Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8xxn_3M.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 1.A N GLU 1.A OE1 no hydrogen 2.831 N/A GLN 4.A N ASP 3.A OD1 no hydrogen 2.663 N/A ALA 5.A N GLU 1.A O no hydrogen 2.911 N/A ALA 6.A N GLU 2.A O no hydrogen 2.861 N/A GLU 7.A N ASP 3.A O no hydrogen 2.912 N/A LEU 8.A N GLN 4.A O no hydrogen 2.938 N/A ARG 9.A N ALA 5.A O no hydrogen 2.852 N/A ALA 10.A N ALA 6.A O no hydrogen 2.880 N/A TYR 11.A N GLU 7.A O no hydrogen 2.951 N/A LEU 12.A N LEU 8.A O no hydrogen 2.865 N/A LYS 13.A N ARG 9.A O no hydrogen 2.885 N/A SER 14.A N ALA 10.A O no hydrogen 2.907 N/A SER 14.A OG TYR 11.A O no hydrogen 2.441 N/A LYS 15.A N TYR 11.A O no hydrogen 2.951 N/A LEU 21.A N LEU 17.A O no hydrogen 2.902 N/A ALA 22.A N HIS 18.A O no hydrogen 2.887 N/A GLN 23.A N VAL 19.A O no hydrogen 2.930 N/A ILE 24.A N ASP 20.A O no hydrogen 2.917 N/A ILE 25.A N LEU 21.A O no hydrogen 2.920 N/A GLU 26.A N ALA 22.A O no hydrogen 2.919 N/A ALA 27.A N GLN 23.A O no hydrogen 2.964 N/A CYS 28.A N ILE 24.A O no hydrogen 2.889 N/A CYS 28.A SG ILE 24.A O no hydrogen 3.342 N/A CYS 28.A SG ILE 25.A O no hydrogen 3.606 N/A ASP 29.A N ILE 25.A O no hydrogen 2.951 N/A CYS 31.A N ALA 27.A O no hydrogen 2.939 N/A CYS 31.A SG CYS 28.A O no hydrogen 3.236 N/A LEU 32.A N CYS 28.A O no hydrogen 2.947 N/A ASN 38.A N GLU 34.A O no hydrogen 2.941 N/A SER 39.A N SER 35.A O no hydrogen 2.838 N/A SER 39.A OG SER 35.A O no hydrogen 2.762 N/A VAL 40.A N VAL 36.A O no hydrogen 2.939 N/A VAL 41.A N MET 37.A O no hydrogen 2.904 N/A SER 42.A N ASN 38.A O no hydrogen 2.932 N/A SER 42.A OG ASN 38.A O no hydrogen 3.372 N/A SER 42.A OG SER 39.A O no hydrogen 2.531 N/A LEU 43.A N SER 39.A O no hydrogen 2.962 N/A LEU 44.A N VAL 40.A O no hydrogen 2.894 N/A LEU 45.A N VAL 41.A O no hydrogen 2.935 N/A LEU 47.A N LEU 44.A O no hydrogen 3.440 N/A ILE 53.A N GLN 49.A O no hydrogen 2.915 N/A GLU 54.A N GLU 50.A O no hydrogen 2.913 N/A SER 55.A N ALA 51.A O no hydrogen 2.909 N/A SER 55.A OG GLU 26.A OE2 no hydrogen 3.553 N/A SER 55.A OG LEU 52.A O no hydrogen 2.583 N/A LEU 56.A N LEU 52.A O no hydrogen 2.905 N/A CYS 57.A N ILE 53.A O no hydrogen 2.856 N/A CYS 57.A SG ILE 53.A O no hydrogen 3.367 N/A CYS 57.A SG SER 94.A OG no hydrogen 3.471 N/A GLU 58.A N GLU 54.A O no hydrogen 2.938 N/A LYS 59.A N SER 55.A O no hydrogen 2.965 N/A LYS 59.A NZ GLU 26.A OE2 no hydrogen 2.445 N/A LYS 59.A NZ SER 55.A O no hydrogen 2.907 N/A LEU 60.A N LEU 