Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pqe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 5.A N ASP 30.A OD2 no hydrogen 2.681 N/A LYS 6.A N ASP 74.A OD1 no hydrogen 2.690 N/A LYS 6.A NZ ASP 69.A O no hydrogen 2.926 N/A LYS 6.A NZ ASP 72.A OD1 no hydrogen 2.786 N/A VAL 7.A N GLU 31.A O no hydrogen 2.752 N/A ALA 8.A N ILE 75.A O no hydrogen 2.871 N/A LEU 9.A N VAL 33.A O no hydrogen 2.809 N/A ILE 10.A N CYS 77.A O no hydrogen 2.877 N/A GLY 11.A N ILE 35.A O no hydrogen 3.005 N/A ALA 12.A N ASP 36.A OD2 no hydrogen 2.610 N/A SER 17.A N GLY 13.A O no hydrogen 2.927 N/A SER 17.A OG ALA 12.A O no hydrogen 3.350 N/A SER 17.A OG GLY 13.A O no hydrogen 3.184 N/A SER 17.A OG ASP 45.A OD2 no hydrogen 2.869 N/A SER 18.A N PHE 14.A O no hydrogen 3.188 N/A SER 18.A OG PHE 14.A O no hydrogen 2.758 N/A TYR 19.A N VAL 15.A O no hydrogen 2.917 N/A TYR 19.A OH THR 243.A OG1 no hydrogen 2.760 N/A ALA 20.A N GLY 16.A O no hydrogen 2.841 N/A PHE 21.A N SER 17.A O no hydrogen 2.831 N/A ALA 22.A N SER 18.A O no hydrogen 2.793 N/A LEU 23.A N TYR 19.A O no hydrogen 2.915 N/A ILE 24.A N ALA 20.A O no hydrogen 3.038 N/A ASN 25.A N PHE 21.A O no hydrogen 2.840 N/A ASN 25.A ND2 PHE 21.A O no hydrogen 2.876 N/A GLN 26.A N ALA 22.A O no hydrogen 2.950 N/A ILE 28.A N LEU 23.A O no hydrogen 3.140 N/A THR 29.A OG1 ASN 5.A O no hydrogen 3.236 N/A THR 29.A OG1 GLU 31.A O no hydrogen 3.056 N/A ASP 30.A N ASN 5.A O no hydrogen 3.215 N/A GLU 31.A N ASN 5.A O no hydrogen 2.868 N/A LEU 32.A N LYS 61.A O no hydrogen 2.967 N/A VAL 33.A N VAL 7.A O no hydrogen 2.838 N/A VAL 34.A N SER 63.A O no hydrogen 2.772 N/A ILE 35.A N LEU 9.A O no hydrogen 2.904 N/A ASN 38.A N ASP 36.A OD1 no hydrogen 2.963 N/A LYS 39.A NZ GLU 40.A OE2 no hydrogen 2.865 N/A ALA 42.A N ASN 38.A O no hydrogen 3.068 N/A MET 43.A N LYS 39.A O no hydrogen 2.750 N/A GLY 44.A N GLU 40.A O no hydrogen 2.871 N/A ASP 45.A N LYS 41.A O no hydrogen 2.887 N/A VAL 46.A N ALA 42.A O no hydrogen 2.934 N/A MET 47.A N MET 43.A O no hydrogen 2.784 N/A ASP 48.A N GLY 44.A O no hydrogen 2.819 N/A LEU 49.A N ASP 45.A O no hydrogen 2.802 N/A ASN 50.A N VAL 46.A O no hydrogen 2.947 N/A ASN 50.A ND2 THR 62.A O no hydrogen 2.907 N/A HIS 51.A N MET 47.A O no hydrogen 2.894 N/A HIS 51.A N ASP 48.A O no hydrogen 3.230 N/A LYS 53.A N ASN 50.A O no hydrogen 3.204 N/A LYS 53.A NZ VAL 60.A O no hydrogen 3.453 N/A PHE 55.A N GLY 52.A O no hydrogen 3.120 N/A ALA 56.A N LYS 53.A O no hydrogen 2.973 N/A LYS 61.A N ASP 30.A O no hydrogen 3.026 N/A SER 63.A N LEU 32.A O no hydrogen 3.021 N/A TYR 64.A OH ASP 36.A O no hydrogen 2.723 N/A GLY 65.A N VAL 34.A O no hydrogen 2.962 N/A THR 66.A N ASP 69.A OD2 no hydrogen 2.794 N/A TYR 67.A N THR 66.A OG1 no hydrogen 2.686 N/A ASP 69.A N THR 66.A O no hydrogen 2.869 N/A CYS 