Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pw9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A OH ASP 18.A O no hydrogen 2.732 N/A VAL 5.A N PRO 2.A O no hydrogen 2.982 N/A ALA 6.A N ASP 3.A O no hydrogen 2.648 N/A LYS 8.A N VAL 5.A O no hydrogen 3.214 N/A LYS 8.A NZ GLU 36.A O no hydrogen 2.539 N/A LYS 8.A NZ LEU 39.A O no hydrogen 2.751 N/A LYS 8.A NZ HIS 192.A NE2 no hydrogen 2.891 N/A ASP 9.A N GLU 37.A O no hydrogen 2.879 N/A ALA 12.A N ASP 9.A O no hydrogen 2.980 N/A LEU 13.A N ALA 10.A O no hydrogen 3.371 N/A ILE 14.A N GLU 22.A O no hydrogen 2.639 N/A HIS 16.A NE2 GLU 22.A OE1 no hydrogen 2.757 N/A SER 17.A N THR 20.A O no hydrogen 3.058 N/A LYS 19.A N SER 17.A OG no hydrogen 2.844 N/A LYS 19.A NZ ASP 18.A OD1 no hydrogen 3.389 N/A THR 20.A N SER 17.A O no hydrogen 3.178 N/A THR 20.A OG1 THR 112.A OG1 no hydrogen 3.253 N/A LEU 21.A N ILE 41.A O no hydrogen 2.987 N/A GLU 22.A N ILE 14.A O no hydrogen 2.784 N/A THR 23.A N GLY 117.A O no hydrogen 3.007 N/A THR 23.A OG1 LYS 38.A O no hydrogen 2.546 N/A THR 23.A OG1 GLY 117.A O no hydrogen 3.502 N/A LYS 24.A N ALA 12.A O no hydrogen 2.858 N/A LYS 24.A NZ ASP 11.A O no hydrogen 2.659 N/A ARG 25.A NE ILE 256.A O no hydrogen 2.821 N/A ARG 25.A NH2 ILE 256.A O no hydrogen 3.106 N/A ARG 25.A NH2 PRO 356.A O no hydrogen 2.488 N/A GLU 27.A N LYS 24.A O no hydrogen 3.052 N/A THR 34.A N CYS 121.A O no hydrogen 2.880 N/A THR 34.A OG1 CYS 121.A O no hydrogen 3.560 N/A GLU 37.A N GLU 37.A OE1 no hydrogen 2.510 N/A LYS 38.A N PRO 35.A O no hydrogen 2.861 N/A LYS 38.A NZ GLU 27.A O no hydrogen 3.496 N/A LYS 38.A NZ GLU 27.A OE1 no hydrogen 3.186 N/A LEU 39.A N GLU 36.A O no hydrogen 3.361 N/A ILE 41.A N LEU 21.A O no hydrogen 3.078 N/A ASN 43.A N LYS 19.A O no hydrogen 3.129 N/A ASN 44.A ND2 TYR 231.A OH no hydrogen 2.698 N/A ASN 46.A ND2 GLU 153.A O no hydrogen 3.009 N/A ILE 52.A N PRO 49.A O no hydrogen 3.389 N/A LEU 53.A N GLU 50.A O no hydrogen 2.742 N/A ALA 54.A N SER 51.A O no hydrogen 3.053 N/A ARG 56.A NH1 LEU 188.A O no hydrogen 2.759 N/A ARG 56.A NH2 LEU 188.A O no hydrogen 2.646 N/A GLY 58.A N ASP 55.A O no hydrogen 3.302 N/A TRP 59.A N ARG 56.A O no hydrogen 3.278 N/A TRP 59.A NE1 VAL 212.A O no hydrogen 2.960 N/A VAL 61.A N LEU 72.A O no hydrogen 2.672 N/A GLU 62.A N LYS 213.A O no hydrogen 3.168 N/A ILE 63.A N ARG 70.A O no hydrogen 2.840 N/A SER 64.A N VAL 215.A O no hydrogen 3.366 N/A LYS 67.A N