Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4neq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A N ASP 80.A OD2 no hydrogen 2.615 N/A LYS 1.A NZ GLU 77.A OE1 no hydrogen 2.997 N/A LEU 2.A N ASP 28.A O no hydrogen 2.884 N/A SER 3.A N VAL 81.A O no hydrogen 2.898 N/A SER 3.A OG HIS 30.A NE2 no hydrogen 2.792 N/A ILE 4.A N HIS 30.A O no hydrogen 2.935 N/A ILE 5.A N VAL 83.A O no hydrogen 2.991 N/A LEU 6.A N ILE 32.A O no hydrogen 2.916 N/A GLY 7.A N GLU 11.A OE2 no hydrogen 2.846 N/A ARG 9.A NE ASP 37.A OD1 no hydrogen 3.119 N/A ARG 9.A NH2 ASP 37.A OD1 no hydrogen 3.206 N/A GLU 11.A N THR 8.A OG1 no hydrogen 3.370 N/A ILE 12.A N THR 8.A O no hydrogen 3.000 N/A ILE 13.A N ARG 9.A O no hydrogen 2.943 N/A LYS 14.A N PRO 10.A O no hydrogen 3.042 N/A LYS 14.A NZ GLU 109.A OE1 no hydrogen 2.818 N/A LEU 15.A N GLU 11.A O no hydrogen 2.962 N/A LEU 15.A N ILE 12.A O no hydrogen 3.150 N/A SER 16.A N ILE 12.A O no hydrogen 2.830 N/A SER 16.A N ILE 13.A O no hydrogen 3.093 N/A SER 16.A OG ILE 13.A O no hydrogen 2.703 N/A ILE 18.A N LEU 15.A O no hydrogen 2.725 N/A ILE 19.A N LEU 15.A O no hydrogen 2.908 N/A ARG 20.A N SER 16.A O no hydrogen 2.873 N/A ARG 20.A NH1 GLN 168.A OE1 no hydrogen 2.445 N/A ARG 20.A NH1 ASN 169.A OD1 no hydrogen 3.261 N/A ARG 20.A NH2 LEU 44.A O no hydrogen 2.831 N/A ARG 20.A NH2 ASN 169.A OD1 no hydrogen 3.029 N/A ALA 21.A N PRO 17.A O no hydrogen 3.141 N/A LEU 22.A N ILE 18.A O no hydrogen 2.991 N/A GLU 23.A N ILE 19.A O no hydrogen 3.230 N/A LYS 24.A N ALA 21.A O no hydrogen 2.746 N/A THR 25.A N LEU 22.A O no hydrogen 3.240 N/A THR 25.A OG1 LEU 22.A O no hydrogen 2.585 N/A HIS 30.A N LEU 2.A O no hydrogen 2.945 N/A ILE 32.A N ILE 4.A O no hydrogen 2.852 N/A HIS 33.A N TYR 51.A O no hydrogen 2.843 N/A HIS 33.A ND1 ASN 52.A OD1 no hydrogen 2.950 N/A THR 34.A N LEU 6.A O no hydrogen 2.895 N/A THR 34.A OG1 LEU 6.A O no hydrogen 3.482 N/A THR 34.A OG1 THR 90.A OG1 no hydrogen 2.602 N/A ASN 35.A N LEU 53.A O no hydrogen 3.144 N/A PHE 40.A N ASP 37.A O no hydrogen 3.094 N/A PHE 41.A N ASP 37.A O no hydrogen 3.208 N/A GLU 42.A N LYS 38.A O no hydrogen 2.990 N/A GLU 43.A N ILE 39.A O no hydrogen 2.907 N/A LEU 44.A N PHE 40.A O no hydrogen 3.271 N/A ASN 45.A N GLU 42.A O no hydrogen 3.005 N/A LEU 46.A N PHE 41.A O no hydrogen 2.746 N/A LYS 50.A NZ GLU 77.A OE1 no hydrogen 3.535 N/A LYS 50.A NZ GLU 77.A OE2 no hydrogen 2.579 N/A TYR 51.A N ILE 31.A O no hydrogen 3.314 