Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kry_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 4.A N LYS 1.A O no hydrogen 3.355 N/A LYS 5.A N PRO 2.A O no hydrogen 3.216 N/A LYS 5.A NZ ARG 204.A O no hydrogen 3.342 N/A LYS 5.A NZ ARG 205.A O no hydrogen 3.423 N/A LYS 5.A NZ LEU 207.A O no hydrogen 2.813 N/A LYS 5.A NZ GLY 208.A O no hydrogen 3.412 N/A LEU 6.A N LEU 206.A O no hydrogen 3.273 N/A LEU 11.A N VAL 8.A O no hydrogen 2.860 N/A ILE 12.A N VAL 8.A O no hydrogen 3.279 N/A SER 13.A N GLY 287.A O no hydrogen 3.031 N/A SER 13.A OG GLY 287.A O no hydrogen 3.306 N/A MET 16.A N SER 13.A OG no hydrogen 3.337 N/A LYS 17.A N SER 13.A O no hydrogen 3.021 N/A THR 18.A N ALA 14.A O no hydrogen 3.092 N/A THR 18.A OG1 GLU 15.A O no hydrogen 2.753 N/A VAL 19.A N GLU 15.A O no hydrogen 3.365 N/A VAL 20.A N MET 16.A O no hydrogen 2.944 N/A ASN 21.A N LYS 17.A O no hydrogen 2.798 N/A THR 22.A N VAL 19.A O no hydrogen 3.139 N/A THR 22.A OG1 THR 18.A O no hydrogen 2.701 N/A THR 22.A OG1 VAL 19.A O no hydrogen 3.422 N/A GLN 24.A NE2 GLU 46.A O no hydrogen 3.036 N/A ALA 32.A N TRP 30.A O no hydrogen 2.993 N/A GLY 34.A N PRO 31.A O no hydrogen 3.362 N/A THR 35.A N GLU 38.A OE1 no hydrogen 2.932 N/A THR 35.A OG1 GLU 38.A OE1 no hydrogen 3.378 N/A GLN 39.A N THR 35.A O no hydrogen 2.857 N/A ARG 40.A N ILE 36.A O no hydrogen 2.834 N/A ARG 40.A NE ILE 95.A O no hydrogen 2.806 N/A ARG 40.A NH1 GLU 127.A OE2 no hydrogen 2.918 N/A ARG 40.A NH2 ILE 95.A O no hydrogen 3.296 N/A ARG 40.A NH2 GLU 127.A OE1 no hydrogen 2.893 N/A GLN 41.A N ALA 37.A O no hydrogen 2.960 N/A TYR 42.A N GLU 38.A O no hydrogen 2.936 N/A TYR 43.A N GLN 39.A O no hydrogen 2.926 N/A THR 44.A N ARG 40.A O no hydrogen 2.833 N/A THR 44.A OG1 ARG 40.A O no hydrogen 3.164 N/A LEU 45.A N GLN 41.A O no hydrogen 2.959 N/A GLU 46.A N TYR 42.A O no hydrogen 2.782 N/A ARG 47.A N TYR 43.A O no hydrogen 2.959 N/A ARG 48.A N THR 44.A O no hydrogen 3.031 N/A TRP 50.A NE1 GLU 46.A OE2 no hydrogen 3.214 N/A ASN 51.A N ARG 48.A O no hydrogen 3.029 N/A ASN 51.A ND2 ARG 47.A O no hydrogen 2.960 N/A ASN 51.A ND2 THR 101.A O no hydrogen 2.918 N/A ALA 52.A N PHE 49.A O no hydrogen 3.284 N/A ARG 60.A N LEU 75.A O no hydrogen 2.869 N/A ARG 60.A NH1 THR 59.A O no hydrogen 3.001 N/A TYR 62.A N THR 73.A O no hydrogen 2.987 N/A VAL 64.A N VAL 71.A O no hydrogen 2.801 N/A THR 66.A OG1 GLY 69.A O no hydrogen 2.612 N/A LYS 67.A NZ GLU 135.A OE2 no hydrogen 3.024 N/A TYR 68.A N THR 66.A OG1 