Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mk6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A N PRO 353.A O no hydrogen 2.938 N/A SER 6.A N SER 93.A OG no hydrogen 3.008 N/A SER 6.A OG GLU 36.A OE1 no hydrogen 2.720 N/A TRP 8.A NE1 GLY 5.A O no hydrogen 2.748 N/A GLY 10.A N SER 21.A O no hydrogen 2.873 N/A ASP 12.A N LYS 19.A O no hydrogen 2.883 N/A ILE 13.A N THR 102.A O no hydrogen 2.810 N/A GLY 14.A N LEU 17.A O no hydrogen 2.835 N/A VAL 18.A N PHE 75.A O no hydrogen 2.762 N/A LYS 19.A N ASP 12.A O no hydrogen 2.883 N/A LYS 19.A NZ GLY 341.A O no hydrogen 2.921 N/A LEU 20.A N ILE 73.A O no hydrogen 2.852 N/A SER 21.A N GLY 10.A O no hydrogen 2.977 N/A SER 21.A OG HIS 71.A O no hydrogen 3.218 N/A TYR 22.A N HIS 71.A O no hydrogen 3.074 N/A PHE 23.A N TRP 8.A O no hydrogen 2.962 N/A GLU 24.A N ASN 69.A O no hydrogen 2.824 N/A ILE 26.A N ARG 67.A O no hydrogen 2.932 N/A GLU 32.A N GLU 32.A OE1 no hydrogen 2.884 N/A GLN 34.A N ALA 30.A O no hydrogen 3.035 N/A GLU 35.A N GLU 31.A O no hydrogen 2.901 N/A GLU 36.A N GLU 32.A O no hydrogen 2.959 N/A VAL 37.A N GLU 33.A O no hydrogen 3.009 N/A GLU 38.A N GLN 34.A O no hydrogen 3.110 N/A SER 39.A N GLU 35.A O no hydrogen 2.947 N/A SER 39.A OG GLU 35.A O no hydrogen 3.182 N/A LEU 40.A N GLU 36.A O no hydrogen 3.133 N/A LYS 41.A N VAL 37.A O no hydrogen 3.226 N/A SER 42.A N GLU 38.A O no hydrogen 3.160 N/A SER 42.A OG GLU 38.A O no hydrogen 3.240 N/A ILE 43.A N SER 39.A O no hydrogen 2.747 N/A ARG 44.A N LEU 40.A O no hydrogen 2.765 N/A ARG 44.A NE TYR 22.A OH no hydrogen 2.968 N/A LYS 45.A N LYS 41.A O no hydrogen 2.948 N/A TYR 46.A N SER 42.A O no hydrogen 3.028 N/A LEU 47.A N ILE 43.A O no hydrogen 2.988 N/A THR 48.A N ARG 44.A O no hydrogen 3.073 N/A THR 48.A OG1 ARG 44.A O no hydrogen 2.801 N/A SER 49.A N TYR 46.A O no hydrogen 3.131 N/A SER 49.A OG LYS 45.A O no hydrogen 2.549 N/A SER 49.A OG TYR 46.A O no hydrogen 3.303 N/A HIS 55.A N ILE 51.A O no hydrogen 3.068 N/A LEU 56.A N ARG 52.A O no hydrogen 3.163 N/A LEU 56.A N ASP 53.A O no hydrogen 3.136 N/A GLU 57.A N VAL 54.A O no hydrogen 2.992 N/A LEU 58.A N LEU 70.A O no hydrogen 2.834 N/A LYS 59.A N ASN 141.A OD1 no hydrogen 2.547 N/A LYS 59.A NZ GLU 57.A OE1 no hydrogen 3.368 N/A ASP 60.A N ASN 69.A OD1 no hydrogen 2.974 N/A LEU 61.A N GLY 68.A O no hydrogen 2.760 N/A LEU 63.A N ARG 66.A O no hydrogen 2.875 N/A ARG 66.A N LEU 63.A O no hydrogen 2.917 N/A ARG 66.A NH1 GLU 33.A OE1 no hydrogen 3.499 N/A ARG 66.A NH1 