Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1erk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N ASP 17.A OD2 no hydrogen 2.500 N/A ALA 2.A N ASP 17.A OD2 no hydrogen 2.883 N/A ALA 6.A N GLN 14.A O no hydrogen 3.007 N/A GLY 13.A N MET 10.A O no hydrogen 3.420 N/A PHE 16.A N ALA 4.A O no hydrogen 2.756 N/A ASP 17.A N ASP 17.A OD1 no hydrogen 2.526 N/A ARG 21.A NH1 ASP 41.A OD1 no hydrogen 2.934 N/A TYR 22.A OH ASP 85.A OD2 no hydrogen 2.665 N/A THR 23.A N TYR 40.A O no hydrogen 2.899 N/A THR 23.A OG1 TYR 40.A O no hydrogen 3.400 N/A ILE 28.A N VAL 36.A O no hydrogen 2.831 N/A CYS 37.A N ILE 50.A O no hydrogen 2.964 N/A CYS 37.A SG VAL 36.A O no hydrogen 3.571 N/A SER 38.A N SER 26.A O no hydrogen 3.016 N/A ALA 39.A N VAL 48.A O no hydrogen 2.949 N/A TYR 40.A N THR 23.A O no hydrogen 2.546 N/A TYR 40.A OH LYS 45.A O no hydrogen 2.880 N/A ASP 41.A N VAL 46.A O no hydrogen 2.578 N/A ASN 42.A N ARG 21.A O no hydrogen 3.176 N/A ASN 42.A ND2 THR 23.A OG1 no hydrogen 2.438 N/A ASN 44.A N ASP 41.A OD1 no hydrogen 3.383 N/A LYS 45.A N ASN 42.A O no hydrogen 3.034 N/A ARG 47.A NE SER 38.A OG no hydrogen 2.814 N/A ARG 47.A NH2 ASN 24.A O no hydrogen 3.073 N/A ARG 47.A NH2 SER 38.A OG no hydrogen 3.275 N/A VAL 48.A N ALA 39.A O no hydrogen 2.917 N/A ALA 49.A N GLN 102.A O no hydrogen 2.757 N/A ILE 50.A N CYS 37.A O no hydrogen 2.925 N/A LYS 51.A N ILE 100.A O no hydrogen 3.016 N/A LYS 51.A NZ GLN 102.A OE1 no hydrogen 3.041 N/A LYS 52.A N MET 35.A O no hydrogen 3.504 N/A LYS 52.A NZ ARG 12.A O no hydrogen 2.897 N/A LYS 52.A NZ VAL 15.A O no hydrogen 2.937 N/A ILE 53.A N VAL 98.A O no hydrogen 2.556 N/A HIS 58.A N PRO 55.A O no hydrogen 3.080 N/A GLN 59.A NE2 GLN 59.A O no hydrogen 2.625 N/A TYR 61.A N HIS 58.A O no hydrogen 3.223 N/A CYS 62.A SG PRO 55.A O no hydrogen 2.940 N/A CYS 62.A SG HIS 58.A O no hydrogen 3.578 N/A ARG 64.A N THR 60.A O no hydrogen 3.344 N/A ARG 64.A NE GLY 166.A O no hydrogen 3.023 N/A THR 65.A N TYR 61.A O no hydrogen 3.085 N/A THR 65.A OG1 TYR 61.A O no hydrogen 2.470 N/A LEU 66.A N CYS 62.A O no hydrogen 2.939 N/A ARG 67.A N GLN 63.A O no hydrogen 3.170 N/A ARG 67.A NE GLY 166.A O no hydrogen 3.193 N/A ARG 67.A NH2 GLN 63.A OE1 no hydrogen 2.534 N/A GLU 68.A N ARG 64.A O no hydrogen 3.036 N/A ILE 69.A N THR 65.A O no hydrogen 2.904 N/A LYS 70.A N LEU 66.A O no hydrogen 2.937 N/A ILE 71.A N ARG 67.A O no hydrogen 3.335 N/A LEU 72.A N GLU 68.A O no hydrogen 