Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2px1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N ASN 27.A O no hydrogen 2.953 N/A VAL 5.A N ASP 49.A OD2 no hydrogen 2.595 N/A TRP 6.A N THR 29.A O no hydrogen 2.613 N/A CYS 7.A N ALA 50.A O no hydrogen 2.836 N/A CYS 7.A SG ALA 31.A O no hydrogen 3.840 N/A ALA 8.A N ALA 31.A O no hydrogen 2.555 N/A VAL 9.A N GLU 13.A OE1 no hydrogen 2.963 N/A GLY 10.A N ALA 33.A O no hydrogen 2.904 N/A GLN 14.A N GLY 10.A O no hydrogen 2.981 N/A LYS 15.A N PRO 11.A O no hydrogen 2.838 N/A LYS 16.A N GLU 12.A O no hydrogen 3.047 N/A LYS 16.A NZ LEU 290.A O no hydrogen 2.511 N/A LYS 16.A NZ LYS 292.A O no hydrogen 2.941 N/A LYS 16.A NZ LEU 298.A O no hydrogen 2.961 N/A CYS 17.A N GLU 13.A O no hydrogen 2.817 N/A GLN 18.A N GLN 14.A O no hydrogen 2.971 N/A GLN 19.A N LYS 15.A O no hydrogen 3.266 N/A TRP 20.A N LYS 16.A O no hydrogen 2.972 N/A TRP 20.A NE1 GLN 273.A OE1 no hydrogen 3.028 N/A SER 21.A N CYS 17.A O no hydrogen 2.811 N/A SER 21.A OG VAL 28.A O no hydrogen 2.484 N/A GLN 22.A N GLN 18.A O no hydrogen 2.830 N/A GLN 23.A N GLN 19.A O no hydrogen 3.063 N/A SER 24.A N SER 21.A O no hydrogen 3.033 N/A SER 24.A OG SER 21.A O no hydrogen 2.960 N/A SER 24.A OG VAL 28.A O no hydrogen 3.330 N/A GLY 25.A N GLN 22.A O no hydrogen 3.420 N/A GLN 26.A N SER 21.A O no hydrogen 3.073 N/A ASN 27.A N SER 24.A O no hydrogen 3.395 N/A VAL 28.A N SER 24.A OG no hydrogen 2.763 N/A THR 29.A N VAL 4.A O no hydrogen 2.848 N/A ALA 31.A N TRP 6.A O no hydrogen 2.840 N/A ALA 33.A N ALA 8.A O no hydrogen 2.903 N/A ASP 38.A N THR 35.A OG1 no hydrogen 3.125 N/A CYS 39.A N THR 35.A O no hydrogen 2.984 N/A CYS 39.A SG ALA 8.A O no hydrogen 3.455 N/A ILE 40.A N THR 36.A O no hydrogen 2.789 N/A VAL 41.A N ASP 37.A O no hydrogen 2.936 N/A LEU 42.A N ASP 38.A O no hydrogen 2.913 N/A VAL 43.A N CYS 39.A O no hydrogen 3.198 N/A LEU 44.A N ILE 40.A O no hydrogen 2.922 N/A LYS 45.A N VAL 41.A O no hydrogen 2.788 N/A LYS 45.A NZ GLU 47.A OE1 no hydrogen 3.137 N/A LYS 45.A NZ GLU 47.A OE2 no hydrogen 3.437 N/A GLY 46.A N VAL 43.A O no hydrogen 2.860 N/A GLU 47.A N LEU 42.A O no hydrogen 2.680 N/A ALA 48.A N LEU 42.A O no hydrogen 3.004 N/A ASP 49.A N VAL 5.A O no hydrogen 2.736 N/A ALA 50.A N VAL 5.A O no hydrogen 3.325 N/A LEU 51.A N VAL 257.A O no hydrogen 3.439 N/A LEU 53.A N ALA 255.A O no hydrogen 2.610 N/A GLY 56.A N ASP 54.A OD2 no hydrogen 2.757 N/A TYR 57.A N ASP 54.A O no hydrogen 2.935 N/A ILE 58.A N ASP 54.A O no hydrogen 2.962 N/A TYR 59.A N GLY 55.A O