Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1gdd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N ASP 1.A OD2 no hydrogen 2.784 N/A VAL 5.A N ASP 1.A O no hydrogen 2.809 N/A GLU 6.A N LYS 2.A O no hydrogen 2.729 N/A ARG 7.A N ALA 3.A O no hydrogen 2.687 N/A ARG 7.A NH2 LYS 184.A O no hydrogen 2.267 N/A SER 8.A N ALA 4.A O no hydrogen 2.992 N/A SER 8.A OG ALA 4.A O no hydrogen 2.762 N/A LYS 9.A NZ GLU 6.A OE2 no hydrogen 3.166 N/A MET 10.A N ARG 7.A O no hydrogen 3.172 N/A ARG 13.A NH1 GLY 19.A O no hydrogen 2.728 N/A ARG 13.A NH1 ALA 22.A O no hydrogen 2.655 N/A ARG 13.A NH2 ALA 22.A O no hydrogen 3.337 N/A ASN 14.A N ILE 11.A O no hydrogen 3.228 N/A LEU 15.A N ASP 12.A O no hydrogen 2.916 N/A ARG 16.A N ARG 13.A O no hydrogen 3.202 N/A GLY 19.A N ARG 16.A O no hydrogen 3.034 N/A LYS 21.A N ASP 18.A O no hydrogen 3.251 N/A ALA 22.A N GLY 19.A O no hydrogen 2.860 N/A ALA 23.A N PHE 324.A O no hydrogen 2.830 N/A ARG 24.A NH1 ASP 12.A OD2 no hydrogen 2.826 N/A ARG 24.A NH1 CYS 321.A O no hydrogen 2.956 N/A ARG 24.A NH2 ASP 12.A OD1 no hydrogen 3.135 N/A GLU 25.A N GLY 322.A O no hydrogen 2.936 N/A VAL 26.A N HIS 187.A O no hydrogen 2.960 N/A LYS 27.A N THR 195.A OG1 no hydrogen 3.150 N/A LEU 28.A N LYS 189.A O no hydrogen 2.848 N/A LEU 29.A N ALA 196.A O no hydrogen 3.126 N/A LEU 30.A N PHE 191.A O no hydrogen 2.803 N/A LEU 31.A N ILE 198.A O no hydrogen 2.792 N/A SER 36.A N ALA 33.A O no hydrogen 3.282 N/A SER 36.A OG ALA 33.A O no hydrogen 2.703 N/A SER 36.A OG CYS 200.A O no hydrogen 3.320 N/A LYS 38.A NZ GLY 32.A O no hydrogen 3.492 N/A LYS 38.A NZ ALA 33.A O no hydrogen 3.130 N/A ILE 41.A N GLY 37.A O no hydrogen 3.013 N/A VAL 42.A N LYS 38.A O no hydrogen 3.044 N/A LYS 43.A N SER 39.A O no hydrogen 2.977 N/A GLN 44.A N THR 40.A O no hydrogen 2.913 N/A GLN 44.A NE2 THR 299.A OG1 no hydrogen 2.630 N/A MET 45.A N ILE 41.A O no hydrogen 3.146 N/A MET 45.A N VAL 42.A O no hydrogen 3.250 N/A LYS 46.A N LYS 43.A O no hydrogen 3.079 N/A LYS 46.A NZ TYR 53.A OH no hydrogen 2.623 N/A ILE 47.A N LYS 43.A O no hydrogen 2.943 N/A ILE 48.A N GLN 44.A O no hydrogen 2.859 N/A HIS 49.A N MET 45.A O no hydrogen 2.674 N/A GLU 50.A N LYS 46.A O no hydrogen 2.959 N/A SER 54.A N GLU 57.A OE2 no hydrogen 2.909 N/A SER 54.A OG GLU 57.A OE2 no hydrogen 3.118 N/A GLU 57.A N SER 54.A OG no hydrogen 2.934 N/A CYS 58.A N SER 54.A O no hydrogen 2.537 N/A CYS 58.A SG TYR 53.A O no hydrogen 3.877 N/A CYS 58.A SG SER 54.A O no hydrogen 3.690 N/A LYS 59.A