Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cpx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 2.A ND2 GLU 12.A OE2 no hydrogen 3.063 N/A TYR 4.A N GLU 1.A O no hydrogen 3.034 N/A PHE 5.A N ASN 2.A O no hydrogen 3.048 N/A GLN 6.A NE2 PHE 5.A O no hydrogen 2.417 N/A LEU 9.A N GLN 6.A O no hydrogen 2.853 N/A LEU 9.A N GLY 7.A O no hydrogen 3.042 N/A GLU 12.A N GLN 8.A O no hydrogen 3.160 N/A LEU 13.A N LEU 9.A O no hydrogen 2.928 N/A CYS 14.A N LEU 10.A O no hydrogen 2.926 N/A CYS 14.A SG LEU 10.A O no hydrogen 3.045 N/A CYS 14.A SG PRO 147.A O no hydrogen 3.635 N/A CYS 14.A SG TYR 148.A O no hydrogen 3.840 N/A SER 15.A N GLU 12.A O no hydrogen 3.004 N/A SER 15.A OG LYS 11.A O no hydrogen 3.485 N/A SER 15.A OG GLU 12.A O no hydrogen 2.642 N/A ILE 16.A N GLU 12.A O no hydrogen 3.306 N/A ILE 16.A N LEU 13.A O no hydrogen 3.432 N/A SER 20.A N SER 73.A O no hydrogen 3.074 N/A SER 20.A OG ASP 72.A OD2 no hydrogen 2.410 N/A GLY 21.A N GLU 23.A OE2 no hydrogen 3.044 N/A ASN 22.A N PRO 19.A O no hydrogen 2.895 N/A ASN 22.A ND2 GLU 130.A OE2 no hydrogen 2.903 N/A GLU 23.A N GLU 23.A OE1 no hydrogen 2.632 N/A LEU 26.A N GLU 23.A O no hydrogen 2.780 N/A LYS 27.A N GLU 23.A O no hydrogen 3.058 N/A LYS 27.A NZ ASP 55.A OD1 no hydrogen 2.982 N/A ASP 28.A N GLU 24.A O no hydrogen 2.874 N/A PHE 29.A N PRO 25.A O no hydrogen 3.017 N/A ILE 30.A N LEU 26.A O no hydrogen 2.622 N/A LEU 31.A N LYS 27.A O no hydrogen 2.834 N/A GLU 32.A N ASP 28.A O no hydrogen 3.021 N/A TYR 33.A N PHE 29.A O no hydrogen 2.884 N/A TYR 33.A OH PHE 5.A O no hydrogen 3.158 N/A ILE 34.A N ILE 30.A O no hydrogen 2.832 N/A ARG 35.A N LEU 31.A O no hydrogen 2.951 N/A SER 36.A N TYR 33.A O no hydrogen 3.101 N/A SER 36.A OG GLU 32.A O no hydrogen 2.439 N/A SER 36.A OG TYR 33.A O no hydrogen 3.271 N/A ASN 37.A N TYR 33.A O no hydrogen 3.170 N/A ASN 37.A ND2 LEU 3.A O no hydrogen 3.229 N/A ASN 37.A ND2 TYR 33.A O no hydrogen 2.644 N/A ALA 38.A N ILE 34.A O no hydrogen 2.865 N/A SER 40.A N ASN 37.A O no hydrogen 2.815 N/A SER 40.A OG ASN 37.A O no hydrogen 2.622 N/A TRP 41.A N ALA 38.A O no hydrogen 3.151 N/A SER 42.A N LYS 163.A O no hydrogen 3.010 N/A SER 42.A OG LYS 163.A O no hydrogen 3.209 N/A GLN 44.A NE2 ALA 38.A O no hydrogen 2.696 N/A GLN 44.A NE2 TRP 41.A O no hydrogen 3.089 N/A VAL 46.A N VAL 60.A O no hydrogen 2.986 N/A TYR 48.A N VAL 58.A O no hydrogen 2.730 N/A LEU 53.A N ASP 50.A O no hydrogen 3.394 N/A GLN 54.A N ASN 51.A O no hydrogen 3.349 N/A CYS 56.A N LEU 53.A O no hydrogen 2.898 N/A CYS 56.A SG TYR 185.A OH no hydrogen 3.679 N/A ILE 57.A N PHE 172.A O no hydrogen 3.321 N/A VAL 58.A N TYR 48.A O no hydrogen 2.838 N/A LEU 59.A N ILE 170.A O no