Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3r0k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG GLU 105.A OE1 no hydrogen 2.816 N/A LYS 3.A N ASP 33.A OD1 no hydrogen 3.172 N/A ILE 4.A N SER 70.A O no hydrogen 3.054 N/A ILE 5.A N THR 31.A O no hydrogen 2.782 N/A ASP 6.A N THR 31.A O no hydrogen 3.355 N/A LYS 8.A N GLU 29.A O no hydrogen 2.931 N/A LYS 8.A NZ ASP 6.A OD2 no hydrogen 3.398 N/A LYS 8.A NZ GLU 29.A OE2 no hydrogen 2.624 N/A LYS 8.A NZ TYR 346.A OH no hydrogen 3.492 N/A SER 10.A N ALA 27.A O no hydrogen 2.939 N/A ILE 12.A N SER 25.A O no hydrogen 2.861 N/A ILE 14.A N ILE 23.A O no hydrogen 3.073 N/A LYS 17.A N TRP 311.A O no hydrogen 2.727 N/A LYS 17.A NZ ASP 310.A O no hydrogen 3.506 N/A ARG 18.A NH1 ASP 310.A O no hydrogen 3.426 N/A ARG 18.A NH2 ASP 310.A OD2 no hydrogen 3.218 N/A ILE 21.A N SER 128.A OG no hydrogen 3.356 N/A ILE 23.A N ILE 14.A O no hydrogen 2.756 N/A SER 25.A N ILE 12.A O no hydrogen 2.908 N/A LEU 26.A N ALA 42.A O no hydrogen 2.914 N/A ALA 27.A N SER 10.A O no hydrogen 2.738 N/A VAL 28.A N GLY 40.A O no hydrogen 2.817 N/A GLU 29.A N LYS 8.A O no hydrogen 2.836 N/A LEU 30.A N GLY 38.A O no hydrogen 2.871 N/A THR 31.A N ASP 6.A O no hydrogen 2.910 N/A LEU 32.A N VAL 36.A O no hydrogen 2.954 N/A ASP 33.A N LYS 3.A O no hydrogen 2.921 N/A ASN 34.A ND2 GLU 105.A OE1 no hydrogen 3.472 N/A ASN 34.A ND2 GLU 105.A OE2 no hydrogen 2.921 N/A GLY 35.A N LEU 32.A O no hydrogen 3.045 N/A VAL 36.A N ASN 34.A OD1 no hydrogen 3.061 N/A LYS 37.A NZ GLU 29.A OE1 no hydrogen 3.538 N/A LYS 37.A NZ TYR 346.A OH no hydrogen 2.640 N/A GLY 38.A N LEU 30.A O no hydrogen 2.908 N/A TYR 39.A N ASP 100.A OD2 no hydrogen 2.783 N/A TYR 39.A OH GLU 29.A OE1 no hydrogen 3.079 N/A GLY 40.A N VAL 28.A O no hydrogen 3.061 N/A ALA 42.A N LEU 26.A O no hydrogen 3.019 N/A ALA 44.A N ASP 24.A O no hydrogen 3.021 N/A THR 46.A OG1 ASP 51.A O no hydrogen 2.693 N/A ILE 48.A N THR 45.A O no hydrogen 3.122 N/A THR 49.A N THR 45.A O no hydrogen 2.970 N/A THR 49.A OG1 THR 45.A O no hydrogen 3.428 N/A THR 49.A OG1 ASP 51.A OD2 no hydrogen 2.603 N/A GLY 50.A N THR 46.A O no hydrogen 3.037 N/A ASP 51.A N THR 49.A OG1 no hydrogen 3.265 N/A GLN 54.A N GLN 54.A OE1 no hydrogen 2.654 N/A GLY 55.A N THR 52.A OG1 no hydrogen 2.989 N/A TYR 57.A N GLN 54.A O no hydrogen 3.135 N/A ILE 58.A N GLY 55.A O no hydrogen 2.873 N/A ARG 60.A N GLN 56.A O no hydrogen 2.998 N/A GLU 61.A N TYR 57.A O no hydrogen 2.748 N/A ILE 62.A