N GLU 55.A O no hydrogen 2.900 N/A GLN 60.A N GLU 57.A O no hydrogen 3.004 N/A GLN 60.A NE2 GLU 56.A O no hydrogen 3.106 N/A TYR 61.A N CYS 58.A O no hydrogen 2.829 N/A LYS 62.A N LYS 59.A O no hydrogen 3.467 N/A VAL 64.A N TYR 61.A O no hydrogen 3.150 N/A VAL 65.A N TYR 61.A O no hydrogen 2.929 N/A TYR 66.A N LYS 62.A O no hydrogen 2.992 N/A SER 67.A N ALA 63.A O no hydrogen 2.930 N/A ASN 68.A N VAL 64.A O no hydrogen 2.721 N/A ASN 68.A ND2 ARG 170.A O no hydrogen 3.408 N/A THR 69.A N VAL 65.A O no hydrogen 2.820 N/A THR 69.A OG1 VAL 65.A O no hydrogen 2.765 N/A ILE 70.A N TYR 66.A O no hydrogen 2.887 N/A GLN 71.A N SER 67.A O no hydrogen 3.067 N/A SER 72.A N ASN 68.A O no hydrogen 3.003 N/A SER 72.A OG ASN 68.A O no hydrogen 2.649 N/A ILE 73.A N THR 69.A O no hydrogen 3.036 N/A ILE 74.A N ILE 70.A O no hydrogen 2.824 N/A ALA 75.A N GLN 71.A O no hydrogen 2.940 N/A ILE 76.A N SER 72.A O no hydrogen 3.192 N/A ILE 77.A N ILE 73.A O no hydrogen 3.022 N/A ARG 78.A N ILE 74.A O no hydrogen 2.760 N/A ALA 79.A N ALA 75.A O no hydrogen 3.105 N/A MET 80.A N ILE 76.A O no hydrogen 3.094 N/A GLY 81.A N ARG 78.A O no hydrogen 3.097 N/A ARG 82.A N ARG 78.A O no hydrogen 3.376 N/A LEU 83.A N ALA 79.A O no hydrogen 2.586 N/A LYS 84.A N GLY 81.A O no hydrogen 3.146 N/A ILE 85.A N MET 80.A O no hydrogen 2.862 N/A GLY 88.A N ASP 125.A OD2 no hydrogen 2.760 N/A ASP 89.A N ASP 125.A OD1 no hydrogen 3.109 N/A ARG 92.A N ASP 89.A O no hydrogen 3.188 N/A ALA 93.A N ALA 90.A O no hydrogen 3.377 N/A ASP 94.A N ALA 91.A O no hydrogen 2.961 N/A ALA 96.A N ARG 92.A O no hydrogen 2.952 N/A ARG 97.A N ALA 93.A O no hydrogen 3.411 N/A GLN 98.A N ASP 94.A O no hydrogen 3.012 N/A LEU 99.A N ASP 95.A O no hydrogen 2.784 N/A PHE 100.A N ALA 96.A O no hydrogen 3.409 N/A VAL 101.A N ARG 97.A O no hydrogen 2.962 N/A LEU 102.A N GLN 98.A O no hydrogen 2.867 N/A ALA 103.A N LEU 99.A O no hydrogen 2.700 N/A GLY 104.A N PHE 100.A O no hydrogen 2.687 N/A ALA 105.A N LEU 102.A O no hydrogen 3.305 N/A ALA 106.A N ALA 103.A O no hydrogen 3.113 N/A LEU 115.A N THR 112.A OG1 no hydrogen 2.669 N/A ALA 116.A N THR 112.A O no hydrogen 2.489 N/A GLY 117.A N ALA 113.A O no hydrogen 2.970 N/A VAL 118.A N GLU 114.A O no hydrogen 3.095 N/A ILE 119.A N LEU 115.A O no hydrogen 3.019 N/A LYS 120.A N ALA 116.A O no hydrogen 2.996 N/A LYS 120.A NZ ASP 152.A OD1 no hydrogen 3.510 N/A ARG 121.A N GLY 117.A O no hydrogen 3.018 N/A ARG 121.A NE ASP 95.A OD1 no hydrogen 3.245 N/A ARG 121.A NE ASP 95.A