N/A TYR 51.A OH GLU 77.A OE2 no hydrogen 2.201 N/A LEU 53.A N HIS 33.A O no hydrogen 2.870 N/A THR 59.A N GLU 62.A OE2 no hydrogen 2.931 N/A GLN 63.A N THR 59.A O no hydrogen 2.663 N/A GLN 63.A NE2 GLY 56.A O no hydrogen 2.401 N/A THR 64.A N HIS 60.A O no hydrogen 2.985 N/A THR 64.A OG1 HIS 60.A O no hydrogen 3.308 N/A GLY 65.A N GLY 61.A O no hydrogen 2.908 N/A LYS 66.A N GLU 62.A O no hydrogen 2.873 N/A ILE 68.A N GLY 65.A O no hydrogen 2.975 N/A GLU 69.A N LYS 66.A O no hydrogen 2.913 N/A GLU 71.A N LEU 67.A O no hydrogen 3.033 N/A LYS 72.A N ILE 68.A O no hydrogen 3.029 N/A VAL 73.A N GLU 69.A O no hydrogen 3.036 N/A LEU 74.A N ILE 70.A O no hydrogen 2.902 N/A LEU 75.A N GLU 71.A O no hydrogen 2.924 N/A LYS 76.A N LYS 72.A O no hydrogen 3.045 N/A GLU 77.A N VAL 73.A O no hydrogen 2.777 N/A LYS 78.A N LEU 74.A O no hydrogen 2.940 N/A LYS 78.A NZ LYS 76.A O no hydrogen 3.291 N/A ASP 80.A N LYS 1.A O no hydrogen 2.824 N/A VAL 81.A N LYS 1.A O no hydrogen 3.294 N/A VAL 82.A N ASP 104.A O no hydrogen 2.909 N/A VAL 83.A N SER 3.A O no hydrogen 2.822 N/A VAL 84.A N ALA 106.A O no hydrogen 3.055 N/A GLN 85.A NE2 GLU 109.A OE1 no hydrogen 2.970 N/A THR 88.A OG1 GLU 11.A OE1 no hydrogen 2.965 N/A ASN 89.A ND2 HIS 60.A ND1 no hydrogen 3.178 N/A THR 90.A OG1 THR 34.A OG1 no hydrogen 2.602 N/A LEU 92.A N THR 88.A O no hydrogen 3.417 N/A ALA 93.A N ASN 89.A O no hydrogen 2.882 N/A GLY 94.A N THR 90.A O no hydrogen 2.847 N/A ALA 95.A N VAL 91.A O no hydrogen 2.961 N/A LEU 96.A N LEU 92.A O no hydrogen 2.853 N/A VAL 97.A N ALA 93.A O no hydrogen 2.930 N/A ALA 98.A N GLY 94.A O no hydrogen 2.935 N/A SER 99.A N ALA 95.A O no hydrogen 2.910 N/A LYS 100.A N LEU 96.A O no hydrogen 2.946 N/A LEU 101.A N VAL 97.A O no hydrogen 2.894 N/A LYS 102.A N SER 99.A O no hydrogen 3.296 N/A ILE 103.A N ALA 98.A O no hydrogen 2.850 N/A ALA 106.A N VAL 82.A O no hydrogen 2.786 N/A HIS 107.A N TYR 133.A O no hydrogen 2.842 N/A HIS 107.A ND1 ASP 128.A OD1 no hydrogen 2.518 N/A HIS 107.A NE2 GLY 86.A O no hydrogen 2.670 N/A VAL 108.A N VAL 84.A O no hydrogen 2.958 N/A ALA 110.A N PHE 135.A O no hydrogen 3.043 N/A ARG 113.A NE GLU 148.A OE2 no hydrogen 2.846 N/A ARG 113.A NH1 LEU 112.A O no hydrogen 2.937 N/A ARG 113.A NH1 ASP 128.A OD2 no hydrogen 2.919 N/A ARG 113.A NH2 ASP 128.A OD2 no hydrogen 2.984 N/A ARG 113.A NH2 GLU 148.A OE2 no hydrogen 2.352 N/A SER 114.A N GLU 121.A OE1 no hydrogen 3.039 N/A SER 114.A OG