Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3n4l_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 5.A N PHE 2.A O no hydrogen 2.926 N/A VAL 6.A N VAL 3.A O no hydrogen 3.249 N/A ASP 7.A N SER 164.A OG no hydrogen 3.169 N/A ASN 8.A ND2 HIS 92.A O no hydrogen 2.902 N/A ASN 8.A ND2 MET 165.A O no hydrogen 3.177 N/A LEU 9.A N GLY 163.A O no hydrogen 3.251 N/A ARG 10.A N TYR 18.A O no hydrogen 3.261 N/A ARG 10.A NH2 ASP 7.A O no hydrogen 3.238 N/A ARG 10.A NH2 LEU 9.A O no hydrogen 2.878 N/A GLY 11.A N VAL 161.A O no hydrogen 3.215 N/A GLN 15.A N LYS 12.A O no hydrogen 3.219 N/A TYR 17.A OH CYS 158.A O no hydrogen 3.155 N/A TYR 17.A OH GLU 328.A OE1 no hydrogen 2.711 N/A TYR 18.A N ARG 10.A O no hydrogen 2.760 N/A VAL 19.A N ILE 32.A O no hydrogen 2.836 N/A MET 21.A N LEU 30.A O no hydrogen 2.934 N/A THR 22.A N SER 89.A O no hydrogen 2.669 N/A VAL 23.A N GLN 28.A O no hydrogen 2.733 N/A GLY 24.A N LEU 87.A O no hydrogen 2.893 N/A SER 25.A N SER 60.A OG no hydrogen 3.233 N/A SER 25.A OG THR 62.A OG1 no hydrogen 2.695 N/A GLN 28.A N VAL 23.A O no hydrogen 2.673 N/A GLN 28.A NE2 GLN 56.A O no hydrogen 3.382 N/A LEU 30.A N MET 21.A O no hydrogen 2.961 N/A ASN 31.A N GLU 119.A OE2 no hydrogen 2.800 N/A ASN 31.A ND2 ASN 117.A O no hydrogen 2.654 N/A ILE 32.A N VAL 19.A O no hydrogen 2.864 N/A LEU 33.A N GLY 120.A O no hydrogen 2.892 N/A VAL 34.A N TYR 17.A O no hydrogen 2.828 N/A ASP 35.A N LEU 122.A O no hydrogen 2.800 N/A THR 36.A N SER 220.A OG no hydrogen 3.005 N/A THR 36.A OG1 VAL 218.A O no hydrogen 2.723 N/A GLY 37.A N ASP 35.A OD2 no hydrogen 2.595 N/A SER 38.A OG ASP 35.A OD1 no hydrogen 2.541 N/A SER 39.A OG TYR 126.A O no hydrogen 2.569 N/A ASN 40.A ND2 ARG 131.A O no hydrogen 3.369 N/A ALA 42.A N ILE 121.A O no hydrogen 3.007 N/A VAL 43.A N ALA 103.A O no hydrogen 2.975 N/A GLY 44.A N GLU 119.A O no hydrogen 3.023 N/A ALA 45.A N ILE 105.A O no hydrogen 2.921 N/A PHE 50.A N HIS 48.A ND1 no hydrogen 2.927 N/A TYR 55.A N GLY 44.A O no hydrogen 2.978 N/A TYR 55.A OH ASP 86.A OD2 no hydrogen 2.914 N/A ARG 57.A NH1 GLU 82.A OE2 no hydrogen 3.003 N/A GLN 58.A N GLN 58.A OE1 no hydrogen 2.770 N/A LEU 59.A N GLN 56.A O no hydrogen 2.998 N/A SER 60.A N ARG 57.A O no hydrogen 3.062 N/A SER 60.A OG ASP 86.A OD1 no hydrogen 3.330 N/A SER 60.A OG ASP 86.A OD2 no hydrogen 2.929 N/A SER 61.A N SER 25.A O no hydrogen 2.777 N/A SER 61.A OG SER 25.A O no hydrogen 2.756 N/A THR 62.A N SER 60.A OG no hydrogen 3.303 N/A THR 62.A OG1 SER 25.A OG no hydrogen 2.695 N/A THR 62.A OG1 ASP 86.A OD1 no hydrogen 3.532 N/A TYR 63.A N SER 60.A O no hydrogen 3.345 N/A ARG 64.A N THR 85.A O no hydrogen 3.229 N/A LEU 66.A N LEU 83.A O no hydrogen 3.131 N/A ARG 67.A N ASP 65.A OD1 no hydrogen 