Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ixu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N ASP 189.A OD2 no hydrogen 2.651 N/A LYS 2.A N ASP 5.A OD2 no hydrogen 2.752 N/A LYS 3.A N ASP 188.A OD2 no hydrogen 2.860 N/A ASN 4.A N VAL 185.A O no hydrogen 2.621 N/A ASN 4.A ND2 ALA 338.A O no hydrogen 2.820 N/A ASP 5.A N LYS 2.A O no hydrogen 2.870 N/A PHE 7.A N ASN 183.A O no hydrogen 3.015 N/A VAL 8.A N ASN 29.A O no hydrogen 2.954 N/A VAL 10.A N ILE 31.A O no hydrogen 3.073 N/A HIS 13.A N SER 11.A OG no hydrogen 3.227 N/A ASN 14.A N SER 11.A O no hydrogen 2.924 N/A ASN 14.A ND2 SER 11.A O no hydrogen 3.453 N/A GLY 15.A N SER 12.A O no hydrogen 3.100 N/A ILE 18.A N GLN 51.A OE1 no hydrogen 2.793 N/A THR 19.A N ASP 17.A OD1 no hydrogen 3.114 N/A THR 19.A OG1 ASP 17.A OD1 no hydrogen 2.688 N/A THR 19.A OG1 ASP 17.A OD2 no hydrogen 3.490 N/A LEU 22.A N ILE 18.A O no hydrogen 3.180 N/A GLU 23.A N THR 19.A O no hydrogen 3.093 N/A GLN 24.A N GLY 20.A O no hydrogen 3.040 N/A MET 25.A N ILE 21.A O no hydrogen 3.021 N/A GLY 26.A N LEU 22.A O no hydrogen 2.854 N/A THR 27.A N LEU 22.A O no hydrogen 3.216 N/A THR 27.A OG1 LEU 6.A O no hydrogen 3.470 N/A ASN 29.A N THR 27.A OG1 no hydrogen 2.996 N/A ASN 29.A ND2 LEU 6.A O no hydrogen 3.022 N/A THR 30.A N ASN 53.A O no hydrogen 3.315 N/A THR 30.A OG1 SER 52.A OG no hydrogen 2.828 N/A ILE 31.A N VAL 8.A O no hydrogen 2.876 N/A ILE 32.A N GLY 56.A O no hydrogen 3.320 N/A LYS 33.A N VAL 10.A O no hydrogen 2.896 N/A LYS 33.A NZ GLU 36.A OE2 no hydrogen 2.584 N/A ILE 34.A N TYR 58.A O no hydrogen 2.946 N/A SER 35.A OG HIS 59.A ND1 no hydrogen 2.735 N/A GLU 36.A N TYR 40.A O no hydrogen 3.247 N/A SER 37.A N PHE 60.A O no hydrogen 3.445 N/A TYR 40.A N GLU 36.A O no hydrogen 3.294 N/A ASN 42.A N ILE 34.A O no hydrogen 2.954 N/A ASN 42.A ND2 LYS 33.A O no hydrogen 2.734 N/A ASN 42.A ND2 GLN 48.A OE1 no hydrogen 3.043 N/A CYS 44.A N ASN 42.A OD1 no hydrogen 2.942 N/A LEU 45.A N ASN 42.A O no hydrogen 3.277 N/A GLN 48.A N CYS 44.A O no hydrogen 2.968 N/A GLN 48.A NE2 SER 11.A O no hydrogen 2.989 N/A GLN 48.A NE2 GLY 15.A O no hydrogen 3.013 N/A VAL 49.A N LEU 45.A O no hydrogen 2.935 N/A GLU 50.A N SER 46.A O no hydrogen 2.942 N/A GLN 51.A N ALA 47.A O no hydrogen 2.978 N/A GLN 51.A NE2 TYR 16.A O no hydrogen 2.838 N/A SER 52.A N VAL 49.A O no hydrogen 3.061 N/A SER 52.A OG THR 30.A OG1 no hydrogen 2.828 N/A SER 52.A OG GLN 48.A O no hydrogen 2.810 N/A ASN 53.A N THR 28.A O no hydrogen 2.770 N/A ASN 53.A ND2 ASN 29.A OD1 no hydrogen 3.095 N/A ILE 55.A N THR 30.A O no hydrogen 2.795 N/A PHE 57.A N TYR 87.A O no hydrogen 3.414 N/A TYR 58.A N ILE 32.A O no hydrogen 2.884 N/A HIS 59.A N VAL 89.A O no hydrogen 2.799 N/A HIS 59.A ND1 SER 