N ILE 58.A O no hydrogen 2.922 N/A PHE 63.A N ILE 58.A O no hydrogen 2.870 N/A ALA 64.A N ILE 59.A O no hydrogen 2.922 N/A VAL 66.A N PHE 63.A O no hydrogen 2.976 N/A ILE 67.A N PHE 63.A O no hydrogen 3.006 N/A LEU 68.A N ALA 64.A O no hydrogen 2.795 N/A GLY 69.A N ILE 4.A O no hydrogen 2.776 N/A SER 70.A N ILE 67.A O no hydrogen 2.984 N/A SER 70.A OG ILE 67.A O no hydrogen 2.486 N/A LEU 72.A N SER 2.A O no hydrogen 2.855 N/A ASP 74.A N ASP 71.A O no hydrogen 3.029 N/A TYR 75.A N LEU 72.A O no hydrogen 3.033 N/A THR 78.A N ASP 74.A O no hydrogen 2.903 N/A THR 78.A OG1 ASP 74.A O no hydrogen 3.071 N/A LEU 79.A N TYR 75.A O no hydrogen 2.869 N/A GLU 80.A N LYS 76.A O no hydrogen 3.087 N/A LEU 81.A N GLN 77.A O no hydrogen 2.956 N/A ALA 82.A N THR 78.A O no hydrogen 2.868 N/A PHE 83.A N LEU 79.A O no hydrogen 2.796 N/A LYS 84.A N GLU 80.A O no hydrogen 3.182 N/A LYS 85.A N ALA 82.A O no hydrogen 3.135 N/A VAL 86.A N PHE 83.A O no hydrogen 3.135 N/A SER 89.A OG ALA 258.A O no hydrogen 2.587 N/A ALA 90.A N ASP 51.A OD2 no hydrogen 2.819 N/A ALA 91.A N ASP 51.A OD1 no hydrogen 3.117 N/A LYS 92.A N ASN 88.A O no hydrogen 3.389 N/A LYS 92.A NZ VAL 86.A O no hydrogen 2.756 N/A LYS 92.A NZ PHE 87.A O no hydrogen 3.107 N/A ILE 94.A N ALA 91.A O no hydrogen 3.421 N/A ASP 95.A N LYS 92.A O no hydrogen 2.901 N/A ALA 97.A N ALA 93.A O no hydrogen 3.161 N/A TYR 98.A N ILE 94.A O no hydrogen 3.049 N/A HIS 99.A N ASP 95.A O no hydrogen 3.057 N/A HIS 99.A ND1 ASP 95.A O no hydrogen 2.875 N/A ASP 100.A N LEU 96.A O no hydrogen 2.865 N/A LEU 101.A N ALA 97.A O no hydrogen 2.986 N/A LEU 102.A N TYR 98.A O no hydrogen 2.916 N/A ALA 103.A N HIS 99.A O no hydrogen 2.974 N/A LYS 104.A N ASP 100.A O no hydrogen 2.971 N/A LYS 104.A NZ LYS 37.A O no hydrogen 2.887 N/A LYS 104.A NZ ASP 100.A OD2 no hydrogen 2.905 N/A GLU 105.A N LEU 101.A O no hydrogen 2.893 N/A GLN 106.A N ALA 103.A O no hydrogen 2.885 N/A ASP 107.A N LYS 104.A O no hydrogen 3.007 N/A ILE 108.A N ALA 103.A O no hydrogen 3.106 N/A VAL 110.A N GLY 336.A O no hydrogen 3.050 N/A LYS 112.A N SER 109.A OG no hydrogen 3.003 N/A LEU 113.A N SER 109.A O no hydrogen 2.875 N/A LEU 114.A N VAL 110.A O no hydrogen 2.898 N/A GLY 115.A N LYS 112.A O no hydrogen 2.921 N/A ALA 116.A N ALA 111.A O no hydrogen 2.854 N/A ILE 121.A N ILE 328.A O no hydrogen 2.942 N/A THR 123.A N PRO 326.A O no hydrogen 3.057 N/A THR 123.A OG1 ASP 124.A O no hydrogen 2.867 N/A ASP 124.A N ALA 304.A O no