Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ypx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 6.A N ASP 9.A OD2 no hydrogen 2.828 N/A ASP 9.A N LEU 286.A O no hydrogen 3.264 N/A HIS 10.A N ASP 9.A OD1 no hydrogen 2.784 N/A HIS 10.A NE2 SER 59.A O no hydrogen 3.122 N/A SER 13.A OG PHE 292.A O no hydrogen 3.172 N/A ILE 14.A N GLY 63.A O no hydrogen 3.272 N/A THR 17.A OG1 GLU 44.A OE1 no hydrogen 2.522 N/A LYS 18.A NZ ASP 22.A OD2 no hydrogen 3.407 N/A LYS 21.A N THR 17.A O no hydrogen 2.849 N/A ASP 22.A N LYS 18.A O no hydrogen 2.739 N/A ALA 23.A N GLY 19.A O no hydrogen 3.115 N/A ARG 24.A N ILE 20.A O no hydrogen 3.067 N/A GLU 25.A N ASP 22.A O no hydrogen 3.048 N/A LYS 26.A N ASP 22.A O no hydrogen 3.142 N/A PHE 27.A N ALA 23.A O no hydrogen 3.058 N/A SER 29.A N GLU 25.A O no hydrogen 3.004 N/A GLY 30.A N LYS 26.A O no hydrogen 2.793 N/A GLY 30.A N PHE 27.A O no hydrogen 2.916 N/A GLU 31.A N LYS 26.A O no hydrogen 2.882 N/A ILE 32.A N LYS 26.A O no hydrogen 3.317 N/A GLU 36.A N THR 33.A O no hydrogen 2.742 N/A LEU 37.A N THR 33.A O no hydrogen 2.686 N/A ARG 38.A NH1 ASP 100.A OD1 no hydrogen 2.598 N/A ARG 38.A NH2 ASP 100.A OD1 no hydrogen 2.870 N/A LYS 39.A N GLU 36.A O no hydrogen 3.270 N/A GLU 41.A N LEU 37.A O no hydrogen 3.231 N/A ASN 42.A N ARG 38.A O no hydrogen 2.794 N/A THR 43.A N LYS 39.A O no hydrogen 2.934 N/A THR 43.A OG1 LYS 39.A O no hydrogen 3.258 N/A GLU 44.A N ILE 40.A O no hydrogen 2.684 N/A ILE 45.A N GLU 41.A O no hydrogen 2.700 N/A LYS 46.A N ASN 42.A O no hydrogen 3.138 N/A TYR 47.A N THR 43.A O no hydrogen 2.987 N/A ILE 48.A N GLU 44.A O no hydrogen 3.036 N/A VAL 49.A N ILE 45.A O no hydrogen 2.811 N/A GLU 50.A N LYS 46.A O no hydrogen 3.267 N/A LYS 51.A N TYR 47.A O no hydrogen 3.358 N/A LYS 51.A NZ GLU 54.A OE2 no hydrogen 3.071 N/A GLN 52.A N ILE 48.A O no hydrogen 3.106 N/A GLN 52.A NE2 ILE 48.A O no hydrogen 3.498 N/A GLN 52.A NE2 THR 61.A O no hydrogen 2.866 N/A LYS 53.A N VAL 49.A O no hydrogen 3.381 N/A LYS 53.A NZ ALA 107.A O no hydrogen 3.310 N/A LYS 53.A NZ VAL 108.A O no hydrogen 3.394 N/A GLU 54.A N GLU 50.A O no hydrogen 2.732 N/A VAL 55.A N LYS 51.A O no hydrogen 3.083 N/A GLY 56.A N LYS 53.A O no hydrogen 3.119 N/A SER 59.A OG ASP 9.A OD1 no hydrogen 2.806 N/A ILE 60.A N VAL 113.A O no hydrogen 2.933 N/A THR 61.A N GLN 52.A OE1 