70.A N TYR 67.A O no hydrogen 2.786 N/A LYS 71.A N GLU 68.A O no hydrogen 3.368 N/A ALA 73.A N CYS 70.A O no hydrogen 2.985 N/A ASP 74.A N LYS 6.A O no hydrogen 2.919 N/A ILE 75.A N LYS 6.A O no hydrogen 3.408 N/A VAL 76.A N ILE 116.A O no hydrogen 2.937 N/A CYS 77.A N ALA 8.A O no hydrogen 2.839 N/A CYS 77.A SG LEU 118.A O no hydrogen 3.818 N/A ILE 78.A N LEU 118.A O no hydrogen 2.826 N/A CYS 79.A N ILE 10.A O no hydrogen 2.917 N/A ALA 80.A N ILE 10.A O no hydrogen 3.087 N/A ALA 82.A N ASN 97.A OD1 no hydrogen 2.720 N/A GLN 84.A NE2 GLU 88.A O no hydrogen 3.014 N/A LYS 85.A N GLU 88.A OE1 no hydrogen 3.102 N/A GLU 88.A N LYS 85.A O no hydrogen 2.934 N/A THR 89.A N GLU 92.A OE2 no hydrogen 3.147 N/A ARG 90.A NH1 GLU 176.A OE2 no hydrogen 2.970 N/A ARG 90.A NH2 GLU 176.A OE2 no hydrogen 3.008 N/A GLU 92.A N THR 89.A OG1 no hydrogen 3.250 N/A LEU 93.A N THR 89.A O no hydrogen 3.100 N/A VAL 94.A N ARG 90.A O no hydrogen 2.795 N/A GLU 95.A N LEU 91.A O no hydrogen 3.051 N/A LYS 96.A N GLU 92.A O no hydrogen 3.478 N/A LYS 96.A NZ GLU 88.A OE2 no hydrogen 2.881 N/A ASN 97.A N LEU 93.A O no hydrogen 2.966 N/A ASN 97.A ND2 ALA 82.A O no hydrogen 3.027 N/A ASN 97.A ND2 ASN 122.A O no hydrogen 3.133 N/A LEU 98.A N VAL 94.A O no hydrogen 2.850 N/A ILE 100.A N LYS 96.A O no hydrogen 3.236 N/A PHE 101.A N ASN 97.A O no hydrogen 2.767 N/A LYS 102.A N LEU 98.A O no hydrogen 2.800 N/A GLY 103.A N LYS 99.A O no hydrogen 3.361 N/A ILE 104.A N ILE 100.A O no hydrogen 3.013 N/A VAL 105.A N PHE 101.A O no hydrogen 2.786 N/A SER 106.A N LYS 102.A O no hydrogen 3.162 N/A SER 106.A OG LYS 102.A O no hydrogen 3.013 N/A SER 106.A OG GLY 103.A O no hydrogen 3.364 N/A GLU 107.A N GLY 103.A O no hydrogen 3.085 N/A VAL 108.A N ILE 104.A O no hydrogen 2.954 N/A MET 109.A N VAL 105.A O no hydrogen 2.903 N/A ALA 110.A N SER 106.A O no hydrogen 3.001 N/A SER 111.A N VAL 108.A O no hydrogen 3.101 N/A SER 111.A OG VAL 108.A O no hydrogen 2.715 N/A GLY 112.A N MET 109.A O no hydrogen 3.268 N/A PHE 113.A N SER 111.A OG no hydrogen 3.218 N/A ILE 116.A N ASP 74.A O no hydrogen 2.915 N/A PHE 117.A N ARG 141.A O no hydrogen 2.995 N/A LEU 118.A N VAL 76.A O no hydrogen 2.820 N/A VAL 119.A N ILE 143.A O no hydrogen 2.702 N/A ALA 120.A N ILE 78.A O no hydrogen 2.921 N/A THR 121.A OG1 ILE 78.A O no hydrogen 3.325 N/A THR 121.A OG1 ALA 80.A O no hydrogen 2.615 N/A LEU 127.A N PRO 123.A O no hydrogen 3.096 N/A THR 128.A N VAL 124.A O no hydrogen 2.843 N/A THR 128.A OG1 VAL 124.A O no hydrogen 2.647 N/A TYR 129.A N ASP 125.A O no hydrogen 3.147 N/A TYR 129.A OH ASP 268.A OD1 no hydrogen 3.087 N/A TYR 129.A OH ASP 268.A OD2 no hydrogen 3.165 N/A ALA 130.A N ILE 126.A O no hydrogen 2.999 N/A THR 131.A N LEU 127.A O no hydrogen 2.868 N/A THR 131.A OG1 LEU 127.A O no hydrogen 2.715 