Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3maj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N THR 84.A OG1 no hydrogen 2.666 N/A VAL 4.A N GLU 83.A OE2 no hydrogen 2.905 N/A LEU 5.A N GLU 83.A OE2 no hydrogen 3.264 N/A THR 6.A N GLN 9.A OE1 no hydrogen 2.766 N/A THR 6.A OG1 GLN 9.A OE1 no hydrogen 3.484 N/A GLN 9.A N THR 6.A OG1 no hydrogen 3.020 N/A ARG 10.A N THR 6.A O no hydrogen 3.049 N/A ARG 10.A NH1 GLU 83.A OE1 no hydrogen 2.968 N/A ARG 10.A NH2 GLU 83.A OE2 no hydrogen 2.933 N/A ILE 11.A N GLU 7.A O no hydrogen 3.059 N/A ASP 12.A N ALA 8.A O no hydrogen 3.081 N/A TRP 13.A N GLN 9.A O no hydrogen 2.748 N/A ARG 14.A NE PRO 59.A O no hydrogen 3.005 N/A ARG 14.A NH2 PRO 59.A O no hydrogen 3.494 N/A LEU 15.A N ASP 12.A O no hydrogen 2.983 N/A ILE 16.A N TRP 13.A O no hydrogen 3.053 N/A ARG 17.A NE GLU 67.A OE1.B no hydrogen 2.830 N/A ARG 17.A NE GLU 67.A OE2.B no hydrogen 3.029 N/A ARG 17.A NH2 GLU 67.A OE2.B no hydrogen 2.772 N/A ALA 18.A N LEU 15.A O no hydrogen 3.110 N/A GLU 19.A N ARG 57.A O no hydrogen 2.897 N/A VAL 21.A N ALA 18.A O no hydrogen 3.197 N/A GLY 22.A N THR 25.A OG1 no hydrogen 3.148 N/A PHE 26.A N GLY 22.A O no hydrogen 2.873 N/A ARG 27.A N PRO 23.A O no hydrogen 3.114 N/A ARG 27.A NH1 ASP 94.A O no hydrogen 3.529 N/A SER 28.A N ARG 24.A O no hydrogen 3.136 N/A SER 28.A OG ARG 24.A O no hydrogen 3.074 N/A LEU 29.A N THR 25.A O no hydrogen 2.822 N/A ILE 30.A N PHE 26.A O no hydrogen 3.029 N/A ASN 31.A N ARG 27.A O no hydrogen 2.853 N/A HIS 32.A N SER 28.A O no hydrogen 2.827 N/A PHE 33.A N LEU 29.A O no hydrogen 2.784 N/A GLY 34.A N ILE 30.A O no hydrogen 2.938 N/A ALA 38.A N SER 35.A OG no hydrogen 3.076 N/A ALA 39.A N SER 35.A O no hydrogen 3.091 N/A LEU 40.A N ALA 36.A O no hydrogen 2.869 N/A GLU 41.A N ARG 37.A O.A no hydrogen 3.445 N/A ARG 42.A N ALA 39.A O no hydrogen 2.994 N/A ARG 42.A NE ALA 38.A O no hydrogen 2.830 N/A LEU 43.A N ALA 39.A O no hydrogen 3.067 N/A LEU 46.A N ARG 42.A O no hydrogen 2.812 N/A ALA 47.A N LEU 43.A O no hydrogen 3.231 N/A ARG 48.A N PRO 44.A O no hydrogen 3.164 N/A ARG 49.A N GLU 45.A O no hydrogen 2.919 N/A GLY 50.A N LEU 46.A O no hydrogen 2.721 N/A GLY 51.A N ARG 48.A O no hydrogen 2.980 N/A ALA 52.A N ALA 47.A O no hydrogen 3.128 N/A ARG 57.A N GLU 19.A OE1 no hydrogen 2.874 N/A GLU 63.A N SER 60.A OG no hydrogen 2.995 N/A ALA 64.A N SER 60.A O no hydrogen 3.203 N/A ARG 65.A N GLU 61.A O no hydrogen 2.909 N/A ARG 66.A N ASP 62.A O no hydrogen 