56.A O no hydrogen 2.844 N/A VAL 61.A N CYS 57.A O no hydrogen 2.942 N/A LYS 62.A N GLU 58.A O no hydrogen 2.917 N/A PHE 63.A N LYS 59.A O no hydrogen 2.929 N/A ARG 64.A N LEU 60.A O no hydrogen 2.872 N/A GLU 65.A N VAL 61.A O no hydrogen 2.934 N/A ARG 70.A N ARG 66.A O no hydrogen 2.888 N/A LEU 71.A N PRO 67.A O no hydrogen 2.933 N/A GLN 72.A N SER 68.A O no hydrogen 2.910 N/A LEU 73.A N LEU 69.A O no hydrogen 2.890 N/A LEU 74.A N ARG 70.A O no hydrogen 2.945 N/A SER 75.A N LEU 71.A O no hydrogen 2.917 N/A SER 75.A OG LEU 71.A O no hydrogen 2.453 N/A SER 75.A OG GLN 72.A O no hydrogen 2.925 N/A ASN 76.A N GLN 72.A O no hydrogen 2.932 N/A LEU 77.A N LEU 73.A O no hydrogen 2.934 N/A PHE 78.A N LEU 74.A O no hydrogen 2.965 N/A HIS 79.A N SER 75.A O no hydrogen 2.908 N/A GLY 80.A N ASN 76.A O no hydrogen 2.887 N/A GLY 80.A N LEU 77.A O no hydrogen 3.141 N/A MET 81.A N LEU 77.A O no hydrogen 2.961 N/A ASN 84.A ND2 ASP 119.A O no hydrogen 3.554 N/A THR 85.A OG1 GLU 50.A OE2 no hydrogen 3.510 N/A VAL 87.A N THR 85.A OG1 no hydrogen 3.229 N/A ARG 88.A N THR 85.A O no hydrogen 3.109 N/A TYR 89.A OH LYS 126.A O no hydrogen 2.870 N/A TYR 89.A OH THR 129.A OG1 no hydrogen 3.371 N/A THR 90.A N PRO 86.A O no hydrogen 3.022 N/A THR 90.A OG1 GLU 54.A OE2 no hydrogen 2.465 N/A THR 90.A OG1 VAL 87.A O no hydrogen 2.575 N/A VAL 91.A N VAL 87.A O no hydrogen 2.861 N/A TYR 92.A N ARG 88.A O no hydrogen 2.846 N/A TYR 92.A OH PRO 107.A O no hydrogen 2.634 N/A CYS 93.A N TYR 89.A O no hydrogen 2.922 N/A CYS 93.A SG TYR 89.A O no hydrogen 3.193 N/A SER 94.A N THR 90.A O no hydrogen 2.965 N/A SER 94.A OG VAL 91.A O no hydrogen 2.602 N/A LEU 95.A N VAL 91.A O no hydrogen 2.871 N/A ILE 96.A N TYR 92.A O no hydrogen 2.887 N/A LYS 97.A N CYS 93.A O no hydrogen 2.948 N/A VAL 98.A N SER 94.A O no hydrogen 2.915 N/A ALA 99.A N LEU 95.A O no hydrogen 2.885 N/A ALA 100.A N ILE 96.A O no hydrogen 2.902 N/A SER 101.A N LYS 97.A O no hydrogen 2.930 N/A SER 101.A OG LYS 97.A O no hydrogen 3.350 N/A SER 101.A OG VAL 98.A O no hydrogen 2.718 N/A CYS 102.A N VAL 98.A O no hydrogen 2.952 N/A CYS 102.A SG VAL 98.A O no hydrogen 3.415 N/A CYS 102.A SG ALA 99.A O no hydrogen 3.273 N/A THR 108.A OG1 ILE 106.A O no hydrogen 3.147 N/A VAL 113.A N GLU 109.A O no hydrogen 2.984 N/A ARG 114.A N LEU 110.A O no hydrogen 2.890 N/A ARG 114.A NE ASP 111.A OD1 no hydrogen 2.973 N/A LYS 115.A N ASP 111.A O no hydrogen 2.921 N/A LYS 115.A NZ ASP 111.A O no hydrogen 3.069 N/A TRP 