Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qfw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 5.A N LEU 61.A O no hydrogen 2.825 N/A VAL 6.A N GLU 93.A O no hydrogen 3.172 N/A ALA 7.A N ILE 59.A O no hydrogen 2.945 N/A THR 8.A N ASP 91.A O no hydrogen 2.838 N/A TYR 9.A N VAL 57.A O no hydrogen 2.807 N/A TYR 9.A OH LEU 77.A O no hydrogen 2.619 N/A HIS 10.A N ALA 88.A O no hydrogen 2.833 N/A ILE 11.A N TYR 55.A O no hydrogen 2.832 N/A ALA 12.A N ASP 86.A O no hydrogen 2.845 N/A SER 13.A N GLY 53.A O no hydrogen 3.022 N/A SER 13.A OG ASP 14.A O no hydrogen 3.046 N/A ILE 18.A N ASP 14.A O no hydrogen 3.006 N/A ARG 21.A N ARG 17.A O no hydrogen 2.756 N/A ARG 21.A NE ASP 86.A OD2 no hydrogen 2.855 N/A ARG 21.A NH1 ARG 21.A O no hydrogen 3.105 N/A ARG 21.A NH2 ASP 86.A OD1 no hydrogen 3.005 N/A ALA 22.A N ILE 18.A O no hydrogen 2.794 N/A LEU 23.A N GLU 19.A O no hydrogen 3.132 N/A ALA 24.A N GLN 20.A O no hydrogen 2.945 N/A LEU 25.A N ARG 21.A O no hydrogen 2.917 N/A ALA 26.A N ALA 22.A O no hydrogen 2.960 N/A ILE 27.A N LEU 23.A O no hydrogen 3.060 N/A GLU 28.A N ALA 24.A O no hydrogen 2.799 N/A GLN 29.A N LEU 25.A O no hydrogen 3.068 N/A GLN 29.A NE2 ASN 75.A O no hydrogen 3.555 N/A GLN 29.A NE2 MET 76.A O no hydrogen 2.858 N/A SER 30.A N ILE 27.A O no hydrogen 2.803 N/A SER 30.A OG ILE 40.A O no hydrogen 2.530 N/A GLU 32.A N ILE 27.A O no hydrogen 2.928 N/A CYS 33.A SG VAL 31.A O no hydrogen 3.330 N/A ALA 37.A N PRO 34.A O no hydrogen 2.912 N/A ILE 38.A N LEU 35.A O no hydrogen 2.976 N/A ARG 43.A N GLY 60.A O no hydrogen 2.912 N/A GLU 45.A N ARG 58.A O no hydrogen 2.730 N/A ASP 46.A N ARG 58.A O no hydrogen 3.297 N/A ALA 48.A N ALA 56.A O no hydrogen 2.990 N/A LEU 50.A N ARG 54.A O no hydrogen 2.753 N/A GLN 51.A N ARG 54.A O no hydrogen 3.260 N/A ARG 54.A N GLN 51.A O no hydrogen 2.830 N/A TYR 55.A N ILE 11.A O no hydrogen 2.944 N/A ALA 56.A N ALA 48.A O no hydrogen 2.829 N/A VAL 57.A N TYR 9.A O no hydrogen 2.748 N/A ARG 58.A N ASP 46.A O no hydrogen 2.946 N/A ARG 58.A NH1 GLU 93.A OE2 no hydrogen 3.052 N/A ARG 58.A NH2 GLU 93.A OE1 no hydrogen 3.370 N/A ILE 59.A N ALA 7.A O no hydrogen 2.839 N/A GLY 60.A N ARG 43.A O no hydrogen 2.633 N/A LEU 61.A N ILE 5.A O no hydrogen 2.640 N/A THR 65.A N ALA 62.A O no hydrogen 3.097 N/A THR 65.A OG1 ALA 62.A O no hydrogen 2.776 N/A ALA 66.A N ALA 63.A O no hydrogen 3.024 N/A GLU 69.A N PRO 67.A O no