Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ae6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 5.A N SER 1.A O no hydrogen 3.016 N/A GLU 6.A N SER 2.A O no hydrogen 3.040 N/A PHE 7.A N ASP 3.A O no hydrogen 2.899 N/A LEU 8.A N VAL 4.A O no hydrogen 2.990 N/A ALA 9.A N LYS 5.A O no hydrogen 3.273 N/A ALA 9.A N GLU 6.A O no hydrogen 3.240 N/A LYS 10.A N GLU 6.A O no hydrogen 3.060 N/A LYS 10.A NZ GLU 13.A OE2 no hydrogen 2.999 N/A LYS 10.A NZ ASP 14.A OD1 no hydrogen 3.319 N/A ALA 11.A N PHE 7.A O no hydrogen 2.770 N/A LYS 12.A N LEU 8.A O no hydrogen 2.986 N/A GLU 13.A N ALA 9.A O no hydrogen 3.080 N/A ASP 14.A N LYS 10.A O no hydrogen 2.913 N/A PHE 15.A N ALA 11.A O no hydrogen 2.986 N/A LEU 16.A N LYS 12.A O no hydrogen 2.897 N/A LYS 17.A N GLU 13.A O no hydrogen 3.179 N/A TRP 19.A N PHE 15.A O no hydrogen 2.814 N/A GLU 20.A N LEU 16.A O no hydrogen 3.004 N/A SER 21.A N LYS 17.A O no hydrogen 3.127 N/A ALA 23.A N GLN 85.A OE1 no hydrogen 2.945 N/A GLN 24.A NE2 SER 317.A O no hydrogen 2.941 N/A GLN 24.A NE2 PHE 319.A OXT no hydrogen 2.521 N/A THR 26.A N SER 98.A O no hydrogen 2.874 N/A THR 26.A OG1 SER 98.A O no hydrogen 3.244 N/A ASP 30.A N HIS 28.A ND1 no hydrogen 3.056 N/A GLN 31.A N HIS 28.A O no hydrogen 2.942 N/A PHE 32.A N LEU 29.A O no hydrogen 2.942 N/A GLU 33.A N LYS 50.A O no hydrogen 2.740 N/A ILE 35.A N LEU 48.A O no hydrogen 2.844 N/A LEU 38.A N VAL 46.A O no hydrogen 2.756 N/A GLY 39.A N VAL 46.A O no hydrogen 3.326 N/A THR 40.A OG1 GLY 41.A O no hydrogen 3.030 N/A GLY 41.A N GLY 44.A O no hydrogen 2.789 N/A VAL 46.A N GLY 39.A O no hydrogen 2.881 N/A MET 47.A N MET 60.A O no hydrogen 2.958 N/A LEU 48.A N LYS 36.A O no hydrogen 2.793 N/A VAL 49.A N TYR 58.A O no hydrogen 3.007 N/A LYS 50.A N GLU 33.A O no hydrogen 2.786 N/A HIS 51.A N ASN 56.A O no hydrogen 3.021 N/A LYS 52.A N GLN 31.A O no hydrogen 3.073 N/A GLY 55.A N HIS 51.A O no hydrogen 3.095 N/A ASN 56.A N THR 54.A OG1 no hydrogen 3.132 N/A HIS 57.A ND1 GLY 55.A O no hydrogen 2.963 N/A TYR 58.A N VAL 49.A O no hydrogen 2.805 N/A ALA 59.A N MET 109.A O no hydrogen 2.962 N/A MET 60.A N MET 47.A O no hydrogen 2.759 N/A LYS 61.A N MET 107.A O no hydrogen 2.819 N/A ILE 62.A N ARG 45.A O no hydrogen 2.977 N/A LEU 63.A N LEU 105.A O no hydrogen 2.886 N/A ASP 64.A N PHE 43.A O no hydrogen 2.793 N/A LYS 65.A N SER 103.A O no hydrogen 2.907 N/A LYS 65.A NZ ASP 101.A O no hydrogen 2.689 N/A LYS 65.A NZ ASN 102.A O no hydrogen 3.089 N/A LYS 65.A NZ LYS 311.A O no hydrogen 2.972 N/A LYS 67.A