no hydrogen 2.949 N/A THR 60.A N GLY 56.A O no hydrogen 3.359 N/A ALA 61.A N TYR 57.A O no hydrogen 2.602 N/A GLY 62.A N ILE 58.A O no hydrogen 2.646 N/A LYS 63.A N TYR 59.A O no hydrogen 3.001 N/A CYS 64.A N ALA 61.A O no hydrogen 3.003 N/A CYS 64.A SG THR 60.A O no hydrogen 3.611 N/A GLY 65.A N GLY 62.A O no hydrogen 2.856 N/A LEU 66.A N ALA 61.A O no hydrogen 2.972 N/A VAL 67.A N SER 258.A O no hydrogen 2.829 N/A VAL 69.A N VAL 256.A O no hydrogen 2.748 N/A ALA 71.A N ALA 308.A O no hydrogen 3.074 N/A GLU 72.A N HIS 254.A O no hydrogen 2.823 N/A ASN 73.A N CYS 306.A O no hydrogen 2.713 N/A ARG 74.A NE GLY 91.A O no hydrogen 3.197 N/A ARG 74.A NH1 GLY 91.A O no hydrogen 2.564 N/A SER 76.A OG LYS 78.A O no hydrogen 3.317 N/A SER 76.A OG GLU 90.A OE2 no hydrogen 3.141 N/A CYS 84.A SG ASN 73.A O no hydrogen 4.046 N/A LEU 86.A N ASP 83.A O no hydrogen 2.893 N/A ARG 87.A N CYS 84.A O no hydrogen 3.084 N/A ARG 87.A NH1 GLU 305.A OE1 no hydrogen 2.545 N/A ARG 87.A NH2 GLU 305.A OE1 no hydrogen 2.854 N/A ARG 87.A NH2 GLU 305.A OE2 no hydrogen 3.070 N/A TYR 92.A N ALA 251.A O no hydrogen 2.997 N/A TYR 92.A OH HIS 254.A NE2 no hydrogen 3.131 N/A ALA 94.A N ALA 249.A O no hydrogen 2.823 N/A VAL 95.A N VAL 202.A O no hydrogen 3.009 N/A VAL 97.A N ALA 200.A O no hydrogen 2.889 N/A VAL 98.A N ARG 229.A O no hydrogen 2.937 N/A LYS 99.A NZ ALA 193.A O no hydrogen 3.114 N/A LYS 99.A NZ ASP 195.A OD1 no hydrogen 2.887 N/A LYS 100.A N ASP 227.A O no hydrogen 2.459 N/A LYS 100.A NZ GLU 226.A OE1 no hydrogen 3.332 N/A ASN 102.A N LYS 99.A O no hydrogen 2.926 N/A ASN 102.A ND2 ASP 198.A OD1 no hydrogen 3.536 N/A THR 106.A N SER 109.A OG no hydrogen 2.723 N/A TRP 107.A NE1 GLN 136.A OE1 no hydrogen 2.572 N/A SER 109.A N THR 106.A O no hydrogen 3.153 N/A SER 109.A OG GLY 104.A O no hydrogen 3.265 N/A SER 109.A OG THR 106.A O no hydrogen 3.390 N/A ASP 112.A N PHE 145.A O no hydrogen 2.812 N/A LYS 113.A N LEU 110.A O no hydrogen 2.838 N/A LYS 113.A NZ SER 109.A O no hydrogen 3.477 N/A LYS 114.A N ASP 198.A OD2 no hydrogen 2.574 N/A SER 115.A N GLN 148.A O no hydrogen 3.080 N/A SER 115.A OG HIS 117.A NE2 no hydrogen 2.717 N/A SER 115.A OG SER 149.A OG no hydrogen 2.891 N/A CYS 116.A N VAL 199.A O no hydrogen 2.645 N/A CYS 116.A SG VAL 199.A O no hydrogen 3.737 N/A HIS 117.A N CYS 150.A O no hydrogen 2.921 N/A HIS 117.A ND1 GLY 125.A O no hydrogen 2.662 N/A HIS 117.A NE2 SER 115.A OG no hydrogen 2.717 N/A VAL 120.A N PRO 152.A O no hydrogen 2.727 N/A ARG 122.A N ALA 119.A O no hydrogen 3.226 N/A ARG 