no hydrogen 3.007 N/A TYR 68.A OH GLU 135.A OE1 no hydrogen 2.547 N/A GLY 69.A N THR 66.A O no hydrogen 2.816 N/A VAL 71.A N VAL 64.A O no hydrogen 2.808 N/A THR 73.A N TYR 62.A O no hydrogen 2.812 N/A THR 73.A OG1 TYR 62.A O no hydrogen 2.658 N/A ARG 74.A N GLY 119.A O no hydrogen 2.940 N/A ARG 74.A NH1 ASP 100.A OD1 no hydrogen 2.801 N/A LEU 75.A N ARG 60.A O no hydrogen 2.898 N/A PHE 76.A N VAL 117.A O no hydrogen 2.780 N/A CYS 77.A N ALA 58.A O no hydrogen 2.860 N/A CYS 77.A SG GLN 79.A O no hydrogen 3.226 N/A GLN 79.A NE2 GLN 114.A O no hydrogen 2.995 N/A ASP 81.A N GLN 79.A OE1 no hydrogen 2.732 N/A SER 82.A OG ALA 84.A O no hydrogen 2.658 N/A SER 82.A OG THR 116.A OG1 no hydrogen 3.343 N/A THR 85.A N ARG 157.A O no hydrogen 3.061 N/A THR 85.A OG1 ASN 154.A O no hydrogen 2.685 N/A LEU 86.A N THR 116.A O no hydrogen 2.973 N/A PHE 87.A N GLY 159.A O no hydrogen 3.030 N/A TYR 88.A N ILE 118.A O no hydrogen 3.087 N/A TYR 88.A OH ASP 163.A OD1 no hydrogen 2.638 N/A LEU 89.A N ALA 161.A O no hydrogen 2.746 N/A HIS 90.A ND1 GLY 91.A O no hydrogen 2.645 N/A GLY 91.A N ASP 163.A OD1 no hydrogen 2.968 N/A ILE 95.A N GLY 92.A O no hydrogen 3.286 N/A LEU 96.A N GLY 92.A O no hydrogen 2.933 N/A ASN 98.A N THR 101.A OG1 no hydrogen 3.172 N/A ASN 98.A ND2 THR 44.A OG1 no hydrogen 2.941 N/A ASP 100.A N ASN 98.A OD1 no hydrogen 2.847 N/A THR 101.A N ASN 98.A OD1 no hydrogen 3.035 N/A THR 101.A OG1 ASN 98.A O no hydrogen 2.924 N/A THR 101.A OG1 HIS 102.A ND1 no hydrogen 2.827 N/A HIS 102.A ND1 THR 101.A OG1 no hydrogen 2.827 N/A HIS 102.A NE2 ASP 163.A OD2 no hydrogen 2.893 N/A ASP 103.A N ASP 100.A O no hydrogen 3.388 N/A ARG 104.A N ASN 51.A OD1 no hydrogen 2.872 N/A ARG 104.A NE SER 296.A OG no hydrogen 2.925 N/A ARG 104.A NH1 ALA 52.A O no hydrogen 3.133 N/A ARG 104.A NH2 SER 296.A OG no hydrogen 3.057 N/A MET 106.A N HIS 102.A O no hydrogen 3.071 N/A ARG 107.A N ASP 103.A O no hydrogen 3.054 N/A ARG 107.A NE ASP 103.A OD1 no hydrogen 2.819 N/A ARG 107.A NH1 PRO 55.A O no hydrogen 2.891 N/A LEU 108.A N ARG 104.A O no hydrogen 3.015 N/A LEU 109.A N ILE 105.A O no hydrogen 2.942 N/A ALA 110.A N MET 106.A O no hydrogen 3.043 N/A SER 111.A N ARG 107.A O no hydrogen 2.996 N/A SER 111.A OG ARG 107.A O no hydrogen 2.710 N/A TYR 112.A N LEU 108.A O no hydrogen 2.791 N/A TYR 112.A OH ASP 303.A OD1 no hydrogen 2.517 N/A SER 113.A N LEU 109.A O no hydrogen 2.858 N/A SER 113.A OG LEU 109.A O no hydrogen 2.758 N/A SER 113.A OG ALA 110.A O no