35.A OG no hydrogen 2.735 N/A HIS 59.A NE2 GLU 73.A OE1 no hydrogen 2.911 N/A PHE 60.A N SER 35.A O no hydrogen 2.960 N/A ALA 61.A N ASP 91.A O no hydrogen 2.828 N/A ARG 62.A N GLU 73.A OE1 no hydrogen 2.944 N/A ARG 62.A N GLU 73.A OE2 no hydrogen 3.262 N/A ARG 62.A NE GLU 36.A OE1 no hydrogen 2.925 N/A ARG 62.A NH1 ASP 94.A OD2 no hydrogen 2.856 N/A ARG 62.A NH1 ASP 95.A OD2 no hydrogen 3.109 N/A ARG 62.A NH2 GLU 36.A OE1 no hydrogen 2.767 N/A ASP 66.A N PHE 63.A O no hydrogen 3.017 N/A GLU 69.A N ASP 66.A OD1 no hydrogen 2.920 N/A ALA 70.A N ASP 66.A O no hydrogen 3.067 N/A GLU 71.A N VAL 67.A O no hydrogen 3.000 N/A ARG 72.A N ALA 68.A O no hydrogen 3.241 N/A ARG 72.A NH2 GLU 69.A OE1 no hydrogen 2.831 N/A GLU 73.A N GLU 69.A O no hydrogen 2.928 N/A ALA 74.A N ALA 70.A O no hydrogen 2.858 N/A GLN 75.A N GLU 71.A O no hydrogen 3.099 N/A PHE 76.A N ARG 72.A O no hydrogen 2.986 N/A PHE 77.A N GLU 73.A O no hydrogen 2.941 N/A LEU 78.A N ALA 74.A O no hydrogen 2.761 N/A ASP 79.A N GLN 75.A O no hydrogen 2.790 N/A ASN 80.A N PHE 77.A O no hydrogen 2.930 N/A ASN 80.A ND2 PHE 76.A O no hydrogen 2.784 N/A VAL 81.A N LEU 78.A O no hydrogen 3.203 N/A LYS 86.A NZ ASP 189.A OD2 no hydrogen 3.255 N/A TYR 87.A OH ASP 189.A OD1 no hydrogen 2.632 N/A LEU 88.A N LYS 120.A O no hydrogen 3.103 N/A VAL 89.A N PHE 57.A O no hydrogen 2.728 N/A LEU 90.A N ILE 122.A O no hydrogen 2.781 N/A ASP 91.A N HIS 59.A O no hydrogen 2.868 N/A TYR 92.A N TYR 124.A O no hydrogen 2.992 N/A TYR 92.A OH GLY 64.A O no hydrogen 2.552 N/A GLN 101.A N ASP 99.A OD1 no hydrogen 2.993 N/A GLN 101.A NE2 ASN 105.A OD1 no hydrogen 3.188 N/A GLN 101.A NE2 GLN 138.A OE1 no hydrogen 2.692 N/A ALA 102.A N ASP 99.A OD1 no hydrogen 3.340 N/A ASN 103.A N ASP 99.A O no hydrogen 3.067 N/A THR 104.A N ALA 100.A O no hydrogen 3.225 N/A THR 104.A OG1 ALA 100.A O no hydrogen 2.666 N/A ASN 105.A N GLN 101.A O no hydrogen 2.932 N/A ALA 106.A N ALA 102.A O no hydrogen 2.990 N/A CYS 107.A N ASN 103.A O no hydrogen 2.910 N/A CYS 107.A SG ASN 103.A O no hydrogen 3.398 N/A LEU 108.A N THR 104.A O no hydrogen 2.815 N/A ARG 109.A N ASN 105.A O no hydrogen 2.886 N/A PHE 110.A N ALA 106.A O no hydrogen 3.062 N/A MET 111.A N CYS 107.A O no hydrogen 2.905 N/A GLN 112.A N LEU 108.A O no hydrogen 2.713 N/A GLN 112.A NE2 GLN 112.A O no hydrogen 3.216 N/A GLN 112.A NE2 ASP 116.A OD1 no hydrogen 2.820 N/A MET 113.A N ARG 109.A O no hydrogen 3.080 N/A ILE 114.A N PHE 110.A O no hydrogen 3.231 N/A ILE 114.A N MET 111.A O no hydrogen 3.089 N/A ALA 115.A N MET 111.A O no hydrogen 3.134 N/A ASP 116.A N GLN 112.A O no hydrogen 2.890 N/A ALA 117.A N MET 113.A O no hydrogen 3.206 N/A ALA 117.A N ILE 114.A O no hydrogen 3.207 N/A GLY 118.A N ALA 115.A O no hydrogen 