Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xdw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A N ASP 47.A OD2 no hydrogen 2.883 N/A VAL 3.A N ASP 26.A O no hydrogen 2.904 N/A LEU 4.A N ALA 48.A O no hydrogen 2.895 N/A CYS 5.A N LYS 28.A O no hydrogen 2.859 N/A TYR 6.A N ILE 50.A O no hydrogen 2.978 N/A TYR 6.A OH THR 39.A O no hydrogen 2.563 N/A TYR 6.A OH TYR 65.A OH no hydrogen 2.777 N/A GLY 7.A N ASP 32.A O no hydrogen 2.842 N/A VAL 8.A N VAL 30.A O no hydrogen 2.937 N/A ARG 9.A N GLU 12.A OE1 no hydrogen 2.794 N/A GLU 12.A N ARG 9.A O no hydrogen 2.754 N/A LEU 13.A N ARG 9.A O no hydrogen 3.258 N/A LEU 13.A N ASP 10.A O no hydrogen 3.253 N/A ILE 15.A N GLU 12.A O no hydrogen 2.798 N/A PHE 16.A N GLU 12.A O no hydrogen 3.102 N/A GLU 17.A N LEU 13.A O no hydrogen 3.049 N/A ALA 18.A N PRO 14.A O no hydrogen 2.894 N/A CYS 19.A N ILE 15.A O no hydrogen 2.962 N/A CYS 19.A SG ILE 15.A O no hydrogen 3.267 N/A CYS 19.A SG LYS 307.A O no hydrogen 3.984 N/A ASN 20.A N PHE 16.A O no hydrogen 3.251 N/A ASN 20.A N GLU 17.A O no hydrogen 3.054 N/A ASN 20.A ND2 TYR 25.A O no hydrogen 2.846 N/A LYS 21.A N ALA 18.A O no hydrogen 3.206 N/A PHE 23.A N ASN 20.A O no hydrogen 2.901 N/A GLY 24.A N ASN 20.A O no hydrogen 2.846 N/A TYR 25.A N ASN 20.A OD1 no hydrogen 2.926 N/A TYR 25.A OH TYR 314.A O no hydrogen 2.759 N/A ASP 26.A N MET 1.A O no hydrogen 2.748 N/A LYS 28.A N VAL 3.A O no hydrogen 2.886 N/A VAL 30.A N CYS 5.A O no hydrogen 2.923 N/A ASN 35.A N THR 39.A OG1 no hydrogen 2.862 N/A THR 36.A N ASN 35.A OD1 no hydrogen 2.690 N/A THR 36.A OG1 GLU 38.A OE1 no hydrogen 3.523 N/A GLU 38.A N GLU 38.A OE1 no hydrogen 2.919 N/A THR 39.A N THR 36.A OG1 no hydrogen 3.240 N/A THR 39.A OG1 TYR 33.A O no hydrogen 3.520 N/A THR 39.A OG1 ASN 35.A OD1 no hydrogen 3.557 N/A THR 39.A OG1 THR 36.A O no hydrogen 2.623 N/A ALA 40.A N THR 36.A O no hydrogen 3.268 N/A GLU 41.A N LYS 37.A O no hydrogen 2.926 N/A MET 42.A N GLU 38.A O no hydrogen 3.108 N/A ALA 43.A N ALA 40.A O no hydrogen 3.058 N/A ALA 44.A N GLU 41.A O no hydrogen 2.917 N/A PHE 46.A N ALA 43.A O no hydrogen 3.015 N/A ASP 47.A N LYS 2.A O no hydrogen 2.851 N/A ALA 48.A N LYS 2.A O no hydrogen 3.092 N/A VAL 49.A N TYR 72.A O no hydrogen 3.104 N/A ILE 50.A N LEU 4.A O no hydrogen 2.689 N/A LEU 51.A N LEU 74.A O no hydrogen 2.794 N/A ARG 52.A NH1 GLY 7.A O no hydrogen 2.851 N/A ARG 52.A NH1 GLU 12.A OE2 no hydrogen 2.952 N/A