N/A TRP 132.A N THR 128.A O no hydrogen 3.001 N/A LYS 133.A N TYR 129.A O no hydrogen 3.002 N/A PHE 134.A N ALA 130.A O no hydrogen 2.748 N/A SER 135.A N THR 131.A O no hydrogen 2.975 N/A SER 135.A OG THR 131.A O no hydrogen 2.813 N/A SER 135.A OG TRP 132.A O no hydrogen 3.202 N/A GLY 136.A N TRP 132.A O no hydrogen 3.196 N/A LEU 137.A N SER 135.A OG no hydrogen 3.130 N/A LYS 139.A NZ GLU 140.A OE2 no hydrogen 2.654 N/A ARG 141.A N PRO 138.A O no hydrogen 2.924 N/A ARG 141.A NE GLY 115.A O no hydrogen 3.196 N/A ARG 141.A NH2 ASP 114.A OD1 no hydrogen 2.806 N/A ARG 141.A NH2 GLY 115.A O no hydrogen 3.090 N/A VAL 142.A N LYS 139.A O no hydrogen 3.461 N/A ILE 143.A N PHE 117.A O no hydrogen 2.817 N/A GLY 144.A N SER 257.A O no hydrogen 3.472 N/A SER 145.A N VAL 119.A O no hydrogen 3.154 N/A THR 147.A N THR 255.A O no hydrogen 2.937 N/A THR 147.A OG1 ILE 173.A O no hydrogen 2.676 N/A THR 147.A OG1 THR 255.A O no hydrogen 3.461 N/A THR 147.A OG1 THR 255.A OG1 no hydrogen 2.917 N/A THR 148.A N SER 145.A O no hydrogen 3.166 N/A THR 148.A OG1 SER 145.A O no hydrogen 2.721 N/A SER 151.A N THR 147.A O no hydrogen 2.885 N/A SER 151.A OG THR 147.A O no hydrogen 3.557 N/A SER 151.A OG THR 255.A OG1 no hydrogen 3.056 N/A ALA 152.A N THR 148.A O no hydrogen 2.972 N/A ARG 153.A N LEU 149.A O no hydrogen 3.102 N/A PHE 154.A N ASP 150.A O no hydrogen 2.791 N/A PHE 154.A N SER 151.A O no hydrogen 2.816 N/A ARG 155.A N SER 151.A O no hydrogen 2.729 N/A PHE 156.A N ALA 152.A O no hydrogen 2.768 N/A LEU 158.A N PHE 154.A O no hydrogen 3.339 N/A SER 159.A N ARG 155.A O no hydrogen 3.124 N/A SER 159.A OG PHE 156.A O no hydrogen 3.216 N/A SER 159.A OG ALA 164.A O no hydrogen 2.755 N/A GLU 160.A N PHE 156.A O no hydrogen 2.613 N/A TYR 161.A OH GLU 209.A OE2 no hydrogen 2.732 N/A PHE 162.A N LEU 158.A O no hydrogen 2.814 N/A ALA 164.A N SER 159.A O no hydrogen 3.037 N/A GLN 167.A N GLN 167.A OE1 no hydrogen 2.452 N/A ASN 168.A N ALA 165.A O no hydrogen 2.985 N/A VAL 169.A N PRO 166.A O no hydrogen 2.755 N/A CYS 170.A N ASN 189.A O no hydrogen 2.847 N/A CYS 170.A SG HIS 187.A O no hydrogen 3.958 N/A ILE 173.A N SER 151.A OG no hydrogen 2.831 N/A ILE 174.A N LEU 182.A O no hydrogen 2.932 N/A GLY 175.A N GLY 272.A O no hydrogen 2.829 N/A GLU 176.A N SER 301.A OG no hydrogen 2.849 N/A HIS 177.A N ASP 125.A OD2 no hydrogen 2.930 N/A THR 180.A N GLU 176.A OE1 no hydrogen 3.145 N/A THR 180.A OG1 GLU 176.A OE1 no hydrogen 2.655 N/A THR 180.A OG1 SER 301.A OG no hydrogen 2.761 N/A GLU 181.A N GLY 178.A O no hydrogen 3.184 N/A LEU 182.A N ILE 174.A O no hydrogen 2.814 N/A VAL 184.A N HIS 172.A O no hydrogen 2.991 N/A SER 186.A N GLU 294.A OE2 no hydrogen 2.852 N/A SER 186.A OG HIS 187.A ND1 no hydrogen 2.693 N/A SER 186.A OG GLU 294.A OE1 no hydrogen 2.754 N/A HIS 