2.511 N/A TYR 119.A N ILE 114.A O no hydrogen 3.194 N/A LYS 120.A N LYS 86.A O no hydrogen 2.750 N/A ILE 122.A N LEU 88.A O no hydrogen 3.090 N/A TYR 123.A N SER 146.A O no hydrogen 2.884 N/A TYR 123.A OH THR 130.A OG1 no hydrogen 2.935 N/A TYR 124.A N LEU 90.A O no hydrogen 2.884 N/A TYR 124.A OH GLN 174.A OE1 no hydrogen 2.571 N/A SER 125.A N TRP 148.A O no hydrogen 3.201 N/A SER 125.A OG TYR 92.A O no hydrogen 2.706 N/A SER 125.A OG THR 130.A OG1 no hydrogen 3.389 N/A LYS 127.A NZ SER 166.A O no hydrogen 3.102 N/A LYS 127.A NZ SER 166.A OG no hydrogen 3.382 N/A THR 130.A N TYR 126.A O no hydrogen 2.972 N/A THR 130.A OG1 TYR 123.A OH no hydrogen 2.935 N/A THR 130.A OG1 TYR 126.A O no hydrogen 2.987 N/A HIS 131.A N LYS 127.A O no hydrogen 2.875 N/A ASP 132.A N PRO 128.A O no hydrogen 3.045 N/A ASN 133.A N PHE 129.A O no hydrogen 2.952 N/A ASN 133.A ND2 PHE 129.A O no hydrogen 2.875 N/A VAL 134.A N THR 130.A O no hydrogen 3.166 N/A ASP 135.A N THR 104.A OG1 no hydrogen 2.914 N/A GLN 137.A NE2 ASP 168.A OD2 no hydrogen 2.741 N/A GLN 138.A N ASP 135.A O no hydrogen 2.928 N/A GLN 138.A NE2 GLN 101.A OE1 no hydrogen 3.193 N/A GLN 138.A NE2 ASP 135.A OD2 no hydrogen 2.643 N/A LEU 140.A N TYR 136.A O no hydrogen 2.883 N/A ALA 141.A N GLN 137.A O no hydrogen 2.978 N/A PHE 143.A N ILE 139.A O no hydrogen 2.869 N/A SER 146.A OG PHE 143.A O no hydrogen 2.765 N/A LEU 147.A N GLY 169.A O no hydrogen 3.136 N/A TRP 148.A N TYR 123.A O no hydrogen 2.866 N/A TRP 148.A NE1 ASN 183.A OD1 no hydrogen 2.738 N/A ILE 149.A N TRP 172.A O no hydrogen 3.162 N/A ALA 150.A N SER 125.A O no hydrogen 2.857 N/A GLY 151.A N GLN 174.A O no hydrogen 3.191 N/A TYR 152.A OH GLN 174.A OE1 no hydrogen 2.445 N/A ASN 155.A N TYR 152.A O no hydrogen 2.931 N/A THR 158.A N ASP 156.A OD1 no hydrogen 3.152 N/A THR 158.A OG1 ASP 156.A OD1 no hydrogen 2.748 N/A ASN 160.A ND2 ASP 156.A OD1 no hydrogen 3.040 N/A ASN 160.A ND2 ASP 156.A OD2 no hydrogen 3.413 N/A ASN 160.A ND2 THR 158.A OG1 no hydrogen 3.365 N/A TYR 163.A N ASN 160.A O no hydrogen 3.128 N/A PHE 164.A N PHE 161.A O no hydrogen 2.889 N/A ASP 168.A N TYR 136.A OH no hydrogen 3.458 N/A ARG 171.A N LEU 147.A O no hydrogen 2.728 N/A ARG 171.A NE ASN 145.A O no hydrogen 2.895 N/A ARG 171.A NH1 ASP 188.A O no hydrogen 2.852 N/A ARG 171.A NH2 ASN 145.A O no hydrogen 3.503 N/A ARG 171.A NH2 GLU 190.A OE2 no hydrogen 2.910 N/A TRP 172.A N LEU 147.A O no hydrogen 3.239 N/A TRP 173.A N ILE 184.A O no hydrogen 2.870 N/A TRP 173.A NE1 GLY 151.A O no hydrogen 2.975 N/A GLN 174.A N ILE 149.A O no hydrogen 2.991 N/A GLN 174.A NE2 ASP 9.A OD1 no hydrogen 2.829 N/A TYR 175.A N LYS 182.A O no hydrogen 2.905 N/A SER 177.A OG ASN 155.A OD1 no hydrogen 3.191 N/A ASN 178.A N SER 