GLY 138.A O no hydrogen 3.150 N/A ARG 70.A N ILE 63.A O no hydrogen 3.188 N/A LEU 72.A N VAL 61.A O no hydrogen 2.858 N/A THR 73.A N GLU 76.A OE1 no hydrogen 3.264 N/A THR 73.A OG1 GLU 76.A OE1 no hydrogen 3.415 N/A VAL 74.A N TRP 59.A O no hydrogen 3.051 N/A ALA 75.A N ASP 57.A O no hydrogen 3.017 N/A GLU 76.A N THR 73.A OG1 no hydrogen 3.343 N/A LEU 77.A N THR 73.A O no hydrogen 3.058 N/A LYS 78.A N VAL 74.A O no hydrogen 2.951 N/A LYS 78.A NZ ASP 57.A OD1 no hydrogen 3.071 N/A LYS 78.A NZ ASP 57.A OD2 no hydrogen 3.068 N/A THR 79.A N GLU 76.A O no hydrogen 3.163 N/A THR 79.A OG1 GLU 76.A O no hydrogen 2.318 N/A LEU 80.A N LEU 77.A O no hydrogen 2.832 N/A VAL 83.A N GLY 126.A O no hydrogen 2.532 N/A THR 84.A OG1 SER 125.A OG no hydrogen 3.075 N/A ALA 85.A N TRP 124.A O no hydrogen 2.922 N/A THR 87.A N VAL 122.A O no hydrogen 2.953 N/A VAL 88.A N PHE 307.A O no hydrogen 2.862 N/A LEU 89.A N GLY 120.A O no hydrogen 2.840 N/A CYS 91.A N ALA 118.A O no hydrogen 3.102 N/A ASN 94.A N CYS 91.A O no hydrogen 3.387 N/A ASN 94.A ND2 GLN 90.A OE1 no hydrogen 2.832 N/A ASN 94.A ND2 VAL 116.A O no hydrogen 3.448 N/A ARG 96.A N GLY 93.A O no hydrogen 2.683 N/A ARG 96.A NE ALA 346.A O no hydrogen 3.042 N/A ARG 96.A NH1 THR 112.A O no hydrogen 2.948 N/A LYS 97.A N TRP 114.A O no hydrogen 2.875 N/A TYR 98.A N GLY 95.A O no hydrogen 2.928 N/A LYS 100.A N ARG 96.A O no hydrogen 3.018 N/A LYS 100.A NZ MET 109.A O no hydrogen 3.245 N/A LYS 100.A NZ GLY 111.A O no hydrogen 3.000 N/A ASP 101.A N LYS 97.A O no hydrogen 2.843 N/A GLN 102.A N PHE 99.A O no hydrogen 3.132 N/A GLN 102.A NE2 TYR 98.A O no hydrogen 3.399 N/A LEU 103.A N LYS 100.A O no hydrogen 3.129 N/A THR 104.A N GLN 107.A OE1 no hydrogen 2.934 N/A THR 104.A OG1 GLN 107.A OE1 no hydrogen 2.904 N/A THR 112.A OG1 THR 20.A OG1 no hydrogen 3.253 N/A THR 115.A N GLU 22.A OE2 no hydrogen 2.980 N/A THR 115.A OG1 GLU 22.A OE2 no hydrogen 2.684 N/A GLY 117.A N GLU 22.A OE2 no hydrogen 2.865 N/A ALA 118.A N ASN 94.A OD1 no hydrogen 2.877 N/A GLY 120.A N LEU 89.A O no hydrogen 2.755 N/A CYS 121.A N THR 34.A OG1 no hydrogen 2.838 N/A CYS 121.A SG THR 87.A O no hydrogen 3.305 N/A VAL 122.A N THR 87.A O no hydrogen 2.966 N/A ILE 123.A N ASN 184.A OD1 no hydrogen 2.944 N/A TRP 124.A N ALA 85.A O no hydrogen 2.728 N/A TRP 124.A NE1 THR 87.A OG1 no hydrogen 2.733 N/A SER 125.A N GLU 182.A O no hydrogen 2.702 N/A SER 125.A OG THR 84.A OG1 no