hydrogen 3.269 N/A VAL 125.A N ALA 149.A O no hydrogen 3.049 N/A SER 126.A N ASP 307.A OD2 no hydrogen 2.838 N/A SER 126.A OG ASP 307.A OD1 no hydrogen 3.321 N/A SER 126.A OG ASP 307.A OD2 no hydrogen 2.453 N/A ILE 127.A N LYS 151.A O no hydrogen 2.777 N/A CYS 129.A N ILE 21.A O no hydrogen 3.307 N/A GLU 134.A N ASN 131.A OD1 no hydrogen 2.645 N/A THR 135.A N ASN 131.A O no hydrogen 2.901 N/A THR 135.A OG1 ASN 131.A O no hydrogen 2.872 N/A ILE 136.A N VAL 132.A O no hydrogen 2.867 N/A GLN 137.A N ALA 133.A O no hydrogen 3.177 N/A GLN 137.A NE2 ASN 141.A OD1 no hydrogen 2.945 N/A ASN 138.A N GLU 134.A O no hydrogen 3.176 N/A ILE 139.A N THR 135.A O no hydrogen 2.987 N/A GLN 140.A N ILE 136.A O no hydrogen 2.852 N/A ASN 141.A N GLN 137.A O no hydrogen 2.847 N/A GLY 142.A N ASN 138.A O no hydrogen 3.162 N/A VAL 143.A N ILE 139.A O no hydrogen 2.949 N/A GLU 144.A N GLN 140.A O no hydrogen 2.918 N/A ALA 145.A N GLY 142.A O no hydrogen 2.987 N/A ASN 146.A N VAL 143.A O no hydrogen 2.939 N/A ASN 146.A ND2 GLU 325.A O no hydrogen 2.663 N/A PHE 147.A N GLY 142.A O no hydrogen 3.143 N/A ILE 150.A N LYS 177.A O no hydrogen 2.825 N/A LYS 151.A N VAL 125.A O no hydrogen 2.737 N/A LYS 151.A NZ ASP 305.A OD2 no hydrogen 2.510 N/A VAL 152.A N ARG 179.A O no hydrogen 2.777 N/A LYS 153.A N ILE 127.A O no hydrogen 3.104 N/A LYS 153.A NZ ASP 181.A OD2 no hydrogen 2.836 N/A LYS 153.A NZ ASN 183.A OD1 no hydrogen 3.093 N/A THR 154.A N ASP 181.A O no hydrogen 2.985 N/A GLY 155.A N ASP 161.A OD2 no hydrogen 2.781 N/A ARG 160.A N ASP 157.A OD1 no hydrogen 3.125 N/A ARG 160.A NE GLY 130.A O no hydrogen 2.562 N/A ARG 160.A NH1 GLY 130.A O no hydrogen 3.231 N/A ARG 160.A NH1 THR 135.A OG1 no hydrogen 2.932 N/A ARG 160.A NH2 LYS 153.A O no hydrogen 3.049 N/A ARG 160.A NH2 ASP 161.A OD1 no hydrogen 2.789 N/A ASP 161.A N ASP 157.A O no hydrogen 2.986 N/A ILE 162.A N PHE 158.A O no hydrogen 2.952 N/A GLN 163.A N ASN 159.A O no hydrogen 2.831 N/A LEU 164.A N ARG 160.A O no hydrogen 2.824 N/A LEU 165.A N ILE 162.A O no hydrogen 3.341 N/A ALA 167.A N GLN 163.A O no hydrogen 3.397 N/A LEU 168.A N LEU 164.A O no hydrogen 2.718 N/A ASP 169.A N LEU 165.A O no hydrogen 2.857 N/A ASN 170.A N LYS 166.A O no hydrogen 3.252 N/A GLU 171.A N ALA 167.A O no hydrogen 3.218 N/A GLU 171.A N LEU 168.A O no hydrogen 3.233 N/A ASN 175.A N SER 173.A OG no hydrogen 3.334 N/A ILE 176.A N SER 173.A O no hydrogen 3.261 N/A LYS 177.A N THR 148.A O no hydrogen 2.820 N/A