2.507 N/A VAL 70.A N GLY 81.A O no hydrogen 2.828 N/A VAL 72.A N TRP 79.A O no hydrogen 3.016 N/A TYR 74.A N GLY 77.A O no hydrogen 2.767 N/A LYS 78.A N ASP 109.A O no hydrogen 2.946 N/A TRP 79.A N VAL 72.A O no hydrogen 3.163 N/A TRP 79.A NE1 TYR 74.A OH no hydrogen 3.212 N/A GLU 80.A N GLU 107.A O no hydrogen 2.939 N/A GLY 81.A N VAL 70.A O no hydrogen 2.914 N/A GLU 82.A N ALA 104.A O no hydrogen 2.739 N/A LEU 83.A N LYS 68.A O no hydrogen 2.941 N/A GLY 84.A N ILE 102.A O no hydrogen 3.058 N/A THR 85.A N ARG 64.A O no hydrogen 2.934 N/A LEU 87.A N ASP 86.A OD1 no hydrogen 2.676 N/A SER 89.A N THR 22.A O no hydrogen 3.006 N/A SER 89.A OG VAL 88.A O no hydrogen 3.025 N/A SER 89.A OG VAL 96.A O no hydrogen 3.016 N/A VAL 96.A N PRO 94.A O no hydrogen 2.993 N/A THR 97.A OG1 SER 89.A OG no hydrogen 2.991 N/A VAL 98.A N VAL 88.A O no hydrogen 3.121 N/A ARG 99.A N GLN 146.A OE1 no hydrogen 2.954 N/A ARG 99.A NH1 THR 62.A O no hydrogen 3.402 N/A ARG 99.A NH2 THR 62.A O no hydrogen 2.973 N/A ALA 100.A N ASP 86.A O no hydrogen 2.945 N/A ILE 102.A N GLY 84.A O no hydrogen 2.917 N/A ALA 103.A N PHE 41.A O no hydrogen 2.875 N/A ALA 104.A N GLU 82.A O no hydrogen 2.715 N/A ILE 105.A N VAL 43.A O no hydrogen 2.701 N/A THR 106.A N GLU 80.A O no hydrogen 3.037 N/A THR 106.A OG1 GLU 80.A O no hydrogen 3.380 N/A GLU 107.A N GLU 80.A O no hydrogen 3.377 N/A ASP 109.A N LYS 78.A O no hydrogen 2.970 N/A LYS 110.A NZ ASP 109.A OD1 no hydrogen 2.832 N/A LYS 110.A NZ ASP 109.A OD2 no hydrogen 2.937 N/A TRP 118.A NE1 GLN 15.A O no hydrogen 3.007 N/A GLU 119.A N ASN 31.A O no hydrogen 2.852 N/A ILE 121.A N ALA 42.A O no hydrogen 2.647 N/A LEU 122.A N LEU 33.A O no hydrogen 2.546 N/A GLY 123.A N ASN 40.A O no hydrogen 3.211 N/A LEU 124.A N ASP 35.A O no hydrogen 2.533 N/A ALA 125.A N SER 38.A O no hydrogen 2.942 N/A TYR 126.A N TRP 188.A O no hydrogen 3.001 N/A ILE 129.A N TYR 126.A O no hydrogen 3.147 N/A ALA 130.A N ALA 127.A O no hydrogen 2.651 N/A ARG 131.A N ASN 40.A OD1 no hydrogen 3.016 N/A SER 135.A N ASP 133.A OD2 no hydrogen 2.652 N/A SER 135.A OG ASP 133.A OD2 no hydrogen 2.282 N/A LEU 136.A N ASP 133.A O no hydrogen 3.445 N/A SER 142.A N PRO 138.A O no hydrogen 3.399 N/A SER 142.A OG GLU 137.A OE2 no hydrogen 2.601 N/A LEU 143.A N PHE 139.A O no hydrogen 3.137 N/A VAL 144.A N PHE 140.A O no hydrogen 3.033 N/A LYS 145.A N ASP 141.A O no hydrogen 3.018 N/A GLN 146.A N SER 142.A O no hydrogen 2.831 N/A GLN 146.A NE2 ARG 99.A O no hydrogen 2.901 N/A THR 147.A OG1 LEU 143.A O no hydrogen 2.677 N/A VAL 149.A N THR 147.A OG1 no hydrogen 3.061 N/A PHE 153.A N PHE 334.A O no hydrogen 3.350 N/A SER 154.A N ILE 166.A O no hydrogen 2.913 N/A SER 154.A OG ILE 166.A O no hydrogen 3.506 N/A SER 154.A