Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4qu2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 6.A N SER 2.A O no hydrogen 3.359 N/A ALA 7.A N MET 3.A O no hydrogen 3.014 N/A LEU 8.A N ALA 4.A O no hydrogen 3.274 N/A GLU 9.A N GLU 5.A O no hydrogen 3.348 N/A ALA 10.A N ALA 6.A O no hydrogen 3.173 N/A VAL 11.A N ALA 7.A O no hydrogen 2.911 N/A ARG 12.A N LEU 8.A O no hydrogen 2.819 N/A ARG 12.A NE THR 315.A O no hydrogen 3.055 N/A ARG 12.A NH2 THR 315.A O no hydrogen 3.189 N/A ARG 13.A N GLU 9.A O no hydrogen 2.792 N/A ALA 14.A N ALA 10.A O no hydrogen 3.301 N/A LEU 15.A N VAL 11.A O no hydrogen 3.155 N/A GLN 16.A N ARG 12.A O no hydrogen 2.764 N/A GLU 17.A N ARG 13.A O no hydrogen 3.078 N/A PHE 18.A N ALA 14.A O no hydrogen 3.052 N/A ALA 21.A N GLU 17.A O no hydrogen 3.063 N/A ALA 22.A N PHE 18.A O no hydrogen 2.704 N/A ARG 23.A N PRO 19.A O no hydrogen 3.008 N/A ARG 23.A NH2 ASP 204.A OD1 no hydrogen 2.881 N/A ARG 23.A NH2 GLN 257.A O no hydrogen 3.279 N/A ASP 24.A N ALA 20.A O no hydrogen 3.178 N/A ASN 26.A N ALA 22.A O no hydrogen 2.800 N/A ASN 26.A ND2 PRO 50.A O no hydrogen 2.477 N/A VAL 27.A N ARG 23.A O no hydrogen 3.203 N/A LEU 34.A N ILE 55.A O no hydrogen 2.854 N/A CYS 42.A N SER 39.A OG no hydrogen 3.146 N/A CYS 42.A SG SER 39.A OG no hydrogen 3.288 N/A PHE 43.A N SER 39.A O no hydrogen 2.702 N/A TYR 44.A N PRO 40.A O no hydrogen 3.223 N/A TYR 44.A N LEU 41.A O no hydrogen 3.141 N/A ARG 45.A N LEU 41.A O no hydrogen 2.922 N/A ASP 46.A N CYS 42.A O no hydrogen 2.861 N/A VAL 48.A N PHE 43.A O no hydrogen 3.105 N/A CYS 49.A N TYR 44.A O no hydrogen 2.881 N/A ASN 51.A N VAL 48.A O no hydrogen 3.181 N/A ASN 51.A ND2 ALA 275.A O no hydrogen 3.495 N/A ARG 52.A N TRP 47.A O no hydrogen 2.805 N/A ARG 52.A NE ASN 26.A O no hydrogen 2.596 N/A ILE 55.A N PRO 32.A O no hydrogen 3.029 N/A ILE 56.A N MET 270.A O no hydrogen 2.462 N/A ARG 57.A N LEU 34.A O no hydrogen 2.773 N/A ARG 57.A NE GLU 269.A OE2 no hydrogen 3.322 N/A ASN 58.A ND2 ASP 35.A O no hydrogen 2.793 N/A TRP 63.A N LEU 60.A O no hydrogen 3.251 N/A TRP 63.A NE1 GLU 149.A OE1 no hydrogen 3.193 N/A ALA 65.A N ASP 147.A O no hydrogen 3.020 N/A GLN 67.A N PRO 64.A O no hydrogen 2.984 N/A LYS 68.A N PRO 64.A O no hydrogen 3.120 N/A LYS 68.A N ALA 65.A O no hydrogen 3.238 N/A LYS 68.A NZ TYR 73.A OH no hydrogen 3.314 N/A LYS 68.A NZ ASP 147.A OD1 no hydrogen 2.850 N/A TRP 69.A N ALA 65.A O no hydrogen 2.864 N/A TRP 69.A NE1 ASP 147.A OD2 no hydrogen 2.935 N/A SER 70.A N LYS 68.A O no hydrogen 2.745 