N ASP 64.A OD1 no hydrogen 2.958 N/A LYS 67.A NZ SER 42.A O no hydrogen 2.925 N/A VAL 68.A N ASP 64.A O no hydrogen 2.884 N/A VAL 69.A N LYS 65.A O no hydrogen 3.044 N/A LYS 70.A N GLN 66.A O no hydrogen 3.118 N/A LEU 71.A N LYS 67.A O no hydrogen 2.932 N/A LYS 72.A N VAL 69.A O no hydrogen 3.266 N/A GLN 73.A N VAL 68.A O no hydrogen 2.908 N/A GLN 73.A NE2 LEU 71.A O no hydrogen 3.569 N/A HIS 76.A ND1 GLN 73.A OE1 no hydrogen 2.895 N/A THR 77.A N GLN 73.A O no hydrogen 2.961 N/A THR 77.A OG1 GLN 73.A O no hydrogen 2.759 N/A LEU 78.A N ILE 74.A O no hydrogen 3.014 N/A ASN 79.A N GLU 75.A O no hydrogen 2.908 N/A ASN 79.A ND2 ALA 177.A O no hydrogen 3.113 N/A GLU 80.A N HIS 76.A O no hydrogen 2.968 N/A LYS 81.A N THR 77.A O no hydrogen 3.187 N/A LYS 81.A NZ ALA 23.A O no hydrogen 2.930 N/A LYS 81.A NZ PHE 319.A O no hydrogen 2.651 N/A ARG 82.A N LEU 78.A O no hydrogen 3.011 N/A ARG 82.A NE TRP 19.A O no hydrogen 3.180 N/A ARG 82.A NH2 TRP 19.A O no hydrogen 3.142 N/A ILE 83.A N ASN 79.A O no hydrogen 3.012 N/A LEU 84.A N GLU 80.A O no hydrogen 3.001 N/A GLN 85.A N LYS 81.A O no hydrogen 3.072 N/A GLN 85.A NE2 LYS 18.A O no hydrogen 3.079 N/A GLN 85.A NE2 ARG 82.A O no hydrogen 2.947 N/A ALA 86.A N ILE 83.A O no hydrogen 2.928 N/A ASN 88.A N TYR 145.A OH no hydrogen 2.905 N/A LEU 92.A N PHE 89.A O no hydrogen 3.130 N/A VAL 93.A N VAL 171.A O no hydrogen 3.110 N/A LYS 94.A N GLU 110.A OE1 no hydrogen 3.071 N/A LYS 94.A NZ.A ASN 88.A OD1 no hydrogen 2.248 N/A GLU 96.A N VAL 108.A O no hydrogen 2.738 N/A PHE 97.A N VAL 108.A O no hydrogen 3.385 N/A SER 98.A N THR 26.A OG1 no hydrogen 3.178 N/A PHE 99.A N TYR 106.A O no hydrogen 3.337 N/A LYS 100.A N ASN 25.A OD1 no hydrogen 3.093 N/A LYS 100.A NZ PHE 316.A O no hydrogen 2.871 N/A LYS 100.A NZ PHE 319.A OXT no hydrogen 2.906 N/A ASP 101.A N ASN 104.A O no hydrogen 3.000 N/A SER 103.A N ASP 101.A OD1 no hydrogen 3.102 N/A ASN 104.A N ASP 101.A OD1 no hydrogen 2.889 N/A LEU 105.A N LEU 63.A O no hydrogen 2.923 N/A TYR 106.A N PHE 99.A O no hydrogen 2.950 N/A TYR 106.A OH ASP 101.A OD2 no hydrogen 2.324 N/A MET 107.A N LYS 61.A O no hydrogen 2.894 N/A VAL 108.A N PHE 97.A O no hydrogen 2.815 N/A MET 109.A N ALA 59.A O no hydrogen 2.965 N/A GLU 110.A N LYS 94.A O no hydrogen 2.884 N/A MET 117.A N LEU 161.A O no hydrogen 2.774 N/A SER 119.A OG GLU 116.A OE1 no hydrogen 3.563 N/A HIS 120.A N GLU 116.A O no hydrogen 3.307 N/A LEU 121.A N MET 117.A O no hydrogen 2.881 N/A ARG 122.A N PHE 118.A O no hydrogen 3.080 N/A ARG 123.A N SER 