hydrogen 3.075 N/A GLY 126.A N VAL 83.A O no hydrogen 2.774 N/A VAL 127.A N LEU 179.A O no hydrogen 2.893 N/A LEU 129.A N VAL 177.A O no hydrogen 3.190 N/A LYS 130.A NZ ASP 134.A OD2 no hydrogen 3.550 N/A VAL 132.A N PRO 128.A O no hydrogen 3.272 N/A VAL 133.A N LEU 129.A O no hydrogen 2.732 N/A ASP 134.A N LYS 130.A O no hydrogen 2.794 N/A ALA 135.A N ALA 131.A O no hydrogen 2.813 N/A LEU 136.A N VAL 133.A O no hydrogen 2.887 N/A GLY 137.A N ASP 134.A O no hydrogen 3.206 N/A GLY 138.A N VAL 133.A O no hydrogen 3.084 N/A ALA 140.A N GLY 65.A O no hydrogen 2.857 N/A GLY 142.A N GLU 141.A OE1 no hydrogen 2.955 N/A ALA 143.A N ALA 140.A O no hydrogen 3.142 N/A ARG 144.A N THR 218.A O no hydrogen 2.847 N/A PHE 145.A N THR 218.A O no hydrogen 2.868 N/A ILE 146.A N VAL 169.A O no hydrogen 2.707 N/A THR 147.A N ALA 216.A O no hydrogen 2.760 N/A THR 147.A OG1 SER 168.A OG no hydrogen 2.722 N/A THR 147.A OG1 THR 218.A OG1 no hydrogen 2.849 N/A GLY 148.A N ARG 167.A O no hydrogen 3.022 N/A THR 149.A N ALA 214.A O no hydrogen 3.058 N/A THR 149.A OG1 GLU 166.A OE1 no hydrogen 2.976 N/A GLY 150.A N VAL 165.A O no hydrogen 2.851 N/A GLU 152.A N GLU 152.A OE1 no hydrogen 2.908 N/A LYS 161.A N ASP 159.A OD1 no hydrogen 3.330 N/A LYS 161.A NZ GLU 166.A OE2 no hydrogen 3.037 N/A LEU 162.A N ASP 159.A O no hydrogen 2.899 N/A LEU 163.A N PRO 160.A O no hydrogen 3.164 N/A VAL 164.A N PRO 160.A O no hydrogen 2.853 N/A ARG 167.A N GLY 148.A O no hydrogen 3.093 N/A ARG 167.A NE ASN 207.A OD1 no hydrogen 3.180 N/A ARG 167.A NH1 ILE 226.A O no hydrogen 3.023 N/A ARG 167.A NH2 ASN 207.A OD1 no hydrogen 3.022 N/A ARG 167.A NH2 SER 246.A OG no hydrogen 2.927 N/A SER 168.A N GLN 227.A OE1 no hydrogen 2.977 N/A SER 168.A OG THR 147.A OG1 no hydrogen 2.722 N/A VAL 169.A N ILE 146.A O no hydrogen 2.911 N/A ILE 171.A N ARG 144.A O no hydrogen 3.107 N/A ASN 173.A N PRO 170.A O no hydrogen 3.050 N/A ASN 173.A ND2 PRO 170.A O no hydrogen 2.790 N/A ASN 173.A ND2 TYR 203.A OH no hydrogen 3.064 N/A LEU 174.A N ILE 171.A O no hydrogen 3.229 N/A ASN 176.A N ASN 173.A O no hydrogen 2.673 N/A VAL 177.A N ASN 173.A O no hydrogen 3.114 N/A VAL 177.A N LEU 174.A O no hydrogen 3.295 N/A ILE 178.A N VAL 199.A O no hydrogen 2.970 N/A LEU 179.A N VAL 127.A O no hydrogen 2.837 N/A ALA 180.A N ARG 197.A O no hydrogen 2.905 N/A TRP 181.A N SER 125.A O no hydrogen 3.010 N/A GLU 182.A N SER 125.A O no hydrogen 3.110 N/A