176.A OG no hydrogen 3.027 N/A ASN 178.A ND2 ASN 155.A O no hydrogen 2.979 N/A LYS 182.A N SER 176.A O no hydrogen 2.795 N/A LYS 182.A NZ GLY 157.A O no hydrogen 2.685 N/A LYS 182.A NZ ASN 178.A O no hydrogen 3.105 N/A ASN 183.A N PHE 7.A O no hydrogen 2.992 N/A ASN 183.A ND2 PHE 7.A O no hydrogen 3.057 N/A ASN 183.A ND2 ASP 9.A OD1 no hydrogen 2.983 N/A ILE 184.A N TRP 173.A O no hydrogen 2.880 N/A VAL 185.A N ASP 5.A O no hydrogen 2.887 N/A LEU 186.A N ARG 171.A O no hydrogen 2.861 N/A LEU 187.A N ARG 171.A O no hydrogen 3.350 N/A ASP 189.A N VAL 1.A O no hydrogen 3.154 N/A ASP 193.A N GLU 191.A O no hydrogen 2.848 N/A GLY 199.A N THR 197.A O no hydrogen 2.749 N/A THR 200.A N ARG 211.A O no hydrogen 2.912 N/A LYS 202.A N TRP 209.A O no hydrogen 3.016 N/A ASP 204.A N GLY 207.A O no hydrogen 3.075 N/A LYS 206.A N ASP 204.A OD1 no hydrogen 2.698 N/A LYS 206.A NZ TYR 237.A OH no hydrogen 3.258 N/A GLY 207.A N ASP 204.A OD1 no hydrogen 2.997 N/A TRP 209.A N LYS 202.A O no hydrogen 2.979 N/A ARG 211.A N THR 200.A O no hydrogen 3.016 N/A ARG 212.A N SER 216.A O no hydrogen 2.770 N/A ARG 212.A NE GLU 223.A OE2 no hydrogen 2.962 N/A ARG 212.A NH1 SER 216.A OG no hydrogen 2.834 N/A ARG 212.A NH2 GLU 223.A OE1 no hydrogen 2.855 N/A ASN 213.A N ALA 198.A O no hydrogen 3.165 N/A GLY 215.A N ARG 212.A O no hydrogen 3.069 N/A SER 216.A N ASN 214.A OD1 no hydrogen 3.008 N/A SER 216.A OG ASN 214.A OD1 no hydrogen 2.790 N/A ASN 220.A N ASP 233.A O no hydrogen 3.066 N/A LYS 221.A N PHE 232.A O no hydrogen 3.233 N/A LYS 221.A NZ TRP 222.A O no hydrogen 2.953 N/A LYS 221.A NZ GLU 223.A OE1 no hydrogen 2.741 N/A TRP 222.A NE1 ASP 246.A OD2 no hydrogen 2.717 N/A GLU 223.A N TYR 230.A O no hydrogen 2.935 N/A ILE 225.A N VAL 228.A O no hydrogen 2.858 N/A VAL 228.A N ILE 225.A O no hydrogen 3.266 N/A TYR 230.A N GLU 223.A O no hydrogen 3.004 N/A PHE 232.A N LYS 221.A O no hydrogen 2.878 N/A ASP 233.A N TYR 237.A O no hydrogen 2.855 N/A LYS 235.A N ASP 233.A OD1 no hydrogen 2.986 N/A GLY 236.A N ASP 233.A O no hydrogen 2.898 N/A TYR 237.A N ASP 233.A OD1 no hydrogen 2.989 N/A TYR 237.A OH ASP 204.A OD2 no hydrogen 2.522 N/A CYS 238.A N TRP 208.A O no hydrogen 2.899 N/A LEU 239.A N TYR 231.A O no hydrogen 2.837 N/A SER 241.A N LYS 254.A O no hydrogen 3.175 N/A GLU 242.A N LEU 253.A O no hydrogen 3.089 N/A LEU 244.A N TYR 251.A O no hydrogen 2.731 N/A ASP 246.A N LYS 249.A O no hydrogen 2.881 N/A LYS 249.A N ASP 246.A O no hydrogen 3.170 N/A TYR 251.A N LEU 244.A O no hydrogen 2.690 N/A LEU 253.A N GLU 242.A O no hydrogen 2.863 N/A LYS 254.A N ALA 258.A O no hydrogen 2.898 N/A GLY 257.A N LYS 254.A O no hydrogen 2.629 N/A ALA 258.A N ASN 256.A OD1 no hydrogen 3.016 N/A MET 259.A N TRP 229.A O no hydrogen 