no hydrogen 2.954 N/A THR 61.A OG1 GLY 12.A O no hydrogen 2.616 N/A GLY 63.A N THR 61.A OG1 no hydrogen 3.151 N/A GLU 64.A N ASP 62.A OD1 no hydrogen 2.733 N/A PHE 65.A N ASP 62.A O no hydrogen 3.105 N/A ARG 66.A NH2 GLU 41.A OE1 no hydrogen 2.960 N/A ARG 67.A N GLU 64.A O no hydrogen 2.802 N/A LEU 73.A N HIS 69.A O no hydrogen 2.961 N/A GLU 74.A N PHE 70.A O no hydrogen 2.808 N/A ASN 75.A N PHE 72.A O no hydrogen 3.390 N/A LEU 76.A N LEU 73.A O no hydrogen 2.779 N/A ASP 77.A N ASP 91.A O no hydrogen 2.854 N/A VAL 79.A N LEU 76.A O no hydrogen 3.096 N/A GLU 80.A N LYS 85.A O no hydrogen 3.055 N/A GLY 81.A N GLU 80.A OE1 no hydrogen 3.013 N/A TYR 82.A N SER 83.A O no hydrogen 3.307 N/A LYS 85.A N GLU 80.A O no hydrogen 3.082 N/A LYS 85.A NZ TYR 82.A O no hydrogen 3.379 N/A ILE 86.A N ASP 128.A O no hydrogen 3.112 N/A THR 87.A N GLY 78.A O no hydrogen 2.901 N/A GLY 88.A N GLY 78.A O no hydrogen 3.145 N/A ILE 90.A N TYR 134.A OH no hydrogen 2.617 N/A ASP 91.A N ASP 77.A O no hydrogen 3.086 N/A HIS 95.A NE2 PHE 72.A O no hydrogen 2.465 N/A PHE 97.A N HIS 95.A ND1 no hydrogen 3.126 N/A ILE 98.A N HIS 95.A O no hydrogen 3.399 N/A ASP 100.A N PRO 96.A O no hydrogen 3.373 N/A PHE 101.A N PHE 97.A O no hydrogen 3.100 N/A ILE 102.A N ILE 98.A O no hydrogen 3.169 N/A PHE 103.A N GLU 99.A O no hydrogen 2.847 N/A LEU 104.A N ASP 100.A O no hydrogen 3.136 N/A LYS 105.A N PHE 101.A O no hydrogen 2.618 N/A LYS 105.A NZ GLY 160.A O no hydrogen 2.822 N/A GLU 106.A N ILE 102.A O no hydrogen 2.957 N/A ALA 107.A N PHE 103.A O no hydrogen 3.237 N/A VAL 108.A N LEU 104.A O no hydrogen 3.015 N/A GLY 109.A N LYS 105.A O no hydrogen 3.438 N/A VAL 113.A N LYS 58.A O no hydrogen 3.113 N/A LYS 115.A N ILE 60.A O no hydrogen 2.784 N/A LYS 115.A NZ HIS 10.A O no hydrogen 2.608 N/A LYS 115.A NZ VAL 11.A O no hydrogen 3.437 N/A LYS 115.A NZ TYR 163.A OH no hydrogen 3.119 N/A LYS 115.A NZ GLN 165.A OE1 no hydrogen 3.042 N/A GLN 116.A N TYR 163.A O no hydrogen 2.989 N/A GLN 116.A NE2 THR 117.A O no hydrogen 2.874 N/A THR 117.A OG1 GLU 64.A OE2 no hydrogen 3.022 N/A ILE 118.A N GLN 165.A O no hydrogen 2.924 N/A SER 120.A N ASP 167.A O no hydrogen 3.050 N/A SER 120.A OG ASP 168.A OD1 no hydrogen 2.750 N/A TYR 125.A N ALA 122.A O no hydrogen 3.434 N/A ASP 128.A N VAL 84.A O no hydrogen 3.064 N/A GLU 130.A N ILE 86.A O no