MET 183.A N ARG 186.A O no hydrogen 2.886 N/A ASN 184.A N ILE 123.A O no hydrogen 2.789 N/A ASN 184.A ND2 THR 34.A O no hydrogen 3.340 N/A ARG 186.A N MET 183.A O no hydrogen 2.861 N/A LEU 188.A N TRP 181.A O no hydrogen 2.812 N/A GLY 193.A N LEU 190.A O no hydrogen 2.959 N/A GLY 194.A N SER 189.A O no hydrogen 2.578 N/A ARG 197.A N ALA 180.A O no hydrogen 2.836 N/A ARG 197.A NE ASN 208.A O no hydrogen 3.097 N/A ARG 197.A NH1 HIS 192.A O no hydrogen 3.229 N/A ARG 197.A NH2 ASN 208.A O no hydrogen 2.930 N/A MET 198.A N ILE 209.A O no hydrogen 3.147 N/A VAL 199.A N ILE 178.A O no hydrogen 2.670 N/A VAL 200.A N ASN 208.A OD1 no hydrogen 2.841 N/A TYR 203.A N VAL 200.A O no hydrogen 3.346 N/A SER 204.A N TRP 248.A O no hydrogen 3.185 N/A SER 204.A OG TRP 248.A O no hydrogen 3.526 N/A GLY 205.A N GLN 90.A O no hydrogen 3.102 N/A ASN 207.A N SER 204.A O no hydrogen 2.848 N/A ASN 207.A ND2 SER 204.A O no hydrogen 3.121 N/A ASN 207.A ND2 VAL 247.A O no hydrogen 2.904 N/A ASN 208.A N GLY 205.A O no hydrogen 2.948 N/A ASN 208.A ND2 GLY 205.A O no hydrogen 3.288 N/A LYS 210.A NZ ASN 43.A OD1 no hydrogen 2.817 N/A LYS 210.A NZ ALA 191.A O no hydrogen 2.685 N/A TYR 211.A N GLY 193.A O no hydrogen 2.927 N/A VAL 212.A N LEU 196.A O no hydrogen 3.110 N/A LYS 213.A N THR 149.A O no hydrogen 2.803 N/A VAL 215.A N GLU 62.A O no hydrogen 2.924 N/A ALA 216.A N THR 147.A O no hydrogen 2.669 N/A MET 217.A N SER 64.A O no hydrogen 3.275 N/A THR 218.A N PHE 145.A O no hydrogen 2.977 N/A THR 218.A OG1 THR 147.A OG1 no hydrogen 2.849 N/A THR 218.A OG1 VAL 220.A O no hydrogen 2.996 N/A THR 222.A N SER 168.A OG no hydrogen 2.926 N/A THR 222.A OG1 GLU 166.A OE2 no hydrogen 2.351 N/A ASP 223.A N ASP 223.A OD1 no hydrogen 2.546 N/A ALA 224.A N THR 222.A OG1 no hydrogen 3.084 N/A LYS 225.A N LYS 161.A O no hydrogen 2.694 N/A LYS 225.A NZ THR 229.A OG1 no hydrogen 2.173 N/A LYS 225.A NZ SER 230.A OG no hydrogen 3.368 N/A GLN 227.A N ALA 224.A O no hydrogen 2.968 N/A GLN 227.A NE2 SER 168.A O no hydrogen 3.186 N/A GLN 227.A NE2 GLU 221.A OE1 no hydrogen 3.097 N/A LYS 228.A N ALA 224.A O no hydrogen 2.794 N/A THR 229.A N LYS 225.A O no hydrogen 3.113 N/A SER 230.A N LYS 225.A O no hydrogen 3.141 N/A TYR 231.A N TYR 348.A OH no hydrogen 3.328 N/A ARG 232.A NE GLN 227.A O no hydrogen 3.166 N/A ARG 232.A NE LYS 228.A O no hydrogen 3.096 N/A ARG 232.A NH1 GLN 244.A O no hydrogen 2.682 N/A ARG 232.A NH2 GLU 