OG GLY 169.A O no hydrogen 2.952 N/A SER 154.A OG TYR 331.A OH no hydrogen 2.752 N/A LEU 155.A N VAL 332.A O no hydrogen 3.093 N/A GLN 156.A N SER 164.A O no hydrogen 2.798 N/A GLN 156.A NE2 LEU 174.A O no hydrogen 3.699 N/A CYS 158.A N GLY 162.A O no hydrogen 3.085 N/A VAL 161.A N GLY 11.A O no hydrogen 3.204 N/A GLY 163.A N LEU 9.A O no hydrogen 3.035 N/A SER 164.A N GLN 156.A O no hydrogen 2.724 N/A SER 164.A OG GLN 156.A OE1 no hydrogen 3.024 N/A MET 165.A N ASN 8.A OD1 no hydrogen 2.964 N/A ILE 166.A N SER 154.A O no hydrogen 2.804 N/A GLY 168.A N LEU 152.A O no hydrogen 2.910 N/A ASP 171.A N TYR 331.A OH no hydrogen 3.028 N/A SER 173.A N ASP 171.A OD2 no hydrogen 2.863 N/A SER 173.A OG ASP 171.A OD2 no hydrogen 2.309 N/A LEU 174.A N ASP 171.A O no hydrogen 2.893 N/A TYR 175.A OH HIS 172.A ND1 no hydrogen 3.164 N/A THR 176.A N VAL 345.A O no hydrogen 3.111 N/A TRP 180.A N PHE 343.A O no hydrogen 2.977 N/A THR 182.A N ILE 341.A O no hydrogen 2.825 N/A THR 182.A OG1 MET 279.A O no hydrogen 2.530 N/A ILE 184.A N LYS 339.A O no hydrogen 2.866 N/A ARG 185.A N GLU 191.A O no hydrogen 2.824 N/A ARG 185.A NH1 GLU 191.A OE2 no hydrogen 3.034 N/A ARG 185.A NH1 TYR 373.A O no hydrogen 3.130 N/A ARG 185.A NH2 TYR 373.A O no hydrogen 2.954 N/A ARG 186.A NH1 GLU 128.A OE1 no hydrogen 3.266 N/A ARG 186.A NH1 GLU 128.A OE2 no hydrogen 2.704 N/A TRP 188.A N ARG 186.A O no hydrogen 2.932 N/A TRP 188.A NE1 GLU 191.A OE1 no hydrogen 2.633 N/A TYR 190.A OH LEU 124.A O no hydrogen 2.657 N/A VAL 192.A N SER 216.A O no hydrogen 2.640 N/A ILE 194.A N ASN 212.A OD1 no hydrogen 2.614 N/A VAL 195.A N TYR 277.A O no hydrogen 2.640 N/A GLU 198.A N SER 275.A O no hydrogen 3.050 N/A ILE 199.A N GLN 202.A O no hydrogen 3.023 N/A ASN 200.A N VAL 273.A O no hydrogen 3.043 N/A GLN 202.A N ILE 199.A O no hydrogen 3.040 N/A LEU 204.A N VAL 197.A O no hydrogen 3.057 N/A LYS 205.A N ASP 203.A OD1 no hydrogen 2.776 N/A LYS 209.A N ASP 207.A OD1 no hydrogen 2.891 N/A LYS 209.A NZ ASP 370.A O no hydrogen 2.847 N/A LYS 209.A NZ GLY 372.A O no hydrogen 3.364 N/A GLU 210.A N ASP 207.A O no hydrogen 2.818 N/A TYR 211.A N CYS 208.A O no hydrogen 3.153 N/A ASN 212.A N LYS 209.A O no hydrogen 3.155 N/A ASN 212.A ND2 ILE 194.A O no hydrogen 2.978 N/A ASN 212.A ND2 CYS 208.A O no hydrogen 3.316 N/A ASN 212.A ND2 CYS 371.A O no hydrogen 3.041 N/A ASP 214.A N ASP 214.A OD2 no hydrogen 2.609 N/A LYS 215.A NZ THR 318.A O no hydrogen 2.826 N/A SER 216.A OG ASN 212.A OD1 no hydrogen 2.921 N/A ILE 217.A N THR 320.A O no hydrogen 2.947 N/A VAL 218.A N TYR 190.A O no hydrogen 3.079 N/A ASP 219.A N MET 322.A O no hydrogen 2.972 N/A SER 220.A N THR 36.A OG1 no hydrogen 2.911 N/A SER 220.A OG VAL 34.A O no hydrogen 2.698 N/A