187.A N VAL 184.A O no hydrogen 3.067 N/A HIS 187.A ND1 SER 186.A OG no hydrogen 2.693 N/A ALA 188.A N TRP 185.A O no hydrogen 3.209 N/A ASN 189.A N CYS 170.A O no hydrogen 2.935 N/A ASN 189.A ND2 HIS 187.A O no hydrogen 3.366 N/A VAL 190.A N VAL 193.A O no hydrogen 2.885 N/A GLY 191.A N ASN 168.A O no hydrogen 2.933 N/A VAL 193.A N VAL 190.A O no hydrogen 2.752 N/A VAL 195.A N ALA 188.A O no hydrogen 2.856 N/A LEU 198.A N PRO 194.A O no hydrogen 3.122 N/A VAL 199.A N VAL 195.A O no hydrogen 2.949 N/A GLU 200.A N SER 196.A O no hydrogen 3.230 N/A ASN 202.A N VAL 199.A O no hydrogen 3.381 N/A TYR 205.A N ASN 202.A O no hydrogen 3.271 N/A LYS 206.A N TYR 161.A OH no hydrogen 3.274 N/A LEU 210.A N LYS 206.A O no hydrogen 3.143 N/A ASP 211.A N GLN 207.A O no hydrogen 2.665 N/A GLN 212.A N GLU 208.A O no hydrogen 2.807 N/A ILE 213.A N GLU 209.A O no hydrogen 3.187 N/A VAL 214.A N LEU 210.A O no hydrogen 3.297 N/A ASP 215.A N ASP 211.A O no hydrogen 2.979 N/A ASP 216.A N GLN 212.A O no hydrogen 3.036 N/A VAL 217.A N ILE 213.A O no hydrogen 3.123 N/A LYS 218.A N VAL 214.A O no hydrogen 3.115 N/A LYS 218.A NZ ASP 179.A O no hydrogen 2.789 N/A LYS 218.A NZ GLU 181.A O no hydrogen 3.437 N/A ASN 219.A N ASP 216.A O no hydrogen 3.278 N/A ALA 220.A N VAL 217.A O no hydrogen 3.480 N/A TYR 222.A OH GLU 226.A OE1 no hydrogen 3.376 N/A HIS 223.A N ASN 219.A O no hydrogen 3.142 N/A ILE 224.A N ALA 220.A O no hydrogen 3.089 N/A ILE 225.A N ALA 221.A O no hydrogen 2.865 N/A GLU 226.A N TYR 222.A O no hydrogen 2.928 N/A LYS 227.A N HIS 223.A O no hydrogen 3.325 N/A LYS 227.A N ILE 224.A O no hydrogen 3.116 N/A LYS 228.A N ILE 224.A O no hydrogen 2.939 N/A LYS 228.A NZ TYR 232.A OH no hydrogen 3.078 N/A GLY 229.A N ILE 225.A O no hydrogen 2.827 N/A ALA 236.A N TYR 232.A O no hydrogen 3.023 N/A MET 237.A N TYR 233.A O no hydrogen 2.998 N/A SER 238.A N GLY 234.A O no hydrogen 2.869 N/A SER 238.A OG VAL 235.A O no hydrogen 2.707 N/A LEU 239.A N VAL 235.A O no hydrogen 2.997 N/A ALA 240.A N ALA 236.A O no hydrogen 2.967 N/A ARG 241.A N MET 237.A O no hydrogen 2.890 N/A ARG 241.A NH1 ARG 241.A O no hydrogen 3.108 N/A ARG 241.A NH1 GLU 250.A OE2 no hydrogen 2.716 N/A ARG 241.A NH2 GLU 250.A OE2 no hydrogen 3.246 N/A ARG 241.A NH2 SER 252.A OG no hydrogen 2.963 N/A ILE 242.A N SER 238.A O no hydrogen 2.984 N/A THR 243.A N LEU 239.A O no hydrogen 2.930 N/A THR 243.A OG1 TYR 19.A OH no hydrogen 2.760 N/A THR 243.A OG1 LEU 239.A O no hydrogen 2.730 N/A LYS 244.A N ALA 240.A O no hydrogen 3.009 N/A LYS 244.A NZ GLU 250.A OE1 no hydrogen 3.242 N/A ALA 245.A N ARG 241.A O no hydrogen 3.114 N/A ILE 246.A N ILE 242.A O no hydrogen 3.033 N/A LEU 247.A N THR 243.A O no hydrogen 2.804 N/A HIS 248.A N LYS 244.A O no hydrogen 2.942 N/A ASN 249.A N ILE 246.A O no hydrogen 