PHE 178.A N ASN 204.A O no hydrogen 2.830 N/A ARG 179.A N ILE 150.A O no hydrogen 2.777 N/A ARG 179.A NE GLU 206.A OE1 no hydrogen 2.883 N/A ARG 179.A NH1 ASP 124.A OD2 no hydrogen 2.915 N/A ARG 179.A NH1 ALA 304.A O no hydrogen 3.005 N/A ARG 179.A NH2 GLU 206.A OE1 no hydrogen 3.140 N/A PHE 180.A N ILE 207.A O no hydrogen 3.103 N/A ASP 181.A N VAL 152.A O no hydrogen 3.171 N/A ALA 182.A N GLU 209.A O no hydrogen 3.219 N/A ASN 183.A N ASP 181.A OD1 no hydrogen 3.039 N/A GLN 184.A N GLN 210.A O no hydrogen 2.835 N/A GLY 185.A N ALA 182.A O no hydrogen 2.888 N/A TRP 186.A N PRO 211.A O no hydrogen 3.027 N/A TRP 186.A NE1 ASP 161.A OD2 no hydrogen 3.101 N/A ASN 187.A N GLN 190.A OE1 no hydrogen 3.196 N/A GLN 190.A N ASN 187.A OD1 no hydrogen 2.725 N/A THR 191.A N ASN 187.A O no hydrogen 3.050 N/A THR 191.A OG1 ASN 187.A O no hydrogen 2.862 N/A LYS 192.A N LEU 188.A O no hydrogen 3.144 N/A LYS 192.A NZ GLU 221.A OE2 no hydrogen 2.879 N/A GLN 193.A N ALA 189.A O no hydrogen 2.981 N/A PHE 194.A N GLN 190.A O no hydrogen 2.887 N/A ILE 195.A N THR 191.A O no hydrogen 3.017 N/A GLU 196.A N LYS 192.A O no hydrogen 2.983 N/A GLU 197.A N GLN 193.A O no hydrogen 2.779 N/A ILE 198.A N PHE 194.A O no hydrogen 2.917 N/A ASN 199.A N ILE 195.A O no hydrogen 3.115 N/A LYS 200.A N GLU 197.A O no hydrogen 2.850 N/A LYS 200.A NZ GLU 197.A OE1 no hydrogen 3.316 N/A TYR 201.A N ILE 198.A O no hydrogen 2.879 N/A SER 202.A N ASP 169.A OD1 no hydrogen 3.056 N/A ASN 204.A ND2 LYS 174.A O no hydrogen 3.019 N/A GLU 206.A N PHE 178.A O no hydrogen 2.849 N/A ILE 208.A N PRO 229.A O no hydrogen 2.807 N/A GLU 209.A N PHE 180.A O no hydrogen 2.667 N/A GLN 210.A N VAL 231.A O no hydrogen 2.764 N/A GLN 210.A NE2 VAL 212.A O no hydrogen 2.998 N/A GLN 210.A NE2 SER 235.A OG no hydrogen 2.947 N/A TYR 214.A N GLN 184.A OE1 no hydrogen 2.915 N/A ASP 216.A N LYS 213.A O no hydrogen 2.955 N/A ALA 219.A N ASP 216.A OD1 no hydrogen 2.989 N/A GLU 221.A N LYS 218.A O no hydrogen 2.998 N/A ILE 222.A N ALA 219.A O no hydrogen 2.809 N/A LYS 224.A N ALA 220.A O no hydrogen 3.130 N/A PHE 225.A N GLU 221.A O no hydrogen 2.959 N/A SER 226.A N ILE 222.A O no hydrogen 2.851 N/A SER 226.A OG ILE 228.A O no hydrogen 2.836 N/A ILE 228.A N SER 226.A OG no hydrogen 2.993 N/A VAL 230.A N ASN 252.A OD1 no hydrogen 2.894 N/A VAL 231.A N ILE 208.A O no hydrogen 2.795 N/A ASP 233.A N GLN 210.A OE1 no hydrogen 2.817 N/A GLU 234.A N GLU 234.A OE1 no hydrogen 2.836 N/A SER 