CYS 55.A SG GLY 53.A O no hydrogen 3.596 N/A PHE 56.A N LEU 34.A O no hydrogen 2.813 N/A ALA 57.A N HIS 82.A O no hydrogen 3.007 N/A GLN 60.A NE2 ASN 61.A OD1 no hydrogen 2.832 N/A ASN 61.A N ASN 58.A OD1 no hydrogen 3.003 N/A ASN 61.A ND2 ASN 35.A O no hydrogen 2.961 N/A ASN 61.A ND2 PHE 56.A O no hydrogen 2.878 N/A LEU 62.A N ASN 58.A O no hydrogen 2.770 N/A ASP 63.A N LYS 59.A O no hydrogen 2.887 N/A ILE 64.A N GLN 60.A O no hydrogen 3.157 N/A TYR 65.A N ASN 61.A O no hydrogen 2.990 N/A TYR 65.A OH TYR 6.A OH no hydrogen 2.777 N/A LYS 66.A N LEU 62.A O no hydrogen 2.967 N/A LYS 67.A N ASP 63.A O no hydrogen 3.012 N/A LEU 68.A N ILE 64.A O no hydrogen 2.915 N/A GLY 69.A N LYS 66.A O no hydrogen 2.852 N/A VAL 70.A N TYR 65.A O no hydrogen 2.999 N/A LYS 71.A N ASP 47.A O no hydrogen 2.745 N/A TYR 72.A N ASP 47.A O no hydrogen 3.107 N/A ILE 73.A N PRO 94.A O no hydrogen 3.239 N/A LEU 74.A N VAL 49.A O no hydrogen 2.920 N/A THR 75.A N ALA 96.A O no hydrogen 3.076 N/A THR 75.A OG1 LEU 51.A O no hydrogen 3.561 N/A THR 75.A OG1 THR 77.A OG1 no hydrogen 2.766 N/A THR 75.A OG1 HIS 82.A NE2 no hydrogen 2.774 N/A ARG 76.A N LEU 51.A O no hydrogen 2.912 N/A ARG 76.A NH1 GLU 12.A OE2 no hydrogen 2.863 N/A ARG 76.A NH2 TYR 6.A O no hydrogen 3.521 N/A ARG 76.A NH2 GLU 12.A OE1 no hydrogen 2.862 N/A THR 77.A OG1 THR 75.A OG1 no hydrogen 2.766 N/A THR 77.A OG1 GLY 79.A O no hydrogen 2.580 N/A HIS 82.A NE2 THR 75.A OG1 no hydrogen 2.774 N/A ILE 83.A N THR 80.A O no hydrogen 3.021 N/A ASP 84.A N ALA 57.A O no hydrogen 2.940 N/A LYS 85.A NZ THR 80.A OG1 no hydrogen 2.940 N/A TYR 87.A N ASP 84.A OD1 no hydrogen 3.168 N/A TYR 87.A OH ASP 63.A OD1 no hydrogen 2.520 N/A TYR 87.A OH ASP 63.A OD2 no hydrogen 3.428 N/A ALA 88.A N ASP 84.A O no hydrogen 2.892 N/A LYS 89.A N LYS 85.A O no hydrogen 2.948 N/A GLU 90.A N GLU 86.A O no hydrogen 3.032 N/A LEU 91.A N TYR 87.A O no hydrogen 3.027 N/A GLY 92.A N LYS 89.A O no hydrogen 2.736 N/A PHE 93.A N ALA 88.A O no hydrogen 2.994 N/A PHE 97.A N ASN 328.A O no hydrogen 2.982 N/A VAL 98.A N THR 77.A O no hydrogen 2.967 N/A TYR 101.A OH SER 300.A OG no hydrogen 2.649 N/A ALA 105.A N SER 102.A OG no hydrogen 3.072 N/A ALA 107.A N PRO 103.A O no hydrogen 3.084 N/A GLU 108.A N ASN 104.A O no hydrogen 2.864 N/A ALA 110.A N ILE 106.A O no hydrogen 2.978 N/A VAL 111.A N ALA 107.A O no hydrogen 2.919 N/A THR 112.A N GLU 108.A O no hydrogen 2.858 N/A THR 112.A OG1 