Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pqf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 1.A ND2 ASP 72.A O no hydrogen 3.180 N/A ASN 5.A N ASP 30.A OD2 no hydrogen 2.610 N/A LYS 6.A N ASP 74.A OD1 no hydrogen 2.780 N/A LYS 6.A NZ ASP 69.A O no hydrogen 3.107 N/A LYS 6.A NZ ASP 72.A OD1 no hydrogen 3.397 N/A LYS 6.A NZ ASP 72.A OD2 no hydrogen 2.719 N/A VAL 7.A N GLU 31.A O no hydrogen 2.918 N/A ALA 8.A N ILE 75.A O no hydrogen 2.852 N/A LEU 9.A N VAL 33.A O no hydrogen 2.743 N/A ILE 10.A N CYS 77.A O no hydrogen 2.870 N/A GLY 11.A N ILE 35.A O no hydrogen 2.949 N/A ALA 12.A N ASP 36.A OD2 no hydrogen 2.599 N/A SER 17.A N GLY 13.A O no hydrogen 2.913 N/A SER 17.A OG ALA 12.A O no hydrogen 3.531 N/A SER 17.A OG GLY 13.A O no hydrogen 3.361 N/A SER 17.A OG ASP 45.A OD2 no hydrogen 3.106 N/A SER 18.A N PHE 14.A O no hydrogen 3.114 N/A SER 18.A OG PHE 14.A O no hydrogen 2.778 N/A TYR 19.A N VAL 15.A O no hydrogen 2.803 N/A TYR 19.A OH THR 243.A OG1 no hydrogen 2.628 N/A ALA 20.A N GLY 16.A O no hydrogen 2.893 N/A PHE 21.A N SER 17.A O no hydrogen 2.872 N/A ALA 22.A N SER 18.A O no hydrogen 2.870 N/A LEU 23.A N TYR 19.A O no hydrogen 2.951 N/A ILE 24.A N ALA 20.A O no hydrogen 3.014 N/A ASN 25.A N PHE 21.A O no hydrogen 2.853 N/A ASN 25.A ND2 PHE 21.A O no hydrogen 2.815 N/A GLN 26.A N ALA 22.A O no hydrogen 2.927 N/A GLY 27.A N ILE 24.A O no hydrogen 3.320 N/A ILE 28.A N LEU 23.A O no hydrogen 3.127 N/A THR 29.A OG1 ASN 5.A O no hydrogen 3.230 N/A THR 29.A OG1 GLU 31.A O no hydrogen 3.085 N/A ASP 30.A N ASN 5.A O no hydrogen 3.208 N/A GLU 31.A N ASN 5.A O no hydrogen 2.955 N/A LEU 32.A N LYS 61.A O no hydrogen 2.902 N/A VAL 33.A N VAL 7.A O no hydrogen 2.850 N/A VAL 34.A N SER 63.A O no hydrogen 2.729 N/A ILE 35.A N LEU 9.A O no hydrogen 2.852 N/A ASN 38.A N ASP 36.A OD1 no hydrogen 2.995 N/A LYS 41.A NZ ASP 45.A OD2 no hydrogen 2.632 N/A ALA 42.A N ASN 38.A O no hydrogen 3.158 N/A MET 43.A N LYS 39.A O no hydrogen 2.808 N/A GLY 44.A N GLU 40.A O no hydrogen 2.989 N/A ASP 45.A N LYS 41.A O no hydrogen 2.922 N/A VAL 46.A N ALA 42.A O no hydrogen 2.955 N/A MET 47.A N MET 43.A O no hydrogen 2.919 N/A ASP 48.A N GLY 44.A O no hydrogen 2.882 N/A LEU 49.A N ASP 45.A O no hydrogen 2.817 N/A ASN 50.A N VAL 46.A O no hydrogen 2.969 N/A HIS 51.A N MET 47.A O no hydrogen 2.949 N/A LYS 53.A N ASN 50.A O no hydrogen 3.026 N/A LYS 53.A NZ VAL 60.A O no hydrogen 3.271 N/A PHE 55.A N GLY 52.A O no hydrogen 3.099 N/A ALA 56.A N LYS 53.A O no hydrogen 3.087 N/A LYS 61.A N ASP 30.A O no hydrogen 3.052 N/A SER 63.A N LEU 32.A O no hydrogen 3.012 N/A TYR 64.A OH ASP 36.A O no hydrogen 2.577 N/A GLY 65.A N VAL 34.A O no hydrogen 3.001 N/A THR 66.A N ASP 69.A OD2 no hydrogen 2.753 