3.027 N/A LEU 73.A N ILE 69.A O no hydrogen 3.162 N/A ARG 74.A N ILE 71.A O no hydrogen 3.041 N/A PHE 75.A N ILE 71.A O no hydrogen 3.023 N/A ARG 76.A N TYR 136.A OH no hydrogen 3.054 N/A HIS 77.A NE2 ASN 79.A OD1 no hydrogen 3.184 N/A ASN 79.A ND2 GLN 129.A OE1 no hydrogen 3.336 N/A ASN 79.A ND2 LEU 160.A O no hydrogen 2.908 N/A ILE 80.A N HIS 77.A O no hydrogen 2.956 N/A ILE 81.A N ILE 162.A O no hydrogen 2.837 N/A ASN 84.A N VAL 101.A O no hydrogen 2.781 N/A ILE 87.A N TYR 99.A O no hydrogen 2.818 N/A ARG 88.A NE ALA 89.A O no hydrogen 3.157 N/A ARG 88.A NH1 THR 348.A OG1 no hydrogen 3.382 N/A THR 91.A OG1 GLU 93.A OE1 no hydrogen 3.061 N/A THR 91.A OG1 GLN 94.A OE1 no hydrogen 3.381 N/A GLU 93.A N GLU 93.A OE1 no hydrogen 2.734 N/A GLN 94.A N THR 91.A O no hydrogen 3.263 N/A GLN 94.A N THR 91.A OG1 no hydrogen 3.370 N/A MET 95.A N ILE 92.A O no hydrogen 3.331 N/A LYS 96.A NZ LYS 96.A O no hydrogen 2.695 N/A VAL 98.A N ILE 53.A O no hydrogen 2.939 N/A TYR 99.A N ILE 87.A O no hydrogen 3.008 N/A ILE 100.A N LYS 51.A O no hydrogen 3.077 N/A VAL 101.A N ASP 85.A O no hydrogen 2.695 N/A GLN 102.A N ALA 49.A O no hydrogen 2.846 N/A THR 107.A N LEU 154.A O no hydrogen 3.232 N/A THR 107.A OG1 ASP 108.A O no hydrogen 3.360 N/A ASP 108.A N THR 107.A OG1 no hydrogen 2.665 N/A LEU 109.A N LEU 152.A O no hydrogen 2.851 N/A TYR 110.A N PRO 149.A O no hydrogen 3.099 N/A LYS 111.A N ASP 108.A OD1 no hydrogen 2.942 N/A LEU 112.A N ASP 108.A O no hydrogen 3.151 N/A LEU 113.A N LEU 109.A O no hydrogen 2.765 N/A LYS 114.A N TYR 110.A O no hydrogen 3.142 N/A LYS 114.A N LYS 111.A O no hydrogen 3.092 N/A THR 115.A N LEU 112.A O no hydrogen 3.151 N/A THR 115.A OG1 LEU 112.A O no hydrogen 3.468 N/A GLN 116.A N LEU 112.A O no hydrogen 2.772 N/A SER 119.A OG HIS 122.A ND1 no hydrogen 3.098 N/A ASP 121.A N SER 119.A OG no hydrogen 3.155 N/A HIS 122.A N SER 119.A OG no hydrogen 3.283 N/A HIS 122.A ND1 SER 119.A OG no hydrogen 3.098 N/A ILE 123.A N SER 119.A O no hydrogen 2.761 N/A CYS 124.A N ASN 120.A O no hydrogen 2.999 N/A CYS 124.A SG TYR 309.A O no hydrogen 3.307 N/A TYR 125.A N ASP 121.A O no hydrogen 3.239 N/A PHE 126.A N HIS 122.A O no hydrogen 2.990 N/A LEU 127.A N ILE 123.A O no hydrogen 2.999 N/A TYR 128.A N CYS 124.A O no hydrogen 2.881 N/A TYR 128.A OH GLU 319.A OE2 no hydrogen 2.648 N/A GLN 129.A N TYR 125.A O no hydrogen 3.082 N/A GLN 129.A NE2 TYR 125.A O no hydrogen 3.525 N/A GLN 129.A