GLU 108.A O no hydrogen 2.736 N/A GLN 113.A N LEU 109.A O no hydrogen 2.943 N/A ALA 114.A N ALA 110.A O no hydrogen 2.997 N/A MET 115.A N VAL 111.A O no hydrogen 2.945 N/A MET 116.A N THR 112.A O no hydrogen 2.886 N/A LEU 117.A N GLN 113.A O no hydrogen 3.097 N/A LEU 117.A N ALA 114.A O no hydrogen 3.233 N/A LEU 118.A N ALA 114.A O no hydrogen 2.802 N/A ARG 119.A N MET 115.A O no hydrogen 2.934 N/A HIS 120.A N LEU 117.A O no hydrogen 3.173 N/A HIS 120.A ND1 SER 141.A OG no hydrogen 2.745 N/A THR 121.A N MET 116.A O no hydrogen 2.995 N/A THR 121.A OG1 MET 116.A O no hydrogen 3.449 N/A ALA 122.A N MET 116.A O no hydrogen 3.392 N/A TYR 123.A OH ASP 136.A OD2 no hydrogen 2.519 N/A THR 124.A N HIS 120.A O no hydrogen 2.960 N/A THR 124.A OG1 HIS 120.A O no hydrogen 2.898 N/A THR 125.A N THR 121.A O no hydrogen 2.980 N/A THR 125.A OG1 THR 121.A O no hydrogen 2.576 N/A SER 126.A N ALA 122.A O no hydrogen 2.944 N/A SER 126.A OG ALA 122.A O no hydrogen 3.323 N/A SER 126.A OG TYR 123.A O no hydrogen 2.681 N/A ARG 127.A N TYR 123.A O no hydrogen 3.204 N/A ARG 127.A N THR 124.A O no hydrogen 3.034 N/A ARG 127.A NH2 LYS 134.A O no hydrogen 3.034 N/A THR 128.A N THR 124.A O no hydrogen 2.944 N/A THR 128.A OG1 THR 125.A O no hydrogen 3.526 N/A ALA 129.A N THR 125.A O no hydrogen 2.882 N/A LYS 130.A N ARG 127.A O no hydrogen 2.914 N/A LYS 131.A N THR 128.A O no hydrogen 2.914 N/A ASN 132.A N ARG 127.A O no hydrogen 2.999 N/A MET 139.A N ASP 136.A OD1 no hydrogen 3.027 N/A PHE 140.A N ALA 137.A O no hydrogen 2.935 N/A SER 141.A OG LEU 118.A O no hydrogen 3.339 N/A SER 141.A OG HIS 120.A ND1 no hydrogen 2.745 N/A SER 141.A OG MET 139.A O no hydrogen 2.971 N/A LYS 142.A NZ ASP 200.A OD1 no hydrogen 3.025 N/A ARG 145.A NE GLU 143.A OE1 no hydrogen 2.729 N/A ARG 145.A NH2 GLU 143.A OE1 no hydrogen 3.032 N/A ASN 146.A N GLU 143.A O no hydrogen 2.824 N/A CYS 147.A N VAL 144.A O no hydrogen 2.942 N/A CYS 147.A SG GLU 143.A O no hydrogen 3.412 N/A THR 148.A N ASP 200.A OD2 no hydrogen 2.963 N/A VAL 149.A N THR 171.A O no hydrogen 2.797 N/A GLY 150.A N ILE 201.A O no hydrogen 2.770 N/A VAL 151.A N ILE 173.A O no hydrogen 2.906 N/A VAL 152.A N THR 203.A O no hydrogen 3.005 N/A GLY 153.A N GLU 175.A O no hydrogen 2.817 N/A LEU 154.A N ASP 176.A OD2 no hydrogen 2.916 N/A ARG 156.A NH2 TYR 101.A O no hydrogen 3.147 N/A ARG 159.A N GLY 155.A O no hydrogen 2.920 N/A ARG 159.A NH1 LEU 154.A O no hydrogen 