N/A TYR 67.A N THR 66.A OG1 no hydrogen 2.649 N/A ASP 69.A N THR 66.A O no hydrogen 2.864 N/A CYS 70.A N TYR 67.A O no hydrogen 2.835 N/A LYS 71.A N GLU 68.A O no hydrogen 3.362 N/A ALA 73.A N CYS 70.A O no hydrogen 3.015 N/A ASP 74.A N LYS 6.A O no hydrogen 2.941 N/A ILE 75.A N LYS 6.A O no hydrogen 3.441 N/A VAL 76.A N ILE 116.A O no hydrogen 2.895 N/A CYS 77.A N ALA 8.A O no hydrogen 2.816 N/A CYS 77.A SG LEU 118.A O no hydrogen 3.799 N/A ILE 78.A N LEU 118.A O no hydrogen 2.895 N/A CYS 79.A N ILE 10.A O no hydrogen 2.841 N/A ALA 82.A N ASN 97.A OD1 no hydrogen 2.750 N/A GLN 84.A NE2 THR 89.A O no hydrogen 3.614 N/A LYS 85.A N GLU 88.A OE1 no hydrogen 3.310 N/A GLU 88.A N LYS 85.A O no hydrogen 3.117 N/A THR 89.A N GLU 92.A OE2 no hydrogen 3.225 N/A ARG 90.A NH1 GLU 176.A OE2 no hydrogen 2.963 N/A ARG 90.A NH2 GLU 176.A OE2 no hydrogen 2.801 N/A GLU 92.A N THR 89.A OG1 no hydrogen 3.212 N/A LEU 93.A N THR 89.A O no hydrogen 3.011 N/A VAL 94.A N ARG 90.A O no hydrogen 2.790 N/A GLU 95.A N LEU 91.A O no hydrogen 3.059 N/A LYS 96.A N GLU 92.A O no hydrogen 3.496 N/A LYS 96.A NZ GLU 88.A OE1 no hydrogen 2.981 N/A LYS 96.A NZ GLU 88.A OE2 no hydrogen 2.704 N/A ASN 97.A N LEU 93.A O no hydrogen 2.988 N/A ASN 97.A ND2 ALA 82.A O no hydrogen 3.682 N/A ASN 97.A ND2 ASN 122.A O no hydrogen 2.872 N/A LEU 98.A N VAL 94.A O no hydrogen 2.694 N/A LYS 99.A N GLU 95.A O no hydrogen 3.439 N/A ILE 100.A N LYS 96.A O no hydrogen 3.224 N/A PHE 101.A N ASN 97.A O no hydrogen 2.861 N/A LYS 102.A N LEU 98.A O no hydrogen 2.912 N/A GLY 103.A N LYS 99.A O no hydrogen 3.398 N/A ILE 104.A N ILE 100.A O no hydrogen 3.093 N/A VAL 105.A N PHE 101.A O no hydrogen 2.804 N/A SER 106.A N LYS 102.A O no hydrogen 3.156 N/A GLU 107.A N GLY 103.A O no hydrogen 3.095 N/A VAL 108.A N ILE 104.A O no hydrogen 2.980 N/A MET 109.A N VAL 105.A O no hydrogen 2.918 N/A ALA 110.A N SER 106.A O no hydrogen 3.133 N/A SER 111.A N VAL 108.A O no hydrogen 3.196 N/A SER 111.A OG VAL 108.A O no hydrogen 2.694 N/A GLY 112.A N MET 109.A O no hydrogen 3.295 N/A PHE 113.A N SER 111.A OG no hydrogen 3.325 N/A ILE 116.A N ASP 74.A O no hydrogen 2.857 N/A PHE 117.A N ARG 141.A O no hydrogen 2.885 N/A LEU 118.A N VAL 76.A O no hydrogen 2.795 N/A VAL 119.A N ILE 143.A O no hydrogen 2.814 N/A ALA 120.A N ILE 78.A O no hydrogen 2.919 N/A THR 121.A OG1 ILE 78.A O no hydrogen 3.394 N/A THR 121.A OG1 ALA 80.A O no hydrogen 2.686 N/A LEU 127.A N PRO 123.A O no hydrogen 2.997 N/A THR 128.A N VAL 124.A O no hydrogen 2.782 N/A THR 128.A OG1 VAL 124.A O no hydrogen 2.547 N/A TYR 129.A N ASP 125.A O no hydrogen 3.172 N/A TYR 129.A OH ASP 268.A OD1 no hydrogen 3.146 N/A TYR 129.A OH ASP 268.A OD2 no hydrogen 3.260 N/A ALA 130.A N ILE 126.A O