NE2 CYS 158.A O no hydrogen 3.057 N/A ILE 130.A N PHE 126.A O no hydrogen 3.102 N/A LEU 131.A N LEU 127.A O no hydrogen 3.202 N/A ARG 132.A N TYR 128.A O no hydrogen 2.945 N/A ARG 132.A NE ASP 318.A O no hydrogen 2.774 N/A ARG 132.A NH1 GLU 78.A OE1 no hydrogen 3.040 N/A ARG 132.A NH1 ASN 79.A OD1 no hydrogen 3.014 N/A ARG 132.A NH2 GLU 78.A OE1 no hydrogen 2.819 N/A ARG 132.A NH2 GLU 78.A OE2 no hydrogen 3.115 N/A ARG 132.A NH2 ASP 318.A O no hydrogen 2.926 N/A GLY 133.A N GLN 129.A O no hydrogen 3.050 N/A LEU 134.A N ILE 130.A O no hydrogen 2.778 N/A LYS 135.A N LEU 131.A O no hydrogen 2.687 N/A LYS 135.A NZ GLU 319.A O no hydrogen 2.817 N/A TYR 136.A N GLY 133.A O no hydrogen 3.203 N/A ILE 137.A N GLY 133.A O no hydrogen 3.109 N/A HIS 138.A N LEU 134.A O no hydrogen 2.898 N/A HIS 138.A NE2 ASP 207.A OD2 no hydrogen 2.683 N/A SER 139.A N LYS 135.A O no hydrogen 3.146 N/A SER 139.A OG TYR 136.A O no hydrogen 2.574 N/A ALA 140.A N ILE 137.A O no hydrogen 3.077 N/A ASN 141.A N HIS 138.A O no hydrogen 2.835 N/A VAL 142.A N ILE 137.A O no hydrogen 3.365 N/A LEU 143.A N ARG 169.A O no hydrogen 2.740 N/A HIS 144.A N ASP 207.A OD2 no hydrogen 3.074 N/A HIS 144.A NE2 CYS 163.A O no hydrogen 2.886 N/A ARG 145.A N ASP 207.A OD1 no hydrogen 2.975 N/A ARG 145.A NE LEU 167.A O no hydrogen 2.858 N/A ARG 145.A NH2 LEU 167.A O no hydrogen 3.260 N/A ASP 146.A N HIS 144.A ND1 no hydrogen 3.121 N/A LYS 148.A NZ THR 187.A OG1 no hydrogen 2.671 N/A ASN 151.A N LYS 148.A O no hydrogen 2.837 N/A ASN 151.A ND2 ASP 164.A OD2 no hydrogen 2.908 N/A LEU 152.A N PRO 149.A O no hydrogen 3.432 N/A LEU 153.A N LYS 161.A O no hydrogen 2.855 N/A LEU 154.A N THR 107.A O no hydrogen 2.901 N/A ASN 155.A ND2 ASP 159.A OD2 no hydrogen 3.402 N/A THR 157.A N ASN 155.A OD1 no hydrogen 3.050 N/A THR 157.A OG1 ASN 155.A OD1 no hydrogen 3.119 N/A THR 157.A OG1 ASP 159.A OD2 no hydrogen 3.425 N/A CYS 158.A N ASN 155.A O no hydrogen 3.218 N/A ASP 159.A N ASN 155.A OD1 no hydrogen 3.183 N/A LEU 160.A N GLN 129.A OE1 no hydrogen 2.777 N/A LYS 161.A N LEU 153.A O no hydrogen 2.919 N/A LYS 161.A NZ GLU 78.A O no hydrogen 2.889 N/A ILE 162.A N ASN 79.A O no hydrogen 2.806 N/A CYS 163.A N ASN 151.A O no hydrogen 3.023 N/A CYS 163.A SG ASN 151.A O no hydrogen 3.706 N/A PHE 165.A N GLU 68.A OE2 no hydrogen 3.325 N/A ALA 168.A N PHE 165.A O no hydrogen 3.405 N/A ARG 169.A N LEU 143.A O no hydrogen 3.045 N/A ARG 169.A NH1 LEU 167.A O no