Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2d2i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N ASP 28.A O no hydrogen 2.865 N/A ARG 4.A N ASP 93.A OD1 no hydrogen 2.918 N/A ARG 4.A NE TRP 90.A O no hydrogen 2.929 N/A ARG 4.A NE ASP 91.A O no hydrogen 2.959 N/A ARG 4.A NH2 TRP 90.A O no hydrogen 2.756 N/A VAL 5.A N GLU 30.A O no hydrogen 2.801 N/A ALA 6.A N LEU 94.A O no hydrogen 3.042 N/A ILE 7.A N ALA 33.A O no hydrogen 2.885 N/A ASN 8.A N ILE 96.A O no hydrogen 2.748 N/A ASN 8.A ND2 GLU 97.A OE2 no hydrogen 2.675 N/A GLY 9.A N ASN 35.A O no hydrogen 2.831 N/A ARG 12.A NE GLU 319.A OE2 no hydrogen 2.790 N/A ARG 12.A NH1 ASP 50.A OD1 no hydrogen 2.651 N/A ARG 12.A NH2 ASP 50.A OD1 no hydrogen 3.253 N/A ARG 12.A NH2 ASP 50.A OD2 no hydrogen 3.222 N/A ARG 12.A NH2 GLU 319.A OE1 no hydrogen 2.820 N/A ARG 12.A NH2 GLU 319.A OE2 no hydrogen 3.438 N/A ARG 15.A N GLY 11.A O no hydrogen 2.763 N/A ARG 15.A NE LEU 46.A O no hydrogen 3.105 N/A ARG 15.A NH1 PHE 10.A O no hydrogen 2.953 N/A ASN 16.A N ARG 12.A O no hydrogen 2.956 N/A ASN 16.A ND2 ARG 12.A O no hydrogen 2.840 N/A PHE 17.A N ILE 13.A O no hydrogen 2.646 N/A LEU 18.A N GLY 14.A O no hydrogen 3.155 N/A ARG 19.A N ARG 15.A O no hydrogen 3.061 N/A ARG 19.A NH1 GLY 54.A O no hydrogen 3.129 N/A ARG 19.A NH2 GLY 54.A O no hydrogen 2.934 N/A CYS 20.A N ASN 16.A O no hydrogen 2.909 N/A CYS 20.A SG ASN 16.A O no hydrogen 3.501 N/A CYS 20.A SG TRP 320.A O no hydrogen 3.800 N/A TRP 21.A N PHE 17.A O no hydrogen 2.836 N/A TRP 21.A NE1 THR 27.A OG1 no hydrogen 2.968 N/A PHE 22.A N LEU 18.A O no hydrogen 2.913 N/A GLY 23.A N ARG 19.A O no hydrogen 3.046 N/A GLY 23.A N CYS 20.A O no hydrogen 2.898 N/A ARG 24.A N TRP 21.A O no hydrogen 3.073 N/A ARG 24.A NH2 GLN 324.A O no hydrogen 3.101 N/A THR 27.A OG1 GLU 331.A OE1 no hydrogen 2.395 N/A ASP 28.A N GLU 331.A OE2 no hydrogen 3.072 N/A LEU 29.A N THR 27.A OG1 no hydrogen 3.012 N/A GLU 30.A N ILE 3.A O no hydrogen 3.132 N/A VAL 32.A N VAL 5.A O no hydrogen 2.691 N/A ILE 34.A N LYS 75.A O no hydrogen 2.768 N/A ASN 35.A N ILE 7.A O no hydrogen 2.790 N/A ASN 35.A ND2 ASN 8.A OD1 no hydrogen 2.533 N/A ASN 35.A ND2 ASP 79.A O no hydrogen 3.158 N/A ASN 36.A N VAL 77.A O no hydrogen 3.051 N/A THR 42.A N ASP 39.A OD1 no hydrogen 2.759 N/A THR 42.A OG1 ASP 39.A OD1 no hydrogen 2.741 N/A ALA 43.A N ASP 39.A O no hydrogen 3.180 N/A ALA 44.A N ALA 40.A O no hydrogen 2.993 N/A HIS 45.A N ARG 41.A O no hydrogen 3.097 N/A LEU 46.A N THR 42.A O no hydrogen 2.994 N/A LEU 47.A N ALA 43.A O no hydrogen 