Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4atn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N PRO 49.A O no hydrogen 2.757 N/A MET 1.A N ASP 50.A OD1 no hydrogen 3.348 N/A LYS 3.A NZ GLU 75.A OE1 no hydrogen 3.522 N/A LYS 3.A NZ GLU 75.A OE2 no hydrogen 2.874 N/A VAL 4.A N TYR 44.A O no hydrogen 2.880 N/A VAL 5.A N PHE 71.A O no hydrogen 2.834 N/A LEU 6.A N VAL 42.A O no hydrogen 2.809 N/A LEU 7.A N GLN 69.A O no hydrogen 2.913 N/A CYS 8.A N GLY 40.A O no hydrogen 3.051 N/A CYS 8.A SG ARG 9.A O no hydrogen 3.673 N/A ARG 9.A NH1 TYR 341.A O no hydrogen 3.381 N/A GLY 11.A N GLU 13.A OE1 no hydrogen 3.054 N/A GLY 11.A N GLU 13.A OE2 no hydrogen 2.896 N/A PHE 12.A N ARG 9.A O no hydrogen 2.934 N/A LYS 14.A NZ GLU 15.A OE1 no hydrogen 3.099 N/A LYS 14.A NZ GLU 15.A OE2 no hydrogen 3.064 N/A GLU 15.A N GLU 15.A OE1 no hydrogen 2.763 N/A CYS 16.A N PHE 12.A O no hydrogen 2.966 N/A CYS 16.A SG PHE 66.A O no hydrogen 4.024 N/A ALA 17.A N GLU 13.A O no hydrogen 2.778 N/A ALA 18.A N LYS 14.A O no hydrogen 2.837 N/A GLU 19.A N GLU 15.A O no hydrogen 2.875 N/A ILE 20.A N CYS 16.A O no hydrogen 3.094 N/A THR 21.A N ALA 17.A O no hydrogen 3.085 N/A THR 21.A OG1 ALA 17.A O no hydrogen 2.783 N/A ASP 22.A N ALA 18.A O no hydrogen 3.007 N/A LYS 23.A N GLU 19.A O no hydrogen 2.890 N/A LYS 23.A NZ GLU 19.A OE2 no hydrogen 2.790 N/A LYS 23.A NZ SER 63.A O no hydrogen 2.856 N/A ALA 24.A N ILE 20.A O no hydrogen 2.889 N/A GLY 25.A N THR 21.A O no hydrogen 2.926 N/A GLN 26.A N ASP 22.A O no hydrogen 2.965 N/A ARG 27.A N ALA 24.A O no hydrogen 2.926 N/A GLU 28.A N GLY 25.A O no hydrogen 2.905 N/A ILE 29.A N ALA 24.A O no hydrogen 2.956 N/A PHE 32.A N GLU 45.A O no hydrogen 3.080 N/A ASN 38.A N GLU 13.A OE1 no hydrogen 2.943 N/A ALA 39.A N LYS 36.A O no hydrogen 3.050 N/A GLY 40.A N GLU 13.A OE2 no hydrogen 2.826 N/A VAL 42.A N LEU 6.A O no hydrogen 2.977 N/A TYR 44.A N VAL 4.A O no hydrogen 2.835 N/A TYR 44.A OH ILE 29.A O no hydrogen 2.776 N/A GLU 45.A N PHE 32.A O no hydrogen 2.792 N/A CYS 46.A N ASN 2.A O no hydrogen 2.743 N/A CYS 46.A SG ASN 2.A O no hydrogen 3.310 N/A TYR 47.A N PHE 30.A O no hydrogen 2.897 N/A ASP 51.A N GLN 48.A O no hydrogen 3.159 N/A GLY 52.A N MET 1.A O no hydrogen 2.971 N/A LYS 54.A NZ GLU 58.A OE1 no hydrogen 3.192 N/A LEU 55.A N ASP 51.A O no hydrogen 2.756 N/A ILE 56.A N GLY 52.A O no hydrogen 3.242 N/A ARG 57.A N ASP 53.A O no hydrogen 3.164 N/A ARG 57.A N LYS 