Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5fwd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N ASP 1.A O no hydrogen 3.200 N/A ASP 5.A N ASP 1.A OD2 no hydrogen 2.859 N/A TYR 8.A N GLN 4.A O no hydrogen 2.848 N/A TYR 8.A OH GLU 126.A OE1 no hydrogen 2.641 N/A PHE 9.A N ASP 5.A O no hydrogen 2.983 N/A ASP 10.A N GLU 6.A O no hydrogen 3.015 N/A SER 11.A N GLU 7.A O no hydrogen 3.202 N/A SER 11.A OG TYR 8.A O no hydrogen 2.772 N/A TYR 12.A OH GLU 126.A OE1 no hydrogen 3.319 N/A TYR 12.A OH GLU 126.A OE2 no hydrogen 2.881 N/A GLY 13.A N ASP 10.A O no hydrogen 3.191 N/A THR 14.A OG1 SER 11.A O no hydrogen 2.873 N/A HIS 18.A NE2 TYR 12.A O no hydrogen 2.551 N/A LEU 19.A N LEU 15.A O no hydrogen 2.756 N/A GLU 20.A N LYS 16.A O no hydrogen 3.187 N/A MET 21.A N LEU 17.A O no hydrogen 3.122 N/A LEU 22.A N HIS 18.A O no hydrogen 2.869 N/A ALA 23.A N LEU 19.A O no hydrogen 2.740 N/A ASP 24.A N MET 21.A O no hydrogen 3.229 N/A ARG 27.A N ASP 24.A OD1 no hydrogen 3.406 N/A ARG 27.A NE GLU 117.A OE2 no hydrogen 2.623 N/A ARG 27.A NH1 THR 28.A OG1 no hydrogen 3.123 N/A ARG 27.A NH2 GLU 117.A OE2 no hydrogen 3.283 N/A THR 28.A N ASP 24.A O no hydrogen 2.936 N/A THR 28.A OG1 LEU 22.A O no hydrogen 3.295 N/A THR 28.A OG1 ASP 24.A O no hydrogen 3.111 N/A THR 29.A N GLN 25.A O no hydrogen 2.975 N/A THR 29.A OG1 GLN 25.A O no hydrogen 2.453 N/A TYR 31.A N ARG 27.A O no hydrogen 3.317 N/A TYR 31.A OH SER 116.A O no hydrogen 2.766 N/A HIS 32.A N THR 28.A O no hydrogen 2.969 N/A HIS 32.A NE2 HIS 64.A NE2 no hydrogen 2.924 N/A SER 33.A N THR 29.A O no hydrogen 2.922 N/A SER 33.A OG THR 29.A O no hydrogen 2.947 N/A VAL 34.A N LYS 30.A O no hydrogen 2.986 N/A ILE 35.A N TYR 31.A O no hydrogen 3.178 N/A LEU 36.A N HIS 32.A O no hydrogen 2.906 N/A GLN 37.A N SER 33.A O no hydrogen 2.753 N/A ASN 38.A N ILE 35.A O no hydrogen 3.219 N/A ASN 38.A ND2 VAL 34.A O no hydrogen 2.783 N/A LYS 39.A N LEU 36.A O no hydrogen 3.399 N/A GLU 40.A N GLU 40.A OE1 no hydrogen 2.687 N/A LEU 42.A N LYS 39.A O no hydrogen 3.356 N/A LYS 43.A N GLU 40.A O no hydrogen 3.443 N/A LYS 43.A NZ ASP 44.A OD2 no hydrogen 2.984 N/A ASP 44.A N ARG 66.A O no hydrogen 2.936 N/A LYS 45.A N LEU 42.A O no hydrogen 3.108 N/A VAL 46.A N ASP 112.A OD2 no hydrogen 2.903 N/A ILE 47.A N ALA 69.A O no hydrogen 2.904 N/A LEU 48.A N VAL 113.A O no hydrogen 2.727 N/A ASP 49.A N TYR 71.A O no hydrogen 2.756 N/A VAL 50.A N VAL 115.A O no hydrogen 3.123 N/A GLY 51.A N VAL 73.A O no hydrogen 2.695 N/A CYS 52.A