hydrogen 3.482 N/A GLN 114.A NE2 SER 111.A O no hydrogen 2.929 N/A CYS 115.A N SER 113.A OG no hydrogen 2.997 N/A CYS 115.A SG SER 113.A O no hydrogen 3.662 N/A THR 116.A N SER 82.A OG no hydrogen 3.005 N/A THR 116.A OG1 SER 82.A OG no hydrogen 3.343 N/A VAL 117.A N PHE 76.A O no hydrogen 2.998 N/A ILE 118.A N LEU 86.A O no hydrogen 2.923 N/A GLY 119.A N ARG 74.A O no hydrogen 2.733 N/A ILE 120.A N TYR 88.A O no hydrogen 3.387 N/A ASP 121.A N GLU 72.A O no hydrogen 2.900 N/A TYR 122.A OH HIS 90.A O no hydrogen 2.671 N/A THR 123.A N GLU 136.A OE1 no hydrogen 2.749 N/A THR 123.A OG1 GLU 136.A OE1 no hydrogen 3.243 N/A THR 123.A OG1 GLU 136.A OE2 no hydrogen 2.417 N/A SER 125.A N PHE 94.A O no hydrogen 2.807 N/A SER 125.A OG ALA 128.A O no hydrogen 2.545 N/A GLU 127.A N GLU 127.A OE1 no hydrogen 2.799 N/A ALA 128.A N LEU 124.A O no hydrogen 3.068 N/A ARG 129.A NE PRO 126.A O no hydrogen 3.072 N/A ARG 129.A NH1 LEU 227.A O no hydrogen 2.682 N/A PHE 130.A N TYR 226.A O no hydrogen 2.709 N/A GLN 132.A N ARG 129.A O no hydrogen 2.841 N/A GLN 132.A NE2 GLU 136.A OE2 no hydrogen 2.852 N/A GLU 135.A N PRO 131.A O no hydrogen 2.970 N/A GLU 136.A N GLN 132.A O no hydrogen 2.887 N/A ILE 137.A N ALA 133.A O no hydrogen 2.934 N/A VAL 138.A N ILE 134.A O no hydrogen 2.859 N/A ALA 139.A N GLU 135.A O no hydrogen 2.916 N/A ALA 140.A N GLU 136.A O no hydrogen 2.825 N/A CYS 141.A N ILE 137.A O no hydrogen 2.855 N/A CYS 141.A SG CYS 183.A O no hydrogen 4.033 N/A CYS 142.A N VAL 138.A O no hydrogen 2.929 N/A CYS 142.A SG VAL 138.A O no hydrogen 3.443 N/A TYR 143.A N ALA 139.A O no hydrogen 2.921 N/A TYR 143.A OH TYR 151.A OH no hydrogen 2.243 N/A PHE 144.A N ALA 140.A O no hydrogen 3.055 N/A HIS 145.A N CYS 141.A O no hydrogen 3.141 N/A GLN 146.A N CYS 142.A O no hydrogen 3.072 N/A GLN 146.A NE2 GLN 146.A O no hydrogen 3.160 N/A GLN 147.A N TYR 143.A O no hydrogen 2.775 N/A ALA 148.A N HIS 145.A O no hydrogen 3.375 N/A ASP 150.A N GLN 147.A O no hydrogen 3.061 N/A TYR 151.A N GLN 147.A O no hydrogen 3.463 N/A TYR 151.A OH TYR 143.A OH no hydrogen 2.243 N/A GLN 152.A N GLU 149.A O no hydrogen 3.354 N/A ILE 153.A N ALA 148.A O no hydrogen 3.227 N/A ASN 154.A ND2 SER 82.A O no hydrogen 3.287 N/A SER 156.A N ASN 154.A OD1 no hydrogen 2.987 N/A SER 156.A OG ASN 154.A OD1 no hydrogen 2.641 N/A ARG 157.A NH2 PRO 83.A O no hydrogen 3.147 N/A ILE 158.A N LYS 185.A O no hydrogen 2.917 N/A GLY 159.A N THR 85.A O no hydrogen 2.942 N/A PHE 160.A N GLY 188.A O no