OD2 no hydrogen 2.662 N/A ARG 121.A NH2 ASP 95.A OD1 no hydrogen 2.890 N/A LEU 122.A N VAL 118.A O no hydrogen 3.053 N/A TRP 123.A N ILE 119.A O no hydrogen 2.855 N/A TRP 123.A NE1 ASN 149.A OD1 no hydrogen 2.679 N/A LYS 124.A N LYS 120.A O no hydrogen 2.801 N/A ASP 125.A N LEU 122.A O no hydrogen 2.750 N/A VAL 128.A N ASP 125.A OD2 no hydrogen 2.960 N/A GLN 129.A N ASP 125.A O no hydrogen 2.737 N/A GLN 129.A NE2 TRP 123.A O no hydrogen 2.574 N/A ALA 130.A N SER 126.A O no hydrogen 2.791 N/A CYS 131.A N GLY 127.A O no hydrogen 2.998 N/A CYS 131.A SG ILE 76.A O no hydrogen 3.376 N/A CYS 131.A SG TYR 138.A OH no hydrogen 3.737 N/A PHE 132.A N VAL 128.A O no hydrogen 2.696 N/A ASN 133.A N GLN 129.A O no hydrogen 2.821 N/A ARG 134.A N CYS 131.A O no hydrogen 2.760 N/A ARG 134.A NE GLU 137.A OE2 no hydrogen 3.047 N/A ARG 134.A NH2 GLU 137.A OE1 no hydrogen 2.865 N/A SER 135.A N PHE 132.A O no hydrogen 2.824 N/A SER 135.A OG PHE 132.A O no hydrogen 2.603 N/A ARG 136.A NE ASP 207.A O no hydrogen 2.434 N/A GLU 137.A N ARG 134.A O no hydrogen 2.755 N/A TYR 138.A N SER 135.A O no hydrogen 3.324 N/A TYR 138.A OH CYS 131.A O no hydrogen 2.612 N/A ASN 141.A ND2 GLN 71.A OE1 no hydrogen 2.753 N/A SER 143.A OG ARG 168.A O no hydrogen 2.672 N/A ALA 144.A N ASN 141.A O no hydrogen 3.118 N/A TYR 146.A OH ASP 165.A OD1 no hydrogen 2.717 N/A TYR 147.A N SER 143.A O no hydrogen 2.829 N/A TYR 147.A OH ASP 165.A O no hydrogen 2.550 N/A LEU 148.A N ALA 144.A O no hydrogen 2.719 N/A ASN 149.A N ALA 145.A O no hydrogen 2.813 N/A ASP 150.A N TYR 147.A O no hydrogen 3.076 N/A LEU 151.A N LEU 148.A O no hydrogen 3.248 N/A ARG 153.A NE ASP 150.A OD2 no hydrogen 3.008 N/A ARG 153.A NH1 ASP 165.A OD1 no hydrogen 3.431 N/A ARG 153.A NH1 ASP 165.A OD2 no hydrogen 2.780 N/A ARG 153.A NH2 ASP 150.A OD2 no hydrogen 3.077 N/A ARG 153.A NH2 ASP 165.A OD1 no hydrogen 2.944 N/A ILE 154.A N ASP 150.A O no hydrogen 3.056 N/A ALA 155.A N LEU 151.A O no hydrogen 2.430 N/A GLN 156.A N ASP 152.A O no hydrogen 2.865 N/A GLN 156.A N ARG 153.A O no hydrogen 3.221 N/A GLN 156.A NE2 ASP 152.A O no hydrogen 2.551 N/A ASN 158.A ND2 PRO 157.A O no hydrogen 3.410 N/A TYR 159.A N GLN 156.A O no hydrogen 2.871 N/A TYR 159.A OH ASP 165.A OD2 no hydrogen 2.871 N/A THR 162.A N ASP 165.A OD2 no hydrogen 2.914 N/A GLN 163.A NE2 ALA 51.A O no hydrogen 3.484 N/A GLN 163.A NE2 TYR 53.A O no hydrogen 3.495 N/A GLN 164.A NE2 THR 297.A O no hydrogen 2.762 N/A ASP 165.A N THR 162.A OG1 no hydrogen 3.031 