GLU 121.A OE1 no hydrogen 3.476 N/A ASP 116.A N SER 114.A OG no hydrogen 3.378 N/A ASN 123.A N PRO 119.A O no hydrogen 2.955 N/A ASN 123.A ND2 ASP 87.A O no hydrogen 2.808 N/A ASN 123.A ND2 ASN 89.A OD1 no hydrogen 3.442 N/A ARG 124.A N GLU 120.A O no hydrogen 2.915 N/A VAL 125.A N GLU 121.A O no hydrogen 2.938 N/A LEU 126.A N ILE 122.A O no hydrogen 2.836 N/A THR 127.A N ASN 123.A O no hydrogen 2.941 N/A THR 127.A OG1 ASN 123.A O no hydrogen 2.893 N/A ASP 128.A N ARG 124.A O no hydrogen 2.936 N/A HIS 129.A N VAL 125.A O no hydrogen 2.963 N/A HIS 129.A ND1 VAL 125.A O no hydrogen 3.133 N/A HIS 129.A NE2 GLU 148.A O no hydrogen 3.018 N/A ILE 130.A N LEU 126.A O no hydrogen 2.944 N/A ILE 130.A N THR 127.A O no hydrogen 3.182 N/A SER 131.A N ASP 128.A O no hydrogen 3.245 N/A SER 131.A OG THR 127.A O no hydrogen 2.940 N/A SER 132.A N VAL 105.A O no hydrogen 2.715 N/A TYR 133.A N VAL 105.A O no hydrogen 3.042 N/A LEU 134.A N LYS 154.A O no hydrogen 2.810 N/A PHE 135.A N HIS 107.A O no hydrogen 3.028 N/A ALA 141.A N THR 138.A OG1 no hydrogen 3.004 N/A LYS 142.A N THR 138.A O no hydrogen 3.160 N/A ASN 143.A N GLU 139.A O no hydrogen 2.868 N/A ASN 144.A N ILE 140.A O no hydrogen 2.975 N/A ASN 144.A ND2 GLY 111.A O no hydrogen 3.216 N/A LEU 145.A N ALA 141.A O no hydrogen 3.005 N/A LEU 146.A N LYS 142.A O no hydrogen 2.823 N/A ARG 147.A N ASN 143.A O no hydrogen 2.857 N/A GLY 149.A N LEU 146.A O no hydrogen 3.052 N/A ILE 150.A N LEU 145.A O no hydrogen 3.218 N/A ASN 153.A N GLU 151.A OE2 no hydrogen 3.321 N/A LYS 154.A N GLU 151.A O no hydrogen 2.888 N/A ILE 155.A N GLU 152.A O no hydrogen 3.152 N/A PHE 156.A N LEU 134.A O no hydrogen 2.845 N/A VAL 158.A N ALA 136.A O no hydrogen 3.000 N/A ASN 160.A N PHE 337.A O no hydrogen 2.739 N/A ASN 160.A ND2 GLU 109.A OE2 no hydrogen 2.734 N/A THR 161.A OG1 LYS 14.A O no hydrogen 2.334 N/A ILE 162.A N ASN 160.A OD1 no hydrogen 2.672 N/A VAL 163.A N ASN 160.A O no hydrogen 3.430 N/A ALA 165.A N THR 161.A O no hydrogen 2.845 N/A THR 166.A N ILE 162.A O no hydrogen 2.881 N/A THR 166.A OG1 ILE 162.A O no hydrogen 3.073 N/A THR 166.A OG1 GLU 284.A OE1 no hydrogen 3.422 N/A LEU 167.A N VAL 163.A O no hydrogen 2.979 N/A GLN 168.A N ASP 164.A O no hydrogen 2.916 N/A ASN 169.A N ALA 165.A O no hydrogen 2.857 N/A ASN 169.A ND2 TYR 262.A OH no hydrogen 3.085 N/A LEU 170.A N THR 166.A O no hydrogen 2.983 N/A LYS 171.A N LEU 167.A O no hydrogen 3.041 N/A ILE 172.A