hydrogen 3.295 N/A ALA 161.A N PHE 87.A O no hydrogen 2.666 N/A GLY 162.A N LEU 190.A O no hydrogen 3.037 N/A GLY 165.A N ASP 163.A O no hydrogen 2.752 N/A LEU 168.A N ALA 164.A O no hydrogen 2.954 N/A ALA 169.A N GLY 165.A O no hydrogen 2.743 N/A LEU 170.A N ALA 166.A O no hydrogen 3.003 N/A ALA 171.A N MET 167.A O no hydrogen 2.798 N/A SER 172.A N LEU 168.A O no hydrogen 2.839 N/A SER 172.A OG LEU 168.A O no hydrogen 2.854 N/A ALA 173.A N ALA 169.A O no hydrogen 3.127 N/A LEU 174.A N LEU 170.A O no hydrogen 2.806 N/A TRP 175.A N ALA 171.A O no hydrogen 2.702 N/A LEU 176.A N SER 172.A O no hydrogen 2.928 N/A ARG 177.A N ALA 173.A O no hydrogen 2.899 N/A ARG 177.A NE ASP 178.A OD1 no hydrogen 2.798 N/A ARG 177.A NH1 ASP 244.A O no hydrogen 2.728 N/A ARG 177.A NH2 ASP 178.A OD1 no hydrogen 2.715 N/A ARG 177.A NH2 ASP 244.A O no hydrogen 2.927 N/A ASP 178.A N LEU 174.A O no hydrogen 2.878 N/A LYS 179.A N TRP 175.A O no hydrogen 3.122 N/A GLN 180.A N ARG 177.A O no hydrogen 2.702 N/A GLY 184.A N ASP 182.A OD1 no hydrogen 3.022 N/A LYS 185.A N SER 156.A O no hydrogen 3.168 N/A ALA 187.A N ILE 158.A O no hydrogen 2.863 N/A VAL 189.A N PRO 251.A O no hydrogen 2.779 N/A LEU 190.A N PHE 160.A O no hydrogen 2.902 N/A LEU 191.A N PHE 253.A O no hydrogen 2.795 N/A TRP 192.A N GLY 162.A O no hydrogen 2.968 N/A TRP 192.A NE1 ALA 305.A O no hydrogen 2.967 N/A TYR 193.A N ALA 255.A O no hydrogen 2.781 N/A TYR 196.A N ASP 265.A OD2 no hydrogen 2.918 N/A ARG 199.A NH1 GLU 223.A OE1 no hydrogen 2.995 N/A ARG 199.A NH2 GLU 223.A OE1 no hydrogen 3.491 N/A ARG 199.A NH2 GLU 223.A OE2 no hydrogen 2.822 N/A SER 201.A N ASP 200.A OD1 no hydrogen 2.912 N/A SER 201.A OG THR 203.A OG1 no hydrogen 3.340 N/A THR 203.A N ASP 264.A OD2 no hydrogen 3.258 N/A THR 203.A OG1 SER 201.A OG no hydrogen 3.340 N/A THR 203.A OG1 PRO 261.A O no hydrogen 2.744 N/A ARG 204.A N SER 201.A OG no hydrogen 2.920 N/A ARG 204.A NE ASP 265.A OD1 no hydrogen 3.136 N/A ARG 204.A NH2 ASP 265.A OD1 no hydrogen 2.992 N/A ARG 204.A NH2 ASP 265.A OD2 no hydrogen 3.338 N/A ARG 205.A N SER 201.A O no hydrogen 3.107 N/A ARG 205.A NE ASP 200.A OD1 no hydrogen 3.078 N/A ARG 205.A NE ASP 200.A OD2 no hydrogen 3.272 N/A ARG 205.A NH2 ASP 200.A OD2 no hydrogen 2.898 N/A LEU 206.A N VAL 202.A O no hydrogen 2.935 N/A LEU 207.A N THR 203.A O no hydrogen 2.830 N/A GLY 209.A N ASP 212.A OD1 no hydrogen 2.999 N/A ASP 212.A N GLY 209.A O no hydrogen 3.190 N/A GLY 213.A N GLY 209.A O no hydrogen 