hydrogen 2.776 N/A GLY 71.A N SER 227.A OG no hydrogen 2.790 N/A GLN 72.A N GLU 69.A OE1 no hydrogen 3.047 N/A GLN 72.A NE2 THR 65.A O no hydrogen 3.174 N/A LEU 73.A N GLU 69.A O no hydrogen 2.885 N/A LEU 74.A N PRO 70.A O no hydrogen 2.935 N/A ASN 75.A N GLY 71.A O no hydrogen 2.777 N/A ASN 75.A ND2 GLN 72.A OE1 no hydrogen 3.053 N/A MET 76.A N GLN 72.A O no hydrogen 2.920 N/A LEU 77.A N LEU 73.A O no hydrogen 2.904 N/A PHE 78.A N LEU 74.A O no hydrogen 2.894 N/A GLY 79.A N ASN 75.A O no hydrogen 2.742 N/A SER 81.A N GLN 29.A OE1 no hydrogen 2.908 N/A SER 81.A OG GLN 29.A OE1 no hydrogen 2.554 N/A SER 82.A N PHE 78.A O no hydrogen 3.017 N/A SER 82.A OG GLY 79.A O no hydrogen 2.942 N/A ILE 83.A N ASN 80.A O no hydrogen 2.929 N/A GLN 84.A N SER 81.A O no hydrogen 3.032 N/A ALA 88.A N HIS 10.A O no hydrogen 2.936 N/A LEU 89.A N LYS 249.A O no hydrogen 3.082 N/A VAL 92.A N ASP 91.A OD1 no hydrogen 2.862 N/A GLU 93.A N VAL 6.A O no hydrogen 2.906 N/A TYR 98.A N PRO 95.A O no hydrogen 2.858 N/A TYR 98.A OH ALA 66.A O no hydrogen 2.605 N/A THR 100.A N ALA 96.A O no hydrogen 3.127 N/A THR 100.A OG1 ALA 96.A O no hydrogen 3.403 N/A ALA 101.A N HIS 97.A O no hydrogen 3.142 N/A PHE 102.A N TYR 98.A O no hydrogen 3.061 N/A GLY 103.A N LEU 99.A O no hydrogen 2.970 N/A GLY 104.A N LEU 262.A O no hydrogen 3.076 N/A ARG 106.A NH1 PHE 102.A O no hydrogen 2.888 N/A ARG 106.A NH1 GLY 104.A O no hydrogen 2.763 N/A ARG 106.A NH2 PHE 102.A O no hydrogen 3.559 N/A VAL 107.A N ASP 266.A OD1 no hydrogen 2.810 N/A GLY 108.A N ASP 266.A OD1 no hydrogen 2.736 N/A LEU 109.A N ALA 298.A O no hydrogen 2.897 N/A GLY 111.A N VAL 107.A O no hydrogen 3.187 N/A ILE 112.A N GLY 108.A O no hydrogen 2.931 N/A ARG 113.A N LEU 109.A O no hydrogen 3.106 N/A ARG 113.A NH1 ALA 118.A O no hydrogen 2.903 N/A ARG 113.A NH1 ARG 121.A O no hydrogen 2.681 N/A ARG 113.A NH2 ARG 121.A O no hydrogen 3.254 N/A ARG 113.A NH2 GLN 321.A O no hydrogen 3.060 N/A ARG 113.A NH2 ASP 322.A OD1 no hydrogen 2.821 N/A THR 114.A N ALA 110.A O no hydrogen 3.117 N/A THR 114.A OG1 ALA 110.A O no hydrogen 3.172 N/A LEU 115.A N GLY 111.A O no hydrogen 2.961 N/A THR 116.A N ILE 112.A O no hydrogen 2.909 N/A THR 116.A N ARG 113.A O no hydrogen 3.274 N/A THR 116.A OG1 ILE 112.A O no hydrogen 3.228 N/A GLY 117.A N ARG 113.A O no hydrogen 2.819 N/A ALA 118.A N ARG 113.A O no hydrogen 3.149 N/A ARG 121.A NH1 ALA 122.A O no hydrogen 