N/A SER 70.A OG SER 72.A OG no hydrogen 2.550 N/A SER 72.A OG SER 70.A OG no hydrogen 2.550 N/A TYR 73.A N SER 70.A OG no hydrogen 2.937 N/A TYR 73.A OH ASP 147.A OD2 no hydrogen 3.190 N/A LEU 74.A N SER 70.A O no hydrogen 3.165 N/A ARG 75.A N LEU 71.A O no hydrogen 3.476 N/A ARG 75.A NH1 GLU 119.A OE1 no hydrogen 2.701 N/A ARG 75.A NH1 GLU 119.A OE2 no hydrogen 3.120 N/A ARG 75.A NH2 SER 112.A O no hydrogen 3.376 N/A ARG 75.A NH2 GLU 119.A OE1 no hydrogen 2.979 N/A ALA 76.A N SER 72.A O no hydrogen 3.035 N/A THR 77.A N TYR 73.A O no hydrogen 2.726 N/A THR 77.A OG1 TYR 73.A O no hydrogen 2.775 N/A VAL 78.A N LEU 74.A O no hydrogen 2.734 N/A GLY 79.A N ARG 75.A O no hydrogen 3.221 N/A THR 81.A N VAL 78.A O no hydrogen 3.180 N/A THR 81.A OG1 VAL 78.A O no hydrogen 3.497 N/A VAL 83.A N LEU 109.A O no hydrogen 2.763 N/A SER 84.A N GLU 140.A OE1 no hydrogen 2.935 N/A SER 84.A OG GLU 140.A OE2 no hydrogen 2.564 N/A VAL 85.A N ARG 107.A O no hydrogen 2.679 N/A ALA 86.A N TYR 129.A O no hydrogen 2.929 N/A VAL 87.A N ALA 105.A O no hydrogen 2.749 N/A THR 88.A N VAL 127.A O no hydrogen 3.107 N/A ALA 95.A N VAL 102.A O no hydrogen 3.290 N/A ARG 97.A N ARG 100.A O no hydrogen 2.943 N/A ARG 100.A N ARG 97.A O no hydrogen 3.222 N/A ARG 100.A NE ASP 99.A O no hydrogen 2.727 N/A PHE 101.A N THR 214.A O no hydrogen 3.063 N/A VAL 102.A N ALA 95.A O no hydrogen 2.928 N/A MET 103.A N ALA 216.A O no hydrogen 2.698 N/A ALA 105.A N VAL 87.A O no hydrogen 3.074 N/A ARG 107.A N VAL 85.A O no hydrogen 2.836 N/A ARG 107.A NH1 LEU 220.A O no hydrogen 3.345 N/A LEU 109.A N VAL 83.A O no hydrogen 3.085 N/A ILE 111.A N THR 81.A O no hydrogen 2.909 N/A SER 112.A N GLY 79.A O no hydrogen 2.851 N/A SER 112.A OG GLY 79.A O no hydrogen 3.030 N/A HIS 113.A N PRO 110.A O no hydrogen 3.126 N/A VAL 114.A N PRO 110.A O no hydrogen 3.346 N/A LEU 115.A N ILE 111.A O no hydrogen 2.864 N/A ASP 116.A N SER 112.A O no hydrogen 3.025 N/A VAL 117.A N HIS 113.A O no hydrogen 3.088 N/A LEU 118.A N VAL 114.A O no hydrogen 3.250 N/A GLU 119.A N LEU 115.A O no hydrogen 2.814 N/A GLY 120.A N ASP 116.A O no hydrogen 2.954 N/A ARG 121.A NH1 ASP 116.A OD1 no hydrogen 2.840 N/A ALA 122.A N ASP 116.A O no hydrogen 3.298 N/A HIS 124.A ND1 PRO 125.A O no hydrogen 2.795 N/A VAL 127.A N THR 88.A O no hydrogen 2.552 N/A TYR 129.A N ALA 86.A O no hydrogen 3.105 N/A VAL 130.A N LEU 170.A O no hydrogen 2.845 N/A CYS 134.A SG GLN 133.A O no hydrogen 2.395 N/A SER 135.A N ASN 167.A OD1 no hydrogen 2.694 N/A ASN 136.A ND2 PHE 168.A O no