116.A N GLN 112.A O no hydrogen 2.946 N/A ILE 117.A N VAL 113.A O no hydrogen 2.911 N/A SER 118.A N ARG 114.A O no hydrogen 2.929 N/A SER 118.A OG ARG 114.A O no hydrogen 2.778 N/A SER 118.A OG LYS 115.A O no hydrogen 3.234 N/A ASP 119.A N LYS 115.A O no hydrogen 2.881 N/A TRP 120.A N TRP 116.A O no hydrogen 2.908 N/A ASN 121.A N ILE 117.A O no hydrogen 3.383 N/A ASN 121.A ND2 SER 118.A O no hydrogen 3.107 N/A THR 124.A OG1 SER 157.A O no hydrogen 3.354 N/A LYS 127.A N THR 123.A O no hydrogen 3.007 N/A HIS 128.A N THR 124.A O no hydrogen 2.834 N/A HIS 128.A NE2 SER 157.A O no hydrogen 2.806 N/A THR 129.A N GLU 125.A O no hydrogen 3.005 N/A THR 129.A OG1 LYS 126.A O no hydrogen 2.551 N/A LEU 130.A N LYS 126.A O no hydrogen 2.935 N/A LEU 131.A N LYS 127.A O no hydrogen 2.917 N/A ARG 132.A N HIS 128.A O no hydrogen 2.854 N/A ARG 132.A NH1 ASP 169.A OD2 no hydrogen 3.013 N/A LEU 133.A N THR 129.A O no hydrogen 2.947 N/A LEU 134.A N LEU 130.A O no hydrogen 2.918 N/A TYR 135.A N LEU 131.A O no hydrogen 2.960 N/A GLU 136.A N ARG 132.A O no hydrogen 2.896 N/A ALA 137.A N LEU 133.A O no hydrogen 2.929 N/A LEU 138.A N LEU 134.A O no hydrogen 2.858 N/A VAL 139.A N TYR 135.A O no hydrogen 2.920 N/A ASP 140.A N GLU 136.A O no hydrogen 2.914 N/A CYS 141.A N ALA 137.A O no hydrogen 2.929 N/A CYS 141.A SG ALA 137.A O no hydrogen 3.307 N/A CYS 141.A SG LEU 138.A O no hydrogen 3.379 N/A LYS 143.A N LEU 138.A O no hydrogen 3.285 N/A LYS 143.A NZ GLN 104.A OE1 no hydrogen 2.689 N/A ALA 147.A N LYS 143.A O no hydrogen 2.903 N/A SER 148.A N SER 144.A O no hydrogen 2.882 N/A SER 148.A OG SER 144.A O no hydrogen 3.455 N/A LYS 149.A N ASP 145.A O no hydrogen 2.967 N/A VAL 150.A N ALA 146.A O no hydrogen 2.925 N/A MET 151.A N ALA 147.A O no hydrogen 2.907 N/A VAL 152.A N SER 148.A O no hydrogen 2.941 N/A GLU 153.A N LYS 149.A O no hydrogen 2.975 N/A LEU 154.A N VAL 150.A O no hydrogen 2.925 N/A LEU 155.A N MET 151.A O no hydrogen 2.809 N/A GLY 156.A N VAL 152.A O no hydrogen 2.949 N/A SER 157.A N GLU 153.A O no hydrogen 2.881 N/A SER 157.A OG LEU 154.A O no hydrogen 2.704 N/A TYR 158.A N LEU 154.A O no hydrogen 2.934 N/A TYR 158.A N LEU 155.A O no hydrogen 3.295 N/A THR 159.A N ASN 162.A OD1 no hydrogen 3.023 N/A THR 159.A OG1 ASP 161.A OD1 no hydrogen 2.289 N/A THR 159.A OG1 ASN 162.A OD1 no hydrogen 2.859 N/A ALA 163.A N GLU 160.A O no hydrogen 3.405 N/A SER 164.A OG ASP 161.A O no hydrogen 3.448 N/A GLN 165.A NE2 ASN 162.A O no hydrogen 