GLU 33.A OE2 no hydrogen 2.777 N/A ARG 66.A NH2 ASP 27.A O no hydrogen 3.101 N/A ARG 66.A NH2 GLU 33.A OE1 no hydrogen 2.963 N/A ARG 67.A NE ASP 27.A OD2 no hydrogen 2.972 N/A ARG 67.A NH2 ASP 27.A OD1 no hydrogen 2.953 N/A GLY 68.A N LEU 61.A O no hydrogen 2.917 N/A ASN 69.A N GLU 24.A O no hydrogen 2.895 N/A ASN 69.A ND2 GLU 24.A OE1 no hydrogen 2.954 N/A LEU 70.A N LEU 58.A O no hydrogen 2.787 N/A HIS 71.A N TYR 22.A O no hydrogen 2.855 N/A HIS 71.A NE2 GLU 24.A OE1 no hydrogen 2.803 N/A ILE 73.A N LEU 20.A O no hydrogen 2.870 N/A ARG 74.A NE ASP 53.A OD2 no hydrogen 3.293 N/A ARG 74.A NH2 ASP 53.A OD1 no hydrogen 3.210 N/A PHE 75.A N VAL 18.A O no hydrogen 3.013 N/A THR 77.A N THR 16.A O no hydrogen 2.961 N/A THR 77.A OG1 GLY 14.A O no hydrogen 3.329 N/A ASP 79.A N PRO 76.A O no hydrogen 2.936 N/A LEU 80.A N THR 77.A O no hydrogen 2.918 N/A PHE 83.A N ASP 79.A O no hydrogen 3.223 N/A ILE 84.A N LEU 80.A O no hydrogen 2.977 N/A GLN 85.A N PRO 81.A O no hydrogen 2.869 N/A GLN 85.A NE2 GLN 85.A O no hydrogen 3.208 N/A GLN 85.A NE2 ASP 89.A OD1 no hydrogen 2.654 N/A MET 86.A N THR 82.A O no hydrogen 2.741 N/A GLY 87.A N PHE 83.A O no hydrogen 3.013 N/A ARG 88.A N ILE 84.A O no hydrogen 3.005 N/A ARG 88.A NH2 PHE 113.A O no hydrogen 2.920 N/A ASP 89.A N GLN 85.A O no hydrogen 2.851 N/A LYS 90.A N MET 86.A O no hydrogen 2.934 N/A ASN 91.A N ARG 88.A O no hydrogen 3.294 N/A PHE 92.A N GLY 87.A O no hydrogen 2.970 N/A SER 93.A OG SER 6.A O no hydrogen 3.287 N/A THR 94.A N SER 6.A O no hydrogen 3.285 N/A THR 94.A OG1 PRO 7.A O no hydrogen 2.807 N/A LEU 95.A N PHE 92.A O no hydrogen 3.084 N/A LEU 99.A N HIS 118.A O no hydrogen 2.776 N/A CYS 100.A SG GLY 351.A O no hydrogen 3.995 N/A ALA 101.A N HIS 120.A O no hydrogen 3.084 N/A THR 102.A N MET 11.A O no hydrogen 3.075 N/A THR 102.A OG1 LEU 122.A O no hydrogen 2.905 N/A GLY 105.A N ILE 13.A O no hydrogen 2.804 N/A ALA 106.A N GLY 103.A O no hydrogen 3.199 N/A PHE 109.A N GLY 105.A O no hydrogen 3.291 N/A PHE 109.A N ALA 106.A O no hydrogen 3.099 N/A GLU 110.A N ALA 106.A O no hydrogen 3.247 N/A ASP 112.A N PHE 109.A O no hydrogen 3.165 N/A LEU 117.A N PHE 113.A O no hydrogen 3.020 N/A HIS 118.A N THR 97.A O no hydrogen 3.168 N/A HIS 120.A N LEU 99.A O no hydrogen 2.715 N/A LEU 122.A N ALA 101.A O no hydrogen 2.785 N/A ASP 126.A N ASP 123.A OD1 no hydrogen 2.849 N/A CYS 127.A N ASP 123.A O no hydrogen 2.922 N/A CYS 127.A SG ASP 123.A O no hydrogen 3.329 N/A LEU 128.A N GLU 124.A O no