119.A O no hydrogen 2.818 N/A ILE 124.A N HIS 120.A O no hydrogen 2.917 N/A GLY 125.A N LEU 121.A O no hydrogen 2.791 N/A PHE 127.A N MET 219.A O no hydrogen 2.818 N/A HIS 131.A N SER 128.A OG no hydrogen 3.183 N/A ALA 132.A N SER 128.A O no hydrogen 2.939 N/A ARG 133.A N GLU 129.A O no hydrogen 2.756 N/A ARG 133.A NE TRP 284.A O no hydrogen 2.614 N/A ARG 133.A NH2 TRP 284.A O no hydrogen 3.062 N/A PHE 134.A N PRO 130.A O no hydrogen 3.131 N/A PHE 134.A N HIS 131.A O no hydrogen 3.175 N/A TYR 135.A N HIS 131.A O no hydrogen 3.252 N/A TYR 135.A OH HIS 131.A NE2 no hydrogen 3.193 N/A ALA 136.A N ALA 132.A O no hydrogen 2.885 N/A ALA 137.A N ARG 133.A O no hydrogen 2.890 N/A GLN 138.A NE2 PHE 134.A O no hydrogen 3.151 N/A ILE 139.A N TYR 135.A O no hydrogen 3.296 N/A VAL 140.A N ALA 136.A O no hydrogen 2.945 N/A LEU 141.A N ALA 137.A O no hydrogen 3.250 N/A THR 142.A N GLN 138.A O no hydrogen 2.884 N/A THR 142.A OG1 GLN 138.A O no hydrogen 2.583 N/A PHE 143.A N ILE 139.A O no hydrogen 2.842 N/A GLU 144.A N VAL 140.A O no hydrogen 2.836 N/A TYR 145.A N LEU 141.A O no hydrogen 3.015 N/A LEU 146.A N THR 142.A O no hydrogen 2.762 N/A HIS 147.A N PHE 143.A O no hydrogen 2.690 N/A HIS 147.A NE2 ASP 208.A OD2 no hydrogen 2.671 N/A SER 148.A N GLU 144.A O no hydrogen 3.113 N/A SER 148.A OG TYR 145.A O no hydrogen 2.771 N/A LEU 149.A N TYR 145.A O no hydrogen 3.388 N/A LEU 149.A N LEU 146.A O no hydrogen 3.061 N/A ASP 150.A N HIS 147.A O no hydrogen 2.766 N/A LEU 151.A N LEU 146.A O no hydrogen 2.863 N/A ILE 152.A N LYS 178.A O no hydrogen 2.810 N/A TYR 153.A N ASP 208.A OD2 no hydrogen 2.952 N/A TYR 153.A OH ASP 173.A O no hydrogen 3.159 N/A ARG 154.A N ASP 208.A OD1 no hydrogen 2.842 N/A ARG 154.A NE TYR 203.A OH no hydrogen 3.404 N/A ARG 154.A NH1 PHE 176.A O no hydrogen 3.114 N/A ARG 154.A NH2 TYR 203.A OH no hydrogen 2.937 N/A ASN 160.A N LYS 157.A O no hydrogen 2.953 N/A ASN 160.A ND2 ASP 155.A O no hydrogen 2.982 N/A ASN 160.A ND2 ASP 155.A OD2 no hydrogen 2.908 N/A LEU 161.A N PRO 158.A O no hydrogen 3.200 N/A LEU 162.A N GLN 170.A O no hydrogen 3.120 N/A ILE 163.A N GLY 115.A O no hydrogen 3.057 N/A ASP 164.A N TYR 168.A O no hydrogen 2.710 N/A GLN 166.A N ASP 164.A OD1 no hydrogen 2.850 N/A GLY 167.A N ASP 164.A O no hydrogen 2.851 N/A TYR 168.A N ASP 164.A OD1 no hydrogen 2.944 N/A TYR 168.A OH VAL 298.A O no hydrogen 2.601 N/A ILE 169.A N GLN 138.A OE1 no hydrogen 2.735 N/A GLN 170.A N LEU 162.A O no hydrogen 2.825 N/A GLN 170.A NE2 GLU 110.A OE2 no hydrogen 3.396 