Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ugu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N LEU 17.A O no hydrogen 3.013 N/A LYS 6.A N ILE 15.A O no hydrogen 2.927 N/A SER 8.A N VAL 13.A O no hydrogen 2.842 N/A SER 8.A OG ASP 10.A OD1 no hydrogen 2.761 N/A SER 8.A OG VAL 13.A O no hydrogen 3.381 N/A SER 8.A OG LYS 152.A O no hydrogen 3.295 N/A ASP 10.A N LYS 152.A O no hydrogen 2.821 N/A LYS 11.A N SER 8.A O no hydrogen 2.950 N/A LYS 11.A NZ SER 8.A O no hydrogen 3.460 N/A LYS 11.A NZ ARG 9.A O no hydrogen 3.293 N/A SER 12.A N ASP 10.A OD1 no hydrogen 2.920 N/A SER 12.A OG ASP 10.A OD1 no hydrogen 2.594 N/A SER 12.A OG ASP 10.A OD2 no hydrogen 3.241 N/A VAL 13.A N SER 8.A OG no hydrogen 3.275 N/A THR 14.A N LEU 37.A O no hydrogen 2.870 N/A ILE 15.A N LYS 6.A O no hydrogen 2.883 N/A TYR 16.A N VAL 35.A O no hydrogen 2.906 N/A LEU 17.A N PHE 4.A O no hydrogen 2.967 N/A LYS 19.A NZ GLU 30.A OE1 no hydrogen 2.698 N/A TYR 22.A N ARG 160.A O no hydrogen 2.768 N/A TYR 22.A OH LYS 19.A O no hydrogen 2.765 N/A ILE 23.A N GLU 30.A OE1 no hydrogen 2.956 N/A ASP 24.A N VAL 162.A O no hydrogen 2.806 N/A HIS 25.A N ARG 28.A O no hydrogen 3.029 N/A HIS 25.A ND1 GLU 27.A OE1 no hydrogen 3.142 N/A VAL 26.A N ASP 24.A OD1 no hydrogen 2.893 N/A GLU 27.A N HIS 25.A O no hydrogen 2.713 N/A GLU 30.A N ILE 23.A O no hydrogen 2.932 N/A VAL 32.A N LEU 105.A O no hydrogen 2.818 N/A GLY 34.A N PHE 103.A O no hydrogen 2.979 N/A VAL 35.A N TYR 16.A O no hydrogen 3.255 N/A VAL 36.A N TYR 101.A O no hydrogen 2.755 N/A LEU 37.A N THR 14.A O no hydrogen 2.844 N/A VAL 38.A N ASN 99.A O no hydrogen 3.011 N/A ASP 39.A N SER 12.A O no hydrogen 3.042 N/A GLU 41.A N ASP 39.A OD1 no hydrogen 3.003 N/A LEU 42.A N ASP 39.A O no hydrogen 2.943 N/A VAL 43.A N ASP 39.A O no hydrogen 3.088 N/A LYS 46.A N VAL 43.A O no hydrogen 2.840 N/A LYS 46.A NZ LEU 42.A O no hydrogen 3.037 N/A ARG 47.A N THR 139.A O no hydrogen 2.982 N/A ARG 47.A NH1 GLN 74.A OE1 no hydrogen 2.782 N/A VAL 48.A N PHE 76.A O no hydrogen 2.761 N/A TYR 49.A N PHE 137.A O no hydrogen 2.848 N/A VAL 50.A N VAL 73.A O no hydrogen 2.862 N/A SER 51.A N LYS 135.A O no hydrogen 2.755 N/A LEU 52.A N SER 71.A O no hydrogen 2.797 N/A THR 53.A N GLU 133.A O no hydrogen 2.984 N/A CYS 54.A N TYR 69.A O no hydrogen 2.906 N/A ALA 55.A N ASP 131.A O no hydrogen 2.913 N/A PHE 56.A N ARG 66.A O no hydrogen 2.833 N/A ARG 57.A N GLY 129.A O no hydrogen 2.928 N/A ARG 57.A NE ASP 131.A OD2 no hydrogen 2.694 N/A TYR 58.A N PHE 64.A O no hydrogen 2.937 N/A TYR 58.A OH ASP 238.A OD2 no hydrogen 2.481 N/A GLY 59.A N SER 127.A O no hydrogen 2.800 N/A PHE 64.A N TYR 58.A O no hydrogen 2.896 N/A ARG 66.A N PHE 56.A O no hydrogen 2.883 N/A LEU 68.A N CYS 54.A O no hydrogen 2.741 N/A TYR 69.A N CYS 54.A O no hydrogen 3.270 N/A SER 71.A N LEU 52.A O no hydrogen 2.985 N/A VAL 73.A N VAL 50.A O no hydrogen 2.858 N/A GLN 74.A NE2 PRO 77.A O no hydrogen 2.916 N/A VAL 75.A N VAL 48.A O no hydrogen 2.858 N/A PHE 76.A N VAL 48.A O no hydrogen 3.278 N/A THR 85.A OG1 GLU 90.A OE2 no hydrogen 2.782 N/A THR 86.A N GLN 89.A OE1 no hydrogen 2.868 N/A THR 86.A OG1 ASP 33.A OD2 no hydrogen 2.689 N/A ARG 87.A NE GLU 90.A OE1 no hydrogen 