2.895 N/A ARG 66.A NH1 ASP 62.A OD2 no hydrogen 3.170 N/A GLU 67.A N.A GLU 63.A O no hydrogen 3.000 N/A GLU 67.A N.B GLU 63.A O no hydrogen 2.991 N/A ILE 68.A N ALA 64.A O no hydrogen 3.048 N/A GLU 69.A N.A ARG 65.A O no hydrogen 2.883 N/A GLU 69.A N.B ARG 65.A O no hydrogen 2.843 N/A ALA 70.A N ARG 66.A O no hydrogen 2.705 N/A GLY 71.A N GLU 67.A O.A no hydrogen 3.107 N/A GLY 71.A N GLU 67.A O.B no hydrogen 3.159 N/A ARG 72.A N ILE 68.A O no hydrogen 3.159 N/A ARG 73.A N GLU 69.A O.A no hydrogen 2.990 N/A ARG 73.A N GLU 69.A O.B no hydrogen 3.081 N/A ILE 74.A N GLY 71.A O no hydrogen 3.074 N/A GLY 75.A N ARG 72.A O no hydrogen 3.049 N/A VAL 76.A N GLY 71.A O no hydrogen 2.829 N/A GLU 77.A N VAL 102.A O no hydrogen 2.957 N/A VAL 79.A N LEU 100.A O no hydrogen 2.834 N/A ALA 80.A N GLU 83.A OE1 no hydrogen 2.916 N/A GLU 83.A N ALA 80.A O no hydrogen 3.066 N/A THR 84.A N THR 2.A O no hydrogen 3.156 N/A TYR 86.A N GLU 83.A O no hydrogen 3.029 N/A TYR 86.A OH PRO 97.A O no hydrogen 2.576 N/A THR 88.A OG1 GLY 320.A O no hydrogen 3.385 N/A LEU 90.A N PRO 87.A O no hydrogen 3.007 N/A ALA 91.A N THR 88.A O no hydrogen 3.172 N/A THR 92.A N ARG 89.A O no hydrogen 3.202 N/A THR 92.A OG1 ARG 89.A O no hydrogen 2.586 N/A ILE 93.A N LEU 90.A O no hydrogen 3.314 N/A LEU 100.A N VAL 79.A O no hydrogen 2.836 N/A GLY 101.A N SER 198.A O no hydrogen 2.853 N/A VAL 102.A N GLU 77.A O no hydrogen 2.832 N/A HIS 103.A N ALA 196.A O no hydrogen 2.843 N/A ALA 108.A N LEU 105.A O no hydrogen 3.036 N/A VAL 111.A N ALA 108.A O no hydrogen 3.192 N/A ARG 113.A N VAL 111.A O no hydrogen 3.245 N/A ARG 113.A NH1 SER 164.A O no hydrogen 2.950 N/A ARG 113.A NH2 GLY 142.A O no hydrogen 2.990 N/A ARG 113.A NH2 SER 164.A O no hydrogen 3.206 N/A ALA 116.A N GLY 223.A O no hydrogen 2.913 N/A ILE 117.A N ILE 146.A O no hydrogen 3.130 N/A VAL 118.A N ALA 225.A O no hydrogen 2.975 N/A SER 120.A N GLU 228.A O no hydrogen 2.993 N/A SER 124.A N GLU 228.A OE1 no hydrogen 2.860 N/A SER 124.A OG GLU 228.A OE1 no hydrogen 3.521 N/A SER 124.A OG GLU 228.A OE2 no hydrogen 2.557 N/A GLY 127.A N SER 124.A OG no hydrogen 2.919 N/A LEU 128.A N SER 124.A O no hydrogen 2.942 N/A LYS 129.A N GLY 125.A O no hydrogen 3.099 N/A PHE 130.A N ALA 126.A O no hydrogen 2.909 N/A ALA 131.A N GLY 127.A O no hydrogen 2.876 N/A GLY 132.A N LEU 128.A O no hydrogen 3.010 N/A GLN 133.A N LYS 129.A O no hydrogen 2.988 N/A GLN 133.A NE2 ASP 137.A OD1 no hydrogen 2.802 N/A GLN 133.A NE2 ASP 137.A