221.A OE1 no hydrogen 2.980 N/A ARG 232.A NH2 GLN 227.A O no hydrogen 2.897 N/A VAL 233.A N PRO 245.A O no hydrogen 2.779 N/A HIS 234.A ND1 ALA 235.A O no hydrogen 3.349 N/A ALA 235.A N GLU 238.A OE1 no hydrogen 2.832 N/A GLU 238.A N ALA 235.A O no hydrogen 3.034 N/A SER 241.A N GLN 244.A OE1 no hydrogen 2.806 N/A SER 241.A OG ASP 243.A OD2 no hydrogen 2.189 N/A GLN 244.A N SER 241.A O no hydrogen 2.788 N/A GLN 244.A NE2 LYS 239.A O no hydrogen 2.936 N/A SER 246.A OG TYR 231.A O no hydrogen 3.096 N/A VAL 247.A N TYR 231.A O no hydrogen 3.039 N/A TRP 248.A NE1 SER 168.A O no hydrogen 3.109 N/A GLN 250.A N GLY 202.A O no hydrogen 2.717 N/A GLN 250.A NE2 GLN 90.A O no hydrogen 3.157 N/A LYS 253.A N PHE 275.A O no hydrogen 2.978 N/A LYS 253.A NZ GLN 90.A OE1 no hydrogen 2.584 N/A LYS 253.A NZ ASN 94.A O no hydrogen 3.492 N/A LYS 253.A NZ HIS 350.A O no hydrogen 3.039 N/A SER 254.A OG SER 327.A OG no hydrogen 2.864 N/A SER 254.A OG GLN 337.A OE1 no hydrogen 2.605 N/A TRP 255.A N VAL 273.A O no hydrogen 3.031 N/A THR 257.A N ALA 271.A O no hydrogen 2.974 N/A THR 257.A OG1 ALA 271.A O no hydrogen 3.239 N/A THR 258.A N ALA 271.A O no hydrogen 2.977 N/A ALA 263.A N THR 361.A O no hydrogen 3.247 N/A GLY 266.A N LEU 318.A O no hydrogen 2.800 N/A GLN 267.A NE2 SER 315.A OG no hydrogen 3.062 N/A VAL 268.A N ALA 316.A O no hydrogen 2.819 N/A GLN 269.A NE2 SER 315.A OG no hydrogen 2.887 N/A ILE 270.A N LEU 314.A O no hydrogen 2.738 N/A ALA 271.A N THR 258.A O no hydrogen 2.600 N/A GLY 272.A N PHE 312.A O no hydrogen 3.116 N/A VAL 273.A N TRP 255.A O no hydrogen 3.072 N/A ALA 274.A N ARG 310.A O no hydrogen 2.902 N/A PHE 275.A N LYS 253.A O no hydrogen 2.990 N/A ASN 279.A N GLY 276.A O no hydrogen 3.270 N/A ASN 279.A ND2 ASP 331.A OD1 no hydrogen 3.182 N/A CYS 281.A SG SER 283.A O no hydrogen 3.402 N/A CYS 281.A SG THR 330.A O no hydrogen 3.706 N/A LYS 282.A N THR 330.A O no hydrogen 2.683 N/A SER 283.A N THR 330.A O no hydrogen 3.176 N/A GLU 285.A N ARG 328.A O no hydrogen 2.954 N/A VAL 286.A N GLN 295.A O no hydrogen 2.819 N/A SER 287.A N VAL 326.A O no hydrogen 2.918 N/A SER 287.A OG THR 293.A O no hydrogen 2.699 N/A ASP 289.A N SER 287.A OG no hydrogen 3.282 N/A GLY 291.A N SER 287.A OG no hydrogen 3.014 N/A GLN 292.A NE2 ASP 289.A O no hydrogen 3.092 N/A THR 293.A N ASP 289.A OD1 no hydrogen 2.810 N/A THR 293.A OG1 ASP 289.A OD2 no hydrogen 2.543 N/A GLN 295.A N VAL 286.A O no