no hydrogen 3.055 N/A THR 131.A N LEU 127.A O no hydrogen 2.988 N/A THR 131.A OG1 LEU 127.A O no hydrogen 2.650 N/A TRP 132.A N THR 128.A O no hydrogen 3.132 N/A LYS 133.A N TYR 129.A O no hydrogen 3.047 N/A PHE 134.A N ALA 130.A O no hydrogen 2.797 N/A SER 135.A N THR 131.A O no hydrogen 2.969 N/A SER 135.A OG THR 131.A O no hydrogen 2.878 N/A SER 135.A OG TRP 132.A O no hydrogen 3.289 N/A GLY 136.A N TRP 132.A O no hydrogen 3.171 N/A LEU 137.A N SER 135.A OG no hydrogen 3.023 N/A LYS 139.A NZ GLU 140.A OE2 no hydrogen 2.754 N/A ARG 141.A N PRO 138.A O no hydrogen 2.969 N/A ARG 141.A NE GLY 115.A O no hydrogen 3.309 N/A ARG 141.A NH2 ASP 114.A OD1 no hydrogen 2.984 N/A ARG 141.A NH2 GLY 115.A O no hydrogen 3.247 N/A ILE 143.A N PHE 117.A O no hydrogen 2.887 N/A GLY 144.A N SER 257.A O no hydrogen 3.494 N/A SER 145.A N VAL 119.A O no hydrogen 3.211 N/A THR 147.A N THR 255.A O no hydrogen 2.987 N/A THR 147.A OG1 ILE 173.A O no hydrogen 2.702 N/A THR 147.A OG1 THR 255.A O no hydrogen 3.422 N/A THR 147.A OG1 THR 255.A OG1 no hydrogen 2.823 N/A THR 148.A N SER 145.A O no hydrogen 3.191 N/A THR 148.A OG1 SER 145.A O no hydrogen 3.056 N/A SER 151.A N THR 147.A O no hydrogen 2.795 N/A SER 151.A OG ILE 173.A O no hydrogen 3.476 N/A SER 151.A OG THR 255.A OG1 no hydrogen 3.391 N/A ALA 152.A N THR 148.A O no hydrogen 2.991 N/A ARG 153.A N LEU 149.A O no hydrogen 2.961 N/A PHE 154.A N ASP 150.A O no hydrogen 2.804 N/A ARG 155.A N SER 151.A O no hydrogen 2.833 N/A ARG 155.A NE VAL 169.A O no hydrogen 3.269 N/A PHE 156.A N ALA 152.A O no hydrogen 2.953 N/A MET 157.A N ARG 153.A O no hydrogen 2.854 N/A LEU 158.A N PHE 154.A O no hydrogen 3.174 N/A SER 159.A N ARG 155.A O no hydrogen 3.184 N/A SER 159.A OG ALA 164.A O no hydrogen 2.482 N/A GLU 160.A N PHE 156.A O no hydrogen 2.950 N/A TYR 161.A N MET 157.A O no hydrogen 3.085 N/A TYR 161.A OH GLU 209.A OE2 no hydrogen 2.807 N/A PHE 162.A N LEU 158.A O no hydrogen 2.903 N/A GLY 163.A N SER 159.A O no hydrogen 3.121 N/A GLN 167.A N GLN 167.A OE1 no hydrogen 3.029 N/A ASN 168.A N ALA 165.A O no hydrogen 2.893 N/A VAL 169.A N PRO 166.A O no hydrogen 2.905 N/A CYS 170.A N ASN 189.A O no hydrogen 3.074 N/A CYS 170.A SG HIS 172.A NE2 no hydrogen 4.025 N/A ILE 173.A N SER 151.A OG no hydrogen 2.784 N/A ILE 174.A N LEU 182.A O no hydrogen 2.862 N/A GLY 175.A N GLY 272.A O no hydrogen 2.778 N/A GLU 176.A N SER 301.A OG no hydrogen 2.730 N/A HIS 177.A N ASP 125.A OD2 no hydrogen 2.957 N/A THR 180.A N GLU 176.A OE1 no hydrogen 3.102 N/A THR 180.A OG1 GLU 176.A OE1 no hydrogen 2.503 N/A THR 180.A OG1 SER 301.A OG no hydrogen 2.853 N/A GLU 181.A N GLY 178.A O no hydrogen 3.273 N/A LEU 182.A N ILE 174.A O no hydrogen 2.885 N/A VAL 184.A N HIS 172.A O