hydrogen 3.040 N/A LEU 137.A N VAL 166.A O no hydrogen 3.322 N/A THR 139.A OG1 SER 135.A O no hydrogen 2.389 N/A GLU 140.A N ASN 136.A O no hydrogen 2.694 N/A LEU 141.A N LEU 137.A O no hydrogen 2.988 N/A GLN 143.A N GLN 143.A OE1 no hydrogen 2.846 N/A GLN 143.A NE2 THR 81.A OG1 no hydrogen 3.053 N/A LEU 144.A N LEU 141.A O no hydrogen 3.154 N/A LEU 145.A N PRO 142.A O no hydrogen 3.170 N/A SER 146.A OG GLN 143.A O no hydrogen 3.023 N/A ASP 147.A N LEU 144.A O no hydrogen 3.071 N/A ILE 148.A N LEU 145.A O no hydrogen 3.278 N/A VAL 152.A N TYR 294.A OH no hydrogen 3.200 N/A ALA 155.A N VAL 152.A O no hydrogen 3.085 N/A SER 156.A N VAL 152.A O no hydrogen 2.823 N/A SER 156.A OG HIS 151.A ND1 no hydrogen 3.048 N/A SER 156.A OG VAL 152.A O no hydrogen 2.924 N/A SER 156.A OG TYR 294.A OH no hydrogen 2.501 N/A GLU 157.A N PRO 153.A O no hydrogen 2.944 N/A SER 158.A N TRP 154.A O no hydrogen 3.067 N/A SER 158.A OG PRO 40.A O no hydrogen 2.534 N/A LEU 159.A N ALA 155.A O no hydrogen 2.747 N/A LYS 161.A N SER 156.A O no hydrogen 2.974 N/A LYS 161.A NZ ASP 295.A O no hydrogen 2.916 N/A ASP 164.A N TRP 293.A O no hydrogen 2.503 N/A ALA 165.A N TRP 293.A O no hydrogen 3.350 N/A VAL 166.A N SER 135.A OG no hydrogen 3.097 N/A ASN 167.A N ASN 291.A O no hydrogen 2.975 N/A ASN 167.A ND2 ASN 291.A OD1 no hydrogen 3.383 N/A PHE 168.A N ASN 136.A OD1 no hydrogen 2.564 N/A TRP 169.A N ALA 289.A O no hydrogen 2.855 N/A TRP 169.A NE1 ASN 291.A OD1 no hydrogen 2.465 N/A LEU 170.A N VAL 130.A O no hydrogen 3.181 N/A ASP 172.A N LEU 128.A O no hydrogen 3.481 N/A ALA 173.A N HIS 285.A ND1 no hydrogen 3.347 N/A SER 174.A N ASP 172.A OD1 no hydrogen 3.468 N/A ALA 175.A N ASP 172.A O no hydrogen 3.072 N/A VAL 176.A N GLY 91.A O no hydrogen 2.734 N/A THR 177.A N VAL 281.A O no hydrogen 2.917 N/A HIS 180.A N HIS 279.A O no hydrogen 3.402 N/A HIS 183.A ND1 HIS 183.A O no hydrogen 2.522 N/A GLU 185.A N TYR 294.A O no hydrogen 2.796 N/A ASN 186.A N LEU 273.A O no hydrogen 2.873 N/A LEU 187.A N PHE 292.A O no hydrogen 3.197 N/A TYR 188.A N LEU 271.A O no hydrogen 2.828 N/A CYS 189.A N VAL 290.A O no hydrogen 2.831 N/A CYS 189.A SG LEU 187.A O no hydrogen 3.901 N/A VAL 190.A N GLU 269.A O no hydrogen 3.502 N/A VAL 191.A N ILE 288.A O no hydrogen 2.779 N/A SER 192.A N ILE 288.A O no hydrogen 3.233 N/A GLU 194.A N SER 284.A OG no hydrogen 2.837 N/A LYS 195.A N VAL 265.A O no hydrogen 3.025 N/A LYS 195.A NZ TYR 129.A OH no hydrogen 3.446 N/A LYS 195.A NZ GLN 283.A OE1 no hydrogen 3.089 N/A HIS 196.A N GLN 282.A