hydrogen 2.794 N/A TYR 131.A N ILE 86.A O no hydrogen 2.963 N/A TYR 134.A OH ASP 144.A OD1 no hydrogen 2.549 N/A ASP 136.A N PRO 133.A O no hydrogen 2.620 N/A ASP 137.A N PRO 133.A O no hydrogen 2.704 N/A LYS 140.A N ASP 137.A OD2 no hydrogen 3.215 N/A ALA 142.A N ALA 138.A O no hydrogen 3.013 N/A ASN 143.A N GLU 139.A O no hydrogen 2.907 N/A ASP 144.A N LYS 140.A O no hydrogen 3.245 N/A LEU 145.A N PHE 141.A O no hydrogen 3.145 N/A ALA 146.A N ALA 142.A O no hydrogen 3.047 N/A THR 147.A N ASN 143.A O no hydrogen 3.077 N/A ALA 148.A N ASP 144.A O no hydrogen 2.721 N/A TYR 149.A N LEU 145.A O no hydrogen 3.013 N/A TYR 149.A OH PRO 119.A O no hydrogen 2.633 N/A GLN 150.A N ALA 146.A O no hydrogen 2.717 N/A LYS 151.A N THR 147.A O no hydrogen 2.849 N/A LYS 151.A NZ ASP 91.A OD1 no hydrogen 3.029 N/A ALA 152.A N ALA 148.A O no hydrogen 2.939 N/A ILE 153.A N TYR 149.A O no hydrogen 2.793 N/A GLN 154.A N GLN 150.A O no hydrogen 2.993 N/A GLN 154.A NE2 ASP 158.A OD2 no hydrogen 3.037 N/A ALA 155.A N LYS 151.A O no hydrogen 2.946 N/A PHE 156.A N ALA 152.A O no hydrogen 3.028 N/A TYR 157.A N ILE 153.A O no hydrogen 2.740 N/A TYR 157.A OH ASP 203.A OD1 no hydrogen 3.021 N/A TYR 157.A OH ASP 203.A OD2 no hydrogen 2.993 N/A ASP 158.A N GLN 154.A O no hydrogen 2.791 N/A ALA 159.A N ALA 155.A O no hydrogen 3.117 N/A GLY 160.A N TYR 157.A O no hydrogen 2.511 N/A CYS 161.A N PHE 156.A O no hydrogen 2.922 N/A CYS 161.A SG TYR 163.A O no hydrogen 3.436 N/A ARG 162.A NH1 TYR 157.A O no hydrogen 3.063 N/A ARG 162.A NH1 CYS 161.A O no hydrogen 3.547 N/A TYR 163.A OH ASP 9.A OD1 no hydrogen 3.256 N/A TYR 163.A OH ASP 9.A OD2 no hydrogen 2.791 N/A LEU 164.A N VAL 204.A O no hydrogen 2.875 N/A GLN 165.A N GLN 116.A O no hydrogen 2.795 N/A GLN 165.A NE2 ASP 167.A OD1 no hydrogen 3.418 N/A LEU 166.A N THR 206.A O no hydrogen 2.848 N/A ASP 167.A N ILE 118.A O no hydrogen 2.923 N/A ASP 168.A N HIS 207.A O no hydrogen 2.787 N/A SER 170.A N ASP 168.A OD2 no hydrogen 3.033 N/A SER 170.A OG ASP 168.A OD2 no hydrogen 2.674 N/A TRP 171.A NE1 ASP 168.A OD1 no hydrogen 2.769 N/A SER 172.A OG THR 169.A O no hydrogen 2.877 N/A TYR 173.A N SER 170.A O no hydrogen 3.237 N/A CYS 175.A SG TRP 171.A O no hydrogen 3.045 N/A GLU 187.A N THR 184.A O no hydrogen 3.193 N/A THR 188.A N THR 184.A O no hydrogen 3.146 N/A THR 188.A OG1 