122.A NH1 TYR 183.A OH no hydrogen 3.186 N/A THR 123.A N ASP 54.A OD1 no hydrogen 3.329 N/A THR 123.A N ASP 54.A OD2 no hydrogen 2.693 N/A THR 123.A OG1 ASP 54.A OD1 no hydrogen 3.127 N/A THR 123.A OG1 ASP 54.A OD2 no hydrogen 3.043 N/A THR 123.A OG1 TYR 324.A OH no hydrogen 2.667 N/A TRP 126.A N ARG 122.A O no hydrogen 3.158 N/A ASN 127.A N ARG 122.A O no hydrogen 2.825 N/A ASN 127.A ND2 ASP 121.A O no hydrogen 3.554 N/A ASN 127.A ND2 TYR 324.A OH no hydrogen 3.120 N/A ILE 128.A N THR 123.A O no hydrogen 2.938 N/A MET 130.A N TRP 126.A O no hydrogen 2.920 N/A GLY 131.A N ASN 127.A O no hydrogen 3.003 N/A LEU 132.A N ILE 128.A O no hydrogen 2.834 N/A ILE 133.A N PRO 129.A O no hydrogen 2.860 N/A VAL 134.A N MET 130.A O no hydrogen 2.800 N/A ASN 135.A N GLY 131.A O no hydrogen 2.937 N/A GLN 136.A N LEU 132.A O no hydrogen 2.807 N/A THR 137.A N ILE 133.A O no hydrogen 2.700 N/A THR 137.A OG1 ILE 133.A O no hydrogen 2.979 N/A THR 137.A OG1 VAL 134.A O no hydrogen 3.437 N/A GLY 138.A N VAL 134.A O no hydrogen 2.747 N/A SER 139.A N THR 137.A OG1 no hydrogen 3.281 N/A ALA 141.A N SER 139.A OG no hydrogen 2.958 N/A GLU 144.A N ALA 141.A O no hydrogen 2.855 N/A PHE 145.A N PHE 142.A O no hydrogen 3.347 N/A SER 147.A N LYS 113.A O no hydrogen 3.102 N/A SER 149.A N ARG 159.A O no hydrogen 2.873 N/A SER 149.A OG SER 115.A OG no hydrogen 2.891 N/A CYS 150.A N SER 115.A O no hydrogen 3.095 N/A CYS 150.A SG GLU 180.A OE2 no hydrogen 3.900 N/A ALA 151.A N LEU 160.A O no hydrogen 2.734 N/A GLY 153.A N CYS 174.A O no hydrogen 2.919 N/A ALA 154.A N ALA 151.A O no hydrogen 3.006 N/A LYS 157.A N ASP 155.A OD1 no hydrogen 3.023 N/A LYS 157.A NZ ASP 155.A OD1 no hydrogen 3.409 N/A LYS 157.A NZ ASP 155.A OD2 no hydrogen 3.154 N/A SER 158.A N ASP 155.A O no hydrogen 2.757 N/A SER 158.A OG ASP 155.A O no hydrogen 2.876 N/A ARG 159.A NE ASP 143.A O no hydrogen 2.767 N/A LEU 160.A N SER 158.A OG no hydrogen 3.140 N/A CYS 161.A N SER 158.A O no hydrogen 3.042 N/A CYS 161.A SG ALA 154.A O no hydrogen 3.156 N/A ALA 162.A N ARG 159.A O no hydrogen 3.354 N/A LEU 163.A N SER 149.A O no hydrogen 2.967 N/A CYS 164.A N CYS 161.A O no hydrogen 2.827 N/A ALA 165.A N GLU 180.A OE2 no hydrogen 3.164 N/A GLY 166.A N GLU 180.A OE1 no hydrogen 2.788 N/A ASP 167.A N LEU 171.A O no hydrogen 2.568 N/A GLN 169.A N ASP 167.A OD1 no hydrogen 2.867 N/A GLY 170.A N ASP 167.A O no hydrogen 2.653 N/A LEU 171.A N ASP 167.A OD1 no hydrogen 2.771 N/A LYS 173.A NZ CYS 161.A O no hydrogen 2.438 N/A LYS 173.A NZ CYS 164.A O no hydrogen 