N VAL 73.A O no hydrogen 3.236 N/A CYS 52.A SG GLY 53.A O no hydrogen 3.805 N/A GLY 53.A N GLU 74.A OE1 no hydrogen 2.899 N/A GLY 55.A N CYS 52.A O no hydrogen 2.845 N/A SER 58.A OG ASP 49.A OD2 no hydrogen 2.852 N/A LEU 59.A N GLY 55.A O no hydrogen 2.987 N/A PHE 60.A N ILE 56.A O no hydrogen 2.915 N/A CYS 61.A N ILE 57.A O no hydrogen 3.111 N/A CYS 61.A SG ILE 57.A O no hydrogen 3.298 N/A ALA 62.A N SER 58.A O no hydrogen 3.018 N/A HIS 63.A N LEU 59.A O no hydrogen 3.058 N/A HIS 64.A N PHE 60.A O no hydrogen 2.935 N/A ALA 65.A N CYS 61.A O no hydrogen 2.940 N/A ARG 66.A NH1 HIS 63.A O no hydrogen 3.149 N/A ARG 66.A NH1 ALA 65.A O no hydrogen 2.574 N/A LYS 68.A N LYS 45.A O no hydrogen 2.844 N/A LYS 68.A NZ GLU 109.A OE1 no hydrogen 3.325 N/A LYS 68.A NZ GLU 109.A OE2 no hydrogen 3.464 N/A ALA 69.A N LYS 45.A O no hydrogen 3.486 N/A VAL 70.A N THR 94.A O no hydrogen 2.931 N/A TYR 71.A N ILE 47.A O no hydrogen 2.716 N/A ALA 72.A N THR 96.A O no hydrogen 2.853 N/A VAL 73.A N ASP 49.A O no hydrogen 2.872 N/A GLU 74.A N PHE 98.A O no hydrogen 2.872 N/A SER 76.A N GLU 74.A OE2 no hydrogen 2.912 N/A SER 76.A OG TYR 12.A O no hydrogen 3.024 N/A SER 76.A OG GLU 74.A OE2 no hydrogen 2.699 N/A MET 78.A N SER 76.A OG no hydrogen 3.282 N/A ALA 79.A N SER 76.A O no hydrogen 3.272 N/A GLN 80.A N ASP 77.A O no hydrogen 3.311 N/A GLN 80.A NE2 GLN 99.A OE1 no hydrogen 3.288 N/A HIS 81.A N MET 78.A O no hydrogen 3.034 N/A THR 82.A N MET 78.A O no hydrogen 3.037 N/A THR 82.A OG1 GLY 53.A O no hydrogen 2.510 N/A THR 82.A OG1 MET 78.A O no hydrogen 2.959 N/A SER 83.A N ALA 79.A O no hydrogen 2.967 N/A GLN 84.A N GLN 80.A O no hydrogen 3.409 N/A LEU 85.A N HIS 81.A O no hydrogen 2.767 N/A VAL 86.A N THR 82.A O no hydrogen 2.850 N/A LEU 87.A N SER 83.A O no hydrogen 3.073 N/A GLN 88.A N GLN 84.A O no hydrogen 2.949 N/A ASN 89.A N LEU 85.A O no hydrogen 3.053 N/A ASN 89.A ND2 LEU 85.A O no hydrogen 2.739 N/A GLY 90.A N LEU 87.A O no hydrogen 2.892 N/A PHE 91.A N VAL 86.A O no hydrogen 2.945 N/A ASP 93.A N ASP 93.A OD1 no hydrogen 2.452 N/A THR 94.A N PHE 91.A O no hydrogen 2.948 N/A ILE 95.A N PHE 91.A O no hydrogen 2.828 N/A THR 96.A N VAL 70.A O no hydrogen 2.833 N/A PHE 98.A N ALA 72.A O no hydrogen 2.781 N/A LYS 101.A NZ ASP 5.A OD2 no hydrogen 2.944 N/A GLU 103.A N GLU 103.A OE1 no hydrogen 2.702 N/A ASP 104.A N LYS 101.A O no hydrogen 2.871 N/A VAL 105.A N LYS 101.A O no hydrogen 3.036 N/A LYS 110.A NZ THR 138.A O no hydrogen 3.217 N/A VAL 111.A N TRP 139.A O no