O no hydrogen 2.624 N/A HIS 196.A ND1 THR 264.A OG1 no hydrogen 3.046 N/A PHE 197.A N CYS 263.A O no hydrogen 3.010 N/A LEU 198.A N HIS 280.A O no hydrogen 2.868 N/A LEU 199.A N LEU 261.A O no hydrogen 2.766 N/A HIS 200.A N PHE 278.A O no hydrogen 2.783 N/A HIS 200.A ND1 ASP 204.A OD2 no hydrogen 2.951 N/A HIS 200.A NE2 TYR 255.A OH no hydrogen 3.033 N/A ASP 204.A N PRO 201.A O no hydrogen 2.958 N/A ARG 205.A N PRO 202.A O no hydrogen 3.176 N/A ARG 205.A NE ASP 309.A OD1 no hydrogen 2.832 N/A ARG 205.A NH1 ARG 205.A O no hydrogen 3.073 N/A ARG 205.A NH2 ASP 309.A OD1 no hydrogen 3.097 N/A ARG 205.A NH2 ASP 318.A O no hydrogen 3.527 N/A PHE 207.A N ASP 204.A O no hydrogen 2.959 N/A ILE 208.A N ARG 205.A O no hydrogen 3.095 N/A TYR 210.A N ASP 318.A O no hydrogen 3.495 N/A ASN 211.A N TRP 239.A O no hydrogen 3.244 N/A TYR 213.A N VAL 237.A O no hydrogen 3.176 N/A ALA 216.A N PHE 101.A O no hydrogen 2.813 N/A THR 217.A N VAL 229.A O no hydrogen 3.063 N/A THR 217.A OG1 GLU 231.A OE2 no hydrogen 2.677 N/A TYR 218.A N MET 103.A O no hydrogen 3.012 N/A GLN 219.A N ARG 227.A O no hydrogen 2.979 N/A THR 221.A N THR 225.A O no hydrogen 2.962 N/A THR 221.A OG1 THR 225.A O no hydrogen 3.378 N/A GLY 224.A N THR 221.A O no hydrogen 3.186 N/A ARG 227.A N GLN 219.A O no hydrogen 3.076 N/A VAL 229.A N THR 217.A O no hydrogen 3.330 N/A GLU 231.A N PRO 215.A O no hydrogen 3.250 N/A LYS 236.A N GLU 235.A OE1 no hydrogen 2.840 N/A LYS 236.A NZ THR 214.A OG1 no hydrogen 3.380 N/A VAL 237.A N TYR 213.A O no hydrogen 3.102 N/A TRP 239.A N ASN 211.A O no hydrogen 3.144 N/A LEU 245.A N ASP 243.A OD1 no hydrogen 3.146 N/A THR 250.A OG1 ASP 248.A OD1 no hydrogen 2.799 N/A GLN 251.A N ASP 248.A O no hydrogen 3.289 N/A TYR 252.A N ASP 248.A O no hydrogen 2.964 N/A TYR 255.A N TYR 252.A O no hydrogen 3.279 N/A TYR 255.A OH HIS 200.A NE2 no hydrogen 3.033 N/A SER 256.A N PRO 253.A O no hydrogen 3.030 N/A SER 256.A OG PRO 253.A O no hydrogen 2.279 N/A GLN 257.A N SER 254.A O no hydrogen 2.980 N/A ALA 258.A N TYR 255.A O no hydrogen 2.985 N/A LEU 261.A N LEU 199.A O no hydrogen 2.784 N/A CYS 263.A N PHE 197.A O no hydrogen 3.213 N/A THR 264.A OG1 HIS 196.A ND1 no hydrogen 3.046 N/A VAL 265.A N LYS 195.A O no hydrogen 2.876 N/A ARG 266.A N GLU 269.A OE1 no hydrogen 3.119 N/A GLY 268.A N VAL 190.A O no hydrogen 3.032 N/A GLU 269.A N ARG 266.A O no hydrogen 2.997 N/A MET 270.A N ILE 56.A O no hydrogen 2.949 N/A LEU 271.A N TYR 188.A O no hydrogen 2.859 N/A TYR 272.A N CYS 54.A O no hydrogen 2.735 N/A TYR 