GLY 221.A N ASP 219.A OD1 no hydrogen 2.551 N/A THR 222.A N ASP 219.A O no hydrogen 3.130 N/A THR 222.A OG1 ASP 219.A OD2 no hydrogen 2.424 N/A THR 223.A OG1 GLY 14.A O no hydrogen 3.404 N/A ASN 224.A ND2 SER 314.A OG no hydrogen 3.055 N/A LEU 225.A N ALA 312.A O no hydrogen 3.022 N/A ARG 226.A N VAL 321.A O no hydrogen 3.074 N/A ARG 226.A NE GLN 315.A O no hydrogen 3.485 N/A ARG 226.A NH1 GLN 315.A O no hydrogen 3.565 N/A LEU 227.A N SER 314.A O no hydrogen 3.113 N/A PHE 232.A N PRO 228.A O no hydrogen 2.732 N/A GLU 233.A N LYS 229.A O no hydrogen 3.027 N/A ALA 234.A N LYS 230.A O no hydrogen 3.280 N/A ALA 235.A N VAL 231.A O no hydrogen 2.866 N/A VAL 236.A N PHE 232.A O no hydrogen 2.956 N/A LYS 237.A N GLU 233.A O no hydrogen 2.904 N/A SER 238.A N ALA 234.A O no hydrogen 3.036 N/A ILE 239.A N ALA 235.A O no hydrogen 2.884 N/A LYS 240.A N VAL 236.A O no hydrogen 2.629 N/A ALA 241.A N LYS 237.A O no hydrogen 3.140 N/A ALA 242.A N SER 238.A O no hydrogen 3.177 N/A SER 243.A N LYS 240.A O no hydrogen 3.353 N/A SER 243.A OG ILE 239.A O no hydrogen 2.780 N/A SER 244.A OG ALA 241.A O no hydrogen 3.269 N/A LEU 254.A N GLY 251.A O no hydrogen 2.822 N/A GLY 255.A N PHE 252.A O no hydrogen 2.763 N/A GLU 256.A N GLY 251.A O no hydrogen 2.717 N/A VAL 259.A N TYR 309.A O no hydrogen 3.360 N/A TRP 261.A N ASP 307.A O no hydrogen 3.491 N/A TRP 261.A NE1 GLU 246.A OE1 no hydrogen 2.926 N/A THR 265.A N GLN 262.A O no hydrogen 2.765 N/A THR 265.A OG1 GLN 262.A O no hydrogen 3.058 N/A THR 266.A OG1 TYR 309.A OH no hydrogen 3.223 N/A ILE 270.A N PRO 267.A O no hydrogen 3.416 N/A PHE 271.A N TRP 268.A O no hydrogen 2.585 N/A ILE 274.A N ILE 291.A O no hydrogen 3.079 N/A SER 275.A N GLU 198.A O no hydrogen 2.844 N/A SER 275.A OG THR 290.A OG1 no hydrogen 2.836 N/A LEU 276.A N ILE 289.A O no hydrogen 2.851 N/A TYR 277.A N ARG 196.A O no hydrogen 2.986 N/A TYR 277.A OH GLU 198.A OE1 no hydrogen 2.698 N/A LEU 278.A N PHE 287.A O no hydrogen 2.809 N/A MET 279.A N ILE 193.A O no hydrogen 3.050 N/A VAL 282.A N GLN 285.A OE1 no hydrogen 2.895 N/A GLN 285.A N VAL 282.A O no hydrogen 3.259 N/A SER 286.A N PHE 363.A O no hydrogen 2.952 N/A SER 286.A OG THR 365.A OG1 no hydrogen 2.816 N/A PHE 287.A N LEU 278.A O no hydrogen 3.138 N/A ARG 288.A N GLU 360.A O no hydrogen 2.833 N/A ARG 288.A NH1 TYR 277.A OH no hydrogen 2.944 N/A ARG 288.A NH2 GLU 360.A OE2 no hydrogen 3.077 N/A ILE 289.A N LEU 276.A O no hydrogen 3.002 N/A THR 290.A N ALA 358.A O no hydrogen 2.986 N/A THR 290.A OG1 SER 275.A OG no hydrogen 2.836 N/A ILE 291.A N ILE 274.A O no hydrogen 2.494 N/A GLN 294.A N GLN 294.A OE1 no hydrogen 2.663 N/A GLN 295.A N LEU 292.A O no hydrogen 2.923 N/A GLN 295.A NE2 VAL 325.A O no hydrogen 3.221 N/A