N/A VAL 166.A N THR 162.A O no hydrogen 2.838 N/A LEU 167.A N GLN 163.A O no hydrogen 2.857 N/A ARG 168.A N GLN 164.A O no hydrogen 2.848 N/A ARG 168.A NE GLN 164.A OE1 no hydrogen 2.565 N/A THR 169.A N VAL 166.A O no hydrogen 3.120 N/A THR 169.A OG1 VAL 166.A O no hydrogen 2.546 N/A ARG 170.A N ASN 68.A OD1 no hydrogen 3.015 N/A THR 173.A OG1 VAL 171.A O no hydrogen 3.230 N/A VAL 177.A N ASP 192.A O no hydrogen 3.186 N/A THR 179.A N MET 190.A O no hydrogen 2.713 N/A HIS 180.A NE2 GLU 178.A OE2 no hydrogen 2.724 N/A PHE 181.A N PHE 188.A O no hydrogen 3.175 N/A PHE 183.A N LEU 186.A O no hydrogen 2.946 N/A LYS 184.A NZ ASP 307.A O no hydrogen 2.911 N/A LYS 184.A NZ ASP 307.A OD1 no hydrogen 2.969 N/A LYS 184.A NZ ASP 311.A OD1 no hydrogen 2.825 N/A LYS 184.A NZ ASP 311.A OD2 no hydrogen 3.469 N/A LEU 186.A N PHE 183.A O no hydrogen 3.049 N/A HIS 187.A N ARG 24.A O no hydrogen 2.908 N/A PHE 188.A N PHE 181.A O no hydrogen 2.794 N/A LYS 189.A N VAL 26.A O no hydrogen 2.760 N/A MET 190.A N THR 179.A O no hydrogen 2.642 N/A PHE 191.A N LEU 28.A O no hydrogen 2.778 N/A ASP 192.A N VAL 177.A O no hydrogen 2.913 N/A THR 195.A N LYS 27.A O no hydrogen 2.702 N/A THR 195.A OG1 LYS 27.A O no hydrogen 3.432 N/A ALA 196.A N LYS 27.A O no hydrogen 3.381 N/A ILE 197.A N SER 233.A O no hydrogen 2.804 N/A ILE 198.A N LEU 29.A O no hydrogen 2.966 N/A PHE 199.A N ILE 235.A O no hydrogen 2.807 N/A CYS 200.A N LEU 31.A O no hydrogen 2.603 N/A CYS 200.A SG LEU 31.A O no hydrogen 3.949 N/A VAL 201.A N PHE 237.A O no hydrogen 2.965 N/A LEU 203.A N ASN 239.A O no hydrogen 2.767 N/A ASP 205.A N ALA 202.A O no hydrogen 3.142 N/A HIS 214.A N ASN 211.A OD1 no hydrogen 3.033 N/A GLU 215.A N ASN 211.A O no hydrogen 2.875 N/A SER 216.A N ARG 212.A O no hydrogen 3.095 N/A MET 217.A N MET 213.A O no hydrogen 3.007 N/A LYS 218.A N HIS 214.A O no hydrogen 2.959 N/A LYS 218.A NZ GLU 215.A OE2 no hydrogen 3.045 N/A LEU 219.A N GLU 215.A O no hydrogen 3.050 N/A PHE 220.A N SER 216.A O no hydrogen 2.744 N/A ASP 221.A N MET 217.A O no hydrogen 2.720 N/A SER 222.A N LYS 218.A O no hydrogen 3.382 N/A SER 222.A OG LEU 219.A O no hydrogen 2.641 N/A ILE 223.A N LEU 219.A O no hydrogen 2.937 N/A CYS 224.A N PHE 220.A O no hydrogen 2.857 N/A CYS 224.A SG PHE 220.A O no hydrogen 3.752 N/A ASN 225.A N ASP 221.A O no hydrogen 3.160 N/A ASN 225.A ND2 ASP 221.A O no hydrogen 2.594 N/A ASN 225.A ND2 ASP 221.A OD1 no hydrogen 2.965 N/A ASN 225.A ND2 LEU 280.A O no hydrogen 2.686 N/A ASN 226.A