LEU 185.A O no hydrogen 2.885 N/A TYR 189.A N LEU 185.A O no hydrogen 2.719 N/A LYS 190.A N GLN 186.A O no hydrogen 2.981 N/A LYS 190.A NZ GLU 187.A OE1 no hydrogen 3.037 N/A ASN 191.A N GLU 187.A O no hydrogen 2.930 N/A ASN 191.A ND2 GLU 187.A O no hydrogen 2.582 N/A LEU 192.A N THR 188.A O no hydrogen 2.823 N/A ILE 193.A N TYR 189.A O no hydrogen 2.722 N/A ASN 194.A N LYS 190.A O no hydrogen 3.059 N/A ASN 194.A ND2 LYS 223.A O no hydrogen 3.346 N/A GLU 195.A N ASN 191.A O no hydrogen 3.056 N/A ALA 196.A N LEU 192.A O no hydrogen 2.863 N/A ILE 197.A N ILE 193.A O no hydrogen 2.978 N/A LYS 198.A N GLU 195.A O no hydrogen 3.088 N/A LYS 200.A NZ ASP 227.A OD1 no hydrogen 3.167 N/A LYS 200.A NZ ASP 227.A OD2 no hydrogen 2.868 N/A ILE 205.A N ASP 227.A OD2 no hydrogen 2.874 N/A THR 206.A N LEU 164.A O no hydrogen 2.930 N/A THR 206.A OG1 GLN 165.A OE1 no hydrogen 2.800 N/A HIS 207.A N LEU 166.A O no hydrogen 2.773 N/A HIS 207.A ND1 PHE 230.A O no hydrogen 3.018 N/A ILE 208.A N PHE 230.A O no hydrogen 3.270 N/A CYS 209.A N ASP 168.A O no hydrogen 3.264 N/A CYS 209.A SG HIS 207.A NE2 no hydrogen 3.607 N/A CYS 209.A SG ARG 210.A O no hydrogen 3.963 N/A CYS 209.A SG GLU 232.A OE2 no hydrogen 3.726 N/A ARG 210.A N GLU 232.A OE2 no hydrogen 3.159 N/A TYR 213.A N GLY 211.A O no hydrogen 3.204 N/A ALA 217.A N PRO 215.A O no hydrogen 2.670 N/A PHE 221.A N ALA 217.A O no hydrogen 3.359 N/A GLY 222.A N GLU 218.A O no hydrogen 2.954 N/A LYS 223.A N THR 219.A O no hydrogen 3.123 N/A LEU 224.A N THR 219.A O no hydrogen 2.877 N/A ASN 225.A N ASN 194.A OD1 no hydrogen 2.609 N/A ASP 227.A N ILE 205.A O no hydrogen 3.206 N/A PHE 229.A N LYS 250.A O no hydrogen 3.086 N/A LEU 231.A N VAL 252.A O no hydrogen 3.091 N/A TYR 233.A N GLY 254.A O no hydrogen 3.229 N/A TYR 243.A N LEU 241.A O no hydrogen 2.567 N/A ARG 246.A NH1 ILE 226.A O no hydrogen 2.646 N/A ARG 246.A NH1 ASP 248.A OD2 no hydrogen 3.373 N/A ARG 246.A NH2 ILE 226.A O no hydrogen 3.440 N/A LEU 249.A N ARG 246.A O no hydrogen 3.197 N/A LYS 250.A N ASP 227.A O no hydrogen 3.132 N/A LYS 250.A NZ ASP 248.A O no hydrogen 2.935 N/A ILE 251.A N GLN 283.A O no hydrogen 3.416 N/A VAL 252.A N PHE 229.A O no hydrogen 2.676 N/A LEU 253.A N ARG 285.A O no hydrogen 2.616 N/A GLY 254.A N LEU 231.A O no hydrogen 2.779 N/A LEU 255.A N LEU 253.A O no hydrogen 2.993 