3.372 N/A ALA 166.A N ASN 162.A O no hydrogen 2.935 N/A ARG 167.A N GLN 165.A O no hydrogen 3.094 N/A ARG 167.A NH2 PHE 197.A O no hydrogen 3.228 N/A ALA 170.A N ASP 169.A OD1 no hydrogen 2.797 N/A HIS 171.A N ARG 167.A O no hydrogen 2.615 N/A ARG 172.A N VAL 168.A O no hydrogen 2.927 N/A ARG 172.A NH1 GLU 136.A OE2 no hydrogen 3.494 N/A ARG 172.A NH2 GLU 136.A OE1 no hydrogen 3.452 N/A ARG 172.A NH2 GLU 136.A OE2 no hydrogen 2.790 N/A CYS 173.A N ASP 169.A O no hydrogen 2.951 N/A CYS 173.A SG TYR 135.A OH no hydrogen 3.128 N/A CYS 173.A SG ASP 169.A O no hydrogen 3.479 N/A ILE 174.A N ALA 170.A O no hydrogen 2.890 N/A VAL 175.A N HIS 171.A O no hydrogen 2.980 N/A ARG 176.A N ARG 172.A O no hydrogen 2.902 N/A ALA 177.A N CYS 173.A O no hydrogen 2.854 N/A LEU 178.A N ILE 174.A O no hydrogen 2.944 N/A LYS 179.A N VAL 175.A O no hydrogen 2.915 N/A LYS 179.A NZ LEU 235.A O no hydrogen 3.026 N/A LYS 179.A NZ GLN 238.A OE1 no hydrogen 2.556 N/A LYS 179.A NZ ASN 239.A OD1 no hydrogen 2.840 N/A ASN 182.A ND2 ASP 145.A OD1 no hydrogen 2.474 N/A LEU 189.A N PHE 186.A O no hydrogen 2.839 N/A LYS 193.A NZ LEU 155.A O no hydrogen 3.551 N/A LYS 196.A N LEU 192.A O no hydrogen 2.880 N/A PHE 197.A N LYS 193.A O no hydrogen 2.912 N/A LEU 198.A N PRO 194.A O no hydrogen 2.876 N/A ASP 205.A N LEU 202.A O no hydrogen 2.988 N/A LEU 206.A N ASP 205.A OD1 no hydrogen 2.521 N/A LEU 207.A N ILE 203.A O no hydrogen 2.907 N/A THR 208.A N HIS 204.A O no hydrogen 2.908 N/A THR 208.A OG1 HIS 204.A O no hydrogen 3.052 N/A THR 208.A OG1 ASP 205.A O no hydrogen 2.766 N/A ILE 209.A N ASP 205.A O no hydrogen 2.880 N/A PHE 210.A N LEU 206.A O no hydrogen 2.846 N/A VAL 211.A N LEU 207.A O no hydrogen 2.950 N/A SER 212.A N THR 208.A O no hydrogen 2.901 N/A SER 217.A OG LYS 214.A O no hydrogen 2.338 N/A TYR 218.A N LYS 214.A O no hydrogen 3.008 N/A TYR 218.A OH HIS 236.A ND1 no hydrogen 2.978 N/A VAL 219.A N LEU 215.A O no hydrogen 2.854 N/A LYS 220.A N ALA 216.A O no hydrogen 2.894 N/A PHE 221.A N SER 217.A O no hydrogen 3.018 N/A TYR 222.A N TYR 218.A O no hydrogen 2.917 N/A GLN 223.A N VAL 219.A O no hydrogen 2.872 N/A ASN 224.A N LYS 220.A O no hydrogen 2.878 N/A ASN 224.A N PHE 221.A O no hydrogen 3.259 N/A ASN 225.A N PHE 221.A O no hydrogen 3.028 N/A ASN 225.A ND2 ASN 224.A OD1 no hydrogen 2.392 N/A LYS 226.A NZ TYR 222.A O no hydrogen 3.211 N/A ILE 229.A N LYS 226.A O no hydrogen 3.136 N/A ASP 230.A N LYS 226.A O no hydrogen 2.992 N/A SER 231.A OG PHE 