hydrogen 3.554 N/A ALA 171.A N ASN 141.A O no hydrogen 2.808 N/A ASP 172.A N TYR 202.A O no hydrogen 3.051 N/A HIS 175.A N ASP 172.A O no hydrogen 3.036 N/A HIS 175.A ND1 ASP 172.A OD1 no hydrogen 3.142 N/A ASP 176.A N PRO 173.A O no hydrogen 3.385 N/A THR 178.A N ASN 198.A O no hydrogen 3.035 N/A LEU 181.A N MET 196.A O no hydrogen 3.360 N/A THR 187.A N ASP 146.A OD1 no hydrogen 3.099 N/A THR 187.A OG1 ASP 146.A OD1 no hydrogen 2.999 N/A TRP 189.A NE1 GLY 227.A O no hydrogen 3.135 N/A TYR 190.A N THR 187.A O no hydrogen 3.126 N/A TYR 190.A OH GLU 217.A OE1 no hydrogen 3.358 N/A TYR 190.A OH GLU 217.A OE2 no hydrogen 3.422 N/A ARG 191.A N ARG 188.A O no hydrogen 3.039 N/A ARG 191.A NE ALA 186.A O no hydrogen 3.062 N/A ARG 191.A NH2 ALA 186.A O no hydrogen 3.328 N/A GLU 194.A N GLU 194.A OE1 no hydrogen 2.735 N/A ILE 195.A N ALA 192.A O no hydrogen 3.016 N/A MET 196.A N PRO 193.A O no hydrogen 3.134 N/A ASN 198.A N GLU 194.A O no hydrogen 3.012 N/A SER 199.A OG ASP 176.A OD1 no hydrogen 3.250 N/A SER 199.A OG ASP 176.A OD2 no hydrogen 2.679 N/A LYS 200.A N ASP 176.A OD1 no hydrogen 3.092 N/A LYS 200.A NZ HIS 175.A O no hydrogen 2.680 N/A GLY 201.A N SER 199.A OG no hydrogen 3.021 N/A TYR 202.A N ASP 176.A OD1 no hydrogen 2.470 N/A LYS 204.A NZ HIS 138.A O no hydrogen 2.954 N/A ILE 206.A N THR 203.A O no hydrogen 3.093 N/A ASP 207.A N LYS 204.A O no hydrogen 2.821 N/A ILE 208.A N LYS 204.A O no hydrogen 3.423 N/A TRP 209.A N SER 205.A O no hydrogen 3.423 N/A SER 210.A OG TYR 190.A O no hydrogen 2.752 N/A VAL 211.A N ASP 207.A O no hydrogen 3.026 N/A GLY 212.A N ILE 208.A O no hydrogen 2.903 N/A CYS 213.A N TRP 209.A O no hydrogen 2.928 N/A CYS 213.A SG TRP 189.A O no hydrogen 3.914 N/A CYS 213.A SG TRP 209.A O no hydrogen 3.716 N/A ILE 214.A N SER 210.A O no hydrogen 3.008 N/A LEU 215.A N VAL 211.A O no hydrogen 3.113 N/A ALA 216.A N GLY 212.A O no hydrogen 3.273 N/A GLU 217.A N CYS 213.A O no hydrogen 3.141 N/A MET 218.A N ILE 214.A O no hydrogen 2.943 N/A LEU 219.A N LEU 215.A O no hydrogen 3.001 N/A LEU 219.A N ALA 216.A O no hydrogen 3.041 N/A SER 220.A N ALA 216.A O no hydrogen 3.098 N/A SER 220.A N GLU 217.A O no hydrogen 3.262 N/A SER 220.A OG ALA 216.A O no hydrogen 2.962 N/A SER 220.A OG ARG 222.A O no hydrogen 3.202 N/A ASN 221.A N GLU 217.A O no hydrogen 2.522 N/A ASN 221.A ND2 LEU 113.A O no hydrogen 2.727 N/A ASN 221.A ND2 GLN 116.A O no hydrogen 2.899 N/A GLY 227.A N PHE 