hydrogen 2.724 N/A ASP 112.A N VAL 46.A O no hydrogen 2.761 N/A VAL 113.A N VAL 46.A O no hydrogen 3.062 N/A LEU 114.A N ILE 145.A O no hydrogen 3.015 N/A VAL 115.A N LEU 48.A O no hydrogen 2.908 N/A SER 116.A N TRP 147.A O no hydrogen 2.981 N/A SER 116.A OG VAL 50.A O no hydrogen 2.781 N/A GLY 120.A N LEU 123.A O no hydrogen 2.985 N/A LEU 124.A N CYS 122.A O no hydrogen 2.684 N/A PHE 125.A N THR 121.A O no hydrogen 3.183 N/A GLU 126.A N ARG 309.A O no hydrogen 3.020 N/A PHE 127.A N LEU 124.A O no hydrogen 2.890 N/A GLU 130.A N PHE 127.A O no hydrogen 3.358 N/A SER 131.A OG GLU 103.A OE2 no hydrogen 2.580 N/A ILE 132.A N MET 128.A O no hydrogen 3.034 N/A LEU 133.A N ILE 129.A O no hydrogen 2.839 N/A TYR 134.A N GLU 130.A O no hydrogen 3.025 N/A ALA 135.A N SER 131.A O no hydrogen 3.020 N/A ARG 136.A N ILE 132.A O no hydrogen 2.857 N/A ARG 136.A NE ASP 137.A OD1 no hydrogen 2.839 N/A ARG 136.A NH1 MET 217.A O no hydrogen 2.777 N/A ARG 136.A NH1 VAL 220.A O no hydrogen 2.906 N/A ARG 136.A NH2 ASP 137.A OD1 no hydrogen 2.974 N/A ARG 136.A NH2 VAL 220.A O no hydrogen 2.931 N/A ASP 137.A N LEU 133.A O no hydrogen 2.998 N/A THR 138.A N TYR 134.A O no hydrogen 2.873 N/A THR 138.A OG1 TYR 134.A O no hydrogen 2.892 N/A TRP 139.A N ALA 135.A O no hydrogen 2.808 N/A LYS 141.A N VAL 111.A O no hydrogen 2.998 N/A LYS 141.A NZ ASP 112.A OD1 no hydrogen 2.699 N/A GLY 144.A N LYS 141.A O no hydrogen 2.902 N/A ILE 145.A N ASP 112.A O no hydrogen 3.000 N/A TRP 147.A N LEU 114.A O no hydrogen 2.752 N/A TRP 147.A NE1 GLN 254.A O no hydrogen 2.762 N/A THR 149.A N TYR 252.A O no hydrogen 2.568 N/A THR 149.A OG1 ILE 146.A O no hydrogen 3.066 N/A THR 150.A N TYR 252.A O no hydrogen 3.268 N/A ALA 151.A N LEU 215.A O no hydrogen 2.919 N/A ALA 152.A N SER 250.A O no hydrogen 2.859 N/A LEU 153.A N LEU 213.A O no hydrogen 2.845 N/A HIS 154.A N TRP 248.A O no hydrogen 2.715 N/A HIS 154.A NE2 SER 250.A OG no hydrogen 2.673 N/A LEU 155.A N CYS 210.A O no hydrogen 2.972 N/A VAL 156.A N THR 246.A O no hydrogen 2.986 N/A CYS 158.A N GLY 244.A O no hydrogen 3.007 N/A CYS 158.A SG GLY 244.A O no hydrogen 3.667 N/A CYS 158.A SG THR 246.A OG1 no hydrogen 3.033 N/A SER 159.A N ASP 204.A O no hydrogen 2.961 N/A SER 159.A OG ASP 204.A O no hydrogen 3.540 N/A SER 159.A OG ASP 204.A OD1 no hydrogen 2.965 N/A ALA 160.A N HIS 243.A ND1 no hydrogen 2.879 N/A TYR 164.A N ALA 160.A O no hydrogen 3.002 N/A HIS 165.A N GLU 161.A O no hydrogen 2.746 N/A SER 166.A N LYS 162.A O no hydrogen 3.078 N/A