228.A O no hydrogen 2.724 N/A HIS 236.A ND1 TYR 218.A OH no hydrogen 2.978 N/A GLN 238.A NE2 LEU 178.A O no hydrogen 3.643 N/A ASN 239.A N LEU 235.A O no hydrogen 3.046 N/A MET 240.A N HIS 236.A O no hydrogen 2.813 N/A ALA 241.A N GLU 237.A O no hydrogen 2.948 N/A LYS 242.A N GLN 238.A O no hydrogen 2.910 N/A LYS 242.A NZ ALA 177.A O no hydrogen 3.079 N/A LYS 242.A NZ LEU 178.A O no hydrogen 2.836 N/A LYS 242.A NZ ASP 180.A O no hydrogen 2.693 N/A LYS 242.A NZ ALA 183.A O no hydrogen 3.132 N/A MET 243.A N ASN 239.A O no hydrogen 2.919 N/A ARG 244.A N MET 240.A O no hydrogen 2.853 N/A ARG 244.A NE LEU 267.A O no hydrogen 3.255 N/A ARG 244.A NH2 LEU 267.A O no hydrogen 2.958 N/A LEU 245.A N ALA 241.A O no hydrogen 2.971 N/A LEU 246.A N LYS 242.A O no hydrogen 2.940 N/A THR 247.A N MET 243.A O no hydrogen 2.893 N/A THR 247.A OG1 GLU 266.A OE2 no hydrogen 2.454 N/A PHE 248.A N ARG 244.A O no hydrogen 2.899 N/A MET 249.A N LEU 245.A O no hydrogen 2.947 N/A GLY 250.A N LEU 246.A O no hydrogen 2.923 N/A MET 251.A N THR 247.A O no hydrogen 2.934 N/A ALA 252.A N PHE 248.A O no hydrogen 2.857 N/A VAL 253.A N MET 249.A O no hydrogen 2.934 N/A GLU 254.A N GLY 250.A O no hydrogen 2.987 N/A ASN 255.A N MET 251.A O no hydrogen 2.887 N/A LYS 256.A N ALA 252.A O no hydrogen 3.211 N/A LYS 256.A NZ ALA 252.A O no hydrogen 2.836 N/A SER 259.A OG ASP 261.A OD1 no hydrogen 2.476 N/A SER 259.A OG ARG 296.A O no hydrogen 3.392 N/A PHE 260.A N ARG 296.A O no hydrogen 3.243 N/A THR 262.A N ASP 261.A OD1 no hydrogen 2.614 N/A MET 263.A N SER 259.A O no hydrogen 3.024 N/A GLN 264.A N PHE 260.A O no hydrogen 2.922 N/A GLN 265.A N ASP 261.A O no hydrogen 2.952 N/A GLN 265.A NE2 THR 262.A O no hydrogen 3.678 N/A GLN 265.A NE2 THR 262.A OG1 no hydrogen 3.428 N/A GLU 266.A N THR 262.A O no hydrogen 2.910 N/A LEU 267.A N MET 263.A O no hydrogen 2.927 N/A ALA 276.A N ASP 272.A O no hydrogen 2.974 N/A PHE 277.A N ASP 273.A O no hydrogen 2.820 N/A VAL 278.A N VAL 274.A O no hydrogen 2.947 N/A ILE 279.A N GLU 275.A O no hydrogen 2.895 N/A ASP 280.A N ALA 276.A O no hydrogen 2.947 N/A ALA 281.A N PHE 277.A O no hydrogen 2.915 N/A VAL 282.A N VAL 278.A O no hydrogen 2.980 N/A ARG 283.A N ILE 279.A O no hydrogen 2.935 N/A THR 284.A N ASP 280.A O no hydrogen 2.938 N/A THR 284.A OG1 ASP 280.A O no hydrogen 3.492 N/A THR 284.A OG1 ALA 281.A O no hydrogen 2.365 N/A LYS 285.A N ALA 281.A O no hydrogen 2.933 N/A TYR 288.A N HIS 302.A O no hydrogen 3.412 N/A LYS 290.A