2.796 N/A LEU 214.A N ASP 212.A OD1 no hydrogen 2.980 N/A THR 215.A N ASP 218.A OD2 no hydrogen 3.176 N/A ASP 218.A N THR 215.A OG1 no hydrogen 3.099 N/A LEU 219.A N THR 215.A O no hydrogen 3.081 N/A GLN 220.A N GLN 216.A O no hydrogen 3.032 N/A MET 221.A N GLN 217.A O no hydrogen 3.066 N/A TYR 222.A N ASP 218.A O no hydrogen 3.070 N/A GLU 223.A N LEU 219.A O no hydrogen 3.154 N/A GLU 224.A N GLN 220.A O no hydrogen 2.959 N/A ALA 225.A N MET 221.A O no hydrogen 3.173 N/A TYR 226.A N TYR 222.A O no hydrogen 3.045 N/A TYR 226.A N GLU 223.A O no hydrogen 3.215 N/A LEU 227.A N GLU 223.A O no hydrogen 2.978 N/A SER 228.A N ASP 232.A OD2 no hydrogen 3.298 N/A ASN 229.A N ASP 232.A OD2 no hydrogen 3.258 N/A ASP 232.A N ASN 229.A O no hydrogen 2.766 N/A ARG 233.A N ASP 230.A O no hydrogen 3.010 N/A ARG 233.A NE GLU 223.A OE2 no hydrogen 3.165 N/A GLU 234.A N ALA 231.A O no hydrogen 3.015 N/A SER 235.A N ASP 232.A O no hydrogen 3.069 N/A TYR 237.A N SER 235.A OG no hydrogen 3.148 N/A TYR 237.A OH ASP 178.A OD2 no hydrogen 2.485 N/A TYR 238.A N SER 235.A O no hydrogen 3.097 N/A TYR 238.A OH GLU 223.A OE1 no hydrogen 2.786 N/A CYS 239.A SG GLY 197.A O no hydrogen 3.669 N/A CYS 239.A SG ASN 242.A OD1 no hydrogen 3.546 N/A LEU 240.A N TYR 196.A O no hydrogen 2.936 N/A ASN 242.A N CYS 239.A O no hydrogen 2.797 N/A ASN 242.A ND2 GLU 234.A O no hydrogen 2.987 N/A ASN 242.A ND2 GLU 234.A OE1 no hydrogen 2.966 N/A ASN 243.A N LEU 240.A O no hydrogen 2.948 N/A ASN 243.A ND2 ASP 178.A OD2 no hydrogen 2.996 N/A ASN 243.A ND2 PRO 236.A O no hydrogen 3.156 N/A ASP 244.A N ASN 243.A OD1 no hydrogen 2.632 N/A THR 246.A N ASP 244.A OD1 no hydrogen 3.048 N/A THR 246.A OG1 ASP 244.A OD1 no hydrogen 2.654 N/A VAL 249.A N GLN 278.A OE1 no hydrogen 2.982 N/A CYS 252.A N PRO 279.A O no hydrogen 3.209 N/A CYS 252.A SG PRO 250.A O no hydrogen 3.521 N/A PHE 253.A N VAL 189.A O no hydrogen 2.805 N/A ILE 254.A N GLU 281.A O no hydrogen 2.850 N/A ALA 255.A N LEU 191.A O no hydrogen 2.977 N/A GLY 256.A N LYS 283.A O no hydrogen 2.822 N/A GLU 258.A N TYR 285.A O no hydrogen 3.438 N/A GLU 258.A N THR 288.A OG1 no hydrogen 3.292 N/A PHE 259.A N THR 288.A O no hydrogen 2.958 N/A ASP 260.A N ALA 257.A O no hydrogen 3.301 N/A LEU 262.A N ASP 260.A OD1 no hydrogen 2.868 N/A LEU 263.A N ASP 260.A O no hydrogen 2.924 N/A ASP 264.A N THR 203.A OG1 no hydrogen 3.032 N/A ASP 265.A N LEU 262.A O no hydrogen 2.860 N/A ARG 267.A N LEU 263.A O no hydrogen 3.004 N/A ARG 267.A NH1 