2.908 N/A ARG 121.A NH1 ASP 151.A OD2 no hydrogen 2.806 N/A ARG 121.A NH2 ASP 151.A OD1 no hydrogen 2.796 N/A LEU 123.A N VAL 323.A O no hydrogen 2.920 N/A THR 124.A N ASP 151.A OD2 no hydrogen 2.854 N/A ALA 125.A N LEU 325.A O no hydrogen 2.920 N/A SER 126.A N LEU 152.A O no hydrogen 3.031 N/A LEU 128.A N LYS 154.A O no hydrogen 2.901 N/A ALA 137.A N SER 134.A OG no hydrogen 3.173 N/A LEU 138.A N SER 134.A O no hydrogen 2.948 N/A ALA 139.A N PRO 135.A O no hydrogen 2.772 N/A SER 140.A N ALA 136.A O no hydrogen 2.881 N/A ILE 141.A N ALA 137.A O no hydrogen 3.252 N/A ALA 142.A N LEU 138.A O no hydrogen 2.905 N/A HIS 143.A N ALA 139.A O no hydrogen 2.946 N/A HIS 143.A ND1 ALA 177.A O no hydrogen 3.069 N/A GLN 144.A N SER 140.A O no hydrogen 3.170 N/A LEU 145.A N ILE 141.A O no hydrogen 2.953 N/A ALA 146.A N ALA 142.A O no hydrogen 2.879 N/A LEU 147.A N HIS 143.A O no hydrogen 2.867 N/A GLY 148.A N LEU 145.A O no hydrogen 2.920 N/A GLY 149.A N ALA 146.A O no hydrogen 2.979 N/A ASP 151.A N THR 124.A OG1 no hydrogen 3.022 N/A LEU 152.A N THR 124.A O no hydrogen 3.037 N/A ILE 153.A N LEU 190.A O no hydrogen 2.679 N/A LYS 154.A N SER 126.A O no hydrogen 2.964 N/A LYS 154.A NZ ASP 155.A O no hydrogen 2.999 N/A ASP 155.A N ALA 192.A O no hydrogen 2.948 N/A ASP 156.A N LEU 128.A O no hydrogen 3.221 N/A GLY 158.A N ASP 156.A OD2 no hydrogen 2.793 N/A LEU 159.A N ASP 156.A O no hydrogen 2.952 N/A ALA 160.A N GLN 162.A OE1 no hydrogen 2.841 N/A GLN 162.A N GLN 162.A OE1 no hydrogen 2.762 N/A GLN 162.A NE2 GLY 158.A O no hydrogen 2.942 N/A SER 165.A N GLN 162.A O no hydrogen 3.105 N/A SER 165.A OG SER 165.A O no hydrogen 2.557 N/A PHE 167.A N ASP 161.A OD1 no hydrogen 2.775 N/A ARG 170.A N PRO 166.A O no hydrogen 2.908 N/A ARG 170.A NE SER 165.A O no hydrogen 3.303 N/A ARG 170.A NH1 ASP 155.A OD2 no hydrogen 3.049 N/A ARG 170.A NH1 ALA 160.A O no hydrogen 3.091 N/A ARG 170.A NH2 ALA 160.A O no hydrogen 2.533 N/A ARG 170.A NH2 SER 165.A O no hydrogen 2.651 N/A ALA 171.A N PHE 167.A O no hydrogen 2.908 N/A ALA 172.A N ALA 168.A O no hydrogen 3.244 N/A ALA 173.A N GLU 169.A O.A no hydrogen 3.188 N/A ALA 173.A N GLU 169.A O.B no hydrogen 3.216 N/A VAL 174.A N ARG 170.A O no hydrogen 2.822 N/A GLY 175.A N ALA 171.A O no hydrogen 2.801 N/A LYS 176.A N ALA 172.A O no hydrogen 2.938 N/A LYS 176.A NZ GLU 180.A OE2 no hydrogen 2.613 N/A ALA 177.A N ALA 173.A O no hydrogen 