Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mm8_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 5.A OG1 ASP 6.A OD1 no hydrogen 2.416 N/A ARG 13.A NE TYR 11.A OH no hydrogen 2.875 N/A ASP 14.A N TYR 11.A O no hydrogen 3.173 N/A LEU 15.A N PHE 12.A O no hydrogen 2.861 N/A HIS 17.A NE2 ASP 76.A OD2 no hydrogen 2.757 N/A VAL 19.A N HIS 17.A ND1 no hydrogen 3.125 N/A ALA 21.A N HIS 17.A O no hydrogen 2.811 N/A LYS 22.A N PRO 18.A O no hydrogen 2.910 N/A LYS 22.A NZ ASP 46.A OD2 no hydrogen 2.716 N/A ASN 23.A N VAL 19.A O no hydrogen 3.138 N/A ASN 23.A ND2 VAL 19.A O no hydrogen 2.648 N/A ASN 23.A ND2 ASP 46.A OD2 no hydrogen 3.093 N/A TYR 24.A N ILE 20.A O no hydrogen 2.803 N/A LYS 26.A N ASN 23.A O no hydrogen 2.668 N/A LYS 28.A N VAL 41.A O no hydrogen 2.828 N/A TYR 29.A N VAL 41.A O no hydrogen 3.426 N/A GLU 31.A N LYS 39.A O no hydrogen 2.760 N/A VAL 33.A N VAL 37.A O no hydrogen 2.754 N/A LYS 34.A NZ ASP 98.A OD1 no hydrogen 2.753 N/A GLY 36.A N THR 115.A OG1 no hydrogen 2.834 N/A VAL 37.A N LYS 34.A O no hydrogen 2.898 N/A ILE 38.A N VAL 50.A O no hydrogen 2.904 N/A LYS 39.A N GLU 31.A O no hydrogen 2.784 N/A ARG 40.A N ILE 48.A O no hydrogen 2.786 N/A VAL 41.A N TYR 29.A O no hydrogen 2.966 N/A ALA 42.A N ASP 46.A O no hydrogen 2.715 N/A GLU 43.A N LYS 26.A O no hydrogen 3.018 N/A SER 44.A OG ASN 23.A OD1 no hydrogen 2.678 N/A SER 44.A OG ASP 46.A OD2 no hydrogen 2.958 N/A GLY 45.A N ALA 42.A O no hydrogen 2.885 N/A ASP 46.A N SER 44.A OG no hydrogen 3.071 N/A ILE 48.A N ARG 40.A O no hydrogen 2.881 N/A TYR 49.A N VAL 91.A O no hydrogen 2.703 N/A VAL 50.A N ILE 38.A O no hydrogen 2.660 N/A VAL 51.A N PHE 89.A O no hydrogen 2.767 N/A ARG 52.A N GLY 36.A O no hydrogen 2.782 N/A ARG 52.A NE GLU 88.A OE2 no hydrogen 2.589 N/A ARG 52.A NH1 GLY 114.A O no hydrogen 2.670 N/A ARG 52.A NH2 GLU 88.A OE2 no hydrogen 3.088 N/A PHE 53.A N VAL 87.A O no hydrogen 2.771 N/A GLY 54.A N PRO 111.A O no hydrogen 2.823 N/A THR 55.A OG1 ASN 85.A O no hydrogen 2.872 N/A ARG 57.A N THR 55.A OG1 no hydrogen 3.127 N/A LEU 58.A N PRO 56.A O no hydrogen 2.700 N/A TYR 62.A N SER 60.A OG no hydrogen 3.166 N/A THR 63.A N SER 60.A O no hydrogen 2.747 N/A VAL 64.A N SER 60.A O no hydrogen 3.023 N/A ARG 65.A N ILE 61.A O no hydrogen 2.963 N/A GLU 66.A N TYR 62.A O no hydrogen 3.144 N/A LEU 67.A N THR 63.A O no hydrogen 2.785 N/A CYS 68.A N VAL 64.A O no hydrogen 2.918 