hydrogen 2.801 N/A VAL 129.A N LEU 125.A O no hydrogen 3.026 N/A LYS 130.A N ASP 126.A O no hydrogen 3.031 N/A LYS 130.A NZ GLY 347.A O no hydrogen 2.976 N/A GLY 131.A N CYS 127.A O no hydrogen 2.805 N/A LEU 132.A N LEU 128.A O no hydrogen 2.858 N/A LEU 133.A N VAL 129.A O no hydrogen 3.076 N/A TYR 134.A N LYS 130.A O no hydrogen 3.103 N/A TYR 134.A OH THR 62.A O no hydrogen 2.789 N/A ILE 135.A N GLY 131.A O no hydrogen 2.965 N/A ASP 136.A N LEU 132.A O no hydrogen 2.994 N/A SER 137.A N LEU 133.A O no hydrogen 3.266 N/A SER 137.A OG TYR 134.A O no hydrogen 2.784 N/A VAL 138.A N TYR 134.A O no hydrogen 3.276 N/A VAL 138.A N ILE 135.A O no hydrogen 3.342 N/A SER 139.A N ILE 135.A O no hydrogen 3.351 N/A SER 139.A OG VAL 138.A O no hydrogen 2.683 N/A PHE 140.A N GLN 143.A O no hydrogen 2.888 N/A ASN 141.A ND2 GLU 57.A O no hydrogen 3.110 N/A GLY 142.A N SER 139.A OG no hydrogen 3.194 N/A CYS 146.A SG PHE 336.A O no hydrogen 3.608 N/A TYR 147.A N PHE 336.A O no hydrogen 2.811 N/A TYR 148.A N MET 161.A O no hydrogen 2.857 N/A ALA 150.A N GLN 159.A O no hydrogen 2.721 N/A GLU 154.A N ASN 151.A O no hydrogen 2.978 N/A ARG 157.A N GLU 154.A O no hydrogen 2.852 N/A CYS 158.A N GLU 154.A O no hydrogen 2.805 N/A CYS 158.A SG PRO 155.A O no hydrogen 3.654 N/A GLN 159.A N ALA 150.A O no hydrogen 2.916 N/A LYS 160.A NZ GLU 338.A OE1 no hydrogen 2.727 N/A LYS 160.A NZ GLU 338.A OE2 no hydrogen 3.428 N/A MET 161.A N TYR 148.A O no hydrogen 2.808 N/A PHE 163.A N CYS 146.A O no hydrogen 2.787 N/A LEU 171.A N VAL 185.A O no hydrogen 2.912 N/A LEU 172.A N ARG 302.A O no hydrogen 2.881 N/A VAL 173.A N LEU 183.A O no hydrogen 2.867 N/A VAL 174.A N VAL 304.A O no hydrogen 2.700 N/A ASN 175.A N SER 181.A O no hydrogen 2.824 N/A ILE 176.A N VAL 306.A O no hydrogen 2.778 N/A GLY 177.A N GLY 179.A O no hydrogen 2.951 N/A VAL 180.A N THR 197.A O no hydrogen 2.767 N/A SER 181.A N ASN 175.A O no hydrogen 3.041 N/A ILE 182.A N THR 195.A O no hydrogen 2.900 N/A LEU 183.A N VAL 173.A O no hydrogen 2.925 N/A ALA 184.A N LYS 192.A O no hydrogen 2.751 N/A VAL 185.A N LEU 171.A O no hydrogen 2.804 N/A HIS 186.A N ASN 190.A O no hydrogen 2.916 N/A SER 187.A N ASN 190.A O no hydrogen 3.333 N/A ASN 190.A N SER 187.A O no hydrogen 3.356 N/A TYR 191.A OH ASP 126.A OD1 no hydrogen 2.503 N/A LYS 192.A N ALA 184.A O no hydrogen 2.970 N/A ARG 193.A NE SER 181.A OG no hydrogen 2.878 N/A VAL 194.A N ILE 182.A O no hydrogen 2.761 N/A THR 195.A N ILE 182.A O no hydrogen 3.485 N/A