2.988 N/A GLU 48.A N ALA 44.A O no hydrogen 3.070 N/A TYR 49.A N HIS 45.A O no hydrogen 3.039 N/A VAL 52.A N ASP 50.A OD2 no hydrogen 2.697 N/A LEU 53.A N ASP 50.A OD2 no hydrogen 2.726 N/A GLY 54.A N ASP 50.A O no hydrogen 2.854 N/A ARG 55.A NE GLU 48.A OE2 no hydrogen 2.935 N/A ARG 55.A NH2 GLU 48.A OE2 no hydrogen 3.021 N/A PHE 56.A N GLU 48.A O no hydrogen 2.821 N/A SER 61.A N THR 68.A O no hydrogen 2.917 N/A ASP 63.A N SER 66.A O no hydrogen 3.150 N/A ASN 65.A N ASP 63.A OD2 no hydrogen 2.823 N/A SER 66.A N ASP 63.A O no hydrogen 3.524 N/A SER 66.A OG ASP 63.A OD1 no hydrogen 3.500 N/A SER 66.A OG ASP 63.A OD2 no hydrogen 3.254 N/A ILE 67.A N MET 74.A O no hydrogen 2.923 N/A THR 68.A N SER 61.A O no hydrogen 2.870 N/A THR 68.A OG1 THR 73.A OG1 no hydrogen 2.846 N/A VAL 69.A N LYS 72.A O no hydrogen 2.923 N/A ASN 70.A N ASP 59.A O no hydrogen 2.664 N/A LYS 72.A N VAL 69.A O no hydrogen 3.096 N/A THR 73.A OG1 THR 68.A OG1 no hydrogen 2.846 N/A MET 74.A N ILE 67.A O no hydrogen 2.780 N/A LYS 75.A N VAL 32.A O no hydrogen 3.088 N/A ILE 76.A N ASN 65.A O no hydrogen 2.883 N/A VAL 77.A N ILE 34.A O no hydrogen 3.028 N/A CYS 78.A SG CYS 78.A O no hydrogen 2.642 N/A ASP 79.A N ASN 35.A OD1 no hydrogen 2.948 N/A LEU 83.A N ASN 81.A OD1 no hydrogen 3.221 N/A ASN 84.A N ASN 81.A O no hydrogen 2.949 N/A LEU 85.A N PRO 82.A O no hydrogen 2.838 N/A TRP 87.A NE1 HIS 111.A ND1 no hydrogen 2.684 N/A LYS 88.A N ALA 114.A O no hydrogen 2.888 N/A GLU 89.A N GLU 89.A OE1 no hydrogen 2.475 N/A TRP 90.A N PRO 86.A O no hydrogen 2.939 N/A ASP 91.A N LYS 88.A O no hydrogen 3.097 N/A ILE 92.A N TRP 87.A O no hydrogen 2.997 N/A ASP 93.A N ARG 4.A O no hydrogen 2.984 N/A LEU 94.A N ARG 4.A O no hydrogen 2.899 N/A VAL 95.A N LYS 118.A O no hydrogen 2.947 N/A ILE 96.A N ALA 6.A O no hydrogen 2.850 N/A GLU 97.A N LEU 120.A O no hydrogen 2.873 N/A SER 98.A N ASN 8.A O no hydrogen 2.770 N/A SER 98.A OG ASN 8.A O no hydrogen 3.158 N/A SER 98.A OG GLY 9.A O no hydrogen 2.601 N/A THR 99.A N GLU 97.A OE1 no hydrogen 3.104 N/A THR 99.A OG1 GLU 97.A OE1 no hydrogen 2.870 N/A VAL 101.A N THR 99.A OG1 no hydrogen 2.962 N/A GLY 107.A N THR 104.A OG1 no hydrogen 2.992 N/A ALA 108.A N THR 104.A O no hydrogen 2.851 N/A SER 109.A N ALA 105.A O no hydrogen 2.991 N/A SER 109.A OG ALA 105.A O no hydrogen 2.773 N/A LYS 110.A N GLY 107.A O no hydrogen 3.044 N/A HIS 111.A N ALA 108.A O no hydrogen 3.288 N/A HIS 111.A NE2 GLU 97.A OE2 no hydrogen 2.968 N/A ILE 112.A N SER 109.A O no hydrogen 2.632 N/A GLN 113.A N SER 109.A O no hydrogen 