2.892 N/A VAL 160.A N ARG 156.A O no hydrogen 3.241 N/A ALA 161.A N ILE 157.A O no hydrogen 2.868 N/A ALA 162.A N GLY 158.A O no hydrogen 2.893 N/A GLN 163.A N ARG 159.A O no hydrogen 2.876 N/A GLN 163.A NE2 TYR 186.A OH no hydrogen 3.072 N/A ILE 164.A N VAL 160.A O no hydrogen 2.866 N/A PHE 165.A N ALA 161.A O no hydrogen 2.937 N/A HIS 166.A N ALA 162.A O no hydrogen 2.907 N/A GLY 167.A N GLN 163.A O no hydrogen 2.796 N/A MET 168.A N ILE 164.A O no hydrogen 3.072 N/A MET 168.A N PHE 165.A O no hydrogen 3.149 N/A GLY 169.A N HIS 166.A O no hydrogen 2.959 N/A ALA 170.A N PHE 165.A O no hydrogen 3.035 N/A THR 171.A N CYS 147.A O no hydrogen 3.062 N/A ILE 173.A N VAL 149.A O no hydrogen 2.810 N/A GLY 174.A N THR 188.A O no hydrogen 2.943 N/A GLU 175.A N VAL 151.A O no hydrogen 2.861 N/A PHE 178.A N ASP 176.A OD1 no hydrogen 2.880 N/A TYR 186.A N ILE 183.A O no hydrogen 2.838 N/A CYS 187.A N ILE 183.A O no hydrogen 2.835 N/A CYS 187.A SG VAL 172.A O no hydrogen 3.961 N/A THR 188.A N VAL 172.A O no hydrogen 3.072 N/A VAL 190.A N GLY 174.A O no hydrogen 2.711 N/A GLU 194.A N SER 191.A OG no hydrogen 3.156 N/A VAL 195.A N SER 191.A O no hydrogen 3.086 N/A LEU 196.A N LEU 192.A O no hydrogen 2.870 N/A GLU 197.A N ASP 193.A O no hydrogen 2.946 N/A LYS 198.A N GLU 194.A O no hydrogen 3.004 N/A LYS 198.A NZ GLU 194.A OE2 no hydrogen 2.679 N/A SER 199.A N VAL 195.A O no hydrogen 3.055 N/A SER 199.A OG VAL 195.A O no hydrogen 2.657 N/A ASP 200.A N THR 148.A O no hydrogen 2.809 N/A ILE 201.A N THR 148.A O no hydrogen 3.476 N/A ILE 202.A N ILE 229.A O no hydrogen 2.754 N/A THR 203.A N GLY 150.A O no hydrogen 2.870 N/A THR 203.A OG1 HIS 205.A NE2 no hydrogen 2.718 N/A ILE 204.A N VAL 231.A O no hydrogen 3.131 N/A HIS 205.A N VAL 152.A O no hydrogen 2.760 N/A ASN 212.A N ILE 209.A O no hydrogen 2.855 N/A GLY 213.A N ILE 209.A O no hydrogen 3.209 N/A VAL 216.A N LEU 238.A O no hydrogen 2.913 N/A ARG 218.A NE GLU 246.A OE1 no hydrogen 3.056 N/A ARG 218.A NH2 GLU 242.A OE1 no hydrogen 3.401 N/A ARG 218.A NH2 GLU 246.A OE1 no hydrogen 3.164 N/A ARG 218.A NH2 GLU 246.A OE2 no hydrogen 3.080 N/A PHE 220.A N THR 217.A OG1 no hydrogen 3.126 N/A LEU 221.A N THR 217.A O no hydrogen 3.017 N/A LYS 222.A N ARG 218.A O no hydrogen 2.932 N/A LYS 223.A N ASP 219.A O no hydrogen 3.421 N/A LYS 223.A N PHE 220.A O no hydrogen 3.171 N/A LYS 223.A NZ ASP 193.A OD1 no hydrogen 2.713 N/A MET 224.A N LEU 221.A O no