THR 195.A OG1 GLY 196.A O no hydrogen 3.537 N/A GLY 196.A N THR 195.A OG1 no hydrogen 2.817 N/A THR 197.A N VAL 180.A O no hydrogen 2.876 N/A LEU 199.A N THR 197.A OG1 no hydrogen 3.113 N/A GLY 200.A N SER 198.A O no hydrogen 3.241 N/A GLY 200.A N THR 203.A OG1 no hydrogen 3.238 N/A GLY 201.A N GLY 177.A O no hydrogen 2.852 N/A GLY 202.A N SER 178.A O no hydrogen 2.888 N/A THR 203.A OG1 SER 198.A O no hydrogen 3.002 N/A PHE 204.A N GLY 200.A O no hydrogen 3.153 N/A LEU 205.A N GLY 201.A O no hydrogen 2.936 N/A GLY 206.A N GLY 202.A O no hydrogen 2.754 N/A LEU 207.A N THR 203.A O no hydrogen 2.977 N/A CYS 208.A N PHE 204.A O no hydrogen 2.920 N/A CYS 208.A SG PHE 204.A O no hydrogen 3.300 N/A SER 209.A N LEU 205.A O no hydrogen 2.871 N/A SER 209.A OG LEU 205.A O no hydrogen 3.049 N/A SER 209.A OG CYS 214.A O no hydrogen 3.354 N/A LEU 210.A N GLY 206.A O no hydrogen 3.130 N/A LEU 211.A N LEU 207.A O no hydrogen 2.792 N/A THR 212.A N CYS 208.A O no hydrogen 2.759 N/A THR 212.A OG1 CYS 208.A O no hydrogen 2.857 N/A GLY 213.A N SER 209.A O no hydrogen 3.079 N/A CYS 214.A N THR 212.A OG1 no hydrogen 3.274 N/A CYS 214.A SG THR 212.A OG1 no hydrogen 3.540 N/A GLU 215.A N GLU 219.A OE2 no hydrogen 3.002 N/A GLU 218.A N GLU 218.A OE1 no hydrogen 2.826 N/A GLU 219.A N SER 216.A OG no hydrogen 2.938 N/A ALA 220.A N SER 216.A O no hydrogen 3.038 N/A LEU 221.A N PHE 217.A O no hydrogen 2.978 N/A GLU 222.A N GLU 218.A O no hydrogen 3.010 N/A MET 223.A N GLU 219.A O no hydrogen 2.925 N/A ALA 224.A N ALA 220.A O no hydrogen 2.896 N/A SER 225.A N LEU 221.A O no hydrogen 2.938 N/A SER 225.A OG GLU 222.A O no hydrogen 2.682 N/A LYS 226.A N MET 223.A O no hydrogen 3.093 N/A LYS 226.A NZ GLU 222.A OE2 no hydrogen 2.653 N/A GLY 227.A N ALA 224.A O no hydrogen 3.198 N/A ASP 228.A N ASP 274.A OD1 no hydrogen 2.585 N/A THR 230.A N ASP 228.A OD1 no hydrogen 3.003 N/A THR 230.A OG1 ASP 228.A OD1 no hydrogen 2.680 N/A THR 230.A OG1 ASP 228.A OD2 no hydrogen 3.016 N/A GLN 231.A N ASP 228.A O no hydrogen 3.160 N/A GLN 231.A NE2 ASP 228.A OD2 no hydrogen 3.484 N/A ALA 232.A N SER 229.A O no hydrogen 2.871 N/A ASP 233.A N SER 229.A O no hydrogen 2.959 N/A LYS 234.A N SER 256.A O no hydrogen 2.909 N/A LYS 234.A NZ TYR 263.A OH no hydrogen 3.110 N/A LEU 235.A N ASP 238.A OD2 no hydrogen 2.817 N/A VAL 236.A N ALA 253.A O no hydrogen 2.910 N/A ARG 237.A N GLY 251.A O no hydrogen 2.844 N/A ASP 238.A N LEU 235.A O no hydrogen 2.882 N/A ILE 239.A N VAL 236.A O no hydrogen 