Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1a8f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ ASP 31.A O no hydrogen 2.635 N/A THR 3.A N ASP 1.A OD2 no hydrogen 2.974 N/A THR 3.A OG1 SER 34.A OG no hydrogen 3.105 N/A VAL 4.A N SER 34.A O no hydrogen 2.892 N/A ARG 5.A N ASP 56.A OD2 no hydrogen 2.922 N/A ARG 5.A NE ASP 56.A OD2 no hydrogen 3.113 N/A ARG 5.A NH1 ASN 53.A O no hydrogen 2.930 N/A ARG 5.A NH2 ASN 53.A O no hydrogen 3.385 N/A ARG 5.A NH2 ASN 53.A OD1 no hydrogen 3.061 N/A ARG 5.A NH2 ASP 56.A OD1 no hydrogen 2.932 N/A TRP 6.A N ALA 36.A O no hydrogen 2.802 N/A CYS 7.A N ALA 57.A O no hydrogen 2.898 N/A CYS 7.A SG VAL 38.A O no hydrogen 3.897 N/A ALA 8.A N VAL 38.A O no hydrogen 2.725 N/A VAL 9.A N GLU 13.A OE1 no hydrogen 2.875 N/A SER 10.A N LYS 40.A O no hydrogen 2.888 N/A HIS 12.A ND1 THR 179.A OG1 no hydrogen 2.822 N/A ALA 14.A N SER 10.A O no hydrogen 2.998 N/A THR 15.A N GLU 11.A O no hydrogen 3.018 N/A THR 15.A OG1 GLU 11.A O no hydrogen 3.179 N/A LYS 16.A N HIS 12.A O no hydrogen 3.046 N/A LYS 16.A NZ LEU 282.A O no hydrogen 2.814 N/A LYS 16.A NZ SER 284.A O no hydrogen 3.344 N/A LYS 16.A NZ LEU 291.A O no hydrogen 2.860 N/A CYS 17.A N GLU 13.A O no hydrogen 2.768 N/A GLN 18.A N ALA 14.A O no hydrogen 2.996 N/A SER 19.A N THR 15.A O no hydrogen 3.128 N/A SER 19.A OG.A HIS 23.A ND1 no hydrogen 3.275 N/A PHE 20.A N LYS 16.A O no hydrogen 2.743 N/A ARG 21.A N CYS 17.A O no hydrogen 2.833 N/A ARG 21.A NE ASP 22.A OD1 no hydrogen 2.799 N/A ARG 21.A NH2 ASP 22.A OD1 no hydrogen 3.262 N/A ARG 21.A NH2 ASP 22.A OD2 no hydrogen 3.179 N/A ASP 22.A N GLN 18.A O no hydrogen 2.849 N/A HIS 23.A N SER 19.A O no hydrogen 2.789 N/A HIS 23.A ND1 SER 19.A O no hydrogen 2.827 N/A HIS 23.A NE2 GLU 279.A OE2 no hydrogen 3.050 N/A MET 24.A N PHE 20.A O no hydrogen 2.966 N/A LYS 25.A N ARG 21.A O no hydrogen 3.089 N/A SER 26.A N HIS 23.A O no hydrogen 3.087 N/A SER 26.A OG HIS 23.A O no hydrogen 2.629 N/A VAL 27.A N MET 24.A O no hydrogen 3.018 N/A ILE 28.A N MET 24.A O no hydrogen 2.869 N/A GLY 32.A N PRO 29.A O no hydrogen 2.816 N/A SER 34.A N LYS 2.A O no hydrogen 2.759 N/A SER 34.A OG THR 3.A OG1 no hydrogen 3.105 N/A ALA 36.A N VAL 4.A O no hydrogen 3.063 N/A VAL 38.A N TRP 6.A O no hydrogen 2.849 N/A LYS 39.A NZ GLU 11.A OE1 no hydrogen 3.301 N/A LYS 39.A NZ GLU 11.A OE2 no hydrogen 2.652 N/A LYS 40.A N ALA 8.A O no hydrogen 2.851 N/A ASP 45.A N SER 42.A OG no hydrogen 3.164 N/A CYS 46.A N SER 42.A