2.980 N/A ALA 114.A N LYS 110.A O no hydrogen 3.047 N/A GLY 115.A N ILE 112.A O no hydrogen 2.666 N/A ALA 116.A N HIS 111.A O no hydrogen 2.837 N/A LYS 117.A N ASP 93.A O no hydrogen 3.023 N/A LYS 118.A N ASP 93.A O no hydrogen 2.852 N/A LYS 118.A NZ TYR 142.A OH no hydrogen 3.015 N/A LYS 118.A NZ HIS 144.A O no hydrogen 2.823 N/A LYS 118.A NZ PHE 147.A O no hydrogen 2.367 N/A VAL 119.A N ALA 148.A O no hydrogen 2.744 N/A LEU 120.A N VAL 95.A O no hydrogen 2.848 N/A ILE 121.A N ILE 150.A O no hydrogen 2.822 N/A THR 122.A N GLU 97.A O no hydrogen 2.901 N/A THR 122.A OG1 GLU 97.A O no hydrogen 3.213 N/A LYS 126.A N VAL 103.A O no hydrogen 2.805 N/A GLY 131.A N VAL 149.A O no hydrogen 3.083 N/A TYR 133.A N SER 151.A O no hydrogen 2.964 N/A VAL 134.A N ASN 138.A OD1 no hydrogen 2.821 N/A GLY 136.A N ASP 139.A OD1 no hydrogen 3.223 N/A GLY 136.A N ASP 139.A OD2 no hydrogen 2.957 N/A VAL 137.A N VAL 134.A O no hydrogen 2.828 N/A ASN 138.A N VAL 134.A O no hydrogen 3.304 N/A ASN 138.A ND2 THR 132.A O no hydrogen 3.004 N/A ASP 139.A N ASP 139.A OD2 no hydrogen 2.535 N/A GLU 141.A N ASN 138.A O no hydrogen 3.084 N/A TYR 142.A N ASP 139.A O no hydrogen 3.233 N/A ASP 146.A N ARG 143.A O no hydrogen 3.256 N/A ILE 150.A N VAL 119.A O no hydrogen 2.904 N/A SER 151.A N GLY 131.A O no hydrogen 2.710 N/A SER 151.A OG ALA 123.A O no hydrogen 2.399 N/A ASN 152.A N ILE 121.A O no hydrogen 3.262 N/A ALA 153.A N SER 151.A OG no hydrogen 3.072 N/A SER 154.A OG THR 157.A OG1 no hydrogen 3.394 N/A CYS 155.A SG HIS 182.A NE2 no hydrogen 3.496 N/A THR 156.A OG1 TYR 316.A OH no hydrogen 2.662 N/A THR 157.A N SER 154.A OG no hydrogen 3.273 N/A THR 157.A OG1 SER 154.A OG no hydrogen 3.394 N/A THR 157.A OG1 ALA 215.A O no hydrogen 3.113 N/A ASN 158.A N SER 154.A O no hydrogen 3.049 N/A CYS 159.A N CYS 155.A O no hydrogen 3.145 N/A CYS 159.A SG SER 295.A OG no hydrogen 3.736 N/A CYS 159.A SG ALA 314.A O no hydrogen 3.745 N/A CYS 159.A SG TRP 315.A O no hydrogen 4.035 N/A LEU 160.A N THR 156.A O no hydrogen 2.852 N/A ALA 161.A N THR 157.A O no hydrogen 2.840 N/A ALA 164.A N LEU 160.A O no hydrogen 2.951 N/A LYS 165.A N ALA 161.A O no hydrogen 2.764 N/A LYS 165.A NZ ASP 169.A OD2 no hydrogen 2.953 N/A VAL 166.A N PRO 162.A O no hydrogen 3.084 N/A LEU 167.A N VAL 163.A O no hydrogen 2.863 N/A HIS 168.A N ALA 164.A O no hydrogen 2.719 N/A HIS 168.A NE2 GLU 225.A OE1 no hydrogen 3.182 N/A ASP 169.A N LYS 165.A O no hydrogen 2.832 N/A ASN 170.A N VAL 166.A O no hydrogen 3.218 N/A ASN 170.A ND2 VAL 166.A O no hydrogen 2.715 