54.A O no hydrogen 3.292 N/A ARG 57.A NH1 TYR 163.A OH no hydrogen 3.536 N/A GLU 58.A N LYS 54.A O no hydrogen 2.995 N/A LEU 59.A N LEU 55.A O no hydrogen 3.103 N/A SER 63.A N PRO 60.A O no hydrogen 2.986 N/A SER 63.A OG PRO 60.A O no hydrogen 2.795 N/A LEU 64.A N PHE 61.A O no hydrogen 3.037 N/A ILE 65.A N GLU 19.A OE1 no hydrogen 3.117 N/A ILE 65.A N GLU 19.A OE2 no hydrogen 2.550 N/A PHE 66.A N GLU 19.A OE1 no hydrogen 2.920 N/A ARG 68.A N LEU 7.A O no hydrogen 2.762 N/A ARG 68.A NH1 ASP 109.A OD2 no hydrogen 2.778 N/A TRP 70.A NE1 ASN 166.A O no hydrogen 2.950 N/A PHE 71.A N VAL 5.A O no hydrogen 3.028 N/A VAL 72.A N TYR 161.A O no hydrogen 2.897 N/A VAL 73.A N LYS 3.A O no hydrogen 2.849 N/A GLY 74.A N THR 159.A O no hydrogen 3.071 N/A LEU 77.A N CYS 157.A O no hydrogen 2.860 N/A LEU 80.A N GLY 156.A O no hydrogen 2.942 N/A GLU 83.A N GLU 83.A OE1 no hydrogen 2.734 N/A ASP 84.A N PRO 81.A O no hydrogen 2.935 N/A THR 87.A OG1 ASP 84.A OD1 no hydrogen 3.508 N/A VAL 90.A N ILE 86.A O no hydrogen 3.005 N/A GLY 91.A N THR 87.A O no hydrogen 2.886 N/A MET 92.A N PRO 88.A O no hydrogen 3.180 N/A LEU 93.A N ILE 89.A O no hydrogen 3.190 N/A LEU 93.A N VAL 90.A O no hydrogen 3.174 N/A GLN 94.A N VAL 90.A O no hydrogen 2.885 N/A VAL 96.A N LEU 93.A O no hydrogen 2.854 N/A VAL 97.A N LEU 93.A O no hydrogen 3.257 N/A LYS 99.A N GLY 135.A O no hydrogen 3.010 N/A GLY 100.A N VAL 136.A O no hydrogen 2.808 N/A GLY 101.A N PRO 146.A O no hydrogen 2.818 N/A ARG 104.A N VAL 148.A O no hydrogen 2.856 N/A ARG 104.A NE GLU 102.A OE2 no hydrogen 2.934 N/A ARG 104.A NH1 SER 168.A O no hydrogen 2.868 N/A ARG 104.A NH2 GLU 102.A OE1 no hydrogen 2.996 N/A ARG 104.A NH2 GLU 102.A OE2 no hydrogen 3.531 N/A GLU 106.A N VAL 150.A O no hydrogen 2.976 N/A SER 113.A N THR 110.A O no hydrogen 3.298 N/A SER 113.A N THR 110.A OG1 no hydrogen 3.229 N/A LYS 114.A N ASN 111.A O no hydrogen 3.125 N/A LEU 117.A N SER 113.A O no hydrogen 2.737 N/A LYS 118.A N LYS 114.A O no hydrogen 3.480 N/A PHE 119.A N GLU 115.A O no hydrogen 3.231 N/A CYS 120.A N LEU 116.A O no hydrogen 2.885 N/A CYS 120.A SG LEU 116.A O no hydrogen 3.431 N/A ARG 121.A N LEU 117.A O no hydrogen 2.969 N/A LYS 122.A N LYS 118.A O no hydrogen 3.287 N/A LYS 122.A N PHE 119.A O no hydrogen 3.226 N/A PHE 123.A N PHE 119.A O no hydrogen 2.763 N/A THR 124.A N CYS 120.A O no hydrogen 3.056 N/A THR 124.A OG1 CYS 120.A O no hydrogen 2.741 N/A VAL 125.A N LYS 122.A