272.A OH GLU 185.A OE1 no hydrogen 2.434 N/A LEU 273.A N ASN 186.A O no hydrogen 2.654 N/A ALA 275.A N GLU 185.A OE1 no hydrogen 3.158 N/A LEU 276.A N ASP 182.A O no hydrogen 2.956 N/A TRP 277.A N PRO 274.A O no hydrogen 3.302 N/A TRP 277.A NE1 ASN 51.A O no hydrogen 2.946 N/A PHE 278.A N HIS 200.A O no hydrogen 2.842 N/A HIS 279.A N HIS 180.A O no hydrogen 3.042 N/A HIS 279.A ND1 TRP 277.A O no hydrogen 3.000 N/A HIS 280.A N LEU 198.A O no hydrogen 2.801 N/A VAL 281.A N THR 177.A O no hydrogen 2.823 N/A GLN 282.A N HIS 196.A O no hydrogen 2.905 N/A GLN 283.A NE2 ALA 175.A O no hydrogen 3.232 N/A SER 284.A N GLU 194.A O no hydrogen 2.945 N/A SER 284.A OG GLU 194.A O no hydrogen 3.456 N/A HIS 285.A NE2 LEU 118.A O no hydrogen 2.715 N/A GLY 286.A N GLY 171.A O no hydrogen 2.976 N/A CYS 287.A N SER 284.A O no hydrogen 3.335 N/A CYS 287.A SG SER 192.A O no hydrogen 3.332 N/A ILE 288.A N SER 192.A O no hydrogen 2.806 N/A ALA 289.A N TRP 169.A O no hydrogen 2.853 N/A VAL 290.A N CYS 189.A O no hydrogen 2.595 N/A ASN 291.A N ASN 167.A O no hydrogen 3.274 N/A ASN 291.A ND2 ASN 186.A OD1 no hydrogen 2.874 N/A PHE 292.A N LEU 187.A O no hydrogen 3.000 N/A TRP 293.A N ALA 165.A O no hydrogen 2.881 N/A TYR 294.A N GLU 185.A O no hydrogen 3.138 N/A TYR 294.A OH SER 156.A OG no hydrogen 2.501 N/A MET 296.A N HIS 183.A O no hydrogen 3.092 N/A TYR 298.A OH ASP 295.A OD1 no hydrogen 3.016 N/A ASP 299.A N GLU 297.A O no hydrogen 3.070 N/A LYS 301.A NZ VAL 48.A O no hydrogen 3.373 N/A LYS 301.A NZ CYS 49.A O no hydrogen 3.175 N/A TYR 302.A N ASP 299.A O no hydrogen 2.782 N/A SER 303.A N ASP 299.A O no hydrogen 3.238 N/A TYR 304.A N LEU 300.A O no hydrogen 2.750 N/A PHE 305.A N LYS 301.A O no hydrogen 3.161 N/A GLN 306.A N TYR 302.A O no hydrogen 3.114 N/A LEU 307.A N SER 303.A O no hydrogen 3.186 N/A MET 308.A N TYR 304.A O no hydrogen 3.089 N/A ASP 309.A N PHE 305.A O no hydrogen 2.907 N/A THR 310.A N GLN 306.A O no hydrogen 3.061 N/A THR 310.A OG1 GLN 306.A O no hydrogen 2.837 N/A LEU 311.A N LEU 307.A O no hydrogen 2.715 N/A THR 312.A N MET 308.A O no hydrogen 2.953 N/A THR 312.A OG1 MET 308.A O no hydrogen 2.586 N/A ARG 313.A N ASP 309.A O no hydrogen 3.120 N/A ARG 313.A NH2 TYR 210.A O no hydrogen 2.478 N/A ALA 314.A N THR 310.A O no hydrogen 2.903 N/A THR 315.A N LEU 311.A O no hydrogen 3.090 N/A THR 315.A OG1 LEU 311.A O no hydrogen 2.791 N/A THR 315.A OG1 THR 312.A O no hydrogen 3.433 N/A GLY 316.A N ARG 313.A O no hydrogen 2.913 N/A LEU 317.A N THR 312.A O no hydrogen 3.011 N/A