3.115 N/A GLU 250.A N ALA 245.A O no hydrogen 3.064 N/A SER 252.A OG GLU 250.A OE2 no hydrogen 2.654 N/A LEU 254.A N ALA 275.A O no hydrogen 2.914 N/A THR 255.A OG1 THR 147.A OG1 no hydrogen 2.917 N/A THR 255.A OG1 SER 151.A OG no hydrogen 3.056 N/A SER 257.A N GLY 144.A O no hydrogen 2.880 N/A SER 257.A OG ASP 125.A OD1 no hydrogen 2.810 N/A THR 258.A N ILE 271.A O no hydrogen 2.874 N/A THR 258.A OG1 VAL 256.A O no hydrogen 2.898 N/A TYR 259.A OH ASP 268.A OD1 no hydrogen 2.850 N/A LEU 260.A N VAL 269.A O no hydrogen 2.944 N/A ASP 261.A N GLN 263.A OE1 no hydrogen 2.921 N/A GLY 262.A N ALA 266.A O no hydrogen 2.655 N/A GLN 263.A N GLN 263.A OE1 no hydrogen 2.637 N/A TYR 264.A N GLU 287.A OE2 no hydrogen 2.876 N/A TYR 264.A OH THR 286.A O no hydrogen 2.465 N/A GLY 265.A N GLY 262.A O no hydrogen 2.885 N/A ALA 266.A N GLN 263.A O no hydrogen 2.993 N/A TYR 270.A OH LYS 139.A O no hydrogen 2.894 N/A ILE 271.A N THR 258.A O no hydrogen 3.002 N/A GLY 272.A N GLY 175.A O no hydrogen 3.054 N/A ALA 275.A N LEU 254.A O no hydrogen 2.924 N/A VAL 276.A N GLY 284.A O no hydrogen 2.791 N/A VAL 277.A N SER 252.A O no hydrogen 2.856 N/A ASN 278.A N GLY 281.A O no hydrogen 2.892 N/A ASN 278.A ND2 ASN 251.A OD1 no hydrogen 2.836 N/A ARG 279.A N ASN 249.A OD1 no hydrogen 2.830 N/A ARG 279.A NH2 LEU 247.A O no hydrogen 3.298 N/A GLY 280.A N ASN 278.A OD1 no hydrogen 3.004 N/A GLY 281.A N ASN 278.A O no hydrogen 2.781 N/A ILE 282.A N GLU 140.A O no hydrogen 2.956 N/A ALA 283.A N VAL 276.A O no hydrogen 2.698 N/A THR 286.A N PRO 274.A O no hydrogen 2.884 N/A THR 286.A OG1 PRO 274.A O no hydrogen 3.504 N/A LEU 288.A N TYR 264.A OH no hydrogen 2.940 N/A ASN 291.A N GLU 294.A OE1 no hydrogen 3.003 N/A GLU 294.A N ASN 291.A OD1 no hydrogen 2.875 N/A LYS 295.A N ASN 291.A O no hydrogen 2.897 N/A GLU 296.A N GLU 292.A O no hydrogen 3.264 N/A GLN 297.A N LYS 293.A O no hydrogen 3.041 N/A PHE 298.A N GLU 294.A O no hydrogen 2.817 N/A LEU 299.A N LYS 295.A O no hydrogen 2.992 N/A HIS 300.A N GLU 296.A O no hydrogen 3.020 N/A SER 301.A N GLN 297.A O no hydrogen 2.980 N/A SER 301.A OG THR 180.A OG1 no hydrogen 2.761 N/A ALA 302.A N PHE 298.A O no hydrogen 2.853 N/A GLY 303.A N LEU 299.A O no hydrogen 2.917 N/A VAL 304.A N HIS 300.A O no hydrogen 2.867 N/A LEU 305.A N SER 301.A O no hydrogen 3.383 N/A LYS 306.A N ALA 302.A O no hydrogen 3.005 N/A LYS 306.A NZ ASP 267.A O no hydrogen 2.897 N/A LYS 306.A NZ ASP 268.A O no hydrogen 3.565 N/A ASN 307.A N GLY 303.A O no hydrogen 2.886 N/A ILE 308.A N LEU 305.A O no hydrogen 3.039 N/A LEU 309.A N LEU 305.A O no hydrogen 2.961 N/A LYS 310.A N LYS 306.A O no hydrogen 2.975 N/A HIS 312.A N LEU 309.A O no hydrogen 2.865 N/A HIS 312.A NE2 GLU 95.A OE1 no hydrogen 3.056 N/A PHE 313.A N LEU 309.A O no hydrogen 2.813 N/A