N/A VAL 171.A N PHE 91.A O no hydrogen 2.567 N/A THR 172.A N ASN 160.A O no hydrogen 2.777 N/A GLY 175.A N ASP 173.A OD1 no hydrogen 2.740 N/A ALA 177.A N PHE 174.A O no hydrogen 3.160 N/A LYS 178.A N ILE 152.A O no hydrogen 3.012 N/A LYS 178.A NZ THR 184.A OG1 no hydrogen 2.872 N/A ARG 179.A NE LEU 149.A O no hydrogen 3.028 N/A ARG 179.A NH2 LEU 149.A O no hydrogen 3.526 N/A VAL 180.A N ASP 150.A O no hydrogen 2.867 N/A LYS 181.A NZ ASP 150.A OD2 no hydrogen 2.579 N/A ARG 183.A NH1 LYS 201.A O no hydrogen 3.313 N/A ARG 183.A NH2 LYS 201.A O no hydrogen 3.336 N/A THR 184.A N TYR 203.A O no hydrogen 2.926 N/A GLU 191.A N GLU 191.A OE1 no hydrogen 2.589 N/A TYR 192.A N THR 189.A O no hydrogen 3.194 N/A TYR 192.A OH GLU 218.A OE1 no hydrogen 2.220 N/A LEU 193.A N PRO 190.A O no hydrogen 3.207 N/A GLU 196.A N GLU 196.A OE1 no hydrogen 2.853 N/A ILE 197.A N ALA 194.A O no hydrogen 2.981 N/A LEU 199.A N PRO 195.A O no hydrogen 3.180 N/A SER 200.A N ILE 197.A O no hydrogen 3.237 N/A TYR 203.A N THR 184.A O no hydrogen 2.924 N/A ALA 206.A N ASN 204.A OD1 no hydrogen 3.037 N/A VAL 207.A N ASN 204.A O no hydrogen 3.070 N/A ASP 208.A N LYS 205.A O no hydrogen 3.050 N/A TRP 209.A N ALA 206.A O no hydrogen 3.256 N/A TRP 210.A N ALA 206.A O no hydrogen 3.328 N/A ALA 211.A N VAL 207.A O no hydrogen 3.083 N/A LEU 212.A N ASP 208.A O no hydrogen 2.850 N/A GLY 213.A N TRP 209.A O no hydrogen 2.986 N/A VAL 214.A N TRP 210.A O no hydrogen 2.935 N/A LEU 215.A N ALA 211.A O no hydrogen 2.926 N/A ILE 216.A N LEU 212.A O no hydrogen 2.993 N/A TYR 217.A N GLY 213.A O no hydrogen 3.019 N/A TYR 217.A OH ARG 244.A O no hydrogen 2.560 N/A GLU 218.A N VAL 214.A O no hydrogen 2.753 N/A MET 219.A N LEU 215.A O no hydrogen 2.765 N/A ALA 220.A N ILE 216.A O no hydrogen 3.018 N/A ALA 221.A N TYR 217.A O no hydrogen 2.815 N/A GLY 222.A N GLU 218.A O no hydrogen 2.787 N/A GLN 230.A N GLN 233.A OE1 no hydrogen 3.190 N/A ILE 234.A N GLN 230.A O no hydrogen 3.179 N/A TYR 235.A N PRO 231.A O no hydrogen 2.833 N/A GLU 236.A N ILE 232.A O no hydrogen 2.904 N/A LYS 237.A N GLN 233.A O no hydrogen 2.836 N/A LYS 237.A NZ PHE 227.A O no hydrogen 2.871 N/A ILE 238.A N ILE 234.A O no hydrogen 3.014 N/A VAL 239.A N TYR 235.A O no hydrogen 3.170 N/A SER 240.A N GLU 236.A O no hydrogen 2.903 N/A GLY 241.A N LYS 237.A O no hydrogen 3.016 N/A PHE 249.A N PRO 246.A O no hydrogen 3.166 N/A SER 250.A N GLU 129.A OE2 no hydrogen 3.089 N/A SER 250.A OG GLU 129.A OE1 no hydrogen 2.738 N/A LEU 253.A N SER 250.A OG no hydrogen 