O no hydrogen 3.143 N/A LEU 127.A N PHE 123.A O no hydrogen 2.972 N/A ARG 128.A N THR 124.A O no hydrogen 2.860 N/A ALA 129.A N VAL 125.A O no hydrogen 3.270 N/A ALA 130.A N PRO 126.A O no hydrogen 3.162 N/A LEU 131.A N LEU 127.A O no hydrogen 2.883 N/A ARG 132.A N ARG 128.A O no hydrogen 2.978 N/A ARG 132.A NE ALA 138.A O no hydrogen 3.076 N/A ASP 133.A N ALA 129.A O no hydrogen 3.004 N/A ALA 134.A N ALA 130.A O no hydrogen 2.883 N/A GLY 135.A N ARG 132.A O no hydrogen 3.132 N/A VAL 136.A N LEU 131.A O no hydrogen 2.824 N/A LEU 137.A N LEU 131.A O no hydrogen 3.216 N/A ALA 138.A N GLY 100.A O no hydrogen 2.843 N/A THR 142.A N GLY 101.A O no hydrogen 3.116 N/A THR 142.A OG1 TYR 140.A O no hydrogen 2.919 N/A ARG 145.A NE LYS 99.A O no hydrogen 2.893 N/A ARG 145.A NH2 GLU 98.A O no hydrogen 2.998 N/A VAL 147.A N SER 162.A O no hydrogen 2.844 N/A VAL 148.A N GLU 102.A O no hydrogen 2.790 N/A HIS 149.A N GLY 160.A O no hydrogen 2.946 N/A VAL 150.A N ARG 104.A O no hydrogen 2.949 N/A PHE 151.A N TYR 158.A O no hydrogen 2.791 N/A PHE 152.A N GLU 106.A O no hydrogen 3.007 N/A TYR 158.A N PHE 151.A O no hydrogen 2.891 N/A GLY 160.A N HIS 149.A O no hydrogen 2.978 N/A TYR 161.A N VAL 72.A O no hydrogen 2.979 N/A TYR 161.A OH ASP 53.A OD1 no hydrogen 2.463 N/A SER 162.A N VAL 147.A O no hydrogen 2.957 N/A SER 162.A OG ASN 167.A OD1 no hydrogen 2.780 N/A TYR 163.A OH ASP 53.A OD1 no hydrogen 2.623 N/A SER 164.A OG PRO 143.A O no hydrogen 2.693 N/A SER 164.A OG ARG 145.A O no hydrogen 3.474 N/A ASN 166.A N TYR 163.A O no hydrogen 3.023 N/A PHE 170.A N SER 168.A OG no hydrogen 3.096 N/A TYR 171.A OH VAL 105.A O no hydrogen 2.667 N/A MET 172.A N GLU 106.A OE2 no hydrogen 2.758 N/A GLY 173.A N PHE 170.A O no hydrogen 2.887 N/A ILE 174.A N TYR 171.A O no hydrogen 2.988 N/A ALA 183.A N PRO 180.A O no hydrogen 3.027 N/A SER 185.A OG.A SER 187.A OG no hydrogen 2.747 N/A SER 185.A OG.B SER 187.A OG no hydrogen 3.175 N/A SER 187.A N SER 185.A OG.B no hydrogen 3.117 N/A SER 187.A OG SER 185.A OG.A no hydrogen 2.747 N/A SER 187.A OG SER 185.A OG.B no hydrogen 3.175 N/A THR 188.A N SER 185.A O no hydrogen 3.319 N/A THR 188.A OG1 GLY 223.A O no hydrogen 2.633 N/A THR 188.A OG1 GLN 227.A OE1 no hydrogen 2.965 N/A LEU 189.A N ARG 186.A O no hydrogen 3.045 N/A LYS 190.A N SER 187.A O no hydrogen 2.908 N/A LYS 190.A NZ ASP 276.A OD1 no hydrogen 3.351 N/A LYS 190.A NZ ASP 276.A OD2 no hydrogen 3.138 N/A LYS 190.A