OD2 no hydrogen 3.535 N/A LEU 134.A N PHE 130.A O no hydrogen 2.817 N/A ALA 135.A N ALA 131.A O no hydrogen 2.980 N/A ALA 136.A N GLY 132.A O no hydrogen 2.997 N/A ASP 137.A N GLN 133.A O no hydrogen 2.864 N/A LEU 138.A N LEU 134.A O no hydrogen 2.837 N/A GLY 139.A N ALA 135.A O no hydrogen 2.961 N/A ALA 140.A N ALA 136.A O no hydrogen 2.900 N/A ALA 141.A N ASP 137.A O no hydrogen 3.098 N/A ALA 141.A N LEU 138.A O no hydrogen 3.076 N/A GLY 142.A N GLY 139.A O no hydrogen 2.941 N/A PHE 143.A N LEU 138.A O no hydrogen 2.995 N/A VAL 144.A N PRO 114.A O no hydrogen 2.900 N/A VAL 145.A N GLY 165.A O no hydrogen 3.192 N/A ILE 146.A N ILE 115.A O no hydrogen 2.996 N/A SER 147.A N VAL 167.A O no hydrogen 3.015 N/A SER 147.A OG ILE 117.A O no hydrogen 2.771 N/A GLY 148.A N SER 147.A OG no hydrogen 2.727 N/A GLY 148.A N ASP 154.A OD2 no hydrogen 2.959 N/A LEU 149.A N HIS 158.A NE2 no hydrogen 3.045 N/A ALA 150.A N ASP 154.A OD2 no hydrogen 3.188 N/A ILE 153.A N SER 120.A O no hydrogen 3.063 N/A GLN 155.A N ALA 150.A O no hydrogen 3.128 N/A GLN 155.A NE2 GLY 152.A O no hydrogen 2.905 N/A ALA 156.A N GLY 152.A O no hydrogen 3.338 N/A ALA 157.A N ILE 153.A O no hydrogen 3.015 N/A HIS 158.A N ASP 154.A O no hydrogen 2.851 N/A HIS 158.A ND1 THR 166.A OG1 no hydrogen 2.929 N/A ARG 159.A N GLN 155.A O no hydrogen 2.882 N/A ARG 159.A NE GLN 155.A OE1 no hydrogen 2.905 N/A ALA 160.A N ALA 156.A O no hydrogen 3.256 N/A SER 161.A N ALA 157.A O no hydrogen 3.175 N/A SER 161.A N HIS 158.A O no hydrogen 3.046 N/A SER 161.A OG ALA 157.A O no hydrogen 2.783 N/A SER 161.A OG HIS 158.A O no hydrogen 3.459 N/A SER 164.A OG SER 161.A O no hydrogen 3.431 N/A GLY 165.A N SER 161.A O no hydrogen 2.851 N/A THR 166.A OG1 VAL 145.A O no hydrogen 2.692 N/A THR 166.A OG1 HIS 158.A ND1 no hydrogen 2.929 N/A THR 166.A OG1 SER 161.A OG no hydrogen 3.404 N/A VAL 167.A N VAL 145.A O no hydrogen 2.819 N/A ALA 168.A N ALA 195.A O no hydrogen 2.935 N/A VAL 169.A N SER 147.A O no hydrogen 2.930 N/A LEU 170.A N ILE 197.A O no hydrogen 2.845 N/A GLY 173.A N HIS 203.A O no hydrogen 2.796 N/A HIS 174.A NE2 GLY 101.A O no hydrogen 2.815 N/A ASP 175.A N ASP 175.A OD1 no hydrogen 2.627 N/A LYS 176.A N GLY 173.A O no hydrogen 3.058 N/A GLU 181.A N GLU 181.A OE1 no hydrogen 2.692 N/A HIS 182.A N PRO 179.A O no hydrogen 2.870 N/A HIS 182.A ND1 LEU 149.A O no hydrogen 2.713 N/A GLU 183.A N ALA 180.A O no hydrogen 3.106 N/A LEU 186.A N HIS 182.A O no hydrogen 3.000 N/A LEU 187.A