no hydrogen 3.003 N/A SER 186.A N GLU 294.A OE2 no hydrogen 2.928 N/A SER 186.A OG HIS 187.A ND1 no hydrogen 2.719 N/A SER 186.A OG GLU 294.A OE1 no hydrogen 2.936 N/A SER 186.A OG GLU 294.A OE2 no hydrogen 3.366 N/A HIS 187.A N VAL 184.A O no hydrogen 3.044 N/A HIS 187.A ND1 SER 186.A OG no hydrogen 2.719 N/A ALA 188.A N TRP 185.A O no hydrogen 3.068 N/A ASN 189.A N CYS 170.A O no hydrogen 3.045 N/A ASN 189.A ND2 HIS 187.A O no hydrogen 3.318 N/A VAL 190.A N VAL 193.A O no hydrogen 2.838 N/A GLY 191.A N ASN 168.A O no hydrogen 2.942 N/A VAL 193.A N VAL 190.A O no hydrogen 2.640 N/A VAL 195.A N ALA 188.A O no hydrogen 2.767 N/A LEU 198.A N PRO 194.A O no hydrogen 3.226 N/A VAL 199.A N VAL 195.A O no hydrogen 2.996 N/A GLU 200.A N SER 196.A O no hydrogen 3.091 N/A LYS 201.A N GLU 197.A O no hydrogen 3.032 N/A LYS 201.A NZ GLU 200.A OE1 no hydrogen 3.430 N/A LEU 210.A N GLN 207.A O no hydrogen 2.725 N/A ASP 211.A N GLN 207.A O no hydrogen 2.576 N/A GLN 212.A N GLU 208.A O no hydrogen 3.107 N/A VAL 214.A N LEU 210.A O no hydrogen 3.207 N/A ASP 216.A N GLN 212.A O no hydrogen 2.799 N/A VAL 217.A N ILE 213.A O no hydrogen 3.088 N/A LYS 218.A N VAL 214.A O no hydrogen 3.144 N/A LYS 218.A NZ ASP 179.A O no hydrogen 2.662 N/A LYS 218.A NZ GLU 181.A O no hydrogen 3.381 N/A ASN 219.A ND2 ASP 215.A OD1 no hydrogen 3.368 N/A HIS 223.A N ASN 219.A O no hydrogen 3.106 N/A ILE 224.A N ALA 220.A O no hydrogen 3.076 N/A ILE 225.A N ALA 221.A O no hydrogen 2.863 N/A GLU 226.A N TYR 222.A O no hydrogen 2.964 N/A LYS 227.A N HIS 223.A O no hydrogen 3.287 N/A LYS 227.A N ILE 224.A O no hydrogen 3.118 N/A LYS 228.A N ILE 224.A O no hydrogen 2.937 N/A LYS 228.A NZ TYR 232.A OH no hydrogen 3.024 N/A GLY 229.A N ILE 225.A O no hydrogen 2.912 N/A ALA 236.A N TYR 232.A O no hydrogen 3.088 N/A MET 237.A N TYR 233.A O no hydrogen 3.114 N/A SER 238.A N GLY 234.A O no hydrogen 2.966 N/A SER 238.A OG VAL 235.A O no hydrogen 2.938 N/A LEU 239.A N VAL 235.A O no hydrogen 2.974 N/A ALA 240.A N ALA 236.A O no hydrogen 2.917 N/A ARG 241.A N MET 237.A O no hydrogen 2.927 N/A ARG 241.A NH1 ARG 241.A O no hydrogen 3.090 N/A ARG 241.A NH1 GLU 250.A OE2 no hydrogen 2.879 N/A ARG 241.A NH2 GLU 250.A OE2 no hydrogen 3.410 N/A ARG 241.A NH2 SER 252.A OG no hydrogen 3.033 N/A ILE 242.A N SER 238.A O no hydrogen 3.007 N/A THR 243.A N LEU 239.A O no hydrogen 2.876 N/A THR 243.A OG1 TYR 19.A OH no hydrogen 2.628 N/A THR 243.A OG1 LEU 239.A O no hydrogen 2.796 N/A LYS 244.A N ALA 240.A O no hydrogen 2.908 N/A ALA 245.A N ARG 241.A O no hydrogen 3.133 N/A ILE 246.A N ILE 242.A O no hydrogen 3.160 N/A LEU 247.A N THR 243.A O no hydrogen 2.811 N/A HIS 248.A N LYS 244.A O no hydrogen 2.979 N/A ASN 249.A N ILE 246.A O no hydrogen 