hydrogen 2.680 N/A VAL 60.A N VAL 46.A O no hydrogen 2.939 N/A PHE 61.A N GLY 168.A O no hydrogen 2.745 N/A ASN 63.A N HIS 167.A ND1 no hydrogen 3.047 N/A ARG 65.A NE LEU 302.A OXT no hydrogen 2.875 N/A ARG 65.A NH2 LEU 302.A OXT no hydrogen 2.766 N/A ALA 67.A N GLN 198.A O no hydrogen 2.802 N/A VAL 68.A N ILE 169.A O no hydrogen 2.803 N/A PHE 69.A N LEU 200.A O no hydrogen 2.995 N/A ALA 70.A N ALA 171.A O no hydrogen 2.945 N/A HIS 71.A N ASP 151.A OD2 no hydrogen 3.161 N/A HIS 71.A ND1 ASP 72.A O no hydrogen 2.943 N/A HIS 71.A NE2 ASP 203.A OD1 no hydrogen 2.981 N/A SER 73.A N ALA 18.A O no hydrogen 2.858 N/A SER 73.A OG ILE 74.A O no hydrogen 2.759 N/A GLY 75.A N ILE 87.A O no hydrogen 2.915 N/A PHE 76.A N VAL 131.A O no hydrogen 2.915 N/A THR 77.A N HIS 85.A O no hydrogen 2.837 N/A VAL 78.A N THR 129.A O no hydrogen 2.753 N/A SER 79.A N HIS 83.A O no hydrogen 2.886 N/A ASN 82.A ND2 ARG 123.A O no hydrogen 2.883 N/A HIS 83.A N TYR 80.A O no hydrogen 2.822 N/A LEU 84.A N TRP 118.A O no hydrogen 3.213 N/A HIS 85.A N THR 77.A O no hydrogen 2.864 N/A ILE 87.A N GLY 75.A O no hydrogen 2.685 N/A GLY 88.A N HIS 178.A ND1 no hydrogen 2.944 N/A SER 89.A OG HIS 279.A ND1 no hydrogen 2.948 N/A SER 91.A N HIS 279.A O no hydrogen 2.877 N/A SER 91.A OG TYR 96.A OH no hydrogen 3.036 N/A GLY 95.A N LEU 111.A O no hydrogen 2.933 N/A TYR 96.A N LYS 93.A O no hydrogen 3.126 N/A TYR 96.A OH SER 91.A OG no hydrogen 3.036 N/A ARG 97.A NH2 ASP 136.A OD2 no hydrogen 3.222 N/A LEU 98.A N GLY 109.A O no hydrogen 2.623 N/A VAL 99.A N THR 132.A O no hydrogen 2.621 N/A GLY 100.A N ILE 107.A O no hydrogen 3.020 N/A ASP 102.A N GLY 105.A O no hydrogen 2.884 N/A SER 103.A N ASP 126.A OD2 no hydrogen 2.957 N/A SER 103.A OG ASP 126.A OD1 no hydrogen 3.497 N/A SER 103.A OG ASP 126.A OD2 no hydrogen 2.610 N/A ASN 104.A N ASP 102.A OD1 no hydrogen 2.699 N/A GLY 105.A N ASP 102.A O no hydrogen 2.926 N/A ILE 107.A N GLY 100.A O no hydrogen 2.873 N/A GLY 109.A N LEU 98.A O no hydrogen 2.774 N/A VAL 110.A N GLU 120.A O no hydrogen 3.167 N/A LEU 111.A N TYR 96.A O no hydrogen 2.928 N/A ILE 113.A N GLU 94.A OE2 no hydrogen 2.651 N/A GLU 117.A N VAL 114.A O no hydrogen 2.756 N/A LEU 119.A N ASN 82.A O no hydrogen 2.881 N/A GLU 120.A N VAL 110.A O no hydrogen 2.883 N/A THR 121.A OG1 GLU 108.A O no hydrogen 2.596 N/A THR 121.A OG1 ASP 122.A OD1 no hydrogen 3.525 N/A ARG 123.A NH1 ASP 102.A OD1 no hydrogen 3.316 N/A ARG 123.A NH1 ASP 102.A OD2 no hydrogen 3.269 N/A ARG 123.A NH2 ASP 102.A OD1 no hydrogen 3.059 N/A ARG 123.A NH2 ASP 106.A O no hydrogen 2.925 N/A ILE 125.A N ASN 82.A OD1 no hydrogen 2.664 N/A ASP 126.A N ASP 102.A OD2 no hydrogen 2.889 N/A GLY 128.A N VAL 