2.740 N/A CYS 174.A N GLU 180.A OE1 no hydrogen 2.783 N/A CYS 174.A SG ALA 151.A O no hydrogen 3.656 N/A VAL 175.A N ASP 172.A O no hydrogen 2.914 N/A ASN 177.A N VAL 175.A O no hydrogen 2.832 N/A ASN 177.A ND2 SER 34.A O no hydrogen 2.947 N/A SER 178.A OG GLU 12.A OE1 no hydrogen 2.791 N/A LYS 179.A N ASN 177.A OD1 no hydrogen 2.839 N/A LYS 179.A NZ ASP 167.A OD2 no hydrogen 2.771 N/A LYS 179.A NZ ASP 172.A OD2 no hydrogen 2.448 N/A GLU 180.A N ASN 177.A O no hydrogen 3.018 N/A LYS 181.A N GLY 166.A O no hydrogen 3.162 N/A TYR 182.A N GLU 180.A OE2 no hydrogen 2.756 N/A TYR 182.A OH GLU 194.A OE1 no hydrogen 2.709 N/A TYR 183.A N GLU 180.A O no hydrogen 3.003 N/A GLY 184.A N THR 118.A O no hydrogen 2.712 N/A TYR 185.A OH HIS 254.A NE2 no hydrogen 2.686 N/A THR 186.A OG1 THR 295.A O no hydrogen 3.284 N/A THR 186.A OG1 ASN 297.A OD1 no hydrogen 3.522 N/A GLY 187.A N TYR 183.A O no hydrogen 3.103 N/A ALA 188.A N GLY 184.A O no hydrogen 2.919 N/A PHE 189.A N TYR 185.A O no hydrogen 3.189 N/A ARG 190.A N THR 186.A O no hydrogen 2.747 N/A ARG 190.A NE GLU 194.A OE2 no hydrogen 3.119 N/A CYS 191.A N GLY 187.A O no hydrogen 2.781 N/A LEU 192.A N ALA 188.A O no hydrogen 3.077 N/A ALA 193.A N PHE 189.A O no hydrogen 2.670 N/A GLU 194.A N ARG 190.A O no hydrogen 2.929 N/A ASP 195.A N LEU 192.A O no hydrogen 2.723 N/A VAL 196.A N CYS 191.A O no hydrogen 3.025 N/A GLY 197.A N CYS 191.A O no hydrogen 3.140 N/A ASP 198.A N LYS 114.A O no hydrogen 2.495 N/A VAL 199.A N LYS 114.A O no hydrogen 3.132 N/A ALA 200.A N VAL 97.A O no hydrogen 2.922 N/A PHE 201.A N CYS 116.A O no hydrogen 2.830 N/A ASN 204.A N LEU 93.A O no hydrogen 2.780 N/A THR 206.A N LYS 203.A O no hydrogen 3.079 N/A THR 206.A OG1 LYS 203.A O no hydrogen 3.415 N/A TRP 208.A NE1 VAL 240.A O no hydrogen 2.898 N/A GLU 209.A N ASP 205.A O no hydrogen 2.859 N/A ASN 210.A N VAL 207.A O no hydrogen 3.415 N/A ASN 210.A ND2 THR 206.A O no hydrogen 2.799 N/A THR 211.A N TRP 208.A O no hydrogen 3.342 N/A THR 211.A OG1 VAL 207.A O no hydrogen 2.691 N/A THR 211.A OG1 TRP 208.A O no hydrogen 3.345 N/A ASN 212.A N LEU 223.A O no hydrogen 2.760 N/A GLU 214.A N THR 211.A O no hydrogen 2.983 N/A THR 216.A OG1 SER 215.A O no hydrogen 2.432 N/A ALA 217.A N SER 215.A OG no hydrogen 3.335 N/A ALA 220.A N ALA 217.A O no hydrogen 2.792 N/A LYS 221.A N ALA 217.A O no hydrogen 2.930 N/A LEU 223.A N ALA 220.A O no hydrogen 2.733 N/A ARG 225.A N ASN 212.A OD1 no hydrogen 2.793 N/A ARG 225.A NH2 TRP 208.A O no hydrogen 3.481 N/A ASP 227.A N LYS 224.A O