N GLN 168.A O no hydrogen 2.948 N/A ALA 173.A N ASN 169.A O no hydrogen 2.877 N/A GLU 174.A N LEU 170.A O no hydrogen 2.933 N/A GLU 174.A N LYS 171.A O no hydrogen 3.181 N/A LYS 175.A N LYS 171.A O no hydrogen 3.387 N/A LYS 175.A N ILE 172.A O no hydrogen 3.291 N/A VAL 179.A N ASN 176.A O no hydrogen 2.837 N/A VAL 179.A N ASN 176.A OD1 no hydrogen 3.061 N/A ARG 180.A N ASN 176.A O no hydrogen 2.754 N/A ALA 181.A N GLU 177.A O no hydrogen 2.920 N/A PHE 183.A N VAL 179.A O no hydrogen 2.865 N/A ASN 184.A N ARG 180.A O no hydrogen 2.949 N/A SER 185.A N PHE 182.A O no hydrogen 2.900 N/A SER 185.A OG PHE 182.A O no hydrogen 2.835 N/A VAL 186.A N PHE 183.A O no hydrogen 3.105 N/A VAL 187.A N PHE 183.A O no hydrogen 3.126 N/A TYR 192.A OH LEU 267.A O no hydrogen 2.684 N/A PHE 193.A N ALA 226.A O no hydrogen 2.897 N/A LEU 194.A N LEU 273.A O no hydrogen 3.206 N/A LEU 195.A N ILE 228.A O no hydrogen 2.902 N/A THR 196.A N LEU 275.A O no hydrogen 2.792 N/A HIS 198.A N ASP 277.A OD1 no hydrogen 3.213 N/A HIS 198.A N ASP 277.A OD2 no hydrogen 2.583 N/A ARG 199.A N ASP 277.A OD2 no hydrogen 3.142 N/A ASN 202.A N ARG 199.A O no hydrogen 3.035 N/A ASN 202.A ND2 ASP 277.A OD2 no hydrogen 3.518 N/A ASN 202.A ND2 LEU 295.A O no hydrogen 3.253 N/A VAL 203.A N ARG 199.A O no hydrogen 3.106 N/A ASP 204.A N ALA 200.A O no hydrogen 3.032 N/A GLU 207.A N ASN 205.A OD1 no hydrogen 2.868 N/A ARG 208.A N ASN 205.A OD1 no hydrogen 3.223 N/A ARG 208.A NH2 ASP 297.A OD2 no hydrogen 3.070 N/A LEU 209.A N ASN 205.A O no hydrogen 3.035 N/A LYS 210.A N LYS 206.A O no hydrogen 2.975 N/A ASN 211.A N GLU 207.A O no hydrogen 2.908 N/A ASN 211.A ND2 ASP 315.A OD1 no hydrogen 3.233 N/A ILE 212.A N ARG 208.A O no hydrogen 2.917 N/A VAL 213.A N LEU 209.A O no hydrogen 2.953 N/A GLU 214.A N LYS 210.A O no hydrogen 2.985 N/A GLY 215.A N ASN 211.A O no hydrogen 2.867 N/A ILE 216.A N ILE 212.A O no hydrogen 2.912 N/A PHE 217.A N VAL 213.A O no hydrogen 3.028 N/A GLU 218.A N GLU 214.A O no hydrogen 2.900 N/A ILE 219.A N GLY 215.A O no hydrogen 2.950 N/A ILE 220.A N ILE 216.A O no hydrogen 2.870 N/A GLU 221.A N PHE 217.A O no hydrogen 2.914 N/A ILE 222.A N GLU 218.A O no hydrogen 2.963 N/A TYR 223.A N ILE 219.A O no hydrogen 2.914 N/A ASP 224.A N ILE 220.A O no hydrogen 2.588 N/A LYS 225.A NZ ASP 191.A OD2 no hydrogen 3.153 N/A ILE 227.A N LYS 253.A O no hydrogen 3.218 N/A ILE 228.A N PHE 193.A O no hydrogen 2.925 N/A PHE 229.A N LYS 