3.180 N/A GLU 250.A N ALA 245.A O no hydrogen 3.168 N/A SER 252.A OG GLU 250.A OE2 no hydrogen 2.750 N/A LEU 254.A N ALA 275.A O no hydrogen 2.972 N/A THR 255.A OG1 THR 147.A OG1 no hydrogen 2.823 N/A SER 257.A N GLY 144.A O no hydrogen 2.927 N/A SER 257.A OG ASP 125.A OD1 no hydrogen 2.604 N/A THR 258.A N ILE 271.A O no hydrogen 2.910 N/A THR 258.A OG1 VAL 256.A O no hydrogen 3.051 N/A TYR 259.A OH ASP 268.A OD1 no hydrogen 2.841 N/A LEU 260.A N VAL 269.A O no hydrogen 2.927 N/A ASP 261.A N GLN 263.A OE1 no hydrogen 2.538 N/A GLY 262.A N ALA 266.A O no hydrogen 2.695 N/A GLN 263.A N GLN 263.A OE1 no hydrogen 2.736 N/A TYR 264.A N GLU 287.A OE2 no hydrogen 3.314 N/A TYR 264.A OH THR 286.A O no hydrogen 2.630 N/A GLY 265.A N GLY 262.A O no hydrogen 2.998 N/A ALA 266.A N GLN 263.A O no hydrogen 3.065 N/A ASP 268.A N LEU 260.A O no hydrogen 3.021 N/A TYR 270.A OH LYS 139.A O no hydrogen 3.007 N/A ILE 271.A N THR 258.A O no hydrogen 3.055 N/A GLY 272.A N GLY 175.A O no hydrogen 3.113 N/A VAL 273.A N VAL 256.A O no hydrogen 3.436 N/A ALA 275.A N LEU 254.A O no hydrogen 2.981 N/A VAL 276.A N GLY 284.A O no hydrogen 2.815 N/A VAL 277.A N SER 252.A O no hydrogen 2.747 N/A ASN 278.A N GLY 281.A O no hydrogen 2.839 N/A ASN 278.A ND2 ASN 251.A OD1 no hydrogen 2.892 N/A ARG 279.A NH1 LEU 247.A O no hydrogen 2.670 N/A GLY 280.A N ASN 278.A OD1 no hydrogen 2.953 N/A GLY 281.A N ASN 278.A O no hydrogen 2.900 N/A ILE 282.A N GLU 140.A O no hydrogen 2.940 N/A ALA 283.A N VAL 276.A O no hydrogen 2.868 N/A THR 286.A N PRO 274.A O no hydrogen 3.005 N/A LEU 288.A N TYR 264.A OH no hydrogen 3.084 N/A ASN 291.A N GLU 294.A OE1 no hydrogen 2.979 N/A GLU 294.A N ASN 291.A OD1 no hydrogen 3.036 N/A LYS 295.A N ASN 291.A O no hydrogen 3.028 N/A GLU 296.A N GLU 292.A O no hydrogen 3.291 N/A GLU 296.A N LYS 293.A O no hydrogen 3.224 N/A GLN 297.A N LYS 293.A O no hydrogen 3.088 N/A PHE 298.A N GLU 294.A O no hydrogen 2.859 N/A LEU 299.A N LYS 295.A O no hydrogen 3.218 N/A HIS 300.A N GLU 296.A O no hydrogen 3.060 N/A SER 301.A N GLN 297.A O no hydrogen 2.950 N/A SER 301.A OG THR 180.A O no hydrogen 3.544 N/A SER 301.A OG THR 180.A OG1 no hydrogen 2.853 N/A ALA 302.A N PHE 298.A O no hydrogen 2.830 N/A GLY 303.A N LEU 299.A O no hydrogen 2.854 N/A VAL 304.A N HIS 300.A O no hydrogen 2.947 N/A LYS 306.A N ALA 302.A O no hydrogen 3.053 N/A LYS 306.A NZ ASP 267.A O no hydrogen 2.688 N/A LYS 306.A NZ ASP 268.A O no hydrogen 3.142 N/A ASN 307.A N GLY 303.A O no hydrogen 2.934 N/A ILE 308.A N VAL 304.A O no hydrogen 3.440 N/A LEU 309.A N LEU 305.A O no hydrogen 2.931 N/A LYS 310.A N LYS 306.A O no hydrogen 2.876 N/A HIS 312.A N LEU 309.A O no hydrogen 2.851 N/A PHE 313.A N LEU 309.A O no hydrogen 2.746 N/A