N/A PHE 171.A N LEU 167.A O no hydrogen 3.115 N/A GLY 172.A N HIS 168.A O no hydrogen 2.817 N/A ILE 173.A N HIS 168.A ND1 no hydrogen 2.709 N/A ILE 174.A N GLN 250.A O no hydrogen 2.886 N/A LYS 175.A NZ GLN 250.A OE1 no hydrogen 2.698 N/A GLY 176.A N LYS 229.A O no hydrogen 2.687 N/A THR 177.A N VAL 248.A O no hydrogen 2.687 N/A THR 177.A OG1 ASN 231.A O no hydrogen 3.542 N/A MET 178.A N ASN 231.A O no hydrogen 2.770 N/A THR 179.A N ASP 246.A O no hydrogen 3.037 N/A THR 180.A N ILE 233.A O no hydrogen 3.056 N/A THR 180.A OG1 TYR 316.A OH no hydrogen 2.830 N/A THR 181.A N VAL 244.A O no hydrogen 3.026 N/A HIS 182.A N LEU 235.A O no hydrogen 2.823 N/A HIS 182.A ND1 SER 183.A O no hydrogen 2.640 N/A SER 183.A N SER 243.A OG no hydrogen 3.222 N/A SER 183.A OG THR 239.A O no hydrogen 3.268 N/A SER 183.A OG THR 239.A OG1 no hydrogen 2.775 N/A SER 183.A OG VAL 242.A O no hydrogen 2.663 N/A TYR 184.A N THR 239.A O no hydrogen 3.174 N/A THR 185.A N GLN 188.A OE1 no hydrogen 3.361 N/A ASP 187.A N THR 185.A OG1 no hydrogen 3.286 N/A GLN 188.A N THR 185.A O no hydrogen 2.880 N/A ARG 189.A N ARG 200.A O no hydrogen 3.341 N/A ARG 189.A NE SER 194.A O no hydrogen 3.055 N/A ARG 189.A NH2 SER 194.A O no hydrogen 3.103 N/A ALA 193.A N ALA 201.A O no hydrogen 2.868 N/A HIS 195.A NE2 ASP 187.A O no hydrogen 2.780 N/A HIS 195.A NE2 ASP 187.A OD2 no hydrogen 3.081 N/A ASP 197.A N HIS 195.A ND1 no hydrogen 2.961 N/A ARG 199.A N ASP 197.A OD2 no hydrogen 2.731 N/A ARG 200.A N ASP 197.A OD2 no hydrogen 3.379 N/A ARG 200.A NE THR 211.A OG1 no hydrogen 3.045 N/A ARG 200.A NH1 ASP 187.A OD2 no hydrogen 2.708 N/A ALA 201.A N ASP 197.A O no hydrogen 3.135 N/A ARG 202.A N ARG 199.A O no hydrogen 3.126 N/A ARG 202.A NE ASP 192.A OD1 no hydrogen 3.283 N/A ARG 202.A NE ASP 192.A OD2 no hydrogen 3.381 N/A ALA 203.A N ASP 192.A OD1 no hydrogen 2.958 N/A ALA 204.A N ARG 189.A O no hydrogen 2.817 N/A VAL 206.A N ALA 203.A O no hydrogen 3.418 N/A ASN 207.A ND2 ALA 203.A O no hydrogen 2.883 N/A VAL 209.A N ARG 236.A O no hydrogen 2.701 N/A THR 211.A N ALA 234.A O no hydrogen 3.042 N/A THR 211.A OG1 ASP 197.A OD1 no hydrogen 3.030 N/A ALA 215.A N THR 213.A OG1 no hydrogen 3.296 N/A ALA 218.A N GLY 214.A O no hydrogen 2.785 N/A ALA 220.A N LYS 217.A O no hydrogen 3.049 N/A LEU 221.A N ALA 218.A O no hydrogen 2.802 N/A VAL 222.A N VAL 219.A O no hydrogen 2.963 N/A ILE 223.A N VAL 219.A O no hydrogen 2.580 N/A LEU 226.A N ILE 223.A O no hydrogen 2.859 N/A LYS 227.A N PRO 224.A O no hydrogen 3.145 N/A LYS 229.A N LEU 226.A O no