N/A CYS 68.A SG VAL 64.A O no hydrogen 3.280 N/A ASP 69.A N ARG 65.A O no hydrogen 3.000 N/A ILE 70.A N GLU 66.A O no hydrogen 3.163 N/A ALA 71.A N LEU 67.A O no hydrogen 2.898 N/A ASP 72.A N CYS 68.A O no hydrogen 2.963 N/A LYS 73.A N ASP 69.A O no hydrogen 3.114 N/A LYS 73.A N ILE 70.A O no hydrogen 2.992 N/A LYS 73.A NZ TYR 74.A OH no hydrogen 3.221 N/A LYS 73.A NZ GLU 103.A OE1 no hydrogen 2.746 N/A TYR 74.A N ILE 70.A O no hydrogen 2.925 N/A TYR 74.A OH GLU 103.A OE1 no hydrogen 2.624 N/A SER 75.A N ALA 71.A O no hydrogen 2.847 N/A SER 75.A OG ALA 71.A O no hydrogen 2.946 N/A SER 75.A OG TYR 78.A O no hydrogen 3.138 N/A GLY 77.A N ALA 71.A O no hydrogen 2.829 N/A TYR 78.A N SER 75.A O no hydrogen 3.070 N/A ARG 80.A N GLU 88.A O no hydrogen 3.015 N/A ARG 80.A NH1 GLU 88.A OE1 no hydrogen 3.059 N/A THR 82.A N ASN 86.A O no hydrogen 2.902 N/A ARG 84.A N THR 82.A OG1 no hydrogen 3.214 N/A ARG 84.A NE ASN 127.A O no hydrogen 3.019 N/A ARG 84.A NH2 ASN 127.A O no hydrogen 3.004 N/A ASN 85.A N THR 82.A O no hydrogen 3.025 N/A ASN 86.A N THR 82.A OG1 no hydrogen 2.990 N/A ASN 86.A ND2 PHE 53.A O no hydrogen 3.673 N/A VAL 87.A N PHE 53.A O no hydrogen 2.899 N/A GLU 88.A N ARG 80.A O no hydrogen 2.807 N/A PHE 89.A N VAL 51.A O no hydrogen 2.805 N/A VAL 91.A N TYR 49.A O no hydrogen 2.905 N/A SER 95.A N ASP 93.A OD1 no hydrogen 3.052 N/A SER 95.A OG ASP 93.A OD1 no hydrogen 2.857 N/A SER 95.A OG ASP 93.A OD2 no hydrogen 3.458 N/A LYS 96.A N ASP 93.A O no hydrogen 2.840 N/A ILE 97.A N GLU 94.A O no hydrogen 3.371 N/A LEU 100.A N LYS 96.A O no hydrogen 3.128 N/A ILE 101.A N ILE 97.A O no hydrogen 2.871 N/A ASN 102.A N ASP 98.A O no hydrogen 3.045 N/A ASN 102.A ND2 ASP 98.A O no hydrogen 2.740 N/A GLU 103.A N ASP 99.A O no hydrogen 3.007 N/A VAL 104.A N LEU 100.A O no hydrogen 2.835 N/A GLN 105.A N ILE 101.A O no hydrogen 3.279 N/A GLU 106.A N ASN 102.A O no hydrogen 2.999 N/A ARG 107.A N GLU 103.A O no hydrogen 2.884 N/A ARG 107.A NH1 GLU 103.A OE2 no hydrogen 3.046 N/A VAL 108.A N VAL 104.A O no hydrogen 2.836 N/A GLY 109.A N VAL 104.A O no hydrogen 3.167 N/A CYS 112.A SG PRO 35.A O no hydrogen 3.887 N/A CYS 112.A SG ARG 52.A O no hydrogen 3.570 N/A GLY 113.A N ARG 52.A O no hydrogen 2.972 N/A GLY 114.A N PHE 159.A O no hydrogen 2.961 N/A THR 115.A OG1 HIS 162.A NE2 no hydrogen 2.700 N/A ASP 117.A N GLU 122.A O no hydrogen 2.732 N/A VAL 119.A N ASP 117.A