235.A N GLN 210.A OE1 no hydrogen 3.192 N/A SER 235.A OG TYR 214.A O no hydrogen 2.755 N/A VAL 236.A N ASP 233.A O no hydrogen 2.928 N/A PHE 237.A N ASP 241.A OD2 no hydrogen 2.850 N/A ASP 238.A N ASP 241.A OD2 no hydrogen 3.301 N/A ALA 239.A N GLU 265.A OE2 no hydrogen 2.874 N/A LYS 240.A NZ ASP 238.A OD1 no hydrogen 2.970 N/A LYS 240.A NZ ASP 238.A OD2 no hydrogen 2.819 N/A LYS 240.A NZ ASP 241.A OD1 no hydrogen 2.826 N/A ASP 241.A N ASP 238.A OD1 no hydrogen 2.867 N/A ALA 242.A N ASP 238.A O no hydrogen 2.990 N/A GLU 243.A N ALA 239.A O no hydrogen 2.887 N/A ARG 244.A N LYS 240.A O no hydrogen 3.157 N/A ARG 244.A NE GLU 248.A OE2 no hydrogen 3.077 N/A VAL 245.A N ASP 241.A O no hydrogen 3.084 N/A ILE 246.A N ALA 242.A O no hydrogen 2.916 N/A ASP 247.A N GLU 243.A O no hydrogen 2.874 N/A GLU 248.A N ARG 244.A O no hydrogen 2.927 N/A GLN 249.A N ILE 246.A O no hydrogen 3.097 N/A ALA 250.A N VAL 245.A O no hydrogen 2.822 N/A ASN 252.A N VAL 230.A O no hydrogen 2.891 N/A ASN 254.A N ALA 232.A O no hydrogen 2.856 N/A ASN 254.A ND2 GLU 209.A OE2 no hydrogen 2.682 N/A LYS 256.A NZ ASP 233.A OD2 no hydrogen 3.101 N/A LYS 256.A NZ CYS 283.A O no hydrogen 3.260 N/A LYS 259.A N LYS 256.A O no hydrogen 3.024 N/A LYS 259.A NZ ASP 233.A O no hydrogen 2.682 N/A LYS 259.A NZ ASP 233.A OD1 no hydrogen 2.625 N/A LYS 259.A NZ VAL 236.A O no hydrogen 2.940 N/A LYS 259.A NZ ASN 254.A O no hydrogen 2.799 N/A THR 260.A N LYS 256.A O no hydrogen 2.961 N/A THR 260.A OG1 LYS 256.A O no hydrogen 3.508 N/A THR 260.A OG1 LEU 257.A O no hydrogen 3.278 N/A THR 260.A OG1 GLY 262.A O no hydrogen 2.718 N/A GLY 261.A N LEU 257.A O no hydrogen 2.994 N/A GLY 262.A N LEU 257.A O no hydrogen 3.050 N/A GLY 262.A N THR 260.A OG1 no hydrogen 3.166 N/A ILE 263.A N ASP 95.A OD1 no hydrogen 2.765 N/A LEU 264.A N ASP 95.A OD2 no hydrogen 2.993 N/A ALA 266.A N GLY 262.A O no hydrogen 3.221 N/A GLN 267.A N ILE 263.A O no hydrogen 2.925 N/A LYS 268.A N LEU 264.A O no hydrogen 3.355 N/A ILE 269.A N GLU 265.A O no hydrogen 3.137 N/A LYS 270.A N ALA 266.A O no hydrogen 3.086 N/A LYS 270.A NZ ASP 274.A OD1 no hydrogen 2.791 N/A LYS 270.A NZ ASP 274.A OD2 no hydrogen 3.007 N/A LYS 270.A NZ GLU 299.A O no hydrogen 3.287 N/A LYS 271.A N GLN 267.A O no hydrogen 3.088 N/A LEU 272.A N LYS 268.A O no hydrogen 3.109 N/A ALA 273.A N ILE 269.A O no hydrogen 2.835 N/A ASP 274.A N LYS 270.A O no hydrogen 2.833 N/A SER 275.A N LYS 271.A O no hydrogen 3.151 N/A SER 275.A