hydrogen 3.043 N/A LYS 229.A NZ ILE 173.A O no hydrogen 2.795 N/A ILE 233.A N MET 178.A O no hydrogen 2.942 N/A ALA 234.A N THR 211.A O no hydrogen 3.025 N/A LEU 235.A N THR 180.A O no hydrogen 2.770 N/A ARG 236.A N VAL 209.A O no hydrogen 2.702 N/A ARG 236.A NH1 THR 185.A OG1 no hydrogen 3.288 N/A VAL 237.A N HIS 182.A O no hydrogen 2.868 N/A THR 239.A N VAL 237.A O no hydrogen 2.720 N/A THR 239.A OG1 SER 183.A OG no hydrogen 2.775 N/A SER 243.A N TYR 316.A O no hydrogen 2.785 N/A SER 243.A OG ASN 318.A OD1 no hydrogen 2.844 N/A VAL 244.A N THR 181.A O no hydrogen 3.057 N/A VAL 245.A N ALA 314.A O no hydrogen 2.580 N/A ASP 246.A N THR 179.A O no hydrogen 2.913 N/A LEU 247.A N VAL 312.A O no hydrogen 3.025 N/A VAL 248.A N THR 177.A O no hydrogen 2.805 N/A VAL 249.A N VAL 310.A O no hydrogen 2.899 N/A GLN 250.A N LYS 175.A O no hydrogen 2.877 N/A VAL 251.A N ASP 308.A O no hydrogen 2.592 N/A GLU 252.A N PHE 171.A O no hydrogen 3.083 N/A GLU 252.A N GLY 172.A O no hydrogen 2.818 N/A LYS 253.A N PHE 171.A O no hydrogen 2.957 N/A THR 255.A N GLY 307.A O no hydrogen 2.625 N/A THR 255.A OG1 GLN 259.A OE1 no hydrogen 2.742 N/A GLN 259.A N ILE 256.A O no hydrogen 2.608 N/A VAL 260.A N ILE 256.A O no hydrogen 3.205 N/A ASN 261.A N THR 257.A O no hydrogen 3.140 N/A ASN 261.A ND2 THR 302.A OG1 no hydrogen 2.451 N/A GLU 262.A N GLU 258.A O no hydrogen 2.906 N/A VAL 263.A N GLN 259.A O no hydrogen 2.896 N/A LEU 264.A N VAL 260.A O no hydrogen 3.035 N/A GLN 265.A N ASN 261.A O no hydrogen 2.798 N/A LYS 266.A N GLU 262.A O no hydrogen 2.839 N/A ALA 267.A N VAL 263.A O no hydrogen 2.866 N/A SER 268.A N LEU 264.A O no hydrogen 2.937 N/A SER 268.A OG GLN 265.A O no hydrogen 2.741 N/A GLN 269.A N GLN 265.A O no hydrogen 3.223 N/A GLN 269.A N LYS 266.A O no hydrogen 3.131 N/A THR 270.A N ALA 267.A O no hydrogen 3.358 N/A THR 270.A OG1 LYS 266.A O no hydrogen 3.014 N/A THR 271.A N THR 270.A OG1 no hydrogen 2.447 N/A MET 272.A N ALA 267.A O no hydrogen 2.586 N/A LYS 273.A N THR 270.A O no hydrogen 3.084 N/A ILE 275.A N MET 272.A O no hydrogen 2.683 N/A ILE 276.A N MET 272.A O no hydrogen 2.970 N/A LYS 277.A N SER 295.A O no hydrogen 2.765 N/A SER 279.A N VAL 297.A O no hydrogen 2.829 N/A LEU 283.A N LEU 281.A O no hydrogen 2.839 N/A VAL 284.A N ASP 287.A OD2 no hydrogen 2.924 N/A ASP 287.A N VAL 284.A O no hydrogen 2.780 N/A PHE 288.A N SER 285.A O no hydrogen 3.201 N/A ARG 289.A N SER 286.A O no hydrogen 3.517 N/A ARG 289.A NE SER 286.A O no hydrogen 2.942 N/A GLY 290.A N ASP 317.A OD2 no hydrogen 2.759 N/A