O no hydrogen 3.080 N/A CYS 46.A SG SER 42.A O no hydrogen 3.838 N/A ILE 47.A N TYR 43.A O no hydrogen 2.803 N/A ARG 48.A N LEU 44.A O no hydrogen 2.970 N/A ALA 49.A N ASP 45.A O no hydrogen 2.835 N/A ILE 50.A N CYS 46.A O no hydrogen 2.814 N/A ALA 51.A N ILE 47.A O no hydrogen 2.947 N/A ALA 52.A N ARG 48.A O no hydrogen 2.900 N/A ASN 53.A N ILE 50.A O no hydrogen 2.953 N/A GLU 54.A N ALA 49.A O no hydrogen 2.818 N/A ALA 55.A N ALA 49.A O no hydrogen 3.228 N/A ASP 56.A N ARG 5.A O no hydrogen 2.742 N/A ALA 57.A N ARG 5.A O no hydrogen 3.172 N/A THR 59.A OG1 LEU 292.A O no hydrogen 2.808 N/A LEU 60.A N THR 248.A O no hydrogen 2.819 N/A GLY 63.A N ASP 61.A OD2 no hydrogen 2.876 N/A LEU 64.A N ASP 61.A O no hydrogen 2.838 N/A VAL 65.A N ASP 61.A O no hydrogen 3.155 N/A TYR 66.A N GLY 63.A O no hydrogen 3.281 N/A ALA 68.A N LEU 64.A O no hydrogen 3.034 N/A TYR 69.A N VAL 65.A O no hydrogen 3.020 N/A TYR 69.A N TYR 66.A O no hydrogen 3.199 N/A LEU 70.A N TYR 66.A O no hydrogen 3.265 N/A ASN 73.A N LEU 70.A O no hydrogen 2.787 N/A ASN 73.A ND2 ASP 67.A O no hydrogen 3.003 N/A ASN 74.A N LEU 70.A O no hydrogen 3.332 N/A LEU 75.A N ALA 68.A O no hydrogen 2.885 N/A LYS 76.A N ALA 251.A O no hydrogen 2.707 N/A LYS 76.A NZ SER 253.A O no hydrogen 2.870 N/A LYS 76.A NZ GLU 258.A OE2 no hydrogen 3.380 N/A VAL 78.A N VAL 249.A O no hydrogen 2.800 N/A ALA 80.A N LEU 301.A O no hydrogen 2.854 N/A GLU 81.A N HIS 247.A O no hydrogen 3.012 N/A PHE 82.A N GLY 299.A O no hydrogen 3.034 N/A TYR 83.A N GLN 90.A O no hydrogen 2.918 N/A TYR 83.A OH GLU 81.A OE1 no hydrogen 2.602 N/A LYS 86.A NZ LYS 274.A O no hydrogen 3.152 N/A ASP 88.A N SER 85.A OG no hydrogen 3.050 N/A GLN 90.A N TYR 83.A O no hydrogen 3.022 N/A TYR 93.A N VAL 244.A O no hydrogen 2.819 N/A TYR 93.A OH TYR 186.A OH no hydrogen 2.855 N/A TYR 94.A N HIS 205.A ND1 no hydrogen 3.038 N/A ALA 95.A N ALA 242.A O no hydrogen 2.941 N/A VAL 96.A N VAL 203.A O no hydrogen 2.842 N/A VAL 98.A N ALA 201.A O no hydrogen 2.907 N/A VAL 99.A N GLU 222.A O no hydrogen 2.876 N/A LYS 100.A NZ LYS 194.A O no hydrogen 2.752 N/A LYS 101.A N GLN 220.A O no hydrogen 2.551 N/A LYS 101.A NZ ASP 219.A O no hydrogen 2.947 N/A SER 103.A N LYS 100.A O no hydrogen 3.433 N/A SER 103.A OG LYS 100.A O no hydrogen 3.193 N/A PHE 105.A N SER 103.A O no hydrogen 2.861 N/A GLN 106.A N GLN 109.A OE1 no hydrogen 2.906 N/A GLN 109.A N GLN 106.A O no hydrogen 2.841 N/A ARG 111.A NH1 GLU 139.A OE2 no hydrogen 3.114 