3.194 N/A VAL 178.A N VAL 174.A O no hydrogen 2.967 N/A ARG 179.A N GLY 175.A O no hydrogen 3.089 N/A GLU 180.A N LYS 176.A O no hydrogen 2.963 N/A ALA 181.A N ALA 177.A O no hydrogen 3.186 N/A ASN 182.A N VAL 178.A O no hydrogen 2.879 N/A ASN 182.A ND2 THR 189.A O no hydrogen 3.026 N/A ALA 183.A N ARG 179.A O no hydrogen 2.946 N/A ALA 184.A N GLU 180.A O no hydrogen 3.028 N/A ALA 184.A N ALA 181.A O no hydrogen 3.193 N/A ARG 185.A N ALA 181.A O no hydrogen 3.202 N/A ARG 185.A NE LEU 147.A O no hydrogen 2.811 N/A GLY 187.A N ASN 182.A O no hydrogen 2.765 N/A ARG 188.A NE LEU 115.A O no hydrogen 3.006 N/A THR 189.A N ASN 182.A OD1 no hydrogen 2.880 N/A THR 189.A OG1 VAL 150.A O no hydrogen 2.668 N/A LEU 190.A N ASP 151.A O no hydrogen 2.871 N/A TYR 191.A OH ASP 155.A OD1 no hydrogen 2.724 N/A ALA 192.A N ILE 153.A O no hydrogen 2.677 N/A ASN 194.A N ASP 155.A OD2 no hydrogen 2.804 N/A ASN 194.A ND2 LEU 159.A O no hydrogen 2.885 N/A ILE 195.A N LEU 218.A O no hydrogen 3.029 N/A SER 196.A N GLN 205.A OE1 no hydrogen 2.878 N/A THR 198.A N ASP 201.A OD2 no hydrogen 2.750 N/A THR 198.A OG1 ASP 201.A OD2 no hydrogen 3.227 N/A ASP 201.A N THR 198.A OG1 no hydrogen 3.078 N/A MET 202.A N THR 198.A O no hydrogen 2.845 N/A ARG 203.A N LEU 199.A O no hydrogen 3.003 N/A ARG 203.A NH1 GLU 235.A OE2 no hydrogen 2.908 N/A ARG 204.A N ASP 200.A O no hydrogen 3.163 N/A ARG 204.A NH1 ASP 201.A OD1 no hydrogen 3.150 N/A GLN 205.A N ASP 201.A O no hydrogen 3.013 N/A LEU 206.A N MET 202.A O no hydrogen 2.777 N/A GLY 207.A N ARG 203.A O no hydrogen 2.893 N/A VAL 208.A N ARG 204.A O no hydrogen 3.108 N/A ILE 209.A N GLN 205.A O no hydrogen 3.029 N/A ARG 210.A N LEU 206.A O no hydrogen 3.008 N/A ASP 211.A N GLY 207.A O no hydrogen 3.013 N/A GLU 212.A N VAL 208.A O no hydrogen 2.905 N/A GLY 213.A N ARG 210.A O no hydrogen 3.187 N/A ILE 214.A N ILE 209.A O no hydrogen 3.049 N/A ALA 216.A N TYR 191.A O no hydrogen 3.242 N/A VAL 217.A N VAL 240.A O no hydrogen 2.816 N/A LEU 218.A N PRO 193.A O no hydrogen 2.957 N/A VAL 219.A N VAL 242.A O no hydrogen 2.890 N/A ILE 223.A N ALA 220.A O no hydrogen 3.003 N/A VAL 224.A N ALA 220.A O no hydrogen 3.113 N/A GLY 225.A N PRO 221.A O no hydrogen 2.860 N/A SER 227.A OG GLU 69.A OE2 no hydrogen 2.335 N/A ASN 228.A ND2 VAL 224.A O no hydrogen 3.000 N/A PHE 229.A N GLY 225.A O no hydrogen 2.876 N/A HIS 230.A N VAL 226.A O no hydrogen 2.910 N/A HIS 