78.A O no hydrogen 2.797 N/A THR 129.A N ASP 126.A O no hydrogen 3.359 N/A THR 129.A OG1 ASP 126.A O no hydrogen 2.602 N/A GLU 130.A N GLU 130.A OE1 no hydrogen 2.704 N/A VAL 131.A N PHE 76.A O no hydrogen 2.586 N/A THR 132.A N VAL 99.A O no hydrogen 2.764 N/A THR 132.A OG1 HIS 17.A ND1 no hydrogen 2.992 N/A PHE 133.A N TYR 148.A OH no hydrogen 2.747 N/A LYS 134.A N ARG 97.A O no hydrogen 2.880 N/A ARG 138.A N LEU 145.A O no hydrogen 2.877 N/A ARG 138.A NE ASP 136.A O no hydrogen 2.902 N/A ARG 138.A NE LEU 145.A O no hydrogen 3.118 N/A ARG 138.A NH1 ASN 282.A OD1 no hydrogen 3.246 N/A ARG 138.A NH2 ASP 136.A O no hydrogen 3.234 N/A ARG 138.A NH2 PRO 281.A O no hydrogen 2.886 N/A ARG 138.A NH2 ASN 282.A OD1 no hydrogen 3.258 N/A GLU 140.A N PHE 143.A O no hydrogen 2.752 N/A PHE 143.A N GLU 140.A O no hydrogen 3.290 N/A ILE 144.A N VAL 285.A O no hydrogen 2.904 N/A LEU 145.A N ARG 138.A O no hydrogen 2.967 N/A THR 146.A N GLU 283.A O no hydrogen 2.845 N/A THR 146.A OG1 PRO 147.A O no hydrogen 2.740 N/A TYR 148.A OH ILE 74.A O no hydrogen 2.920 N/A ASP 150.A N GLU 283.A OE1 no hydrogen 2.836 N/A ARG 152.A N TYR 148.A O no hydrogen 3.085 N/A ARG 152.A NH1 LEU 13.A O no hydrogen 2.982 N/A ARG 152.A NH1 ILE 16.A O no hydrogen 2.874 N/A LEU 153.A N LEU 149.A O no hydrogen 2.739 N/A GLY 154.A N ASP 151.A O no hydrogen 2.870 N/A VAL 155.A N ASP 151.A O no hydrogen 2.946 N/A TRP 156.A N ARG 152.A O no hydrogen 2.866 N/A TRP 156.A NE1 GLY 7.A O no hydrogen 2.876 N/A THR 157.A N LEU 153.A O no hydrogen 2.803 N/A THR 157.A OG1 LEU 153.A O no hydrogen 2.725 N/A ALA 158.A N GLY 154.A O no hydrogen 2.802 N/A LEU 159.A N VAL 155.A O no hydrogen 2.949 N/A GLU 160.A N TRP 156.A O no hydrogen 2.996 N/A LEU 161.A N THR 157.A O no hydrogen 2.852 N/A ALA 162.A N ALA 158.A O no hydrogen 3.055 N/A LYS 163.A N GLU 160.A O no hydrogen 2.804 N/A LYS 163.A NZ GLN 6.A OE1 no hydrogen 2.501 N/A LYS 163.A NZ GLU 160.A OE2 no hydrogen 2.664 N/A THR 164.A N LEU 161.A O no hydrogen 3.101 N/A THR 164.A OG1 LEU 161.A O no hydrogen 3.520 N/A LEU 165.A N LEU 161.A O no hydrogen 2.778 N/A HIS 167.A ND1 ASN 63.A O no hydrogen 3.000 N/A GLY 168.A N PHE 61.A O no hydrogen 3.043 N/A ILE 169.A N THR 66.A O no hydrogen 2.934 N/A ILE 170.A N LEU 59.A O no hydrogen 2.959 N/A ALA 171.A N VAL 68.A O no hydrogen 2.786 N/A PHE 172.A N ILE 57.A O no hydrogen 2.831 N/A THR 173.A N ALA 70.A O no hydrogen 2.658 N/A THR 173.A OG1 ALA 70.A O no hydrogen 3.231 N/A THR 173.A OG1 ASP 255.A OD2 no hydrogen 2.580 N/A CYS 174.A N SER 182.A OG no hydrogen 2.992 N/A TRP 175.A N GLU 23.A OE2 no hydrogen 2.820 N/A GLU 176.A N ASP 72.A OD1 no hydrogen 2.863 N/A GLU 177.A N ASP 72.A OD2 no hydrogen 