N/A ARG 111.A NH2 GLU 139.A OE2 no hydrogen 3.146 N/A GLY 112.A N PHE 151.A O no hydrogen 2.783 N/A LYS 113.A N LEU 110.A O no hydrogen 2.986 N/A LYS 113.A NZ GLN 109.A O no hydrogen 2.869 N/A LYS 114.A N ASP 199.A OD2 no hydrogen 2.912 N/A LYS 114.A NZ SER 153.A O no hydrogen 2.781 N/A LYS 114.A NZ SER 153.A OG no hydrogen 2.509 N/A SER 115.A N GLY 154.A O no hydrogen 3.105 N/A SER 115.A OG HIS 117.A NE2 no hydrogen 2.839 N/A SER 115.A OG SER 155.A OG no hydrogen 2.788 N/A CYS 116.A N VAL 200.A O no hydrogen 2.887 N/A HIS 117.A N CYS 156.A O no hydrogen 2.993 N/A HIS 117.A ND1 GLY 125.A O no hydrogen 2.764 N/A HIS 117.A NE2 SER 115.A OG no hydrogen 2.839 N/A LEU 120.A N PRO 158.A O no hydrogen 2.800 N/A ARG 122.A N GLY 119.A O no hydrogen 3.257 N/A SER 123.A N ASP 61.A OD1 no hydrogen 3.392 N/A SER 123.A N ASP 61.A OD2 no hydrogen 2.793 N/A SER 123.A OG ASP 61.A OD1 no hydrogen 3.438 N/A SER 123.A OG ASP 61.A OD2 no hydrogen 3.225 N/A SER 123.A OG TYR 317.A OH no hydrogen 2.648 N/A TRP 126.A N ARG 122.A O no hydrogen 3.013 N/A ASN 127.A N ARG 122.A O no hydrogen 2.871 N/A ASN 127.A ND2 TYR 317.A OH no hydrogen 3.178 N/A ILE 128.A N SER 123.A O no hydrogen 2.928 N/A ILE 130.A N TRP 126.A O no hydrogen 2.902 N/A GLY 131.A N ASN 127.A O no hydrogen 2.918 N/A LEU 132.A N ILE 128.A O no hydrogen 2.988 N/A LEU 133.A N ILE 130.A O no hydrogen 2.855 N/A TYR 134.A N ILE 130.A O no hydrogen 2.827 N/A TYR 134.A OH THR 328.A O no hydrogen 2.878 N/A CYS 135.A SG THR 328.A O no hydrogen 3.689 N/A ASP 136.A N LEU 133.A O no hydrogen 3.104 N/A LEU 137.A N TYR 134.A O no hydrogen 3.226 N/A ARG 141.A N GLU 139.A O no hydrogen 2.692 N/A LYS 142.A NZ CYS 135.A O no hydrogen 3.530 N/A LYS 142.A NZ LEU 137.A O no hydrogen 3.270 N/A LEU 144.A N LYS 142.A O no hydrogen 2.496 N/A VAL 148.A N LEU 144.A O no hydrogen 2.694 N/A ALA 149.A N GLU 145.A O no hydrogen 2.924 N/A ASN 150.A N LYS 146.A O no hydrogen 3.136 N/A PHE 151.A N ALA 147.A O no hydrogen 3.087 N/A PHE 151.A N VAL 148.A O no hydrogen 3.178 N/A PHE 152.A N VAL 148.A O no hydrogen 3.100 N/A SER 153.A N LYS 113.A O no hydrogen 2.678 N/A SER 153.A OG GLY 112.A O no hydrogen 2.934 N/A SER 155.A N GLN 167.A O no hydrogen 2.951 N/A SER 155.A OG SER 115.A OG no hydrogen 2.788 N/A CYS 156.A N SER 115.A O no hydrogen 2.966 N/A CYS 156.A SG TYR 183.A O no hydrogen 3.999 N/A ALA 157.A N LEU 168.A O no hydrogen 2.809 N/A CYS 159.A N CYS 175.A O no hydrogen 2.851 N/A ALA 160.A N ALA 157.A