OG LYS 271.A O no hydrogen 3.197 N/A ALA 276.A N LEU 272.A O no hydrogen 3.132 N/A ALA 276.A N ALA 273.A O no hydrogen 3.098 N/A GLY 277.A N ASP 274.A O no hydrogen 3.151 N/A ILE 278.A N ALA 273.A O no hydrogen 2.867 N/A SER 279.A N ASN 252.A O no hydrogen 3.270 N/A SER 279.A OG ASN 252.A O no hydrogen 3.215 N/A VAL 281.A N VAL 303.A O no hydrogen 3.039 N/A GLY 282.A N ILE 255.A O no hydrogen 3.065 N/A CYS 283.A SG ASP 305.A O no hydrogen 3.530 N/A ALA 287.A N SER 285.A OG no hydrogen 3.183 N/A ILE 289.A N SER 285.A O no hydrogen 3.232 N/A LEU 290.A N PRO 286.A O no hydrogen 2.798 N/A ALA 291.A N ALA 287.A O no hydrogen 3.027 N/A THR 292.A N GLY 288.A O no hydrogen 2.887 N/A THR 292.A OG1 GLY 288.A O no hydrogen 2.893 N/A ALA 293.A N ILE 289.A O no hydrogen 2.767 N/A SER 294.A N LEU 290.A O no hydrogen 2.922 N/A SER 294.A OG LEU 290.A O no hydrogen 2.804 N/A PHE 295.A N ALA 291.A O no hydrogen 3.052 N/A ALA 296.A N THR 292.A O no hydrogen 2.909 N/A LEU 297.A N ALA 293.A O no hydrogen 2.947 N/A ALA 298.A N SER 294.A O no hydrogen 3.180 N/A GLU 299.A N PHE 295.A O no hydrogen 2.985 N/A GLU 299.A N ALA 296.A O no hydrogen 3.012 N/A ILE 301.A N ALA 296.A O no hydrogen 3.017 N/A ASP 305.A N VAL 281.A O no hydrogen 2.864 N/A LEU 306.A N THR 123.A OG1 no hydrogen 2.707 N/A ASP 310.A N ASP 307.A O no hydrogen 2.579 N/A TRP 311.A N PRO 308.A O no hydrogen 2.854 N/A TRP 311.A NE1 ASP 307.A OD2 no hydrogen 3.067 N/A LEU 316.A N ALA 313.A O no hydrogen 3.115 N/A TYR 317.A N LYS 314.A O no hydrogen 3.140 N/A TYR 320.A N TYR 317.A O no hydrogen 2.970 N/A ILE 321.A N TYR 317.A O no hydrogen 2.966 N/A THR 322.A N ILE 329.A O no hydrogen 2.846 N/A ASN 324.A N ASN 327.A O no hydrogen 2.934 N/A GLU 325.A N GLU 325.A OE1 no hydrogen 2.591 N/A ASN 327.A N ASN 324.A O no hydrogen 2.665 N/A ASN 327.A ND2 ASN 324.A O no hydrogen 3.522 N/A ILE 328.A N ILE 121.A O no hydrogen 2.839 N/A ILE 329.A N THR 322.A O no hydrogen 2.881 N/A LEU 330.A N ASN 119.A O no hydrogen 2.867 N/A LYS 331.A N TYR 320.A O no hydrogen 3.022 N/A LYS 331.A NZ SER 318.A O no hydrogen 2.835 N/A LYS 335.A NZ ASP 107.A O no hydrogen 3.050 N/A GLY 336.A N ILE 108.A O no hydrogen 2.925 N/A PHE 337.A N ASP 100.A OD1 no hydrogen 2.777 N/A ALA 342.A N ASN 340.A OD1 no hydrogen 3.285 N/A LEU 345.A N LEU 341.A O no hydrogen 2.841 N/A TYR 346.A N ALA 342.A O no hydrogen 2.887 N/A TYR 346.A OH GLU 29.A OE1 no hydrogen 2.721 N/A PHE 347.A N ALA 342.A O no hydrogen 2.772 N/A