no hydrogen 2.768 N/A PHE 228.A N ARG 225.A O no hydrogen 3.002 N/A ARG 229.A N VAL 98.A O no hydrogen 2.763 N/A ARG 229.A NH1 GLU 226.A OE1 no hydrogen 3.406 N/A ARG 229.A NH1 GLU 226.A OE2 no hydrogen 2.752 N/A ARG 229.A NH1 PHE 228.A O no hydrogen 3.329 N/A ARG 229.A NH2 GLU 226.A OE1 no hydrogen 2.941 N/A ARG 229.A NH2 GLU 226.A OE2 no hydrogen 3.490 N/A LEU 230.A N LYS 238.A O no hydrogen 2.733 N/A LEU 231.A N ALA 96.A O no hydrogen 2.897 N/A CYS 232.A N THR 236.A O no hydrogen 3.010 N/A CYS 232.A SG THR 236.A O no hydrogen 3.608 N/A GLY 235.A N CYS 232.A O no hydrogen 3.162 N/A THR 236.A N ASP 234.A OD1 no hydrogen 2.937 N/A ARG 237.A NH1 ASN 102.A O no hydrogen 2.851 N/A ARG 237.A NH1 LEU 105.A O no hydrogen 2.986 N/A ARG 237.A NH2 LYS 100.A O no hydrogen 2.887 N/A LYS 238.A N LEU 230.A O no hydrogen 3.030 N/A THR 241.A OG1 GLU 242.A OE1 no hydrogen 3.300 N/A GLU 242.A N PRO 239.A O no hydrogen 2.986 N/A GLN 244.A NE2 THR 241.A O no hydrogen 3.687 N/A SER 245.A N GLU 242.A O no hydrogen 3.164 N/A SER 245.A OG GLU 242.A O no hydrogen 3.414 N/A CYS 246.A N ALA 243.A O no hydrogen 3.083 N/A HIS 247.A ND1 ALA 243.A O no hydrogen 2.646 N/A LEU 248.A N ALA 94.A O no hydrogen 2.666 N/A ALA 251.A N TYR 92.A O no hydrogen 2.644 N/A ASN 253.A ND2 GLU 72.A O no hydrogen 2.627 N/A ALA 255.A N LEU 53.A O no hydrogen 3.035 N/A VAL 256.A N LEU 70.A O no hydrogen 2.712 N/A VAL 257.A N LEU 51.A O no hydrogen 2.883 N/A SER 258.A N VAL 67.A O no hydrogen 3.102 N/A SER 258.A OG ARG 259.A O no hydrogen 3.229 N/A ARG 259.A NE ASP 261.A OD2 no hydrogen 3.501 N/A ARG 259.A NH1 LEU 44.A O no hydrogen 2.650 N/A ARG 259.A NH2 ASP 261.A OD2 no hydrogen 3.414 N/A SER 260.A OG GLY 65.A O no hydrogen 3.272 N/A ARG 262.A N ARG 259.A O no hydrogen 2.660 N/A ARG 262.A NE ASP 49.A OD1 no hydrogen 3.025 N/A ARG 262.A NH2 ASP 49.A OD1 no hydrogen 3.558 N/A ARG 262.A NH2 ASP 49.A OD2 no hydrogen 3.411 N/A ALA 263.A N ARG 259.A O no hydrogen 3.011 N/A VAL 266.A N ARG 262.A O no hydrogen 2.878 N/A GLU 267.A N ALA 263.A O no hydrogen 2.786 N/A GLN 268.A N ALA 264.A O no hydrogen 3.123 N/A GLN 268.A NE2 HIS 272.A ND1 no hydrogen 3.482 N/A VAL 269.A N HIS 265.A O no hydrogen 3.054 N/A LEU 270.A N VAL 266.A O no hydrogen 2.999 N/A LEU 271.A N GLU 267.A O no hydrogen 3.062 N/A HIS 272.A N GLN 268.A O no hydrogen 3.201 N/A GLN 273.A N VAL 269.A O no hydrogen 2.788 N/A GLN 274.A N LEU 270.A O no hydrogen 2.823 N/A GLN 274.A NE2 LEU 307.A O no hydrogen 2.879 N/A ALA 275.A N LEU 271.A O no hydrogen 3.120 N/A LEU 276.A