N GLU 183.A O no hydrogen 3.180 N/A ASP 188.A N ASP 184.A O no hydrogen 2.975 N/A ILE 189.A N LEU 185.A O no hydrogen 2.901 N/A ILE 190.A N LEU 186.A O no hydrogen 3.058 N/A GLN 191.A N LEU 187.A O no hydrogen 2.893 N/A THR 192.A N ASP 188.A O no hydrogen 2.952 N/A THR 192.A N ILE 189.A O no hydrogen 3.340 N/A THR 192.A OG1 LEU 162.A O no hydrogen 3.304 N/A THR 192.A OG1 ASP 188.A O no hydrogen 2.740 N/A THR 192.A OG1 ILE 189.A O no hydrogen 3.215 N/A ARG 193.A N.A ILE 190.A O no hydrogen 3.056 N/A ARG 193.A N.B ILE 190.A O no hydrogen 3.071 N/A GLY 194.A N ILE 189.A O no hydrogen 2.868 N/A ALA 195.A N THR 166.A O no hydrogen 3.142 N/A ALA 196.A N HIS 103.A O no hydrogen 2.961 N/A ILE 197.A N ALA 168.A O no hydrogen 2.798 N/A SER 198.A N GLY 101.A O no hydrogen 2.924 N/A SER 198.A OG GLY 172.A O no hydrogen 2.688 N/A LEU 201.A N GLU 67.A OE2.A no hydrogen 2.907 N/A GLY 202.A N ASP 175.A OD1 no hydrogen 2.802 N/A HIS 203.A N PRO 200.A O no hydrogen 3.165 N/A HIS 203.A NE2 ASP 209.A OD2 no hydrogen 2.754 N/A ARG 206.A N ASP 209.A OD2 no hydrogen 2.768 N/A ARG 206.A NE ASP 209.A OD2 no hydrogen 3.210 N/A ARG 206.A NH2 ASP 209.A OD1 no hydrogen 2.791 N/A ASP 209.A N ARG 206.A O no hydrogen 2.965 N/A PHE 210.A N GLY 207.A O no hydrogen 3.436 N/A ARG 213.A N ASP 209.A O no hydrogen 3.294 N/A ARG 213.A N PHE 210.A O no hydrogen 3.232 N/A ARG 213.A NE VAL 169.A O no hydrogen 3.353 N/A ARG 213.A NH1 GLY 148.A O no hydrogen 2.733 N/A ARG 213.A NH2 PHE 210.A O no hydrogen 3.285 N/A ASN 214.A N PRO 211.A O no hydrogen 3.191 N/A ARG 215.A NE ASP 95.A O no hydrogen 2.980 N/A ARG 215.A NH1 GLU 199.A OE2 no hydrogen 2.799 N/A ARG 215.A NH1 ARG 212.A O no hydrogen 2.961 N/A ARG 215.A NH2 ASP 95.A O no hydrogen 2.840 N/A ARG 215.A NH2 GLU 199.A OE1 no hydrogen 2.779 N/A ARG 215.A NH2 GLU 199.A OE2 no hydrogen 3.396 N/A LEU 216.A N ARG 213.A O no hydrogen 3.000 N/A SER 218.A N ASN 214.A O no hydrogen 3.177 N/A SER 218.A OG ASN 214.A O no hydrogen 3.492 N/A SER 218.A OG ARG 215.A O no hydrogen 3.265 N/A SER 218.A OG GLN 245.A OE1 no hydrogen 2.606 N/A GLY 219.A N ARG 215.A O no hydrogen 2.767 N/A ALA 220.A N LEU 216.A O no hydrogen 3.074 N/A SER 221.A N SER 218.A O no hydrogen 3.044 N/A SER 221.A OG SER 218.A O no hydrogen 2.886 N/A SER 221.A OG GLY 223.A O no hydrogen 3.017 N/A GLY 223.A N SER 221.A OG no hydrogen 3.046 N/A VAL 224.A N GLU 248.A O no hydrogen 3.032 N/A ALA 225.A N ALA 116.A O no hydrogen 2.658 N/A VAL 226.A N PHE 250.A O