N/A ILE 256.A N SER 287.A O no hydrogen 3.427 N/A THR 257.A OG1 GLU 263.A OE2 no hydrogen 2.847 N/A SER 258.A OG CYS 290.A O no hydrogen 3.456 N/A LYS 269.A N GLU 265.A O no hydrogen 3.105 N/A LYS 269.A NZ GLU 265.A OE2 no hydrogen 2.990 N/A ALA 270.A N ALA 266.A O no hydrogen 2.970 N/A ARG 271.A N ALA 267.A O no hydrogen 2.770 N/A ILE 272.A N ILE 268.A O no hydrogen 2.771 N/A GLU 273.A N LYS 269.A O no hydrogen 2.853 N/A GLU 274.A N ALA 270.A O no hydrogen 2.669 N/A ALA 275.A N ARG 271.A O no hydrogen 3.126 N/A SER 276.A N ILE 272.A O no hydrogen 2.788 N/A SER 276.A OG GLU 273.A O no hydrogen 2.443 N/A GLU 277.A N GLU 274.A O no hydrogen 3.083 N/A VAL 279.A N ALA 275.A O no hydrogen 2.879 N/A GLN 283.A N PRO 280.A O no hydrogen 2.947 N/A LEU 284.A N LEU 281.A O no hydrogen 3.209 N/A ARG 285.A N ILE 251.A O no hydrogen 3.297 N/A ARG 285.A NE PRO 5.A O no hydrogen 3.104 N/A ARG 285.A NH1 SER 282.A O no hydrogen 2.884 N/A ARG 285.A NH1 LEU 284.A O no hydrogen 3.159 N/A LEU 286.A N TYR 7.A O no hydrogen 2.929 N/A SER 287.A N LEU 253.A O no hydrogen 3.157 N/A SER 287.A OG PRO 288.A O no hydrogen 2.790 N/A GLN 289.A N ILE 256.A O no hydrogen 2.757 N/A CYS 290.A N SER 258.A OG no hydrogen 3.287 N/A CYS 290.A SG HIS 207.A NE2 no hydrogen 3.780 N/A CYS 290.A SG GLY 291.A O no hydrogen 4.028 N/A GLU 297.A N THR 294.A OG1 no hydrogen 3.142 N/A GLN 298.A N THR 294.A O no hydrogen 3.102 N/A TRP 299.A N GLU 295.A O no hydrogen 3.311 N/A ASP 300.A N GLU 296.A O no hydrogen 3.155 N/A LYS 301.A N GLU 297.A O no hydrogen 2.969 N/A LYS 301.A NZ THR 257.A O no hydrogen 2.956 N/A LEU 302.A N GLN 298.A O no hydrogen 3.143 N/A ARG 303.A N TRP 299.A O no hydrogen 2.969 N/A TYR 304.A N ASP 300.A O no hydrogen 2.976 N/A TYR 304.A OH GLU 263.A O no hydrogen 2.942 N/A TYR 304.A OH ASP 264.A O no hydrogen 3.262 N/A VAL 305.A N LYS 301.A O no hydrogen 3.063 N/A VAL 306.A N LEU 302.A O no hydrogen 2.888 N/A ARG 307.A N ARG 303.A O no hydrogen 2.818 N/A LEU 308.A N TYR 304.A O no hydrogen 2.964 N/A ALA 309.A N VAL 305.A O no hydrogen 3.013 N/A ASN 310.A N VAL 306.A O no hydrogen 3.199 N/A ASN 310.A N ARG 307.A O no hydrogen 3.023 N/A ASP 311.A N ARG 307.A O no hydrogen 3.023 N/A ILE 312.A N LEU 308.A O no hydrogen 2.911 N/A TRP 313.A N ALA 309.A O no hydrogen 2.819 N/A TRP 313.A NE1 LEU 281.A O no hydrogen 3.027 N/A