TYR 296.A OH PRO 272.A O no hydrogen 2.549 N/A LEU 297.A N PRO 293.A O no hydrogen 3.053 N/A ARG 298.A N LYS 310.A O no hydrogen 2.968 N/A VAL 300.A N CYS 308.A O no hydrogen 2.669 N/A SER 304.A OG VAL 303.A O no hydrogen 3.339 N/A ASP 307.A N TRP 261.A O no hydrogen 3.175 N/A CYS 308.A SG ASP 302.A OD1 no hydrogen 3.870 N/A CYS 308.A SG ASP 306.A O no hydrogen 3.955 N/A TYR 309.A N VAL 259.A O no hydrogen 3.182 N/A TYR 309.A OH THR 266.A OG1 no hydrogen 3.223 N/A LYS 310.A N ARG 298.A O no hydrogen 2.853 N/A ALA 312.A N TYR 296.A O no hydrogen 2.673 N/A SER 314.A N LEU 225.A O no hydrogen 2.953 N/A SER 316.A N LEU 227.A O no hydrogen 2.801 N/A SER 316.A OG GLY 319.A O no hydrogen 2.580 N/A THR 320.A N LYS 215.A O no hydrogen 2.769 N/A THR 320.A OG1 TYR 211.A O no hydrogen 2.673 N/A VAL 321.A N ARG 226.A O no hydrogen 2.855 N/A MET 322.A N ILE 217.A O no hydrogen 2.942 N/A ALA 324.A N THR 222.A O no hydrogen 2.716 N/A VAL 325.A N THR 223.A O no hydrogen 2.889 N/A MET 327.A N GLY 323.A O no hydrogen 3.169 N/A PHE 330.A N MET 327.A O no hydrogen 3.203 N/A TYR 331.A N ALA 344.A O no hydrogen 2.689 N/A VAL 332.A N LEU 155.A O no hydrogen 3.130 N/A VAL 333.A N GLY 342.A O no hydrogen 2.687 N/A PHE 334.A N PHE 153.A O no hydrogen 2.707 N/A ARG 336.A N PHE 334.A O no hydrogen 2.873 N/A ARG 336.A NE ASN 151.A OD1 no hydrogen 2.859 N/A ARG 336.A NH1 TYR 190.A OH no hydrogen 3.084 N/A ARG 336.A NH2 ASP 141.A OD2 no hydrogen 3.265 N/A ALA 337.A N ASN 151.A O no hydrogen 2.962 N/A ARG 338.A N ASP 335.A O no hydrogen 3.062 N/A LYS 339.A N ARG 336.A O no hydrogen 3.209 N/A ARG 340.A N ASP 335.A O no hydrogen 3.001 N/A ARG 340.A NE ASP 335.A OD2 no hydrogen 2.819 N/A ARG 340.A NH1 GLU 281.A OE2 no hydrogen 2.554 N/A ARG 340.A NH2 ASP 335.A OD2 no hydrogen 3.128 N/A ILE 341.A N THR 182.A O no hydrogen 2.877 N/A GLY 342.A N VAL 333.A O no hydrogen 2.768 N/A PHE 343.A N TRP 180.A O no hydrogen 2.664 N/A ALA 344.A N TYR 331.A O no hydrogen 3.006 N/A SER 346.A N GLY 329.A O no hydrogen 2.846 N/A ALA 347.A N LEU 174.A O no hydrogen 2.944 N/A CYS 348.A N SER 346.A OG no hydrogen 3.303 N/A CYS 348.A SG SER 346.A OG no hydrogen 3.144 N/A PHE 354.A N ASP 352.A OD2 no hydrogen 3.234 N/A ARG 355.A NH1 PHE 271.A O no hydrogen 2.643 N/A ARG 355.A NH2 PHE 271.A O no hydrogen 3.341 N/A ARG 355.A NH2 ASP 352.A OD1 no hydrogen 3.381 N/A THR 356.A OG1 ALA 357.A O no hydrogen 3.564 N/A GLU 360.A N ARG 288.A O no hydrogen 2.862 N/A PHE 363.A N SER 286.A O no hydrogen 2.813 N/A THR 365.A N ASN 284.A O no hydrogen 3.141 N/A THR 365.A OG1 SER 286.A OG no hydrogen 2.816 N/A GLU 369.A N GLU 369.A OE1 no hydrogen 2.735 N/A ASP 370.A N ASP 367.A O no hydrogen 2.913 N/A CYS 371.A N MET 368.A O no hydrogen 3.064 N/A