no hydrogen 2.762 N/A ILE 227.A N VAL 118.A O no hydrogen 2.950 N/A ALA 229.A N ARG 260.A O no hydrogen 2.841 N/A SER 233.A N ALA 230.A O no hydrogen 3.093 N/A SER 233.A OG SER 235.A OG no hydrogen 2.767 N/A SER 235.A OG SER 233.A OG no hydrogen 2.767 N/A LEU 236.A N SER 233.A O no hydrogen 3.113 N/A ILE 237.A N GLY 234.A O no hydrogen 2.986 N/A ALA 239.A N SER 235.A O no hydrogen 3.184 N/A ARG 240.A N LEU 236.A O no hydrogen 2.962 N/A ARG 241.A N ILE 237.A O no hydrogen 2.924 N/A ALA 242.A N THR 238.A O no hydrogen 2.873 N/A ALA 243.A N ALA 239.A O no hydrogen 2.975 N/A ASP 244.A N ARG 240.A O no hydrogen 3.056 N/A GLN 245.A N ARG 241.A O no hydrogen 2.950 N/A GLN 245.A NE2 ARG 215.A O no hydrogen 3.015 N/A GLY 246.A N ALA 243.A O no hydrogen 3.066 N/A ARG 247.A N ALA 242.A O no hydrogen 2.935 N/A ARG 247.A NE SER 221.A O no hydrogen 3.020 N/A ARG 247.A NH2 GLY 219.A O no hydrogen 2.955 N/A PHE 250.A N VAL 224.A O no hydrogen 2.805 N/A ALA 251.A N THR 273.A O no hydrogen 2.939 N/A VAL 252.A N VAL 226.A O no hydrogen 3.126 N/A GLY 254.A N ASN 265.A OD1 no hydrogen 3.246 N/A LEU 257.A N SER 255.A OG no hydrogen 3.216 N/A ASP 258.A N SER 255.A O no hydrogen 2.946 N/A ARG 260.A N ASP 258.A OD1 no hydrogen 2.996 N/A ARG 260.A NE ASN 122.A O no hydrogen 2.678 N/A ARG 260.A NH2 ASN 122.A OD1 no hydrogen 3.394 N/A ALA 261.A N ASP 258.A O no hydrogen 3.041 N/A ALA 262.A N PRO 259.A O no hydrogen 3.453 N/A GLY 263.A N ALA 229.A O no hydrogen 2.727 N/A THR 264.A OG1 VAL 252.A O no hydrogen 3.326 N/A THR 264.A OG1 ALA 261.A O no hydrogen 3.270 N/A ASN 265.A N ALA 261.A O no hydrogen 2.824 N/A ASN 265.A ND2 GLY 254.A O no hydrogen 2.956 N/A ASP 266.A N ALA 262.A O no hydrogen 3.070 N/A LEU 267.A N GLY 263.A O no hydrogen 2.981 N/A ILE 268.A N THR 264.A O no hydrogen 3.091 N/A LYS 269.A N ASN 265.A O no hydrogen 3.040 N/A GLN 270.A N ASP 266.A O no hydrogen 2.974 N/A GLY 271.A N ILE 268.A O no hydrogen 2.898 N/A ALA 272.A N LEU 267.A O no hydrogen 2.905 N/A THR 273.A N VAL 249.A O no hydrogen 2.900 N/A THR 273.A OG1 GLU 248.A OE2 no hydrogen 2.618 N/A ILE 275.A N ALA 251.A O no hydrogen 2.960 N/A THR 276.A N ASP 280.A OD2 no hydrogen 2.801 N/A THR 276.A OG1 ASP 280.A OD2 no hydrogen 3.513 N/A SER 277.A N ASP 280.A OD2 no hydrogen 3.154 N/A SER 277.A OG SER 279.A OG no hydrogen 3.016 N/A SER 279.A OG SER 277.A OG no hydrogen 3.016 N/A ASP 280.A N SER 277.A O no hydrogen 3.128 N/A VAL 282.A N ALA 278.A O no hydrogen 2.954 N/A GLU 283.A