3.111 N/A ALA 260.A N TYR 252.A O no hydrogen 2.812 N/A GLY 262.A N MET 273.A O no hydrogen 2.925 N/A TRP 263.A NE1 THR 336.A OG1 no hydrogen 2.776 N/A VAL 264.A N TYR 271.A O no hydrogen 2.861 N/A VAL 266.A N GLU 269.A O no hydrogen 2.740 N/A GLU 269.A N VAL 266.A O no hydrogen 3.227 N/A TYR 271.A N VAL 264.A O no hydrogen 3.060 N/A TYR 271.A OH GLU 269.A OE1 no hydrogen 3.137 N/A MET 273.A N GLY 262.A O no hydrogen 2.995 N/A ASP 274.A N ALA 278.A O no hydrogen 2.689 N/A SER 276.A N ASP 274.A OD1 no hydrogen 2.722 N/A GLY 277.A N ASP 274.A O no hydrogen 2.854 N/A ALA 278.A N ASP 274.A OD1 no hydrogen 3.194 N/A MET 279.A N TRP 250.A O no hydrogen 2.912 N/A VAL 280.A N TYR 272.A O no hydrogen 2.758 N/A GLY 282.A N MET 293.A O no hydrogen 2.824 N/A VAL 284.A N TYR 291.A O no hydrogen 2.800 N/A LYS 285.A N LEU 334.A O no hydrogen 2.682 N/A LYS 285.A NZ GLU 330.A OE1 no hydrogen 3.020 N/A TYR 286.A N ASN 289.A O no hydrogen 2.769 N/A LYS 287.A N THR 336.A O no hydrogen 3.162 N/A ASN 289.A N TYR 286.A O no hydrogen 3.094 N/A TRP 290.A N PHE 305.A O no hydrogen 3.144 N/A TRP 290.A NE1 GLU 330.A OE1 no hydrogen 2.726 N/A TYR 291.A N VAL 284.A O no hydrogen 2.931 N/A TYR 291.A OH GLU 304.A OE2 no hydrogen 2.547 N/A TYR 292.A N ASN 303.A O no hydrogen 2.807 N/A MET 293.A N GLY 282.A O no hydrogen 2.927 N/A THR 294.A N VAL 301.A O no hydrogen 3.035 N/A GLY 298.A N ASN 295.A O no hydrogen 2.991 N/A ASN 299.A N GLU 296.A O no hydrogen 2.930 N/A ASN 299.A ND2 GLU 296.A O no hydrogen 3.468 N/A ASN 299.A ND2 GLU 296.A OE1 no hydrogen 3.535 N/A VAL 301.A N THR 294.A O no hydrogen 2.957 N/A SER 302.A OG TRP 270.A O no hydrogen 2.591 N/A ASN 303.A N TYR 292.A O no hydrogen 2.829 N/A ASN 303.A ND2 TYR 292.A O no hydrogen 3.017 N/A PHE 305.A N TRP 290.A O no hydrogen 2.808 N/A ILE 306.A N TYR 313.A O no hydrogen 2.691 N/A LYS 307.A N ASN 289.A OD1 no hydrogen 2.975 N/A LYS 307.A NZ GLU 162.A OE2 no hydrogen 3.162 N/A LYS 307.A NZ GLY 309.A O no hydrogen 2.686 N/A SER 308.A N GLY 311.A O no hydrogen 2.834 N/A GLY 311.A N SER 308.A O no hydrogen 3.346 N/A TRP 312.A N PHE 327.A O no hydrogen 2.982 N/A TRP 312.A NE1 ASN 288.A O no hydrogen 2.834 N/A TYR 313.A N ILE 306.A O no hydrogen 2.751 N/A PHE 314.A N SER 326.A OG no hydrogen 3.007 N/A MET 315.A N GLU 304.A O no hydrogen 2.932 N/A ASN 316.A N GLU 320.A O no hydrogen 2.849 N/A ASN 316.A ND2 GLU 320.A O no hydrogen 2.943 N/A GLY 319.A N ASN 316.A O no hydrogen 3.281 N/A SER 326.A N TRP 312.A O no hydrogen 2.776 N/A PHE 327.A N TRP 312.A O no hydrogen 3.469 N/A LEU 334.A N TRP 283.A O no hydrogen 3.176 N/A THR 336.A N LYS 285.A O no hydrogen 2.983 N/A THR 336.A OG1 LYS 285.A O no hydrogen 2.575 N/A VAL 337.A N ASN 4.A OD1 no hydrogen 2.840 N/A