230.A ND1 PHE 263.A O no hydrogen 2.860 N/A ALA 231.A N SER 227.A O no hydrogen 3.034 N/A ILE 232.A N ASN 228.A O no hydrogen 2.910 N/A VAL 233.A N PHE 229.A O no hydrogen 3.000 N/A LYS 234.A N HIS 230.A O no hydrogen 3.250 N/A GLU 235.A N ILE 232.A O no hydrogen 2.771 N/A ALA 236.A N VAL 233.A O no hydrogen 3.231 N/A LEU 239.A N ALA 236.A O no hydrogen 3.230 N/A VAL 240.A N GLY 215.A O no hydrogen 2.846 N/A VAL 241.A N ASP 266.A OD2 no hydrogen 2.799 N/A VAL 242.A N VAL 217.A O no hydrogen 2.730 N/A ALA 243.A N ALA 267.A O no hydrogen 2.876 N/A HIS 244.A N VAL 219.A O no hydrogen 2.797 N/A ALA 246.A N HIS 244.A ND1 no hydrogen 3.035 N/A ALA 248.A N PRO 245.A O no hydrogen 2.824 N/A ALA 251.A N LEU 89.A O no hydrogen 2.891 N/A LEU 255.A N ALA 251.A O no hydrogen 3.010 N/A LEU 256.A N ALA 252.A O no hydrogen 2.830 N/A GLY 257.A N PRO 253.A O no hydrogen 3.021 N/A ARG 258.A N PRO 253.A O no hydrogen 3.113 N/A ARG 258.A NH1 VAL 92.A O no hydrogen 3.100 N/A LEU 259.A N LEU 254.A O no hydrogen 2.778 N/A PHE 260.A N LEU 255.A O no hydrogen 2.946 N/A ARG 261.A N GLY 257.A O no hydrogen 3.226 N/A ARG 261.A NE ASN 297.A O no hydrogen 2.830 N/A ARG 261.A NH1 ALA 288.A O no hydrogen 2.898 N/A ARG 261.A NH1 ASP 291.A O no hydrogen 2.731 N/A ARG 261.A NH2 ASP 291.A O no hydrogen 2.813 N/A ARG 261.A NH2 LEU 296.A O no hydrogen 3.212 N/A ARG 261.A NH2 ASN 297.A O no hydrogen 3.288 N/A LEU 262.A N ARG 258.A O no hydrogen 2.787 N/A PHE 263.A N LEU 259.A O no hydrogen 2.900 N/A GLY 264.A N PHE 260.A O no hydrogen 2.990 N/A GLY 264.A N ARG 261.A O no hydrogen 3.034 N/A ALA 265.A N PHE 260.A O no hydrogen 2.896 N/A ASP 266.A N VAL 241.A O no hydrogen 2.738 N/A ALA 267.A N VAL 241.A O no hydrogen 3.227 N/A THR 268.A N ILE 300.A O no hydrogen 2.983 N/A THR 268.A OG1 LEU 256.A O no hydrogen 3.335 N/A VAL 269.A N ALA 243.A O no hydrogen 2.959 N/A PHE 270.A N THR 302.A O no hydrogen 3.214 N/A ASN 272.A N ALA 304.A O no hydrogen 2.728 N/A TYR 273.A OH GLU 314.A OE2 no hydrogen 2.578 N/A GLY 274.A N ASN 272.A OD1 no hydrogen 2.934 N/A SER 278.A OG SER 281.A OG no hydrogen 3.051 N/A SER 281.A N SER 278.A OG no hydrogen 2.889 N/A SER 281.A OG SER 278.A OG no hydrogen 3.051 N/A CYS 282.A N SER 278.A O no hydrogen 2.974 N/A CYS 282.A SG PRO 271.A O no hydrogen 3.767 N/A CYS 282.A SG SER 278.A O no hydrogen 3.440 N/A LEU 283.A N THR 279.A O no hydrogen 2.895 N/A ALA 284.A N ALA 280.A O