2.730 N/A HIS 178.A N TRP 175.A O no hydrogen 2.859 N/A GLY 180.A N TRP 175.A O no hydrogen 2.682 N/A GLY 181.A N GLU 258.A OE1 no hydrogen 3.344 N/A GLY 181.A N GLU 258.A OE2 no hydrogen 2.921 N/A SER 182.A OG CYS 174.A O no hydrogen 2.885 N/A ALA 184.A N GLU 258.A OE2 no hydrogen 2.950 N/A TYR 185.A N SER 182.A O no hydrogen 3.028 N/A TYR 185.A OH GLN 54.A OE1 no hydrogen 2.610 N/A LEU 186.A N SER 182.A O no hydrogen 3.139 N/A ALA 187.A N VAL 183.A O no hydrogen 2.652 N/A ARG 188.A N ALA 184.A O no hydrogen 3.390 N/A TRP 189.A N TYR 185.A O no hydrogen 3.001 N/A ILE 190.A N LEU 186.A O no hydrogen 2.812 N/A TYR 191.A N ALA 187.A O no hydrogen 3.310 N/A GLU 192.A N ARG 188.A O no hydrogen 2.919 N/A THR 193.A N TRP 189.A O no hydrogen 2.978 N/A THR 193.A OG1 TRP 189.A O no hydrogen 2.526 N/A PHE 194.A N ILE 190.A O no hydrogen 2.924 N/A GLN 198.A NE2 ARG 65.A O no hydrogen 3.289 N/A GLN 198.A NE2 THR 66.A OG1 no hydrogen 2.756 N/A GLN 198.A NE2 LEU 302.A O no hydrogen 3.248 N/A SER 199.A OG ASP 267.A O no hydrogen 2.794 N/A LEU 200.A N ALA 67.A O no hydrogen 2.874 N/A ILE 201.A N CYS 269.A O no hydrogen 2.853 N/A CYS 202.A N PHE 69.A O no hydrogen 2.734 N/A CYS 202.A SG GLY 154.A O no hydrogen 3.527 N/A ILE 204.A N ASP 203.A OD1 no hydrogen 2.816 N/A THR 205.A N ALA 273.A O no hydrogen 3.006 N/A THR 205.A OG1 GLU 247.A OE1 no hydrogen 2.241 N/A VAL 207.A N GLU 275.A O no hydrogen 2.784 N/A THR 208.A N VAL 211.A O no hydrogen 2.667 N/A GLU 209.A N GLU 209.A OE2 no hydrogen 2.725 N/A VAL 211.A N THR 208.A O no hydrogen 2.992 N/A GLU 212.A N GLN 245.A OE1 no hydrogen 2.845 N/A GLY 214.A N ASP 289.A OD2 no hydrogen 2.737 N/A LYS 215.A N GLU 212.A O no hydrogen 3.142 N/A GLY 216.A N ASP 289.A OD1 no hydrogen 2.778 N/A ALA 218.A N GLY 272.A O no hydrogen 2.812 N/A ILE 219.A N GLN 245.A O no hydrogen 2.865 N/A SER 220.A N PHE 270.A O no hydrogen 2.807 N/A SER 220.A OG GLU 247.A OE2 no hydrogen 2.471 N/A ARG 221.A NE ASP 222.A O no hydrogen 3.092 N/A ARG 221.A NE GLU 249.A O no hydrogen 2.949 N/A ARG 221.A NH2 ASP 222.A O no hydrogen 2.800 N/A ARG 223.A N GLY 252.A O no hydrogen 2.893 N/A ARG 226.A NE ASP 267.A OD1 no hydrogen 2.743 N/A ARG 226.A NH2 ASP 267.A OD1 no hydrogen 3.112 N/A ARG 226.A NH2 ASP 267.A OD2 no hydrogen 2.571 N/A TYR 229.A N ARG 226.A O no hydrogen 2.978 N/A TYR 229.A OH SER 199.A O no hydrogen 2.759 N/A VAL 230.A N ARG 226.A O no hydrogen 3.071 N/A ASN 231.A N LYS 227.A O no hydrogen 2.782 N/A ARG 232.A N LYS 228.A O no hydrogen 3.140 N/A ARG 232.A NH2 GLN 198.A OE1 no hydrogen 2.536 N/A ILE 233.A N TYR 229.A O no hydrogen 3.068 N/A ILE 234.A N VAL 230.A O no hydrogen 3.011 N/A GLU 235.A N ASN 231.A O no