N ILE 223.A O no hydrogen 3.017 N/A TRP 228.A N ASN 226.A OD1 no hydrogen 2.438 N/A PHE 229.A N ASN 226.A O no hydrogen 2.926 N/A THR 230.A N LYS 227.A O no hydrogen 3.046 N/A THR 230.A OG1 LYS 227.A O no hydrogen 2.338 N/A THR 232.A N PHE 229.A O no hydrogen 2.852 N/A THR 232.A OG1 VAL 194.A O no hydrogen 2.814 N/A SER 233.A N THR 195.A O no hydrogen 3.077 N/A SER 233.A OG ASN 317.A OD1 no hydrogen 2.702 N/A ILE 235.A N ILE 197.A O no hydrogen 2.800 N/A LEU 236.A N TYR 290.A O no hydrogen 2.754 N/A PHE 237.A N PHE 199.A O no hydrogen 2.897 N/A LEU 238.A N HIS 292.A O no hydrogen 2.674 N/A ASN 239.A N VAL 201.A O no hydrogen 2.712 N/A ASN 239.A ND2 SER 36.A O no hydrogen 2.742 N/A LYS 240.A NZ GLU 35.A O no hydrogen 2.748 N/A LYS 240.A NZ ASP 142.A OD2 no hydrogen 2.568 N/A LYS 241.A N THR 294.A O no hydrogen 3.036 N/A LYS 241.A NZ PHE 293.A O no hydrogen 2.864 N/A PHE 244.A N LYS 240.A O no hydrogen 2.866 N/A GLU 245.A N LYS 241.A O no hydrogen 2.866 N/A LYS 247.A N LEU 243.A O no hydrogen 2.919 N/A LYS 247.A NZ SER 204.A O no hydrogen 2.718 N/A LYS 247.A NZ ASP 207.A OD1 no hydrogen 2.576 N/A ILE 248.A N PHE 244.A O no hydrogen 2.747 N/A LYS 249.A N GLU 246.A O no hydrogen 3.284 N/A LYS 250.A N LYS 247.A O no hydrogen 3.283 N/A SER 251.A N LYS 247.A O no hydrogen 2.912 N/A SER 251.A OG ASP 207.A OD2 no hydrogen 2.947 N/A LEU 253.A N ASN 264.A OD1 no hydrogen 2.514 N/A ILE 255.A N PRO 252.A O no hydrogen 2.843 N/A CYS 256.A N LEU 253.A O no hydrogen 2.798 N/A CYS 256.A SG ASN 211.A OD1 no hydrogen 3.388 N/A TYR 257.A N LEU 253.A O no hydrogen 2.924 N/A GLU 259.A N GLU 259.A OE1 no hydrogen 2.644 N/A TYR 260.A N TYR 257.A O no hydrogen 2.934 N/A TYR 260.A OH SER 263.A O no hydrogen 2.733 N/A SER 263.A N GLU 268.A OE1 no hydrogen 2.755 N/A SER 263.A OG GLU 268.A OE2 no hydrogen 3.375 N/A THR 265.A N SER 263.A O no hydrogen 2.816 N/A GLU 268.A N THR 265.A OG1 no hydrogen 3.237 N/A ALA 269.A N THR 265.A O no hydrogen 2.863 N/A ALA 270.A N TYR 266.A O no hydrogen 2.906 N/A ALA 271.A N GLU 267.A O no hydrogen 3.092 N/A TYR 272.A N GLU 268.A O no hydrogen 3.027 N/A TYR 272.A OH GLU 259.A OE2 no hydrogen 2.550 N/A ILE 273.A N ALA 269.A O no hydrogen 3.189 N/A GLN 274.A N ALA 270.A O no hydrogen 3.150 N/A GLN 274.A NE2 GLU 278.A OE1 no hydrogen 3.019 N/A GLN 274.A NE2 GLU 278.A OE2 no hydrogen 3.048 N/A CYS 275.A N ALA 271.A O no hydrogen 2.946 N/A CYS 275.A SG ALA 271.A O no hydrogen 3.471 N/A GLN 276.A N TYR 272.A O no hydrogen 2.821 N/A GLN 