OD1 no hydrogen 2.952 N/A LYS 120.A N ASP 117.A OD2 no hydrogen 3.222 N/A GLU 122.A N ASP 117.A O no hydrogen 2.893 N/A TYR 123.A N LEU 164.A O no hydrogen 2.880 N/A TYR 123.A OH HIS 314.A ND1 no hydrogen 2.946 N/A GLY 124.A N THR 115.A O no hydrogen 3.004 N/A LEU 125.A N TYR 158.A O no hydrogen 2.963 N/A SER 126.A OG GLY 114.A O no hydrogen 3.333 N/A ASN 127.A ND2 THR 55.A O no hydrogen 2.551 N/A ASN 127.A ND2 ASN 85.A O no hydrogen 3.485 N/A ILE 128.A N ASN 127.A OD1 no hydrogen 2.819 N/A HIS 130.A ND1 ILE 128.A O no hydrogen 2.812 N/A TRP 134.A N ASP 143.A OD1 no hydrogen 3.133 N/A ILE 135.A N GLN 132.A O no hydrogen 3.121 N/A CYS 137.A N GLY 133.A O no hydrogen 3.131 N/A HIS 138.A N HIS 138.A ND1 no hydrogen 3.044 N/A ALA 141.A N CYS 174.A O no hydrogen 2.646 N/A ILE 142.A N CYS 174.A O no hydrogen 3.310 N/A GLY 146.A N ASP 143.A OD2 no hydrogen 2.748 N/A ILE 147.A N ASP 143.A O no hydrogen 3.313 N/A VAL 148.A N ALA 144.A O no hydrogen 3.025 N/A LYS 149.A N SER 145.A O no hydrogen 2.971 N/A LYS 149.A NZ ASP 153.A OD1 no hydrogen 2.813 N/A LYS 149.A NZ ASP 153.A OD2 no hydrogen 2.910 N/A ALA 150.A N GLY 146.A O no hydrogen 2.866 N/A VAL 151.A N ILE 147.A O no hydrogen 2.867 N/A MET 152.A N VAL 148.A O no hydrogen 2.852 N/A ASP 153.A N LYS 149.A O no hydrogen 2.904 N/A LEU 155.A N VAL 151.A O no hydrogen 2.992 N/A TYR 158.A N LEU 155.A O no hydrogen 2.749 N/A PHE 159.A N TYR 156.A O no hydrogen 2.918 N/A THR 160.A OG1 TYR 156.A O no hydrogen 3.544 N/A THR 160.A OG1 GLU 157.A O no hydrogen 3.220 N/A HIS 162.A N ASP 161.A OD2 no hydrogen 2.613 N/A HIS 162.A NE2 THR 115.A OG1 no hydrogen 2.700 N/A LEU 164.A N TYR 123.A O no hydrogen 2.901 N/A ARG 169.A N ASP 186.A OD1 no hydrogen 2.721 N/A SER 171.A N ILE 187.A O no hydrogen 2.910 N/A LEU 172.A N VAL 129.A O no hydrogen 2.881 N/A ALA 173.A N ILE 189.A O no hydrogen 2.730 N/A CYS 174.A SG THR 131.A OG1 no hydrogen 2.368 N/A CYS 175.A SG THR 139.A OG1 no hydrogen 3.610 N/A MET 178.A N CYS 175.A O no hydrogen 3.234 N/A CYS 179.A SG ASN 177.A OD1 no hydrogen 3.401 N/A ALA 184.A N ALA 181.A O no hydrogen 2.982 N/A SER 185.A N SER 279.A OG no hydrogen 3.072 N/A SER 185.A OG ARG 169.A O no hydrogen 3.020 N/A SER 185.A OG SER 171.A OG no hydrogen 3.321 N/A SER 185.A OG ILE 187.A O no hydrogen 2.811 N/A ILE 187.A N ARG 169.A O no hydrogen 3.012 N/A ILE 187.A N SER 185.A OG no hydrogen 3.256 N/A ALA 188.A N MET 