no hydrogen 2.964 N/A LEU 285.A N SER 281.A O no hydrogen 2.919 N/A ALA 286.A N CYS 282.A O no hydrogen 3.009 N/A GLN 287.A N LEU 283.A O no hydrogen 2.933 N/A ALA 288.A N ALA 284.A O no hydrogen 2.839 N/A ALA 289.A N LEU 285.A O no hydrogen 2.996 N/A ARG 290.A N ALA 286.A O no hydrogen 2.981 N/A ARG 290.A N GLN 287.A O no hydrogen 3.189 N/A ARG 290.A NH1 TYR 319.A O no hydrogen 2.820 N/A ARG 290.A NH1 ASP 322.A O no hydrogen 2.722 N/A ARG 290.A NH2 TYR 319.A O no hydrogen 3.081 N/A ASP 291.A N GLN 287.A O no hydrogen 2.848 N/A LEU 296.A N PHE 293.A O no hydrogen 2.953 N/A ASN 297.A ND2 PRO 105.A O no hydrogen 2.901 N/A CYS 299.A N ALA 289.A O no hydrogen 2.924 N/A CYS 299.A SG ALA 265.A O no hydrogen 3.362 N/A CYS 299.A SG THR 268.A OG1 no hydrogen 2.719 N/A ILE 300.A N ASP 266.A O no hydrogen 2.808 N/A THR 302.A N THR 268.A O no hydrogen 2.809 N/A THR 302.A OG1 ILE 300.A O no hydrogen 3.230 N/A ALA 304.A N PHE 270.A O no hydrogen 2.824 N/A ILE 307.A N GLY 305.A O no hydrogen 2.437 N/A ARG 311.A N MET 308.A O no hydrogen 2.844 N/A ARG 311.A NE GLU 314.A OE1 no hydrogen 2.673 N/A ARG 311.A NH2 GLU 314.A OE1 no hydrogen 3.286 N/A ARG 311.A NH2 GLU 314.A OE2 no hydrogen 3.241 N/A LEU 315.A N ARG 311.A O no hydrogen 2.989 N/A LEU 316.A N VAL 312.A O no hydrogen 2.946 N/A ARG 317.A N ASN 313.A O no hydrogen 2.878 N/A PHE 318.A N GLU 314.A O no hydrogen 2.847 N/A TYR 319.A N LEU 315.A O no hydrogen 2.829 N/A GLY 320.A N LEU 316.A O no hydrogen 2.895 N/A MET 324.A N PRO 301.A O no hydrogen 3.011 N/A LEU 325.A N LEU 123.A O no hydrogen 3.012 N/A LEU 326.A N PRO 303.A O no hydrogen 2.936 N/A ILE 327.A N ALA 125.A O no hydrogen 2.602 N/A THR 330.A OG1 GLN 144.A O no hydrogen 2.892 N/A GLN 332.A N ARG 328.A O no hydrogen 3.238 N/A ALA 333.A N LEU 329.A O no hydrogen 2.808 N/A SER 334.A N THR 330.A O no hydrogen 2.734 N/A SER 334.A OG THR 330.A O no hydrogen 2.801 N/A ARG 335.A N GLU 331.A O no hydrogen 3.052 N/A PHE 336.A N GLN 332.A O no hydrogen 3.251 N/A PHE 336.A N ALA 333.A O no hydrogen 2.974 N/A VAL 337.A N ALA 333.A O no hydrogen 2.950 N/A ASN 338.A N SER 334.A O no hydrogen 2.805 N/A LYS 339.A N ARG 335.A O no hydrogen 3.283 N/A VAL 340.A N PHE 336.A O no hydrogen 2.994 N/A ALA 341.A N VAL 337.A O no hydrogen 2.905 N/A ASP 342.A N ASN 338.A O no hydrogen 2.876 N/A TYR 343.A N VAL 340.A O no hydrogen 3.255 N/A GLN 345.A N ASP 342.A O no hydrogen 3.414 N/A