hydrogen 2.914 N/A ALA 297.A N VAL 284.A O no hydrogen 2.842 N/A GLU 298.A N ALA 313.A O no hydrogen 2.851 N/A ILE 300.A N VAL 311.A O no hydrogen 2.749 N/A GLY 305.A N ASP 303.A OD2 no hydrogen 2.874 N/A ALA 308.A N GLY 305.A O no hydrogen 3.056 N/A TRP 309.A NE1 ILE 32.A O no hydrogen 2.975 N/A ARG 310.A N ALA 274.A O no hydrogen 2.708 N/A PHE 312.A N GLY 272.A O no hydrogen 3.073 N/A ALA 313.A N GLU 298.A O no hydrogen 2.832 N/A LEU 314.A N ILE 270.A O no hydrogen 2.674 N/A ALA 316.A N VAL 268.A O no hydrogen 2.932 N/A LEU 318.A N GLY 266.A O no hydrogen 2.699 N/A ARG 320.A NH1 ALA 363.A O no hydrogen 3.061 N/A GLY 321.A N VAL 362.A O no hydrogen 2.903 N/A TYR 323.A N LEU 360.A O no hydrogen 2.670 N/A TYR 323.A OH ALA 319.A O no hydrogen 2.718 N/A THR 324.A N VAL 288.A O no hydrogen 2.797 N/A LEU 325.A N VAL 358.A O no hydrogen 2.787 N/A VAL 326.A N SER 287.A O no hydrogen 2.923 N/A SER 327.A OG SER 254.A OG no hydrogen 2.864 N/A ARG 328.A N GLU 285.A O no hydrogen 2.813 N/A ARG 328.A NH1 GLU 285.A OE1 no hydrogen 2.859 N/A ALA 329.A N GLN 337.A OE1 no hydrogen 2.901 N/A THR 330.A N SER 283.A O no hydrogen 3.045 N/A ASP 331.A N ASN 335.A O no hydrogen 3.012 N/A THR 332.A N ALA 280.A O no hydrogen 2.988 N/A THR 332.A OG1 ALA 280.A O no hydrogen 3.474 N/A GLY 334.A N ASP 331.A O no hydrogen 2.960 N/A ASN 335.A N ASP 331.A OD2 no hydrogen 3.043 N/A ASN 335.A ND2 ASP 331.A OD1 no hydrogen 3.123 N/A GLN 337.A N ALA 329.A O no hydrogen 3.147 N/A GLN 337.A NE2 ASN 351.A O no hydrogen 2.941 N/A THR 341.A N GLU 340.A OE2 no hydrogen 3.172 N/A THR 341.A OG1 ASN 351.A OD1 no hydrogen 2.599 N/A ASN 344.A ND2 TYR 348.A O no hydrogen 2.699 N/A GLY 345.A N HIS 234.A O no hydrogen 2.704 N/A GLY 347.A N ASN 344.A OD1 no hydrogen 2.635 N/A TYR 348.A N ASN 344.A OD1 no hydrogen 2.904 N/A GLY 349.A N SER 92.A O no hydrogen 2.886 N/A HIS 350.A NE2 GLU 340.A OE2 no hydrogen 2.533 N/A ASN 351.A N THR 341.A OG1 no hydrogen 2.902 N/A ASN 351.A ND2 VAL 252.A O no hydrogen 2.848 N/A TRP 353.A N PRO 338.A O no hydrogen 2.958 N/A ARG 354.A N GLU 339.A O no hydrogen 3.090 N/A ARG 354.A NH1 ARG 354.A O no hydrogen 3.326 N/A ALA 357.A N ARG 354.A O no hydrogen 2.963 N/A VAL 358.A N LEU 325.A O no hydrogen 2.879 N/A LEU 360.A N TYR 323.A O no hydrogen 3.034 N/A THR 361.A N GLU 261.A O no hydrogen 3.186 N/A VAL 362.A N GLY 321.A O no hydrogen 2.743 N/A ALA 363.A N ALA 263.A O no hydrogen 2.815 N/A