O no hydrogen 3.035 N/A THR 163.A N ASP 161.A OD1 no hydrogen 2.948 N/A ASP 164.A N ASP 161.A OD1 no hydrogen 3.371 N/A PHE 165.A N ASP 161.A O no hydrogen 2.820 N/A GLN 167.A N GLN 167.A OE1 no hydrogen 2.802 N/A LEU 168.A N PHE 165.A O no hydrogen 2.914 N/A CYS 169.A N PRO 166.A O no hydrogen 3.125 N/A GLN 170.A N GLN 167.A O no hydrogen 3.279 N/A GLN 170.A NE2 SER 153.A O no hydrogen 3.629 N/A LEU 171.A N SER 155.A O no hydrogen 2.938 N/A CYS 172.A N CYS 169.A O no hydrogen 2.963 N/A CYS 175.A N CYS 172.A O no hydrogen 2.817 N/A CYS 175.A SG ALA 157.A O no hydrogen 3.090 N/A CYS 175.A SG LEU 168.A O no hydrogen 3.247 N/A THR 179.A OG1 HIS 12.A ND1 no hydrogen 2.822 N/A LEU 180.A N SER 178.A OG no hydrogen 3.043 N/A ASN 181.A N SER 178.A O no hydrogen 2.858 N/A ASN 181.A ND2 GLY 176.A O no hydrogen 2.977 N/A TYR 183.A N ASN 181.A OD1 no hydrogen 2.930 N/A TYR 183.A OH ASP 195.A OD2 no hydrogen 2.640 N/A PHE 184.A N ASN 181.A O no hydrogen 3.044 N/A GLY 185.A N THR 118.A O no hydrogen 2.988 N/A TYR 186.A OH HIS 247.A NE2 no hydrogen 2.907 N/A ALA 189.A N GLY 185.A O no hydrogen 2.888 N/A PHE 190.A N TYR 186.A O no hydrogen 2.957 N/A LYS 191.A N SER 187.A O no hydrogen 3.032 N/A LYS 191.A NZ GLN 182.A OE1 no hydrogen 2.895 N/A LYS 191.A NZ ASP 195.A OD1 no hydrogen 3.488 N/A LYS 191.A NZ ASP 195.A OD2 no hydrogen 2.594 N/A CYS 192.A N GLY 188.A O no hydrogen 2.962 N/A LEU 193.A N ALA 189.A O no hydrogen 3.166 N/A LYS 194.A N PHE 190.A O no hydrogen 2.774 N/A ASP 195.A N LYS 191.A O no hydrogen 2.756 N/A GLY 196.A N LEU 193.A O no hydrogen 2.909 N/A GLY 198.A N CYS 192.A O no hydrogen 3.177 N/A ASP 199.A N LYS 114.A O no hydrogen 2.791 N/A ALA 201.A N VAL 98.A O no hydrogen 2.974 N/A PHE 202.A N CYS 116.A O no hydrogen 2.983 N/A VAL 203.A N VAL 96.A O no hydrogen 3.131 N/A LYS 204.A N THR 207.A OG1 no hydrogen 3.173 N/A LYS 204.A NZ SER 296.A OG no hydrogen 2.952 N/A HIS 205.A N TYR 94.A O no hydrogen 3.041 N/A SER 206.A OG GLU 210.A OE2 no hydrogen 2.819 N/A THR 207.A N LYS 204.A O no hydrogen 3.021 N/A THR 207.A OG1 LYS 204.A O no hydrogen 3.083 N/A GLU 210.A N SER 206.A O no hydrogen 3.011 N/A ASN 211.A N ILE 208.A O no hydrogen 3.052 N/A ASN 211.A ND2 SER 187.A OG no hydrogen 2.846 N/A ASN 211.A ND2 THR 207.A O no hydrogen 2.840 N/A LEU 212.A N ILE 208.A O no hydrogen 2.949 N/A LYS 215.A NZ ASP 219.A OD1 no hydrogen 3.100 N/A ASP 217.A N ASN 214.A O no hydrogen 2.814 N/A ARG 218.A N ASN 214.A O no hydrogen 3.075 