3.140 N/A LYS 254.A N SER 250.A O no hydrogen 3.014 N/A ASP 255.A N SER 251.A O no hydrogen 3.037 N/A LEU 256.A N ASP 252.A O no hydrogen 2.869 N/A LEU 257.A N LEU 253.A O no hydrogen 2.833 N/A ARG 258.A N LYS 254.A O no hydrogen 2.932 N/A ASN 259.A N ASP 255.A O no hydrogen 3.174 N/A ASN 259.A N LEU 256.A O no hydrogen 2.714 N/A ASN 259.A ND2 ASP 255.A O no hydrogen 2.902 N/A LEU 260.A N LEU 256.A O no hydrogen 3.049 N/A LEU 260.A N LEU 257.A O no hydrogen 3.148 N/A LEU 261.A N LEU 257.A O no hydrogen 2.836 N/A ASP 264.A N GLN 262.A OE1 no hydrogen 2.959 N/A THR 266.A N ASP 264.A OD1 no hydrogen 2.813 N/A THR 266.A OG1 ASP 264.A OD1 no hydrogen 2.586 N/A THR 266.A OG1 ASP 264.A OD2 no hydrogen 3.011 N/A LYS 267.A N ASP 264.A O no hydrogen 2.975 N/A ARG 268.A N ASP 264.A O no hydrogen 2.871 N/A ARG 268.A NE GLN 262.A O no hydrogen 2.772 N/A ARG 268.A NH1 GLU 196.A OE2 no hydrogen 2.891 N/A ARG 268.A NH1 ALA 206.A O no hydrogen 2.961 N/A ARG 268.A NH2 GLU 196.A OE1 no hydrogen 2.877 N/A ARG 268.A NH2 GLU 196.A OE2 no hydrogen 3.309 N/A ARG 268.A NH2 GLN 262.A O no hydrogen 3.093 N/A PHE 269.A N ASN 259.A O no hydrogen 2.681 N/A ASN 271.A ND2.A LEU 265.A O no hydrogen 3.311 N/A GLY 275.A N LEU 272.A O no hydrogen 2.775 N/A ASN 277.A N ASN 274.A O no hydrogen 3.278 N/A ASN 277.A ND2 ASN 274.A O no hydrogen 3.247 N/A ILE 279.A N VAL 276.A O no hydrogen 2.749 N/A LYS 280.A N VAL 276.A O no hydrogen 2.747 N/A LYS 280.A NZ GLU 144.A OE1 no hydrogen 2.605 N/A ASN 281.A N ASN 277.A O no hydrogen 2.615 N/A HIS 282.A N ILE 279.A O no hydrogen 3.181 N/A HIS 282.A NE2 ASP 255.A OD2 no hydrogen 2.654 N/A TRP 284.A N HIS 282.A ND1 no hydrogen 3.110 N/A TRP 284.A NE1 GLU 129.A OE1 no hydrogen 3.060 N/A PHE 285.A N HIS 282.A O no hydrogen 2.963 N/A ALA 286.A N LYS 283.A O no hydrogen 3.083 N/A THR 288.A N PHE 285.A O no hydrogen 2.918 N/A ALA 292.A N ASP 289.A OD1 no hydrogen 3.323 N/A ILE 293.A N ASP 289.A O no hydrogen 2.968 N/A TYR 294.A N TRP 290.A O no hydrogen 3.147 N/A GLN 295.A N ILE 291.A O no hydrogen 3.087 N/A ARG 296.A N ILE 293.A O no hydrogen 2.845 N/A ARG 296.A NH2 ASP 164.A OD1 no hydrogen 3.524 N/A ARG 296.A NH2 ASP 164.A OD2 no hydrogen 2.614 N/A ARG 296.A NH2 GLN 166.A OE1 no hydrogen 2.888 N/A LYS 297.A N ALA 292.A O no hydrogen 2.891 N/A LYS 311.A N ASN 102.A O no hydrogen 2.945 N/A GLU 315.A N GLU 315.A OE1 no hydrogen 2.898 N/A PHE 316.A N CYS 312.A O no hydrogen 3.260 N/A SER 317.A N LYS 314.A O no hydrogen 3.399 N/A PHE 319.A N PHE 316.A O no hydrogen 2.984 N/A