NZ GLU 346.A OE1 no hydrogen 3.027 N/A GLU 192.A N THR 188.A O no hydrogen 3.057 N/A GLU 193.A N LEU 189.A O no hydrogen 2.835 N/A ALA 194.A N LYS 190.A O no hydrogen 2.977 N/A PHE 195.A N LEU 191.A O no hydrogen 2.924 N/A HIS 196.A N GLU 192.A O no hydrogen 3.201 N/A VAL 197.A N GLU 193.A O no hydrogen 2.791 N/A PHE 198.A N ALA 194.A O no hydrogen 2.832 N/A ILE 199.A N PHE 195.A O no hydrogen 3.065 N/A GLU 203.A N PRO 200.A O no hydrogen 2.749 N/A TRP 204.A N ALA 201.A O no hydrogen 3.363 N/A TRP 204.A NE1 ILE 199.A O no hydrogen 2.957 N/A GLU 206.A N GLU 203.A O no hydrogen 3.173 N/A ARG 207.A N GLU 203.A O no hydrogen 2.820 N/A ARG 207.A NE GLU 299.A OE2 no hydrogen 2.978 N/A ARG 207.A NH1 GLU 203.A OE1 no hydrogen 2.957 N/A ARG 207.A NH2 GLU 299.A OE1 no hydrogen 2.819 N/A LEU 208.A N TRP 204.A O no hydrogen 2.750 N/A GLY 211.A N ASN 232.A O no hydrogen 2.673 N/A MET 212.A N ALA 209.A O no hydrogen 3.103 N/A ALA 214.A N TRP 234.A O no hydrogen 2.809 N/A VAL 215.A N TRP 272.A O no hydrogen 2.843 N/A ASP 216.A N TYR 236.A O no hydrogen 2.868 N/A LEU 217.A N VAL 274.A O no hydrogen 2.948 N/A GLY 218.A N VAL 238.A O no hydrogen 2.749 N/A ALA 219.A N VAL 238.A O no hydrogen 3.167 N/A CYS 220.A N ASP 239.A OD2 no hydrogen 2.869 N/A CYS 220.A SG PRO 242.A O no hydrogen 3.472 N/A TRP 224.A NE1 SER 187.A O no hydrogen 2.918 N/A THR 225.A OG1 ASP 216.A OD2 no hydrogen 2.721 N/A THR 225.A OG1 SER 237.A OG no hydrogen 2.741 N/A TYR 226.A N GLY 222.A O no hydrogen 2.847 N/A TYR 226.A OH ASP 182.A OD1 no hydrogen 2.765 N/A GLN 227.A N TRP 224.A O no hydrogen 3.067 N/A LEU 228.A N TRP 224.A O no hydrogen 3.326 N/A VAL 229.A N THR 225.A O no hydrogen 2.857 N/A LYS 230.A N TYR 226.A O no hydrogen 3.008 N/A LYS 230.A NZ TYR 226.A OH no hydrogen 3.467 N/A ARG 231.A N GLN 227.A O no hydrogen 3.302 N/A ARG 231.A N LEU 228.A O no hydrogen 2.992 N/A ARG 231.A NE LEU 208.A O no hydrogen 2.904 N/A ARG 231.A NH2 TRP 204.A O no hydrogen 3.112 N/A ARG 231.A NH2 ASP 205.A OD1 no hydrogen 3.113 N/A ARG 231.A NH2 LEU 208.A O no hydrogen 3.010 N/A ASN 232.A N VAL 229.A O no hydrogen 2.779 N/A MET 233.A N LEU 228.A O no hydrogen 3.234 N/A TRP 234.A N MET 212.A O no hydrogen 2.874 N/A VAL 235.A N GLN 252.A O no hydrogen 2.906 N/A TYR 236.A N ALA 214.A O no hydrogen 2.837 N/A SER 237.A N THR 254.A O no hydrogen 2.833 N/A SER 237.A OG THR 225.A OG1 no hydrogen 2.741 N/A VAL 238.A N ASP 216.A O no hydrogen 2.904 N/A