N/A ARG 218.A NH1 LEU 212.A O no hydrogen 3.002 N/A ARG 218.A NH1 ALA 213.A O no hydrogen 3.060 N/A ASP 219.A N LYS 215.A O no hydrogen 2.959 N/A GLN 220.A N ASP 217.A O no hydrogen 3.045 N/A GLN 220.A NE2 ALA 216.A O no hydrogen 3.566 N/A TYR 221.A N ARG 218.A O no hydrogen 2.865 N/A GLU 222.A N VAL 99.A O no hydrogen 2.959 N/A LEU 223.A N LYS 231.A O no hydrogen 2.892 N/A LEU 224.A N ALA 97.A O no hydrogen 2.943 N/A CYS 225.A N THR 229.A O no hydrogen 2.749 N/A ASN 228.A N CYS 225.A O no hydrogen 3.026 N/A THR 229.A OG1 ASP 227.A OD1 no hydrogen 2.845 N/A ARG 230.A NE PHE 105.A O no hydrogen 2.919 N/A ARG 230.A NH1 LYS 100.A O no hydrogen 2.930 N/A ARG 230.A NH1 GLU 222.A OE1 no hydrogen 3.048 N/A ARG 230.A NH2 SER 103.A OG no hydrogen 2.679 N/A ARG 230.A NH2 PHE 105.A O no hydrogen 2.883 N/A LYS 231.A N LEU 223.A O no hydrogen 3.156 N/A GLU 235.A N PRO 232.A O no hydrogen 2.835 N/A ASP 238.A N GLU 235.A O no hydrogen 2.951 N/A CYS 239.A N TYR 236.A O no hydrogen 2.930 N/A HIS 240.A ND1 TYR 236.A O no hydrogen 2.521 N/A LEU 241.A N ALA 95.A O no hydrogen 2.739 N/A VAL 244.A N TYR 93.A O no hydrogen 2.878 N/A SER 246.A N THR 91.A O no hydrogen 3.004 N/A SER 246.A OG.A GLU 81.A O no hydrogen 2.824 N/A SER 246.A OG.B TYR 312.A OH no hydrogen 2.588 N/A HIS 247.A N TYR 83.A OH no hydrogen 2.935 N/A THR 248.A N LEU 60.A O no hydrogen 2.861 N/A THR 248.A OG1 VAL 79.A O no hydrogen 2.684 N/A THR 248.A OG1 VAL 249.A O no hydrogen 3.347 N/A VAL 249.A N VAL 79.A O no hydrogen 2.662 N/A VAL 250.A N VAL 58.A O no hydrogen 2.897 N/A ALA 251.A N LYS 76.A O no hydrogen 2.875 N/A ARG 252.A NE GLY 255.A O no hydrogen 3.234 N/A ARG 252.A NH1 ILE 50.A O no hydrogen 3.002 N/A ARG 252.A NH1 ALA 55.A O no hydrogen 2.820 N/A ARG 252.A NH1 ASP 56.A OD1 no hydrogen 3.519 N/A ARG 252.A NH2 ASP 56.A OD1 no hydrogen 2.793 N/A ARG 252.A NH2 GLY 255.A O no hydrogen 3.086 N/A SER 253.A OG ASN 74.A O no hydrogen 2.604 N/A LYS 257.A NZ ASP 1.A OD2 no hydrogen 2.769 N/A LYS 257.A NZ THR 3.A O no hydrogen 2.878 N/A LYS 257.A NZ ASP 56.A OD2 no hydrogen 2.935 N/A GLU 258.A N GLU 258.A OE1 no hydrogen 3.267 N/A ILE 261.A N LYS 257.A O no hydrogen 2.757 N/A TRP 262.A N GLU 258.A O no hydrogen 2.989 N/A GLU 263.A N ASP 259.A O no hydrogen 3.067 N/A LEU 264.A N LEU 260.A O no hydrogen 2.994 N/A LEU 265.A N ILE 261.A O no hydrogen 2.962 N/A ASN 266.A N TRP 262.A O no hydrogen 2.683 N/A GLN 267.A N GLU 263.A O no hydrogen 3.005 N/A ALA 268.A N LEU 264.A