THR 291.A N PHE 288.A O no hydrogen 3.103 N/A THR 291.A OG1 PHE 288.A O no hydrogen 3.188 N/A GLU 293.A N GLU 293.A OE2 no hydrogen 2.776 N/A SER 295.A N ILE 275.A O no hydrogen 2.947 N/A SER 295.A OG CYS 159.A O no hydrogen 2.458 N/A ILE 296.A N TRP 315.A O no hydrogen 2.796 N/A VAL 297.A N LYS 277.A O no hydrogen 2.859 N/A ASP 298.A N ILE 313.A O no hydrogen 2.856 N/A SER 299.A N SER 279.A O no hydrogen 2.972 N/A SER 299.A OG SER 279.A O no hydrogen 3.391 N/A LEU 301.A N ASP 298.A O no hydrogen 3.135 N/A THR 302.A N SER 299.A O no hydrogen 2.819 N/A THR 302.A OG1 SER 299.A O no hydrogen 3.151 N/A LEU 303.A N LYS 311.A O no hydrogen 2.886 N/A MET 305.A N LEU 309.A O no hydrogen 2.757 N/A LEU 309.A N MET 305.A O no hydrogen 3.278 N/A VAL 310.A N VAL 249.A O no hydrogen 2.938 N/A LYS 311.A N LEU 303.A O no hydrogen 2.738 N/A LYS 311.A NZ ASP 246.A OD2 no hydrogen 3.526 N/A VAL 312.A N LEU 247.A O no hydrogen 2.955 N/A ALA 314.A N VAL 245.A O no hydrogen 2.890 N/A TRP 315.A N ILE 296.A O no hydrogen 2.669 N/A TRP 315.A NE1 ASP 298.A OD1 no hydrogen 2.868 N/A TYR 316.A N SER 243.A O no hydrogen 3.040 N/A TYR 316.A OH THR 156.A OG1 no hydrogen 2.662 N/A TYR 316.A OH THR 180.A OG1 no hydrogen 2.830 N/A GLU 319.A N ASP 317.A OD1 no hydrogen 3.090 N/A TRP 320.A N ASP 317.A OD1 no hydrogen 2.829 N/A TRP 320.A NE1 ASP 292.A OD1 no hydrogen 2.652 N/A GLY 321.A N ASP 317.A O no hydrogen 2.919 N/A TYR 322.A OH ALA 153.A O no hydrogen 2.470 N/A SER 323.A N GLU 319.A O no hydrogen 3.004 N/A SER 323.A OG GLU 319.A O no hydrogen 2.869 N/A GLN 324.A N TRP 320.A O no hydrogen 2.893 N/A ARG 325.A N GLY 321.A O no hydrogen 3.210 N/A ARG 325.A N TYR 322.A O no hydrogen 2.818 N/A ARG 325.A NE ASP 328.A OD2 no hydrogen 2.751 N/A ARG 325.A NH1 ASP 292.A O no hydrogen 2.798 N/A ARG 325.A NH1 SER 294.A OG no hydrogen 2.804 N/A ARG 325.A NH2 ASP 292.A O no hydrogen 3.272 N/A ARG 325.A NH2 ASP 328.A OD2 no hydrogen 3.121 N/A VAL 326.A N TYR 322.A O no hydrogen 2.929 N/A VAL 327.A N SER 323.A O no hydrogen 2.910 N/A ASP 328.A N GLN 324.A O no hydrogen 2.956 N/A LEU 329.A N ARG 325.A O no hydrogen 2.762 N/A ALA 330.A N VAL 326.A O no hydrogen 2.978 N/A GLU 331.A N VAL 327.A O no hydrogen 2.799 N/A LEU 332.A N ASP 328.A O no hydrogen 2.832 N/A ALA 333.A N LEU 329.A O no hydrogen 2.993 N/A ALA 334.A N ALA 330.A O no hydrogen 2.755 N/A ARG 335.A N GLU 331.A O no hydrogen 2.961 N/A LYS 336.A N ALA 334.A O no hydrogen 2.458 N/A LYS 336.A NZ ARG 335.A O no hydrogen 3.261 N/A GLY 338.A N SER 337.A OG no hydrogen 2.638 N/A