N GLN 273.A O no hydrogen 3.129 N/A PHE 277.A N GLN 273.A O no hydrogen 2.710 N/A GLY 278.A N GLN 274.A O no hydrogen 2.637 N/A GLY 281.A N GLY 278.A O no hydrogen 3.084 N/A LYS 282.A N ALA 275.A O no hydrogen 3.201 N/A ASN 283.A N LEU 276.A O no hydrogen 2.908 N/A CYS 284.A N GLY 281.A O no hydrogen 3.060 N/A CYS 284.A SG PHE 277.A O no hydrogen 3.717 N/A CYS 284.A SG GLY 278.A O no hydrogen 3.098 N/A LYS 287.A N ASN 283.A O no hydrogen 2.806 N/A PHE 288.A N ASN 283.A O no hydrogen 2.981 N/A LEU 290.A N PHE 277.A O no hydrogen 2.942 N/A LYS 292.A N CYS 289.A O no hydrogen 3.291 N/A LYS 292.A NZ PHE 291.A O no hydrogen 3.241 N/A LYS 292.A NZ ASP 302.A O no hydrogen 2.942 N/A SER 293.A OG ASP 302.A OD1 no hydrogen 2.642 N/A SER 293.A OG ASP 302.A OD2 no hydrogen 3.255 N/A LYS 296.A N SER 293.A O no hydrogen 2.980 N/A ASN 297.A N ASP 302.A OD2 no hydrogen 3.173 N/A LEU 298.A N SER 293.A OG no hydrogen 3.200 N/A LEU 299.A N GLU 13.A OE2 no hydrogen 2.933 N/A ASN 301.A N GLU 72.A OE2 no hydrogen 2.789 N/A ASN 301.A ND2 GLU 72.A OE1 no hydrogen 2.751 N/A ASN 301.A ND2 HIS 254.A ND1 no hydrogen 3.553 N/A ASN 303.A ND2 GLU 209.A OE2 no hydrogen 2.914 N/A THR 304.A N ASN 301.A O no hydrogen 3.250 N/A THR 304.A OG1 ASN 301.A O no hydrogen 2.871 N/A GLU 305.A N ASN 73.A O no hydrogen 2.735 N/A CYS 306.A N ASN 73.A O no hydrogen 3.135 N/A LEU 307.A N GLN 274.A OE1 no hydrogen 2.723 N/A ALA 308.A N ALA 71.A O no hydrogen 2.696 N/A LYS 309.A N VAL 85.A O no hydrogen 2.720 N/A THR 315.A N GLU 318.A OE1 no hydrogen 2.803 N/A THR 315.A OG1 GLU 318.A OE1 no hydrogen 3.273 N/A GLU 318.A N THR 315.A OG1 no hydrogen 3.194 N/A TYR 319.A N THR 315.A O no hydrogen 2.879 N/A TYR 319.A OH ASN 253.A O no hydrogen 2.605 N/A LEU 320.A N TYR 316.A O no hydrogen 2.946 N/A GLY 321.A N GLU 317.A O no hydrogen 2.938 N/A TYR 324.A OH THR 123.A OG1 no hydrogen 2.667 N/A VAL 325.A N GLY 321.A O no hydrogen 3.035 N/A THR 326.A N THR 322.A O no hydrogen 3.057 N/A THR 326.A OG1 THR 322.A O no hydrogen 3.350 N/A THR 326.A OG1 GLU 323.A O no hydrogen 2.609 N/A ALA 327.A N GLU 323.A O no hydrogen 3.325 N/A ILE 328.A N TYR 324.A O no hydrogen 3.220 N/A ALA 329.A N VAL 325.A O no hydrogen 3.347 N/A ASN 330.A N THR 326.A O no hydrogen 2.958 N/A LEU 331.A N ALA 327.A O no hydrogen 2.796 N/A LYS 332.A N ILE 328.A O no hydrogen 2.820 N/A LYS 333.A NZ ASN 330.A OD1 no hydrogen 2.836 N/A CYS 334.A N LEU 331.A O no hydrogen 3.107 N/A SER 335.A N LYS 332.A O no hydrogen 3.102 N/A CYS 339.A SG PHE 341.A O no hydrogen 3.855 N/A