O no hydrogen 2.915 N/A GLN 269.A N LEU 265.A O no hydrogen 2.846 N/A GLN 269.A NE2 ASN 266.A OD1 no hydrogen 2.893 N/A GLN 269.A NE2 PHE 300.A O no hydrogen 3.293 N/A GLU 270.A N ASN 266.A O no hydrogen 3.024 N/A HIS 271.A N GLN 267.A O no hydrogen 3.299 N/A PHE 272.A N ALA 268.A O no hydrogen 2.855 N/A GLY 273.A N GLN 269.A O no hydrogen 3.001 N/A LYS 274.A NZ ALA 297.A O no hydrogen 2.600 N/A LYS 276.A N GLY 273.A O no hydrogen 2.911 N/A LYS 276.A NZ GLN 269.A O no hydrogen 3.380 N/A GLU 279.A N SER 277.A OG no hydrogen 2.858 N/A GLN 281.A NE2 SER 277.A O no hydrogen 2.749 N/A LEU 282.A N PHE 272.A O no hydrogen 3.027 N/A HIS 287.A N SER 285.A OG no hydrogen 2.840 N/A GLY 288.A N SER 285.A O no hydrogen 3.374 N/A LYS 289.A NZ GLU 210.A O no hydrogen 2.978 N/A ASP 290.A N ASP 295.A OD1 no hydrogen 2.821 N/A LEU 292.A N GLU 13.A OE2 no hydrogen 2.865 N/A LYS 294.A N GLU 81.A OE2 no hydrogen 2.887 N/A LYS 294.A NZ TYR 186.A OH no hydrogen 3.400 N/A ASP 295.A N ASP 290.A OD1 no hydrogen 2.869 N/A ALA 297.A N LYS 294.A O no hydrogen 3.038 N/A HIS 298.A N PHE 82.A O no hydrogen 2.879 N/A PHE 300.A N GLN 269.A OE1 no hydrogen 2.683 N/A LEU 301.A N ALA 80.A O no hydrogen 3.013 N/A VAL 303.A N VAL 78.A O no hydrogen 3.073 N/A MET 307.A N PRO 304.A O no hydrogen 3.120 N/A LYS 310.A NZ TYR 69.A OH no hydrogen 3.406 N/A MET 311.A N ASP 308.A OD1 no hydrogen 2.922 N/A TYR 312.A N ASP 308.A O no hydrogen 2.932 N/A TYR 312.A OH SER 246.A O no hydrogen 2.956 N/A LEU 313.A N ALA 309.A O no hydrogen 2.848 N/A GLY 314.A N LYS 310.A O no hydrogen 2.933 N/A TYR 317.A OH SER 123.A OG no hydrogen 2.648 N/A VAL 318.A N GLY 314.A O no hydrogen 3.168 N/A THR 319.A N TYR 315.A O no hydrogen 3.007 N/A THR 319.A OG1 TYR 315.A O no hydrogen 2.766 N/A ALA 320.A N GLU 316.A O no hydrogen 2.935 N/A ILE 321.A N TYR 317.A O no hydrogen 2.888 N/A ARG 322.A N VAL 318.A O no hydrogen 2.922 N/A ARG 322.A NH2 ASN 323.A OD1 no hydrogen 3.541 N/A ASN 323.A N THR 319.A O no hydrogen 2.757 N/A LEU 324.A N ALA 320.A O no hydrogen 2.680 N/A ARG 325.A N ILE 321.A O no hydrogen 3.124 N/A ARG 325.A NH1 ASP 67.A OD1 no hydrogen 2.876 N/A ARG 325.A NH2 ASP 67.A OD1 no hydrogen 3.429 N/A ARG 325.A NH2 ASP 67.A OD2 no hydrogen 2.808 N/A GLU 326.A N ARG 322.A O no hydrogen 3.283 N/A GLU 326.A N ASN 323.A O no hydrogen 3.262 N/A GLY 327.A N LEU 324.A O no hydrogen 3.324 N/A THR 328.A N ASN 323.A O no hydrogen 2.898 N/A CYS 329.A SG GLY 327.A O no hydrogen 3.815 N/A