3.162 N/A TYR 240.A N VAL 236.A O no hydrogen 3.010 N/A GLY 241.A N ARG 237.A O no hydrogen 2.657 N/A TYR 244.A N LEU 249.A O no hydrogen 2.959 N/A ARG 246.A NH1 ARG 246.A O no hydrogen 3.229 N/A GLY 248.A N GLU 245.A O no hydrogen 3.334 N/A LEU 249.A N TYR 244.A O no hydrogen 3.324 N/A GLY 251.A N ASP 243.A OD1 no hydrogen 2.631 N/A ALA 253.A N PRO 250.A O no hydrogen 3.172 N/A ALA 255.A N LYS 234.A O no hydrogen 2.881 N/A SER 256.A N LYS 234.A O no hydrogen 2.907 N/A SER 257.A OG THR 282.A OG1 no hydrogen 3.337 N/A PHE 258.A N ASP 233.A OD1 no hydrogen 2.652 N/A GLY 259.A N SER 256.A O no hydrogen 2.795 N/A ASN 260.A N ALA 232.A O no hydrogen 2.973 N/A MET 261.A N PHE 258.A O no hydrogen 2.922 N/A TYR 263.A N ASN 260.A O no hydrogen 3.188 N/A ARG 267.A N TYR 263.A O no hydrogen 2.949 N/A ARG 267.A NH1 MET 261.A O no hydrogen 2.791 N/A GLU 268.A N LYS 264.A O no hydrogen 3.011 N/A SER 269.A N LYS 266.A O no hydrogen 3.387 N/A SER 269.A OG GLU 265.A O no hydrogen 3.120 N/A SER 269.A OG LYS 266.A O no hydrogen 3.398 N/A VAL 270.A N LYS 266.A O no hydrogen 3.154 N/A LYS 272.A NZ THR 212.A O no hydrogen 3.193 N/A GLU 273.A N GLU 273.A OE1 no hydrogen 2.845 N/A ASP 274.A N SER 271.A OG no hydrogen 3.032 N/A LEU 275.A N SER 271.A O no hydrogen 3.082 N/A ALA 276.A N LYS 272.A O no hydrogen 2.880 N/A ARG 277.A N GLU 273.A O no hydrogen 2.852 N/A ARG 277.A NH1 ALA 224.A O no hydrogen 3.033 N/A ALA 278.A N ASP 274.A O no hydrogen 2.881 N/A THR 279.A N LEU 275.A O no hydrogen 2.925 N/A THR 279.A OG1 LEU 275.A O no hydrogen 2.775 N/A LEU 280.A N ALA 276.A O no hydrogen 3.049 N/A VAL 281.A N ARG 277.A O no hydrogen 2.879 N/A THR 282.A N ALA 278.A O no hydrogen 2.914 N/A THR 282.A OG1 ALA 278.A O no hydrogen 2.669 N/A ILE 283.A N THR 279.A O no hydrogen 3.133 N/A THR 284.A N LEU 280.A O no hydrogen 2.881 N/A THR 284.A OG1 LEU 280.A O no hydrogen 3.087 N/A THR 284.A OG1 VAL 281.A O no hydrogen 3.257 N/A ASN 285.A N VAL 281.A O no hydrogen 2.732 N/A ASN 286.A N THR 282.A O no hydrogen 3.042 N/A ILE 287.A N ILE 283.A O no hydrogen 2.913 N/A GLY 288.A N THR 284.A O no hydrogen 2.962 N/A SER 289.A N ASN 285.A O no hydrogen 3.158 N/A VAL 290.A N ASN 286.A O no hydrogen 2.996 N/A ALA 291.A N ILE 287.A O no hydrogen 2.770 N/A ARG 292.A N GLY 288.A O no hydrogen 2.929 N/A MET 293.A N SER 289.A O no hydrogen 2.929 N/A CYS 294.A N VAL 290.A O no hydrogen 2.901 N/A CYS 294.A SG.A VAL 290.A O no hydrogen 3.354 N/A ALA 295.A N ALA 291.A O no hydrogen 2.844 