276.A NE2 TYR 272.A O no hydrogen 3.682 N/A PHE 277.A N ILE 273.A O no hydrogen 2.906 N/A GLU 278.A N GLN 274.A O no hydrogen 3.036 N/A ASP 279.A N CYS 275.A O no hydrogen 2.982 N/A LEU 280.A N PHE 277.A O no hydrogen 3.005 N/A ASN 281.A N GLU 278.A O no hydrogen 3.247 N/A ASN 281.A ND2 LYS 287.A O no hydrogen 2.901 N/A LYS 282.A N ASN 225.A OD1 no hydrogen 2.709 N/A ARG 283.A N ASN 281.A OD1 no hydrogen 3.071 N/A ARG 283.A NH1 THR 230.A OG1 no hydrogen 3.240 N/A LYS 284.A NZ ASP 279.A O no hydrogen 3.431 N/A LYS 284.A NZ ASP 279.A OD1 no hydrogen 2.653 N/A THR 286.A N ARG 283.A O no hydrogen 2.998 N/A LYS 287.A N ARG 283.A O no hydrogen 2.606 N/A LYS 287.A NZ PHE 229.A O no hydrogen 3.286 N/A LYS 287.A NZ THR 230.A O no hydrogen 3.159 N/A LYS 287.A NZ THR 232.A O no hydrogen 3.562 N/A TYR 290.A N ILE 234.A O no hydrogen 2.899 N/A TYR 290.A OH GLU 288.A OE1 no hydrogen 3.329 N/A THR 291.A OG1 GLU 278.A OE2 no hydrogen 2.539 N/A HIS 292.A N LEU 236.A O no hydrogen 2.754 N/A THR 294.A N LEU 238.A O no hydrogen 2.715 N/A THR 294.A OG1 ASN 239.A OD1 no hydrogen 2.804 N/A CYS 295.A N ASN 301.A OD1 no hydrogen 2.881 N/A CYS 295.A SG THR 297.A OG1 no hydrogen 3.408 N/A ALA 296.A N ASN 239.A OD1 no hydrogen 2.895 N/A ASP 298.A N CYS 295.A O no hydrogen 3.033 N/A LYS 300.A N ASP 298.A OD1 no hydrogen 3.153 N/A ASN 301.A N ASP 298.A OD1 no hydrogen 3.228 N/A VAL 302.A N ASP 298.A O no hydrogen 3.180 N/A GLN 303.A N THR 299.A O no hydrogen 2.949 N/A PHE 304.A N LYS 300.A O no hydrogen 2.915 N/A VAL 305.A N ASN 301.A O no hydrogen 2.712 N/A PHE 306.A N VAL 302.A O no hydrogen 2.652 N/A ASP 307.A N GLN 303.A O no hydrogen 2.941 N/A ALA 308.A N PHE 304.A O no hydrogen 3.268 N/A VAL 309.A N VAL 305.A O no hydrogen 2.809 N/A THR 310.A N PHE 306.A O no hydrogen 2.822 N/A THR 310.A OG1 PHE 306.A O no hydrogen 2.975 N/A ASP 311.A N ASP 307.A O no hydrogen 3.042 N/A VAL 312.A N ALA 308.A O no hydrogen 3.180 N/A ILE 313.A N VAL 309.A O no hydrogen 3.187 N/A ILE 314.A N THR 310.A O no hydrogen 3.071 N/A LYS 315.A N ASP 311.A O no hydrogen 2.986 N/A ASN 316.A N VAL 312.A O no hydrogen 2.775 N/A ASN 316.A ND2 TYR 290.A OH no hydrogen 2.945 N/A ASN 317.A N ILE 313.A O no hydrogen 2.562 N/A ASN 317.A ND2 ASP 231.A O no hydrogen 3.165 N/A LEU 318.A N ILE 314.A O no hydrogen 3.466 N/A ASP 320.A N ASN 317.A O no hydrogen 2.802 N/A CYS 321.A N LEU 318.A O no hydrogen 2.800 N/A CYS 321.A SG ASN 317.A O no hydrogen 3.604 N/A PHE 324.A N ALA 23.A O no hydrogen 2.793 N/A