255.A O no hydrogen 2.921 N/A ILE 231.A N ILE 257.A O no hydrogen 3.175 N/A THR 235.A OG1 LEU 197.A O no hydrogen 3.094 N/A LYS 236.A N HIS 232.A O no hydrogen 3.451 N/A LYS 237.A N PRO 233.A O no hydrogen 2.961 N/A ARG 238.A N ARG 234.A O no hydrogen 2.973 N/A LEU 239.A N LYS 236.A O no hydrogen 3.288 N/A LYS 240.A N LYS 236.A O no hydrogen 2.967 N/A GLU 241.A N LYS 237.A O no hydrogen 2.951 N/A PHE 242.A N ARG 238.A O no hydrogen 3.353 N/A LEU 244.A N LEU 239.A O no hydrogen 2.917 N/A PHE 245.A N LEU 239.A O no hydrogen 2.935 N/A LEU 248.A N LEU 244.A O no hydrogen 3.338 N/A LYS 249.A N PHE 245.A O no hydrogen 2.944 N/A SER 250.A N ASP 246.A O no hydrogen 2.928 N/A SER 250.A OG ASP 246.A O no hydrogen 2.276 N/A ASN 251.A N LYS 247.A O no hydrogen 3.237 N/A LYS 253.A N ASN 251.A OD1 no hydrogen 2.788 N/A LYS 253.A NZ ASP 224.A O no hydrogen 3.253 N/A LYS 253.A NZ ASP 224.A OD2 no hydrogen 3.568 N/A ILE 254.A N ASN 251.A O no hydrogen 3.149 N/A LYS 255.A N ILE 227.A O no hydrogen 2.825 N/A LYS 255.A NZ ILE 256.A O no hydrogen 3.101 N/A ILE 257.A N PHE 229.A O no hydrogen 2.913 N/A PHE 265.A N GLY 261.A O no hydrogen 3.037 N/A LEU 266.A N TYR 262.A O no hydrogen 2.976 N/A GLU 268.A N PHE 265.A O no hydrogen 2.928 N/A LYS 269.A N LEU 266.A O no hydrogen 2.989 N/A LYS 269.A NZ GLU 174.A OE2 no hydrogen 3.201 N/A LYS 269.A NZ ASN 270.A OD1 no hydrogen 3.482 N/A ALA 271.A N GLU 268.A O no hydrogen 3.252 N/A GLU 272.A N TYR 192.A O no hydrogen 2.921 N/A ILE 274.A N PRO 291.A O no hydrogen 3.001 N/A LEU 275.A N LEU 194.A O no hydrogen 2.834 N/A THR 276.A N ILE 293.A O no hydrogen 2.971 N/A THR 276.A OG1 THR 196.A OG1 no hydrogen 2.410 N/A SER 278.A N THR 276.A OG1 no hydrogen 3.021 N/A VAL 281.A N SER 278.A OG no hydrogen 3.377 N/A GLN 282.A N SER 278.A O no hydrogen 3.143 N/A GLN 282.A NE2 SER 278.A O no hydrogen 3.525 N/A GLU 283.A N GLY 279.A O no hydrogen 3.013 N/A GLU 284.A N GLY 280.A O no hydrogen 2.929 N/A ALA 285.A N VAL 281.A O no hydrogen 2.922 N/A CYS 286.A N GLN 282.A O no hydrogen 2.963 N/A ILE 287.A N GLU 283.A O no hydrogen 2.971 N/A LEU 288.A N GLU 284.A O no hydrogen 2.848 N/A VAL 290.A N ALA 285.A O no hydrogen 2.998 N/A CYS 292.A N ALA 309.A O no hydrogen 2.902 N/A CYS 292.A SG ILE 274.A O no hydrogen 4.019 N/A CYS 292.A SG ASN 310.A OD1 no hydrogen 3.546 N/A ILE 293.A N ILE 274.A O no hydrogen 2.862 N/A THR 294.A N ILE 311.A O no hydrogen 2.966 N/A THR 294.A OG1 ASN 