hydrogen 2.992 N/A LYS 225.A NZ ASP 200.A OD1 no hydrogen 2.575 N/A GLY 227.A N GLY 251.A O no hydrogen 3.229 N/A GLY 227.A N LYS 252.A O no hydrogen 2.728 N/A ALA 228.A N LYS 225.A O no hydrogen 2.917 N/A ILE 229.A N ASP 200.A O no hydrogen 2.898 N/A LEU 230.A N GLY 255.A O no hydrogen 3.159 N/A VAL 231.A N ILE 202.A O no hydrogen 2.832 N/A ASN 232.A N GLY 257.A O no hydrogen 2.770 N/A ASN 232.A ND2 ARG 235.A O no hydrogen 3.054 N/A ALA 234.A N ASN 232.A OD1 no hydrogen 3.049 N/A GLN 237.A N GLN 237.A OE1 no hydrogen 2.925 N/A LEU 238.A N ARG 235.A O no hydrogen 3.103 N/A VAL 239.A N GLY 236.A O no hydrogen 3.294 N/A ASP 240.A N VAL 216.A O no hydrogen 2.988 N/A ALA 243.A N ASP 240.A OD1 no hydrogen 3.165 N/A VAL 244.A N ASP 240.A O no hydrogen 3.104 N/A ILE 245.A N THR 241.A O no hydrogen 2.932 N/A GLU 246.A N GLU 242.A O no hydrogen 3.006 N/A ALA 247.A N ALA 243.A O no hydrogen 3.077 N/A VAL 248.A N VAL 244.A O no hydrogen 2.880 N/A GLU 249.A N ILE 245.A O no hydrogen 2.941 N/A SER 250.A N GLU 246.A O no hydrogen 2.989 N/A SER 250.A OG GLU 246.A O no hydrogen 3.312 N/A SER 250.A OG ALA 247.A O no hydrogen 3.271 N/A GLY 251.A N VAL 248.A O no hydrogen 3.115 N/A LYS 252.A N SER 250.A OG no hydrogen 3.130 N/A LYS 252.A NZ LYS 222.A O no hydrogen 3.479 N/A LYS 252.A NZ MET 224.A O no hydrogen 2.730 N/A LYS 252.A NZ ASP 226.A OD1 no hydrogen 2.655 N/A LEU 253.A N ALA 247.A O no hydrogen 3.002 N/A GLY 254.A N ALA 228.A O no hydrogen 2.857 N/A TYR 256.A N ARG 291.A O no hydrogen 2.957 N/A GLY 257.A N LEU 230.A O no hydrogen 2.994 N/A CYS 258.A N LEU 293.A O no hydrogen 2.947 N/A CYS 258.A SG VAL 260.A O no hydrogen 3.653 N/A CYS 258.A SG LEU 293.A O no hydrogen 3.945 N/A ASP 259.A N ASN 232.A O no hydrogen 2.969 N/A LEU 261.A N GLU 264.A OE1 no hydrogen 2.856 N/A GLU 264.A N LEU 261.A O no hydrogen 2.912 N/A SER 266.A N GLY 263.A O no hydrogen 3.172 N/A SER 266.A OG GLY 263.A O no hydrogen 3.452 N/A VAL 267.A N GLU 264.A O no hydrogen 2.820 N/A PHE 268.A N GLU 264.A O no hydrogen 2.867 N/A LYS 270.A N VAL 267.A O no hydrogen 2.951 N/A GLU 273.A N ASP 271.A OD1 no hydrogen 3.281 N/A GLN 275.A N LEU 272.A O no hydrogen 3.027 N/A LEU 277.A N GLU 283.A OE1 no hydrogen 2.879 N/A LEU 281.A N ASN 279.A OD1 no hydrogen 2.850 N/A GLU 283.A N ASN 279.A O no hydrogen 3.080 N/A LYS 284.A N PRO 280.A O no hydrogen 3.060 N/A LEU 285.A N LEU 281.A O no hydrogen 2.927 N/A VAL 286.A N PHE 282.A