N/A VAL 296.A N ARG 292.A O no hydrogen 3.083 N/A ASN 297.A N MET 293.A O no hydrogen 2.998 N/A GLU 298.A N CYS 294.A O no hydrogen 2.769 N/A LYS 299.A N VAL 296.A O no hydrogen 3.154 N/A ILE 300.A N ALA 295.A O no hydrogen 2.872 N/A ARG 302.A NH2 PRO 168.A O no hydrogen 2.286 N/A VAL 304.A N LEU 172.A O no hydrogen 2.777 N/A PHE 305.A N LEU 335.A O no hydrogen 2.865 N/A VAL 306.A N VAL 174.A O no hydrogen 2.969 N/A GLY 307.A N GLU 340.A OE2 no hydrogen 2.819 N/A PHE 309.A N ILE 176.A O no hydrogen 3.201 N/A LEU 310.A N GLY 307.A O no hydrogen 3.061 N/A ARG 311.A N ASN 308.A O no hydrogen 3.317 N/A ARG 311.A NE GLU 340.A OE1 no hydrogen 2.713 N/A ARG 311.A NE GLU 340.A OE2 no hydrogen 3.248 N/A ARG 311.A NH2 GLU 340.A OE2 no hydrogen 2.759 N/A SER 316.A OG PHE 309.A O no hydrogen 3.083 N/A LYS 318.A N THR 314.A O no hydrogen 3.077 N/A LEU 319.A N LEU 315.A O no hydrogen 3.024 N/A LEU 320.A N SER 316.A O no hydrogen 2.972 N/A ALA 321.A N MET 317.A O no hydrogen 2.880 N/A TYR 322.A N LYS 318.A O no hydrogen 2.890 N/A ALA 323.A N LEU 319.A O no hydrogen 2.925 N/A LEU 324.A N LEU 320.A O no hydrogen 2.869 N/A ASP 325.A N ALA 321.A O no hydrogen 2.989 N/A TYR 326.A N TYR 322.A O no hydrogen 3.025 N/A TRP 327.A N ALA 323.A O no hydrogen 2.991 N/A TRP 327.A NE1 ASN 285.A O no hydrogen 2.750 N/A SER 328.A N LEU 324.A O no hydrogen 2.974 N/A SER 328.A OG LEU 324.A O no hydrogen 2.818 N/A SER 328.A OG ASP 325.A O no hydrogen 3.447 N/A SER 328.A OG LEU 332.A O no hydrogen 3.555 N/A LYS 329.A N TYR 326.A O no hydrogen 3.210 N/A GLY 330.A N ASP 325.A O no hydrogen 2.721 N/A GLN 331.A N SER 328.A O no hydrogen 3.079 N/A LEU 332.A N SER 328.A OG no hydrogen 2.881 N/A LEU 335.A N VAL 303.A O no hydrogen 2.962 N/A PHE 336.A N TYR 147.A O no hydrogen 2.888 N/A GLU 338.A N GLU 145.A O no hydrogen 2.745 N/A HIS 339.A N GLU 145.A OE2 no hydrogen 2.842 N/A HIS 339.A ND1 GLU 145.A OE1 no hydrogen 2.596 N/A HIS 339.A NE2 LEU 56.A O no hydrogen 2.666 N/A GLU 340.A N LEU 337.A O no hydrogen 3.292 N/A TYR 342.A N HIS 339.A O no hydrogen 2.934 N/A TYR 342.A OH ASP 53.A OD2 no hydrogen 2.803 N/A VAL 346.A N TYR 342.A O no hydrogen 2.971 N/A GLY 347.A N PHE 343.A O no hydrogen 2.865 N/A ALA 348.A N GLY 344.A O no hydrogen 2.878 N/A LEU 349.A N ALA 345.A O no hydrogen 2.990 N/A LEU 350.A N VAL 346.A O no hydrogen 2.977 N/A GLY 351.A N GLY 347.A O no hydrogen 2.995 N/A GLY 351.A N ALA 348.A O no hydrogen 3.007 N/A LEU 352.A N LEU 349.A O no hydrogen 3.144 N/A