SER 166.A OG LYS 162.A O no hydrogen 2.925 N/A SER 166.A OG ASP 163.A O no hydrogen 3.299 N/A LYS 167.A N ASP 163.A O no hydrogen 3.159 N/A LYS 167.A NZ SER 166.A OG no hydrogen 3.188 N/A VAL 168.A N TYR 164.A O no hydrogen 2.845 N/A LEU 169.A N TYR 164.A O no hydrogen 3.179 N/A TRP 171.A N VAL 168.A O no hydrogen 3.336 N/A TRP 171.A NE1 LYS 167.A O no hydrogen 2.949 N/A ASP 172.A N LEU 169.A O no hydrogen 3.045 N/A ASN 173.A ND2 GLU 176.A OE1 no hydrogen 3.466 N/A PHE 177.A N ALA 174.A O no hydrogen 3.023 N/A LEU 179.A N TRP 171.A O no hydrogen 2.902 N/A SER 180.A N ASN 178.A OD1 no hydrogen 3.106 N/A SER 180.A OG ASN 178.A OD1 no hydrogen 2.718 N/A LEU 182.A N LEU 179.A O no hydrogen 2.938 N/A LYS 183.A N SER 180.A O no hydrogen 3.232 N/A LYS 183.A NZ ASP 172.A OD1 no hydrogen 3.390 N/A ALA 186.A N LEU 182.A O no hydrogen 2.901 N/A ILE 187.A N LYS 183.A O no hydrogen 2.823 N/A LYS 188.A N SER 184.A O no hydrogen 2.976 N/A GLU 189.A N LEU 185.A O no hydrogen 2.765 N/A PHE 190.A N ALA 186.A O no hydrogen 2.857 N/A PHE 191.A N ILE 187.A O no hydrogen 3.174 N/A SER 192.A OG LYS 188.A O no hydrogen 2.337 N/A ARG 193.A NH1 TRP 338.A O no hydrogen 2.955 N/A LYS 195.A N LEU 280.A O no hydrogen 2.881 N/A LYS 195.A NZ ASP 163.A OD1 no hydrogen 2.682 N/A LYS 195.A NZ ASP 163.A OD2 no hydrogen 3.252 N/A LYS 195.A NZ HIS 198.A ND1 no hydrogen 3.093 N/A HIS 198.A N GLN 278.A O no hydrogen 3.093 N/A LEU 200.A N GLN 278.A OE1 no hydrogen 2.469 N/A GLU 203.A N GLU 203.A OE1 no hydrogen 3.124 N/A ASP 204.A N LYS 201.A O no hydrogen 2.889 N/A CYS 205.A N PRO 202.A O no hydrogen 3.184 N/A LEU 206.A N PRO 157.A O no hydrogen 2.920 N/A SER 207.A OG GLU 208.A O no hydrogen 2.970 N/A CYS 210.A N LEU 155.A O no hydrogen 2.996 N/A THR 211.A OG1 HIS 154.A ND1 no hydrogen 3.378 N/A ILE 212.A N LEU 153.A O no hydrogen 2.899 N/A LEU 215.A N ALA 151.A O no hydrogen 2.768 N/A MET 217.A N THR 149.A O no hydrogen 3.002 N/A ARG 218.A N ASP 216.A OD1 no hydrogen 3.111 N/A ARG 218.A NE ASP 216.A OD1 no hydrogen 2.910 N/A ARG 218.A NH2 ASP 216.A OD1 no hydrogen 3.477 N/A ARG 218.A NH2 ASP 216.A OD2 no hydrogen 3.079 N/A THR 219.A N ASP 216.A O no hydrogen 3.019 N/A VAL 220.A N ASP 216.A O no hydrogen 2.790 N/A GLN 221.A N ASP 224.A OD2 no hydrogen 2.770 N/A GLN 221.A NE2 THR 219.A O no hydrogen 3.308 N/A ASP 224.A N GLN 221.A O no hydrogen 2.982 N/A LEU 225.A N VAL 222.A O no hydrogen 2.900 N/A GLU 226.A N PRO 223.A O no hydrogen 3.481 N/A THR 227.A OG1 GLN 302.A OE1 no hydrogen 