.762 N/A LYS 232.A NZ LEU 153.A O no hydrogen 2.888 N/A LYS 232.A NZ GLU 171.A OE1 no hydrogen 2.751 N/A ILE 233.A N PHE 152.A O no hydrogen 2.722 N/A THR 234.A N ASN 222.A O no hydrogen 2.916 N/A LYS 240.A NZ GLU 75.A OE1 no hydrogen 3.150 N/A LYS 240.A NZ GLU 75.A OE2 no hydrogen 2.982 N/A GLY 242.A N THR 246.A O no hydrogen 2.812 N/A GLU 252.A N GLU 252.A OE1 no hydrogen 3.015 N/A TYR 253.A N THR 250.A O no hydrogen 2.948 N/A TYR 253.A OH GLU 279.A OE1 no hydrogen 2.562 N/A LEU 254.A N PRO 251.A O no hydrogen 3.002 N/A GLU 257.A N GLU 257.A OE1 no hydrogen 2.791 N/A VAL 258.A N ALA 255.A O no hydrogen 3.090 N/A LEU 259.A N ALA 255.A O no hydrogen 3.146 N/A GLU 260.A N PRO 256.A O no hydrogen 2.909 N/A ASP 261.A N VAL 258.A O no hydrogen 3.092 N/A ARG 266.A NH2 PRO 41.A O no hydrogen 3.455 N/A VAL 268.A N GLY 265.A O no hydrogen 3.009 N/A ASP 269.A N ARG 266.A O no hydrogen 3.045 N/A TRP 270.A NE1 ASP 336.A OD1 no hydrogen 2.786 N/A TRP 271.A N ALA 267.A O no hydrogen 3.089 N/A GLY 272.A N VAL 268.A O no hydrogen 3.068 N/A LEU 273.A N ASP 269.A O no hydrogen 2.892 N/A GLY 274.A N TRP 270.A O no hydrogen 3.010 N/A VAL 275.A N TRP 271.A O no hydrogen 3.145 N/A VAL 276.A N GLY 272.A O no hydrogen 3.007 N/A MET 277.A N LEU 273.A O no hydrogen 2.849 N/A TYR 278.A N GLY 274.A O no hydrogen 2.797 N/A GLU 279.A N VAL 275.A O no hydrogen 2.907 N/A MET 280.A N VAL 276.A O no hydrogen 2.999 N/A MET 281.A N MET 277.A O no hydrogen 3.047 N/A MET 281.A N TYR 278.A O no hydrogen 3.176 N/A CYS 282.A N TYR 278.A O no hydrogen 2.781 N/A CYS 282.A SG TYR 278.A O no hydrogen 3.437 N/A GLY 283.A N GLU 279.A O no hydrogen 2.908 N/A ASN 289.A ND2 ASP 291.A O no hydrogen 3.480 N/A GLU 293.A N ASP 291.A OD1 no hydrogen 3.068 N/A LEU 295.A N ASP 291.A O no hydrogen 2.949 N/A PHE 296.A N HIS 292.A O no hydrogen 2.859 N/A GLU 297.A N GLU 293.A O no hydrogen 3.160 N/A LEU 298.A N LYS 294.A O no hydrogen 3.153 N/A ILE 299.A N LEU 295.A O no hydrogen 3.108 N/A LEU 300.A N PHE 296.A O no hydrogen 2.967 N/A MET 301.A N GLU 297.A O no hydrogen 2.754 N/A GLU 302.A N LEU 298.A O no hydrogen 3.076 N/A LEU 310.A N PRO 307.A O no hydrogen 3.436 N/A GLY 311.A N GLU 190.A OE2 no hydrogen 3.004 N/A GLU 313.A N GLU 313.A OE1 no hydrogen 2.785 N/A LYS 315.A N GLY 311.A O no hydrogen 3.146 N/A SER 316.A N PRO 312.A O no hydrogen 3.070 N/A LEU 317.A N GLU 313.A O no hydrogen 2.963 N/A LEU 318.A N ALA 314.A O no hydrogen 2.856 N/A SER 319.A N LYS 315.A O no hydrogen 2.895 N/A SER 319.A OG LYS 315.A O no hydrogen 2.672 N/A GLY 320.A N SER 316.A O no hydrogen 2.889 N/A LEU 321.A N LEU 317.A O no hydrogen 2.803 N/A LEU 322.A N LEU 318.A O no hydrogen 3.055 N/A LYS 324.A NZ ILE 299.A O no hydrogen 2.650 N/A LYS 324.A NZ GLU 302.A O no hydrogen 2.882 N/A LYS 327.A N ASP 325.A OD1 no hydrogen 3.372 N/A GLN 328.A N ASP 325.A O no hydrogen 3.059 N/A ARG 329.A N ASP 325.A O no hydrogen 3.100 N/A ARG 329.A NE LYS 323.A O no hydrogen 2.820 N/A ARG 329.A NH1 GLU 257.A OE1 no hydrogen 3.536 N/A ARG 329.A NH1 GLU 257.A OE2 no hydrogen 2.737 N/A ARG 329.A NH1 ALA 267.A O no hydrogen 2.871 N/A ARG 329.A NH2 GLU 257.A OE1 no hydrogen 2.970 N/A ARG 329.A NH2 LYS 323.A O no hydrogen 2.990 N/A LEU 330.A N GLY 320.A O no hydrogen 2.779 N/A GLY 331.A N GLU 339.A OE2 no hydrogen 2.644 N/A GLY 332.A N ARG 329.A O no hydrogen 2.905 N/A ASP 336.A N GLY 333.A O no hydrogen 3.180 N/A LYS 338.A N GLU 335.A O no hydrogen 3.284 N/A GLU 339.A N ASP 336.A O no hydrogen 3.215 N/A ILE 340.A N ALA 337.A O no hydrogen 2.874 N/A MET 341.A N ALA 337.A O no hydrogen 2.871 N/A GLN 342.A N LYS 338.A O no hydrogen 3.005 N/A HIS 343.A N ILE 340.A O no hydrogen 3.098 N/A PHE 346.A N HIS 343.A O no hydrogen 3.081 N/A ALA 347.A N ARG 344.A O no hydrogen 2.983 N/A ILE 349.A N PHE 346.A O no hydrogen 3.156 N/A GLN 352.A NE2 GLU 356.A OE2 no hydrogen 2.716 N/A VAL 354.A N VAL 350.A O no hydrogen 3.099 N/A TYR 355.A N TRP 351.A O no hydrogen 3.117 N/A TYR 355.A OH ARG 149.A O no hydrogen 2.559 N/A GLU 356.A N GLN 352.A O no hydrogen 3.030 N/A GLU 356.A N HIS 353.A O no hydrogen 3.200 N/A LYS 357.A N VAL 354.A O no hydrogen 2.997 N/A LYS 358.A N HIS 353.A O no hydrogen 2.736 N/A LYS 358.A NZ GLU 356.A OE1 no hydrogen 3.225 N/A GLN 366.A N TYR 375.A OH no hydrogen 3.423 N/A THR 368.A N ASP 372.A OD2 no hydrogen 3.201 N/A THR 368.A OG1 ASP 372.A OD2 no hydrogen 2.881 N/A SER 369.A OG THR 371.A OG1 no hydrogen 2.907 N/A THR 371.A OG1 SER 369.A OG no hydrogen 2.907 N/A ASP 372.A N SER 369.A O no hydrogen 3.090 N/A ARG 374.A N ASP 372.A OD1 no hydrogen 3.132 N/A PHE 376.A N THR 373.A O no hydrogen 2.903 N/A