hydrogen 2.851 N/A LEU 236.A N ARG 232.A O no hydrogen 3.107 N/A ALA 237.A N ILE 233.A O no hydrogen 2.969 N/A ARG 238.A N ILE 234.A O no hydrogen 3.000 N/A ARG 238.A N GLU 235.A O no hydrogen 3.133 N/A GLN 239.A N LEU 236.A O no hydrogen 2.880 N/A THR 240.A N ALA 237.A O no hydrogen 3.074 N/A GLN 245.A N VAL 217.A O no hydrogen 2.736 N/A GLN 245.A NE2 GLU 212.A O no hydrogen 2.584 N/A GLN 245.A NE2 GLY 216.A O no hydrogen 3.002 N/A GLU 247.A N ILE 219.A O no hydrogen 2.858 N/A GLU 249.A N ARG 221.A O no hydrogen 2.902 N/A GLY 256.A N SER 254.A OG no hydrogen 2.870 N/A ARG 257.A N SER 254.A O no hydrogen 2.950 N/A GLU 258.A N ASP 255.A O no hydrogen 3.135 N/A LEU 259.A N ASP 255.A O no hydrogen 3.216 N/A GLN 260.A N GLY 256.A O no hydrogen 2.865 N/A LEU 261.A N ARG 257.A O no hydrogen 2.992 N/A SER 262.A N LEU 259.A O no hydrogen 3.085 N/A SER 262.A OG LEU 259.A O no hydrogen 2.754 N/A TYR 264.A N SER 262.A OG no hydrogen 3.029 N/A TRP 266.A N TYR 264.A O no hydrogen 2.683 N/A TRP 266.A NE1 ALA 187.A O no hydrogen 3.185 N/A ASP 267.A N LYS 197.A O no hydrogen 2.786 N/A TRP 268.A NE1 GLN 260.A OE1 no hydrogen 2.919 N/A CYS 269.A SG SER 220.A O no hydrogen 3.837 N/A CYS 269.A SG PHE 270.A O no hydrogen 3.968 N/A ILE 271.A N ILE 201.A O no hydrogen 2.995 N/A GLY 272.A N ALA 218.A O no hydrogen 2.931 N/A GLU 275.A N THR 205.A O no hydrogen 2.747 N/A LYS 276.A N CYS 284.A O no hydrogen 2.891 N/A HIS 279.A N GLU 283.A OE2 no hydrogen 2.821 N/A HIS 279.A ND1 SER 89.A O no hydrogen 2.789 N/A HIS 279.A NE2 ASP 150.A OD2 no hydrogen 3.072 N/A THR 280.A N ASP 277.A O no hydrogen 3.149 N/A THR 280.A OG1 ASP 277.A O no hydrogen 2.591 N/A ASN 282.A N THR 280.A OG1 no hydrogen 2.971 N/A CYS 284.A N LYS 276.A O no hydrogen 3.045 N/A CYS 284.A SG ILE 144.A O no hydrogen 3.963 N/A VAL 285.A N ILE 144.A O no hydrogen 2.961 N/A LYS 287.A N ASP 142.A O no hydrogen 2.652 N/A LYS 287.A NZ GLU 139.A OE2 no hydrogen 3.253 N/A LYS 288.A N HIS 286.A ND1 no hydrogen 3.071 N/A ASP 289.A N HIS 286.A O no hydrogen 2.766 N/A ILE 290.A N HIS 286.A O no hydrogen 3.352 N/A ILE 290.A N LYS 287.A O no hydrogen 2.974 N/A GLU 291.A N LYS 287.A O no hydrogen 3.037 N/A SER 292.A N LYS 288.A O no hydrogen 3.072 N/A SER 292.A OG LYS 288.A O no hydrogen 2.670 N/A GLY 294.A N GLU 291.A O no hydrogen 3.117 N/A LEU 295.A N SER 292.A O no hydrogen 2.828 N/A TYR 296.A OH ILE 271.A O no hydrogen 2.435 N/A LYS 297.A N VAL 293.A O no hydrogen 2.958 N/A TYR 298.A N GLY 294.A O no hydrogen 3.115 N/A TYR 298.A OH GLN 239.A OE1 no hydrogen 2.804 N/A LEU 299.A N LEU 295.A O no hydrogen 2.810 N/A LYS 301.A N TYR 298.A O no hydrogen 2.986 N/A LEU 302.A N LEU 299.A O no hydrogen 2.762 N/A