225.A O no hydrogen 3.112 N/A GLY 227.A N GLN 233.A OE1 no hydrogen 2.805 N/A LYS 228.A N ASP 232.A OD2 no hydrogen 2.467 N/A GLN 233.A N HIS 229.A O no hydrogen 3.050 N/A GLN 233.A NE2 PHE 225.A O no hydrogen 2.805 N/A ASN 235.A N LEU 231.A O no hydrogen 3.073 N/A HIS 236.A N ASP 232.A O no hydrogen 3.221 N/A HIS 236.A N GLN 233.A O no hydrogen 3.359 N/A HIS 236.A ND1 ASP 232.A O no hydrogen 3.170 N/A ILE 237.A N GLN 233.A O no hydrogen 3.359 N/A LEU 238.A N LEU 234.A O no hydrogen 3.217 N/A GLY 239.A N ASN 235.A O no hydrogen 3.209 N/A GLY 239.A N HIS 236.A O no hydrogen 3.182 N/A ILE 240.A N ILE 237.A O no hydrogen 3.188 N/A LEU 241.A N ILE 237.A O no hydrogen 2.772 N/A GLY 242.A N LEU 238.A O no hydrogen 2.625 N/A SER 243.A N LYS 267.A O no hydrogen 2.751 N/A SER 243.A OG LYS 267.A O no hydrogen 3.537 N/A ASP 248.A N SER 245.A OG no hydrogen 3.379 N/A LEU 249.A N SER 245.A O no hydrogen 3.044 N/A ASN 250.A N GLN 246.A O no hydrogen 2.633 N/A ASN 250.A ND2 GLN 246.A OE1 no hydrogen 3.422 N/A CYS 251.A N ASP 248.A O no hydrogen 3.279 N/A CYS 251.A SG GLU 247.A O no hydrogen 3.501 N/A ILE 252.A N LEU 249.A O no hydrogen 2.874 N/A LYS 256.A NZ PHE 180.A O no hydrogen 3.498 N/A ARG 258.A N ASN 254.A O no hydrogen 2.877 N/A ARG 258.A NE ILE 252.A O no hydrogen 2.681 N/A ARG 258.A NH2 ILE 252.A O no hydrogen 2.734 N/A ASN 259.A N LEU 255.A O no hydrogen 2.884 N/A TYR 260.A N LYS 256.A O no hydrogen 3.257 N/A TYR 260.A N ALA 257.A O no hydrogen 3.296 N/A TYR 260.A OH ASN 235.A OD1 no hydrogen 2.772 N/A LEU 261.A N ALA 257.A O no hydrogen 3.319 N/A LEU 262.A N ARG 258.A O no hydrogen 3.196 N/A SER 263.A N ASN 259.A O no hydrogen 3.189 N/A SER 263.A N TYR 260.A O no hydrogen 3.066 N/A SER 263.A OG TYR 260.A O no hydrogen 2.742 N/A LYS 267.A N SER 243.A OG no hydrogen 2.943 N/A VAL 270.A N ILE 240.A O no hydrogen 2.842 N/A TRP 272.A NE1 ASP 288.A OD1 no hydrogen 3.063 N/A ARG 274.A N PRO 271.A O no hydrogen 2.952 N/A LEU 275.A N TRP 272.A O no hydrogen 2.545 N/A PHE 276.A N TRP 272.A O no hydrogen 2.700 N/A ALA 279.A N PHE 276.A O no hydrogen 3.323 N/A LYS 282.A N ASP 280.A OD1 no hydrogen 2.655 N/A LYS 282.A NZ GLU 311.A OE2 no hydrogen 2.890 N/A LEU 284.A N ASP 280.A O no hydrogen 3.251 N/A ASP 285.A N SER 281.A O no hydrogen 3.174 N/A LEU 286.A N LYS 282.A O no hydrogen 3.195 N/A LEU 287.A N ALA 283.A O no hydrogen 2.988 N/A ASP 288.A N LEU 284.A O no hydrogen 3.026 N/A LYS 289.A N ASP 