N SER 279.A O no hydrogen 2.893 N/A ALA 284.A N ASP 280.A O no hydrogen 3.256 N/A VAL 285.A N ILE 281.A O no hydrogen 2.955 N/A ALA 286.A N VAL 282.A O no hydrogen 3.005 N/A ILE 288.A N VAL 285.A O no hydrogen 2.932 N/A ASP 294.A N ASP 297.A OD2 no hydrogen 2.700 N/A ASP 297.A N ASP 294.A O no hydrogen 2.958 N/A ARG 298.A NE GLU 332.A OE1 no hydrogen 2.667 N/A ARG 298.A NE GLU 332.A OE2 no hydrogen 3.317 N/A ARG 298.A NH2 GLU 332.A OE2 no hydrogen 2.654 N/A ARG 300.A N GLY 296.A O no hydrogen 2.855 N/A ILE 301.A N ASP 297.A O no hydrogen 2.943 N/A LEU 302.A N ARG 298.A O no hydrogen 3.028 N/A ALA 303.A N THR 299.A O no hydrogen 3.083 N/A LEU 304.A N ILE 301.A O no hydrogen 2.963 N/A LEU 305.A N LEU 302.A O no hydrogen 3.104 N/A VAL 310.A N VAL 347.A O no hydrogen 2.909 N/A GLY 311.A N ASP 314.A OD2 no hydrogen 2.803 N/A LEU 315.A N GLY 311.A O no hydrogen 3.145 N/A ILE 316.A N ILE 312.A O no hydrogen 3.054 N/A ARG 317.A N ASP 313.A O no hydrogen 2.973 N/A ARG 317.A NH1 ASN 31.A OD1 no hydrogen 3.197 N/A ARG 317.A NH2 ASN 31.A OD1 no hydrogen 2.914 N/A ARG 317.A NH2 ASP 314.A OD1 no hydrogen 2.772 N/A LEU 318.A N ASP 314.A O no hydrogen 2.850 N/A SER 319.A N LEU 315.A O no hydrogen 2.951 N/A SER 319.A OG LEU 315.A O no hydrogen 2.711 N/A GLY 320.A N ILE 316.A O no hydrogen 2.850 N/A ILE 321.A N SER 319.A OG no hydrogen 3.225 N/A VAL 325.A N SER 322.A OG no hydrogen 3.344 N/A VAL 326.A N SER 322.A O no hydrogen 3.094 N/A ARG 327.A N PRO 323.A O no hydrogen 2.994 N/A THR 328.A N ALA 324.A O no hydrogen 3.101 N/A THR 328.A OG1 GLY 291.A O no hydrogen 2.872 N/A THR 328.A OG1 ALA 324.A O no hydrogen 2.978 N/A ILE 329.A N VAL 325.A O no hydrogen 3.017 N/A LEU 330.A N VAL 326.A O no hydrogen 3.007 N/A LEU 331.A N ARG 327.A O no hydrogen 2.961 N/A GLU 332.A N THR 328.A O no hydrogen 2.896 N/A LEU 333.A N ILE 329.A O no hydrogen 2.950 N/A GLU 334.A N LEU 330.A O no hydrogen 2.882 N/A LEU 335.A N LEU 331.A O no hydrogen 3.237 N/A ALA 336.A N GLU 332.A O no hydrogen 3.154 N/A GLY 337.A N GLU 334.A O no hydrogen 2.872 N/A ARG 338.A N LEU 333.A O no hydrogen 2.794 N/A GLU 340.A N SER 348.A O no hydrogen 2.954 N/A ARG 341.A NH1 GLU 334.A OE1 no hydrogen 2.798 N/A HIS 342.A N LEU 346.A O no hydrogen 2.675 N/A VAL 347.A N VAL 310.A O no hydrogen 2.836 N/A SER 348.A N GLU 340.A O no hydrogen 2.994 N/A SER 348.A OG GLY 306.A O no hydrogen 3.417 N/A SER 348.A OG PRO 307.A O no hydrogen 3.070 N/A LEU 349.A N GLY 306.A O no hydrogen 3.093 N/A