2.532 N/A MET 228.A N LEU 301.A O no hydrogen 2.848 N/A GLY 230.A N VAL 299.A O no hydrogen 2.923 N/A LEU 232.A N GLY 297.A O no hydrogen 2.756 N/A PHE 234.A N VAL 295.A O no hydrogen 2.704 N/A ILE 236.A N ASP 293.A O no hydrogen 2.802 N/A GLN 237.A N LEU 206.A O no hydrogen 2.819 N/A GLN 237.A NE2 GLU 208.A OE2 no hydrogen 3.042 N/A LYS 238.A NZ GLU 203.A O no hydrogen 2.486 N/A GLY 240.A N VAL 289.A O no hydrogen 3.152 N/A LEU 242.A N VAL 287.A O no hydrogen 2.787 N/A HIS 243.A N CYS 158.A O no hydrogen 3.010 N/A PHE 245.A N PHE 281.A O no hydrogen 2.870 N/A THR 246.A N VAL 156.A O no hydrogen 2.819 N/A ALA 247.A N THR 279.A O no hydrogen 2.740 N/A TRP 248.A N HIS 154.A O no hydrogen 3.169 N/A PHE 249.A N THR 267.A OG1 no hydrogen 2.976 N/A SER 250.A N ALA 152.A O no hydrogen 2.980 N/A SER 250.A OG HIS 154.A NE2 no hydrogen 2.673 N/A SER 250.A OG TYR 252.A OH no hydrogen 3.418 N/A VAL 251.A N LEU 265.A O no hydrogen 2.835 N/A TYR 252.A N THR 150.A O no hydrogen 2.858 N/A TYR 252.A OH SER 250.A OG no hydrogen 3.418 N/A PHE 253.A N GLN 263.A O no hydrogen 2.908 N/A GLN 254.A N THR 149.A OG1 no hydrogen 2.838 N/A SER 255.A OG ASN 38.A OD1 no hydrogen 3.291 N/A SER 255.A OG GLU 257.A O no hydrogen 3.328 N/A LEU 256.A N ASN 38.A OD1 no hydrogen 2.751 N/A GLU 257.A N SER 255.A OG no hydrogen 3.083 N/A GLN 260.A N GLU 257.A O no hydrogen 3.340 N/A GLN 263.A N PHE 253.A O no hydrogen 3.011 N/A LEU 265.A N VAL 251.A O no hydrogen 3.011 N/A THR 267.A N PHE 249.A O no hydrogen 2.960 N/A THR 267.A OG1 PHE 249.A O no hydrogen 2.814 N/A GLY 268.A N SER 266.A OG no hydrogen 3.247 N/A HIS 271.A N GLY 268.A O no hydrogen 3.120 N/A HIS 275.A N ASP 24.A OD2 no hydrogen 2.757 N/A HIS 275.A ND1 ASP 24.A OD2 no hydrogen 2.527 N/A TRP 276.A N THR 274.A OG1 no hydrogen 3.218 N/A TRP 276.A NE1 MET 119.A O no hydrogen 2.993 N/A LYS 277.A N THR 274.A O no hydrogen 3.160 N/A GLN 278.A N HIS 198.A O no hydrogen 2.793 N/A GLN 278.A NE2 THR 267.A O no hydrogen 3.499 N/A THR 279.A N ALA 247.A O no hydrogen 2.929 N/A LEU 280.A N LYS 195.A O no hydrogen 2.854 N/A PHE 281.A N PHE 245.A O no hydrogen 2.622 N/A MET 283.A N HIS 243.A O no hydrogen 2.967 N/A VAL 287.A N LEU 242.A O no hydrogen 2.842 N/A VAL 289.A N GLY 240.A O no hydrogen 3.005 N/A HIS 290.A N ASP 293.A OD2 no hydrogen 2.673 N/A GLY 292.A N ILE 236.A O no hydrogen 2.963 N/A ASP 293.A N HIS 290.A O no hydrogen 3.143 N/A VAL 294.A N THR 320.A O no hydrogen 3.081 N/A VAL 295.A N PHE 234.A O no hydrogen 2.759 N/A THR 296.A