O no hydrogen 3.004 N/A ASP 287.A N GLU 283.A O no hydrogen 3.038 N/A LEU 288.A N LYS 284.A O no hydrogen 2.889 N/A LEU 288.A N LEU 285.A O no hydrogen 3.190 N/A TYR 289.A N VAL 286.A O no hydrogen 3.185 N/A ARG 291.A N LEU 288.A O no hydrogen 2.865 N/A ARG 291.A NE GLY 254.A O no hydrogen 3.434 N/A ARG 291.A NH2 VAL 248.A O no hydrogen 2.563 N/A VAL 292.A N LEU 288.A O no hydrogen 3.264 N/A LEU 293.A N TYR 256.A O no hydrogen 2.904 N/A THR 295.A N CYS 258.A O no hydrogen 2.928 N/A THR 295.A OG1 GLN 113.A OE1 no hydrogen 3.036 N/A THR 295.A OG1 CYS 258.A O no hydrogen 3.448 N/A THR 295.A OG1 ASP 259.A OD1 no hydrogen 2.581 N/A HIS 297.A N THR 295.A O no hydrogen 2.894 N/A HIS 297.A ND1 GLU 264.A OE2 no hydrogen 3.063 N/A LEU 298.A N ASP 259.A OD1 no hydrogen 2.757 N/A GLY 299.A N ASP 259.A OD2 no hydrogen 2.937 N/A SER 300.A OG TYR 101.A OH no hydrogen 2.649 N/A TYR 301.A N LEU 298.A O no hydrogen 2.895 N/A ALA 305.A N THR 302.A OG1 no hydrogen 3.025 N/A VAL 306.A N THR 302.A O no hydrogen 2.944 N/A LYS 307.A N ASP 303.A O no hydrogen 3.044 N/A LYS 307.A NZ GLU 311.A OE1 no hydrogen 2.518 N/A ASN 308.A N GLU 304.A O no hydrogen 2.998 N/A MET 309.A N ALA 305.A O no hydrogen 2.868 N/A VAL 310.A N VAL 306.A O no hydrogen 2.895 N/A GLU 311.A N LYS 307.A O no hydrogen 2.847 N/A VAL 312.A N ASN 308.A O no hydrogen 2.876 N/A SER 313.A N MET 309.A O no hydrogen 3.106 N/A SER 313.A OG MET 309.A O no hydrogen 2.714 N/A TYR 314.A N VAL 310.A O no hydrogen 2.945 N/A TYR 314.A OH PHE 16.A O no hydrogen 2.698 N/A GLN 315.A N GLU 311.A O no hydrogen 2.913 N/A GLN 315.A NE2 ASP 319.A OD1 no hydrogen 2.736 N/A ASN 316.A N VAL 312.A O no hydrogen 2.702 N/A ASN 316.A ND2 PHE 97.A O no hydrogen 2.770 N/A LEU 317.A N SER 313.A O no hydrogen 2.994 N/A LYS 318.A N TYR 314.A O no hydrogen 3.042 N/A LYS 318.A NZ GLU 22.A OE2 no hydrogen 3.511 N/A ASP 319.A N GLN 315.A O no hydrogen 2.896 N/A LEU 320.A N ASN 316.A O no hydrogen 2.922 N/A ALA 321.A N LEU 317.A O no hydrogen 2.677 N/A GLU 322.A N LYS 318.A O no hydrogen 2.808 N/A THR 323.A N ASP 319.A O no hydrogen 2.804 N/A THR 323.A OG1 ASP 319.A O no hydrogen 2.639 N/A GLY 324.A N LEU 320.A O no hydrogen 2.853 N/A ASP 325.A N THR 323.A OG1 no hydrogen 3.145 N/A CYS 326.A SG ASN 316.A OD1 no hydrogen 3.188 N/A ASN 328.A ND2 ASN 316.A OD1 no hydrogen 2.981 N/A LYS 329.A N CYS 326.A O no hydrogen 3.240 N/A ILE 330.A N MET 95.A O no hydrogen 2.754 N/A