264.A O no hydrogen 2.800 N/A ILE 189.A N SER 171.A O no hydrogen 2.774 N/A VAL 190.A N ALA 262.A O no hydrogen 2.965 N/A GLY 191.A N ALA 173.A O no hydrogen 2.889 N/A ILE 192.A N GLY 260.A O no hydrogen 2.906 N/A HIS 193.A ND1 ASP 259.A OD1 no hydrogen 2.665 N/A ARG 194.A NE ASN 258.A O no hydrogen 3.045 N/A THR 195.A OG1 LEU 253.A O no hydrogen 2.789 N/A ILE 198.A N PRO 252.A O no hydrogen 3.258 N/A ASN 200.A N GLY 250.A O no hydrogen 2.791 N/A ALA 203.A N ASN 200.A OD1 no hydrogen 3.046 N/A ILE 204.A N ASN 200.A O no hydrogen 2.908 N/A ARG 205.A N ASP 201.A O no hydrogen 3.108 N/A ARG 205.A NE ASN 228.A O no hydrogen 2.819 N/A ARG 205.A NH2 ASN 228.A O no hydrogen 3.272 N/A LYS 206.A N GLU 202.A O no hydrogen 3.187 N/A LYS 206.A NZ GLU 202.A OE2 no hydrogen 2.955 N/A THR 207.A N ALA 203.A O no hydrogen 2.965 N/A THR 207.A OG1 ALA 203.A O no hydrogen 2.848 N/A CYS 208.A N ILE 204.A O no hydrogen 2.995 N/A CYS 208.A SG THR 207.A OG1 no hydrogen 3.446 N/A SER 212.A N GLU 209.A OE1 no hydrogen 2.785 N/A SER 212.A OG GLU 209.A O no hydrogen 3.375 N/A SER 212.A OG GLU 209.A OE1 no hydrogen 2.541 N/A THR 213.A N GLU 209.A O no hydrogen 3.216 N/A THR 213.A OG1 GLU 209.A O no hydrogen 2.788 N/A VAL 214.A N ILE 210.A O no hydrogen 2.870 N/A ALA 215.A N PRO 211.A O no hydrogen 2.963 N/A ALA 216.A N SER 212.A O no hydrogen 3.137 N/A ALA 216.A N THR 213.A O no hydrogen 3.177 N/A CYS 217.A N VAL 214.A O no hydrogen 3.254 N/A CYS 217.A SG THR 219.A OG1 no hydrogen 3.154 N/A THR 219.A OG1 LYS 237.A O no hydrogen 2.975 N/A GLY 220.A N CYS 217.A O no hydrogen 3.380 N/A LYS 223.A N LYS 232.A O no hydrogen 2.955 N/A ASP 225.A N THR 230.A O no hydrogen 2.773 N/A LYS 229.A N MET 226.A O no hydrogen 3.244 N/A THR 230.A N ASP 225.A O no hydrogen 3.226 N/A THR 230.A OG1 ASP 201.A OD1 no hydrogen 2.760 N/A ILE 231.A N THR 230.A OG1 no hydrogen 2.563 N/A LYS 232.A N LYS 223.A O no hydrogen 2.837 N/A ASP 234.A N ALA 221.A O no hydrogen 2.830 N/A GLU 236.A N ASP 234.A OD1 no hydrogen 3.152 N/A LYS 237.A N ASP 234.A O no hydrogen 2.990 N/A CYS 238.A N VAL 235.A O no hydrogen 3.328 N/A ASN 243.A ND2 ALA 216.A O no hydrogen 2.802 N/A TYR 245.A N GLY 242.A O no hydrogen 3.054 N/A THR 246.A N GLY 242.A O no hydrogen 3.246 N/A MET 247.A N ASN 243.A O no hydrogen 3.225 N/A MET 251.A N CYS 248.A O no hydrogen 3.122 N/A GLU 257.A N ASP 255.A OD1 no hydrogen 3.028 N/A ASN 258.A N ASP 255.A