N VAL 318.A O no hydrogen 3.022 N/A SER 298.A N SER 316.A O no hydrogen 2.888 N/A VAL 299.A N GLY 230.A O no hydrogen 2.921 N/A VAL 300.A N SER 314.A O no hydrogen 2.849 N/A LEU 301.A N MET 228.A O no hydrogen 2.754 N/A GLN 302.A N SER 312.A O no hydrogen 2.870 N/A GLN 302.A NE2 ARG 303.A O no hydrogen 3.067 N/A ARG 303.A N GLU 226.A O no hydrogen 2.910 N/A ARG 303.A NH1 GLU 130.A OE1 no hydrogen 2.827 N/A ARG 303.A NH2 GLU 130.A OE1 no hydrogen 3.321 N/A ARG 303.A NH2 ARG 308.A O no hydrogen 2.676 N/A ASN 304.A N HIS 310.A O no hydrogen 3.032 N/A ASN 304.A ND2 TRP 339.A O no hydrogen 3.235 N/A VAL 306.A N ASN 304.A OD1 no hydrogen 2.861 N/A TRP 307.A N ASN 304.A OD1 no hydrogen 2.568 N/A ARG 308.A N THR 2.A O no hydrogen 3.358 N/A ARG 308.A NH1 GLU 226.A OE2 no hydrogen 2.925 N/A ARG 308.A NH1 ASN 304.A O no hydrogen 2.881 N/A ARG 308.A NH2 GLU 226.A OE1 no hydrogen 2.681 N/A ARG 308.A NH2 GLU 226.A OE2 no hydrogen 3.440 N/A ARG 309.A NE TRP 3.A O no hydrogen 2.500 N/A ARG 309.A NH1 GLU 126.A O no hydrogen 3.137 N/A ARG 309.A NH2 ASP 5.A OD1 no hydrogen 2.542 N/A HIS 310.A N TRP 307.A O no hydrogen 3.015 N/A HIS 310.A NE2 GLN 4.A OE1 no hydrogen 3.053 N/A MET 311.A N ILE 337.A O no hydrogen 2.930 N/A SER 312.A N GLN 302.A O no hydrogen 2.764 N/A VAL 313.A N PHE 335.A O no hydrogen 2.870 N/A SER 314.A N VAL 300.A O no hydrogen 2.781 N/A LEU 315.A N LYS 333.A O no hydrogen 2.896 N/A SER 316.A N SER 298.A O no hydrogen 2.936 N/A TRP 317.A N GLY 331.A O no hydrogen 2.900 N/A VAL 318.A N THR 296.A O no hydrogen 2.775 N/A VAL 319.A N ARG 329.A O no hydrogen 2.775 N/A THR 320.A N VAL 294.A O no hydrogen 2.933 N/A SER 321.A N SER 327.A O no hydrogen 3.086 N/A ALA 322.A N ASP 293.A OD1 no hydrogen 2.712 N/A ASP 324.A N SER 321.A OG no hydrogen 3.190 N/A THR 326.A N ASP 324.A OD1 no hydrogen 3.176 N/A THR 326.A OG1 ASP 324.A OD1 no hydrogen 2.630 N/A THR 326.A OG1 ASP 324.A OD2 no hydrogen 3.255 N/A SER 327.A N ASP 324.A O no hydrogen 2.905 N/A GLN 328.A NE2 THR 320.A OG1 no hydrogen 2.922 N/A ARG 329.A N VAL 319.A O no hydrogen 2.859 N/A ARG 329.A NH2 PRO 286.A O no hydrogen 3.548 N/A GLY 331.A N TRP 317.A O no hydrogen 3.146 N/A LYS 333.A N LEU 315.A O no hydrogen 2.866 N/A LYS 333.A NZ PHE 191.A O no hydrogen 2.828 N/A LYS 333.A NZ MET 282.A O no hydrogen 2.766 N/A LYS 333.A NZ ASP 284.A OD1 no hydrogen 2.706 N/A PHE 335.A N VAL 313.A O no hydrogen 2.873 N/A ILE 337.A N MET 311.A O no hydrogen 2.669 N/A TRP 338.A N HIS 310.A ND1 no hydrogen 2.900 N/A