ASP 239.A N LEU 256.A O no hydrogen 3.077 N/A GLY 241.A N ASP 239.A OD1 no hydrogen 3.377 N/A ALA 244.A N PRO 221.A O no hydrogen 2.988 N/A LEU 247.A N ALA 244.A O no hydrogen 3.202 N/A MET 248.A N ALA 244.A O no hydrogen 3.238 N/A ASP 249.A N GLN 245.A O no hydrogen 2.856 N/A THR 250.A N LEU 247.A O no hydrogen 3.177 N/A THR 250.A OG1 LEU 247.A O no hydrogen 2.600 N/A GLY 251.A N MET 248.A O no hydrogen 3.312 N/A GLN 252.A N THR 250.A OG1 no hydrogen 3.033 N/A GLN 252.A NE2 VAL 229.A O no hydrogen 2.968 N/A GLN 252.A NE2 MET 233.A O no hydrogen 2.985 N/A THR 254.A N VAL 235.A O no hydrogen 2.877 N/A TRP 255.A NE1 ASP 239.A O no hydrogen 2.998 N/A LEU 256.A N SER 237.A O no hydrogen 2.997 N/A GLU 258.A N LEU 256.A O no hydrogen 2.883 N/A PHE 261.A N ASP 259.A OD1 no hydrogen 2.863 N/A LYS 262.A N ASP 259.A O no hydrogen 2.888 N/A LYS 262.A NZ ASP 259.A OD2 no hydrogen 3.188 N/A PHE 263.A N ASP 259.A O no hydrogen 2.992 N/A ARG 267.A NE TYR 236.A OH no hydrogen 2.865 N/A SER 271.A N TRP 213.A O no hydrogen 3.007 N/A TRP 272.A N TRP 213.A O no hydrogen 3.200 N/A TRP 272.A NE1 ARG 207.A O no hydrogen 2.795 N/A MET 273.A N GLU 299.A O no hydrogen 3.127 N/A VAL 274.A N VAL 215.A O no hydrogen 2.855 N/A CYS 275.A N ILE 301.A O no hydrogen 3.104 N/A LYS 280.A N GLU 279.A OE1 no hydrogen 3.024 N/A LYS 283.A N LYS 280.A O no hydrogen 3.059 N/A LYS 283.A NZ GLU 279.A OE2 no hydrogen 2.407 N/A VAL 284.A N LYS 280.A O no hydrogen 3.018 N/A ALA 285.A N PRO 281.A O no hydrogen 2.866 N/A ALA 286.A N ALA 282.A O no hydrogen 3.213 N/A LEU 287.A N LYS 283.A O no hydrogen 3.135 N/A MET 288.A N VAL 284.A O no hydrogen 2.940 N/A ALA 289.A N ALA 285.A O no hydrogen 2.957 N/A GLN 290.A N ALA 286.A O no hydrogen 2.950 N/A TRP 291.A N LEU 287.A O no hydrogen 3.104 N/A LEU 292.A N MET 288.A O no hydrogen 3.042 N/A VAL 293.A N ALA 289.A O no hydrogen 2.883 N/A ASN 294.A N GLN 290.A O no hydrogen 2.960 N/A GLY 295.A N LEU 292.A O no hydrogen 3.147 N/A TRP 296.A N TRP 291.A O no hydrogen 2.875 N/A CYS 297.A SG GLU 299.A O no hydrogen 3.870 N/A ARG 298.A N SER 271.A O no hydrogen 3.003 N/A GLU 299.A N SER 271.A O no hydrogen 2.982 N/A THR 300.A N VAL 351.A O no hydrogen 2.877 N/A THR 300.A OG1 MET 273.A O no hydrogen 2.774 N/A ILE 301.A N MET 273.A O no hydrogen 3.268 N/A PHE 302.A N VAL 349.A O no hydrogen 3.006 N/A ASN 303.A N CYS 275.A O no hydrogen 3.066 N/A ASN 303.A ND2 THR 348.A OG1 no hydrogen 2.690 N/A LEU 