ASP 264.A OD1 no hydrogen 2.973 N/A LEU 268.A N ASP 264.A O no hydrogen 2.820 N/A LEU 269.A N ASP 265.A O no hydrogen 3.110 N/A TYR 270.A N SER 266.A O no hydrogen 2.953 N/A GLN 271.A N ARG 267.A O no hydrogen 2.829 N/A THR 272.A N LEU 268.A O no hydrogen 2.878 N/A THR 272.A OG1 LEU 268.A O no hydrogen 2.711 N/A LEU 273.A N LEU 269.A O no hydrogen 3.076 N/A ALA 274.A N TYR 270.A O no hydrogen 2.788 N/A ALA 275.A N GLN 271.A O no hydrogen 2.922 N/A HIS 276.A N LEU 273.A O no hydrogen 3.099 N/A HIS 276.A ND1 THR 272.A O no hydrogen 2.887 N/A GLN 277.A N ALA 274.A O no hydrogen 3.174 N/A GLN 278.A N LEU 273.A O no hydrogen 2.878 N/A GLN 278.A NE2 HIS 276.A O no hydrogen 3.268 N/A CYS 280.A SG GLN 278.A O no hydrogen 3.327 N/A GLU 281.A N CYS 252.A O no hydrogen 2.948 N/A LYS 283.A N ILE 254.A O no hydrogen 3.052 N/A LYS 283.A NZ GLU 304.A OE2 no hydrogen 2.716 N/A LYS 283.A NZ ASP 308.A OD2 no hydrogen 2.749 N/A TYR 285.A N GLY 256.A O no hydrogen 2.932 N/A TYR 285.A OH ASP 308.A OD2 no hydrogen 2.597 N/A GLY 287.A N GLU 258.A OE1 no hydrogen 2.769 N/A THR 288.A OG1 TYR 285.A O no hydrogen 2.598 N/A HIS 290.A ND1 ASP 260.A OD2 no hydrogen 2.554 N/A LEU 293.A N TYR 193.A OH no hydrogen 3.021 N/A HIS 294.A N ALA 291.A O no hydrogen 3.431 N/A TYR 295.A N PHE 292.A O no hydrogen 2.951 N/A MET 298.A N TYR 295.A O no hydrogen 2.974 N/A MET 299.A N TYR 295.A O no hydrogen 2.629 N/A LYS 300.A N GLU 15.A OE1 no hydrogen 3.178 N/A THR 301.A N GLU 15.A OE2 no hydrogen 2.842 N/A THR 301.A OG1 GLU 15.A OE2 no hydrogen 2.757 N/A ASP 303.A N MET 299.A O no hydrogen 3.239 N/A GLU 304.A N LYS 300.A O no hydrogen 2.755 N/A ALA 305.A N THR 301.A O no hydrogen 2.966 N/A LEU 306.A N ALA 302.A O no hydrogen 3.112 N/A ARG 307.A N ASP 303.A O no hydrogen 2.930 N/A ARG 307.A NE ASP 303.A OD2 no hydrogen 2.849 N/A ARG 307.A NH2 ASP 303.A OD2 no hydrogen 3.403 N/A ASP 308.A N GLU 304.A O no hydrogen 2.792 N/A GLY 309.A N ALA 305.A O no hydrogen 3.308 N/A ALA 310.A N LEU 306.A O no hydrogen 2.994 N/A GLN 311.A N ARG 307.A O no hydrogen 2.821 N/A PHE 312.A N ASP 308.A O no hydrogen 2.858 N/A PHE 313.A N GLY 309.A O no hydrogen 2.873 N/A THR 314.A N ALA 310.A O no hydrogen 3.093 N/A THR 314.A OG1 ALA 310.A O no hydrogen 3.315 N/A THR 314.A OG1 GLN 311.A O no hydrogen 2.895 N/A ALA 315.A N GLN 311.A O no hydrogen 2.892 N/A GLN 316.A N PHE 313.A O no hydrogen 2.980 N/A GLN 316.A NE2 PHE 312.A O no hydrogen 3.362 N/A LEU 317.A N THR 314.A O no hydrogen 3.162 N/A