N VAL 299.A O no hydrogen 2.852 N/A ASP 292.A N LYS 297.A O no hydrogen 2.885 N/A THR 294.A OG1 GLN 295.A OE1 no hydrogen 2.545 N/A GLN 295.A N GLN 295.A OE1 no hydrogen 2.665 N/A ARG 296.A N GLN 293.A O no hydrogen 3.104 N/A ARG 296.A NH1 GLN 293.A O no hydrogen 2.364 N/A LYS 297.A N ASP 292.A O no hydrogen 2.892 N/A LYS 297.A NZ VAL 298.A O no hydrogen 3.234 N/A VAL 298.A N ILE 258.A O no hydrogen 2.612 N/A VAL 299.A N LYS 290.A O no hydrogen 2.932 N/A SER 301.A N TYR 288.A O no hydrogen 2.937 N/A SER 301.A OG TYR 288.A O no hydrogen 3.126 N/A SER 303.A OG MET 249.A O no hydrogen 3.455 N/A SER 303.A OG THR 304.A O no hydrogen 2.993 N/A ARG 306.A NH2 ALA 213.A O no hydrogen 3.547 N/A GLN 311.A N GLN 311.A OE1 no hydrogen 2.796 N/A GLN 312.A N GLN 311.A OE1 no hydrogen 3.349 N/A TRP 313.A N GLY 309.A O no hydrogen 3.012 N/A GLN 314.A N LYS 310.A O no hydrogen 2.843 N/A GLN 314.A NE2 GLN 311.A O no hydrogen 3.175 N/A GLN 315.A N GLN 311.A O no hydrogen 2.967 N/A GLN 315.A NE2 GLN 312.A O no hydrogen 3.339 N/A LEU 316.A N GLN 312.A O no hydrogen 2.959 N/A TYR 317.A N TRP 313.A O no hydrogen 2.887 N/A ASP 318.A N GLN 314.A O no hydrogen 2.927 N/A THR 319.A N GLN 315.A O no hydrogen 2.980 N/A THR 319.A OG1 GLN 315.A O no hydrogen 2.670 N/A THR 319.A OG1 LEU 316.A O no hydrogen 2.829 N/A LEU 320.A N LEU 316.A O no hydrogen 2.907 N/A ASN 321.A N TYR 317.A O no hydrogen 2.901 N/A ALA 322.A N ASP 318.A O no hydrogen 2.919 N/A TRP 323.A N THR 319.A O no hydrogen 2.945 N/A LYS 324.A N LEU 320.A O no hydrogen 2.836 N/A GLN 325.A N ASN 321.A O no hydrogen 2.949 N/A ASN 326.A N ALA 322.A O no hydrogen 2.978 N/A LEU 327.A N TRP 323.A O no hydrogen 2.914 N/A ASN 328.A N LYS 324.A O no hydrogen 2.880 N/A LYS 329.A N GLN 325.A O no hydrogen 2.930 N/A VAL 330.A N ASN 326.A O no hydrogen 3.006 N/A LYS 331.A N LEU 327.A O no hydrogen 2.903 N/A LYS 331.A NZ ASN 328.A OD1 no hydrogen 3.524 N/A ASN 332.A N ASN 328.A O no hydrogen 2.923 N/A SER 333.A N LYS 329.A O no hydrogen 2.972 N/A SER 333.A OG LYS 329.A O no hydrogen 3.284 N/A SER 333.A OG VAL 330.A O no hydrogen 2.420 N/A LEU 334.A N VAL 330.A O no hydrogen 3.000 N/A LEU 335.A N LYS 331.A O no hydrogen 2.889 N/A SER 336.A N ASN 332.A O no hydrogen 2.875 N/A SER 336.A OG ASN 332.A O no hydrogen 2.773 N/A SER 336.A OG SER 333.A O no hydrogen 2.628 N/A LEU 337.A N SER 333.A O no hydrogen 2.962 N/A SER 338.A N LEU 334.A O no hydrogen 2.922 N/A SER 338.A OG LEU 334.A O no hydrogen 3.428 N/A