O no hydrogen 2.990 N/A ASP 259.A N ASP 255.A O no hydrogen 2.767 N/A GLY 260.A N ILE 192.A O no hydrogen 3.258 N/A ALA 261.A N VAL 286.A O no hydrogen 2.891 N/A ALA 262.A N VAL 190.A O no hydrogen 2.801 N/A ILE 263.A N VAL 283.A O no hydrogen 2.989 N/A MET 264.A N ALA 188.A O no hydrogen 2.878 N/A VAL 265.A N LYS 280.A O no hydrogen 2.788 N/A GLY 266.A N ASP 186.A O no hydrogen 2.922 N/A GLY 267.A N SER 185.A O no hydrogen 2.819 N/A LYS 268.A N GLU 277.A O no hydrogen 3.091 N/A LYS 268.A NZ SER 270.A O no hydrogen 2.633 N/A LYS 268.A NZ SER 270.A OG no hydrogen 3.005 N/A LYS 268.A NZ ALA 272.A O no hydrogen 2.713 N/A LYS 268.A NZ ARG 274.A O no hydrogen 2.922 N/A ARG 273.A NE GLU 319.A OE1 no hydrogen 2.633 N/A ARG 273.A NH1 GLU 319.A OE2 no hydrogen 3.147 N/A ARG 274.A NE MET 275.A O no hydrogen 3.406 N/A ARG 274.A NH1 ASP 322.A OD2 no hydrogen 2.825 N/A GLU 277.A N LYS 268.A O no hydrogen 3.151 N/A SER 279.A N HIS 183.A O no hydrogen 2.763 N/A SER 279.A OG VAL 182.A O no hydrogen 3.326 N/A SER 279.A OG SER 185.A O no hydrogen 2.927 N/A LYS 280.A N VAL 265.A O no hydrogen 3.004 N/A LYS 280.A NZ GLU 277.A OE2 no hydrogen 2.986 N/A LYS 280.A NZ LEU 278.A O no hydrogen 2.936 N/A VAL 282.A N ILE 263.A O no hydrogen 2.770 N/A VAL 283.A N ILE 263.A O no hydrogen 3.094 N/A VAL 286.A N ALA 261.A O no hydrogen 2.833 N/A ASN 288.A ND2 ALA 141.A O no hydrogen 2.753 N/A ARG 292.A NH1 ASP 153.A OD2 no hydrogen 2.503 N/A ARG 292.A NH2 ASP 153.A OD2 no hydrogen 3.281 N/A TRP 293.A N GLU 289.A O no hydrogen 2.839 N/A TRP 293.A NE1 ASN 288.A OD1 no hydrogen 2.663 N/A THR 295.A N GLU 289.A OE1 no hydrogen 3.142 N/A THR 295.A OG1 GLU 289.A OE1 no hydrogen 2.600 N/A THR 295.A OG1 GLU 289.A OE2 no hydrogen 3.123 N/A VAL 297.A N TRP 293.A O no hydrogen 2.854 N/A LYS 298.A N PRO 294.A O no hydrogen 2.943 N/A TYR 299.A N THR 295.A O no hydrogen 3.311 N/A VAL 300.A N LEU 296.A O no hydrogen 3.069 N/A LYS 301.A N VAL 297.A O no hydrogen 3.012 N/A LYS 301.A NZ GLU 154.A OE2 no hydrogen 2.353 N/A GLN 302.A N LYS 298.A O no hydrogen 2.870 N/A GLN 302.A NE2 THR 333.A O no hydrogen 2.814 N/A ILE 303.A N TYR 299.A O no hydrogen 2.947 N/A LEU 304.A N VAL 300.A O no hydrogen 2.937 N/A GLU 305.A N LYS 301.A O no hydrogen 3.001 N/A ALA 306.A N GLN 302.A O no hydrogen 3.113 N/A TRP 307.A N ILE 303.A O no hydrogen 3.050 N/A TRP 307.A NE1 GLU 315.A O no hydrogen 2.780 N/A ALA 308.A N