285.A O no hydrogen 3.202 N/A LYS 289.A NZ ASP 285.A OD1 no hydrogen 3.417 N/A MET 290.A N LEU 286.A O no hydrogen 3.026 N/A LEU 291.A N LEU 287.A O no hydrogen 3.075 N/A THR 292.A OG1 ASP 288.A O no hydrogen 3.469 N/A THR 292.A OG1 LYS 289.A O no hydrogen 3.286 N/A ASN 294.A ND2 ASP 248.A OD1 no hydrogen 2.949 N/A HIS 296.A N ASN 294.A OD1 no hydrogen 2.749 N/A LYS 297.A N ASN 294.A O no hydrogen 2.851 N/A LYS 297.A NZ ASP 248.A OD1 no hydrogen 3.552 N/A ARG 298.A N ASN 294.A O no hydrogen 3.098 N/A ARG 298.A NE THR 292.A O no hydrogen 2.881 N/A ARG 298.A NH1 GLU 194.A OE2 no hydrogen 2.676 N/A ARG 298.A NH1 SER 205.A O no hydrogen 2.934 N/A ARG 298.A NH2 GLU 194.A OE1 no hydrogen 3.131 N/A ARG 298.A NH2 THR 292.A O no hydrogen 2.600 N/A ILE 299.A N LYS 289.A O no hydrogen 3.142 N/A GLU 300.A N GLN 303.A OE1 no hydrogen 3.028 N/A ALA 304.A N GLU 300.A O no hydrogen 2.915 N/A LEU 305.A N VAL 301.A O no hydrogen 3.092 N/A ALA 306.A N GLU 302.A O no hydrogen 3.199 N/A HIS 307.A N ALA 304.A O no hydrogen 3.078 N/A HIS 307.A NE2 ASP 285.A OD2 no hydrogen 2.797 N/A TYR 309.A N HIS 307.A ND1 no hydrogen 3.021 N/A LEU 310.A N HIS 307.A O no hydrogen 2.763 N/A GLU 311.A N PRO 308.A O no hydrogen 3.256 N/A TYR 313.A N LEU 310.A O no hydrogen 2.892 N/A TYR 314.A N LEU 310.A O no hydrogen 2.922 N/A ASP 315.A N GLU 319.A OE2 no hydrogen 3.004 N/A SER 317.A OG ASP 315.A OD1 no hydrogen 3.227 N/A ASP 318.A N ASP 315.A O no hydrogen 2.693 N/A ALA 322.A N SER 139.A OG no hydrogen 2.903 N/A PHE 326.A N ALA 140.A O no hydrogen 2.717 N/A LEU 340.A N PRO 336.A O no hydrogen 3.171 N/A LYS 341.A N LYS 337.A O no hydrogen 3.264 N/A LYS 341.A NZ ILE 92.A O no hydrogen 3.259 N/A LYS 341.A NZ MET 95.A O no hydrogen 2.788 N/A GLU 342.A N GLU 338.A O no hydrogen 3.268 N/A LEU 343.A N LEU 340.A O no hydrogen 2.659 N/A ILE 344.A N LEU 340.A O no hydrogen 2.606 N/A PHE 345.A N LYS 341.A O no hydrogen 3.049 N/A GLU 346.A N GLU 342.A O no hydrogen 3.446 N/A GLU 347.A N LEU 343.A O no hydrogen 3.026 N/A THR 348.A N ILE 344.A O no hydrogen 3.191 N/A THR 348.A OG1 ILE 344.A O no hydrogen 2.622 N/A THR 348.A OG1 PHE 345.A O no hydrogen 2.898 N/A ALA 349.A N GLU 346.A O no hydrogen 3.338 N/A ARG 350.A NH2 GLU 347.A O no hydrogen 3.364 N/A PHE 351.A N THR 348.A O no hydrogen 3.273 N/A ARG 356.A N GLY 354.A O no hydrogen 2.599 N/A ARG 356.A NE TYR 355.A O no hydrogen 3.092 N/A ARG 356.A NH2 TYR 355.A O no hydrogen 3.514 N/A