304.A N VAL 347.A O no hydrogen 2.898 N/A LYS 305.A NZ GLU 346.A OE1 no hydrogen 2.625 N/A LEU 306.A N GLU 345.A O.A no hydrogen 2.951 N/A LEU 306.A N GLU 345.A O.B no hydrogen 2.954 N/A ARG 311.A NE PRO 307.A O no hydrogen 3.390 N/A ARG 311.A NH1 GLU 15.A OE2 no hydrogen 3.188 N/A ARG 311.A NH2 GLU 345.A OE1.A no hydrogen 3.108 N/A TYR 312.A OH ASP 22.A OD2 no hydrogen 2.646 N/A GLU 313.A N GLU 313.A OE1 no hydrogen 2.801 N/A GLU 314.A N LYS 310.A O no hydrogen 2.928 N/A VAL 315.A N ARG 311.A O no hydrogen 3.037 N/A SER 316.A N TYR 312.A O no hydrogen 3.095 N/A SER 316.A OG TYR 312.A O no hydrogen 2.697 N/A HIS 317.A N GLU 313.A O no hydrogen 2.967 N/A ASN 318.A N GLU 314.A O no hydrogen 3.007 N/A LEU 319.A N VAL 315.A O no hydrogen 3.016 N/A ALA 320.A N SER 316.A O no hydrogen 2.916 N/A TYR 321.A N HIS 317.A O no hydrogen 2.897 N/A ILE 322.A N ASN 318.A O no hydrogen 3.279 N/A GLN 323.A N LEU 319.A O no hydrogen 3.015 N/A ALA 324.A N ALA 320.A O no hydrogen 2.818 N/A GLN 325.A N TYR 321.A O no hydrogen 3.115 N/A LEU 326.A N ILE 322.A O no hydrogen 3.029 N/A ASP 327.A N GLN 323.A O no hydrogen 2.917 N/A GLU 328.A N ALA 324.A O no hydrogen 3.043 N/A HIS 329.A N LEU 326.A O no hydrogen 3.243 N/A HIS 329.A ND1 GLN 325.A O no hydrogen 2.969 N/A GLY 330.A N ASP 327.A O no hydrogen 3.038 N/A ILE 331.A N LEU 326.A O no hydrogen 2.867 N/A GLN 334.A N ARG 352.A O no hydrogen 2.826 N/A GLN 336.A N HIS 350.A O no hydrogen 2.829 N/A GLN 336.A NE2 PHE 198.A O no hydrogen 3.273 N/A ARG 338.A N THR 348.A O no hydrogen 2.960 N/A ARG 338.A NE LEU 64.A O no hydrogen 2.912 N/A ARG 338.A NH2 LEU 64.A O no hydrogen 2.900 N/A GLN 339.A N ILE 65.A O no hydrogen 2.882 N/A LEU 340.A N ASP 343.A OD2 no hydrogen 2.973 N/A TYR 341.A N GLU 193.A OE2 no hydrogen 2.710 N/A HIS 342.A N GLU 193.A OE1 no hydrogen 2.978 N/A ASP 343.A N LEU 340.A O no hydrogen 2.912 N/A ARG 344.A N GLU 346.A OE2 no hydrogen 3.111 N/A VAL 347.A N LEU 304.A O no hydrogen 2.960 N/A THR 348.A N ARG 338.A O no hydrogen 2.974 N/A THR 348.A OG1 ASP 343.A OD2 no hydrogen 2.635 N/A VAL 349.A N PHE 302.A O no hydrogen 2.665 N/A HIS 350.A N GLN 336.A O no hydrogen 2.754 N/A VAL 351.A N THR 300.A O no hydrogen 2.996 N/A ARG 352.A N GLN 334.A O no hydrogen 2.910 N/A ARG 353.A N ARG 298.A O no hydrogen 2.823 N/A ARG 353.A NE ILE 354.A O no hydrogen 3.388 N/A ARG 353.A NH1 LEU 292.A O no hydrogen 3.009 N/A ILE 354.A N ASN 332.A O no hydrogen 2.810 N/A