LEU 304.A O no hydrogen 2.803 N/A ALA 309.A N GLU 305.A O no hydrogen 2.951 N/A ASN 310.A N TRP 307.A O no hydrogen 3.078 N/A ALA 311.A N TRP 307.A O no hydrogen 2.762 N/A ASN 312.A N GLU 315.A OE2 no hydrogen 3.057 N/A LYS 313.A NZ LYS 120.A O no hydrogen 2.698 N/A HIS 314.A N PRO 165.A O no hydrogen 2.669 N/A HIS 314.A ND1 TYR 123.A OH no hydrogen 2.946 N/A GLU 315.A N ASN 312.A O no hydrogen 3.144 N/A ARG 316.A N GLU 319.A OE2 no hydrogen 3.097 N/A ARG 316.A NE ASP 186.A OD2 no hydrogen 3.348 N/A ARG 316.A NH2 ASP 186.A OD1 no hydrogen 3.004 N/A ARG 316.A NH2 ASP 186.A OD2 no hydrogen 3.533 N/A GLU 319.A N ARG 316.A O no hydrogen 2.858 N/A TRP 320.A N ARG 316.A O no hydrogen 2.923 N/A VAL 321.A N LEU 317.A O no hydrogen 2.945 N/A ASP 322.A N ILE 318.A O no hydrogen 2.923 N/A ARG 323.A N GLU 319.A O no hydrogen 3.153 N/A ARG 323.A N TRP 320.A O no hydrogen 2.928 N/A ARG 323.A NE GLU 315.A OE1 no hydrogen 3.251 N/A ARG 323.A NH2 ASN 310.A O no hydrogen 3.265 N/A ARG 323.A NH2 GLU 315.A OE2 no hydrogen 3.009 N/A ILE 324.A N TRP 320.A O no hydrogen 3.074 N/A GLY 325.A N VAL 321.A O no hydrogen 2.836 N/A GLU 327.A N GLU 327.A OE1 no hydrogen 2.688 N/A ARG 328.A NE GLU 331.A OE1 no hydrogen 2.870 N/A ARG 328.A NH2 GLU 331.A OE2 no hydrogen 3.077 N/A PHE 329.A N GLY 325.A O no hydrogen 3.223 N/A PHE 330.A N TRP 326.A O no hydrogen 3.008 N/A GLU 331.A N GLU 327.A O no hydrogen 3.236 N/A LEU 332.A N ARG 328.A O no hydrogen 2.712 N/A THR 333.A N PHE 329.A O no hydrogen 3.017 N/A THR 333.A OG1 PHE 329.A O no hydrogen 2.728 N/A GLY 334.A N GLU 331.A O no hydrogen 3.085 N/A LEU 335.A N PHE 330.A O no hydrogen 2.913 N/A THR 338.A OG1 HIS 340.A ND1 no hydrogen 2.763 N/A HIS 340.A ND1 THR 338.A OG1 no hydrogen 2.763 N/A LEU 341.A N THR 338.A O no hydrogen 2.994 N/A ILE 342.A N GLN 339.A O no hydrogen 2.930 N/A TYR 345.A N ASP 343.A OD1 no hydrogen 2.870 N/A ARG 346.A NE ARG 346.A O no hydrogen 2.979 N/A TYR 352.A N PRO 349.A O no hydrogen 3.386 N/A SER 353.A N TYR 350.A O no hydrogen 2.907 N/A SER 353.A OG TYR 350.A O no hydrogen 2.842 N/A GLU 354.A N PHE 351.A O no hydrogen 2.799 N/A PHE 355.A N TYR 352.A O no hydrogen 3.244 N/A ARG 356.A NH1 GLN 360.A O no hydrogen 2.895 N/A SER 358.A OG GLU 271.A OE1 no hydrogen 2.728 N/A THR 359.A N GLU 271.A OE1 no hydrogen 3.356 N/A THR 359.A N GLU 271.A OE2 no hydrogen 3.465 N/A GLN 360.A N SER 358.A OG no hydrogen 2.987 N/A