310.A OD1 no hydrogen 2.778 N/A LEU 295.A N THR 276.A O no hydrogen 2.933 N/A ARG 296.A NE GLU 201.A OE1 no hydrogen 3.107 N/A ARG 296.A NH2 GLU 201.A OE1 no hydrogen 2.827 N/A THR 299.A N ASN 298.A OD1 no hydrogen 2.683 N/A THR 299.A OG1 GLN 282.A OE1 no hydrogen 2.780 N/A GLU 300.A N GLU 300.A OE1 no hydrogen 3.250 N/A ARG 301.A N THR 299.A OG1 no hydrogen 3.058 N/A GLU 303.A N GLU 303.A OE1 no hydrogen 2.584 N/A THR 304.A N ARG 301.A O no hydrogen 3.205 N/A THR 304.A OG1 ARG 301.A O no hydrogen 2.789 N/A VAL 305.A N PRO 302.A O no hydrogen 2.913 N/A GLU 306.A N PRO 302.A O no hydrogen 3.131 N/A VAL 307.A N GLU 303.A O no hydrogen 3.065 N/A GLY 308.A N VAL 305.A O no hydrogen 3.274 N/A ASN 310.A ND2 GLN 282.A OE1 no hydrogen 2.495 N/A ASN 310.A ND2 THR 304.A OG1 no hydrogen 2.756 N/A ILE 311.A N CYS 292.A O no hydrogen 3.053 N/A VAL 313.A N THR 294.A O no hydrogen 3.028 N/A GLY 314.A N THR 294.A O no hydrogen 3.394 N/A ASN 316.A N VAL 313.A O no hydrogen 3.309 N/A GLU 318.A N ASN 316.A OD1 no hydrogen 2.585 N/A LYS 319.A N ASN 316.A OD1 no hydrogen 3.185 N/A LYS 319.A NZ VAL 313.A O no hydrogen 3.490 N/A LEU 320.A N ASN 316.A O no hydrogen 3.192 N/A ILE 321.A N LYS 317.A O no hydrogen 2.958 N/A LYS 322.A N GLU 318.A O no hydrogen 2.938 N/A ALA 323.A N LYS 319.A O no hydrogen 2.871 N/A VAL 324.A N LEU 320.A O no hydrogen 2.918 N/A GLU 325.A N ILE 321.A O no hydrogen 3.038 N/A ILE 326.A N LYS 322.A O no hydrogen 3.020 N/A ASN 328.A N ILE 326.A O no hydrogen 3.198 N/A ASN 328.A ND2 GLU 325.A O no hydrogen 3.159 N/A ARG 331.A NH1 LYS 289.A O no hydrogen 3.397 N/A ASN 332.A N LYS 330.A O no hydrogen 2.929 N/A TRP 333.A NE1 CYS 286.A O no hydrogen 2.922 N/A PHE 337.A N ASN 335.A OD1 no hydrogen 2.951 N/A LYS 341.A N ASN 339.A OD1 no hydrogen 2.900 N/A SER 342.A N ASP 164.A OD1 no hydrogen 3.026 N/A SER 342.A OG VAL 158.A O no hydrogen 2.468 N/A SER 342.A OG ASN 160.A O no hydrogen 3.569 N/A GLY 343.A N ASP 164.A OD2 no hydrogen 2.748 N/A ARG 345.A N LYS 341.A O no hydrogen 3.074 N/A ILE 346.A N SER 342.A O no hydrogen 2.866 N/A VAL 347.A N GLY 343.A O no hydrogen 2.960 N/A ARG 348.A N GLU 344.A O no hydrogen 2.833 N/A ILE 349.A N ARG 345.A O no hydrogen 2.918 N/A LEU 350.A N ILE 346.A O no hydrogen 2.901 N/A THR 351.A N VAL 347.A O no hydrogen 2.920 N/A THR 351.A OG1 VAL 347.A O no hydrogen 3.031 N/A TYR 352.A N ARG 348.A O no hydrogen 2.944 N/A GLY 353.A N ILE 349.A O no hydrogen 3.081 N/A