3.209 N/A ARG 87.A NH2 GLU 90.A OE1 no hydrogen 3.336 N/A ARG 87.A NH2 GLU 90.A OE2 no hydrogen 2.600 N/A GLN 89.A N THR 86.A OG1 no hydrogen 3.232 N/A GLN 89.A NE2 GLY 34.A O no hydrogen 3.121 N/A GLU 90.A N THR 86.A O no hydrogen 2.962 N/A SER 91.A N ARG 87.A O no hydrogen 2.935 N/A LEU 92.A N LEU 88.A O no hydrogen 3.003 N/A ILE 93.A N GLN 89.A O no hydrogen 2.886 N/A LYS 94.A N GLU 90.A O no hydrogen 2.991 N/A LYS 95.A N SER 91.A O no hydrogen 3.039 N/A LEU 96.A N LEU 92.A O no hydrogen 2.785 N/A GLY 97.A N ILE 93.A O no hydrogen 2.973 N/A THR 100.A N GLY 97.A O no hydrogen 3.248 N/A THR 100.A OG1 GLY 97.A O no hydrogen 2.834 N/A TYR 101.A N VAL 36.A O no hydrogen 2.810 N/A PHE 103.A N GLY 34.A O no hydrogen 2.941 N/A LEU 105.A N VAL 32.A O no hydrogen 2.910 N/A CYS 113.A SG ASP 24.A OD2 no hydrogen 3.594 N/A CYS 113.A SG GLN 163.A OE1 no hydrogen 3.587 N/A SER 114.A N LYS 161.A O no hydrogen 2.861 N/A MET 116.A N LEU 280.A O no hydrogen 2.808 N/A LEU 117.A N.A CYS 128.A O no hydrogen 2.957 N/A LEU 117.A N.B CYS 128.A O no hydrogen 2.951 N/A ALA 120.A N ASP 123.A OD2 no hydrogen 2.712 N/A GLN 122.A N GLN 122.A OE1 no hydrogen 2.711 N/A ASP 123.A N ALA 120.A O no hydrogen 2.913 N/A LYS 126.A N TYR 58.A OH no hydrogen 3.011 N/A LYS 126.A NZ VAL 124.A O no hydrogen 3.536 N/A CYS 128.A N LEU 117.A O.A no hydrogen 3.277 N/A CYS 128.A N LEU 117.A O.B no hydrogen 3.227 N/A GLY 129.A N ARG 57.A O no hydrogen 3.055 N/A VAL 130.A N VAL 115.A O no hydrogen 2.741 N/A ASP 131.A N ALA 55.A O no hydrogen 2.911 N/A GLU 133.A N THR 53.A O no hydrogen 2.956 N/A ILE 134.A N LEU 157.A O no hydrogen 2.914 N/A LYS 135.A N SER 51.A O no hydrogen 2.978 N/A ALA 136.A N VAL 155.A O no hydrogen 2.929 N/A PHE 137.A N TYR 49.A O no hydrogen 3.033 N/A ALA 138.A N SER 153.A O no hydrogen 3.312 N/A THR 139.A N ARG 47.A O no hydrogen 2.699 N/A HIS 140.A N LYS 148.A O no hydrogen 3.138 N/A THR 142.A N GLU 145.A O no hydrogen 2.696 N/A THR 142.A OG1 GLU 145.A O no hydrogen 3.501 N/A THR 142.A OG1 GLU 145.A OE1 no hydrogen 2.871 N/A GLU 145.A N THR 142.A OG1 no hydrogen 2.985 N/A LYS 148.A N HIS 140.A O no hydrogen 2.509 N/A LYS 148.A NZ HIS 140.A NE2 no hydrogen 3.208 N/A LYS 148.A NZ GLU 145.A OE1 no hydrogen 3.507 N/A SER 153.A N PRO 150.A O no hydrogen 3.210 N/A SER 153.A OG ASP 10.A OD2 no hydrogen 2.697 N/A SER 154.A N LYS 151.A O no hydrogen 3.051 N/A SER 154.A OG LYS 151.A O no hydrogen 2.857 N/A VAL 155.A N ALA 136.A O no hydrogen 2.843 N/A ARG 156.A NH1 GLU 133.A OE2 no hydrogen 2.657 N/A LEU 157.A N ILE 134.A O no hydrogen 2.825 N/A ILE 159.A N PHE 132.A O no hydrogen 3.063 N/A ARG 160.A N ARG 20.A O no hydrogen 2.843 N/A ARG 160.A NE ASP 21.A OD1 no hydrogen 2.939 N/A ARG 160.A NH1 ASP 281.A O no hydrogen 3.052 N/A ARG 160.A NH2 ASP 21.A OD2 no hydrogen 2.928 N/A LYS 161.A N SER 114.A OG no hydrogen 3.106 N/A LYS 161.A NZ ASP 24.A OD2 no hydrogen 2.704 N/A LYS 161.A NZ LEU 111.A O no hydrogen 3.212 N/A LYS 161.A NZ PRO 112.A O no hydrogen 2.946 N/A VAL 162.A N TYR 22.A O no hydrogen 2.820 N/A GLN 163.A NE2 ASP 24.A OD1 no hydrogen 3.545 N/A GLN 163.A NE2 HIS 164.A O no hydrogen 2.943 N/A HIS 164.A N ASP 24.A O no hydrogen 2.784 N/A HIS 164.A ND1 PRO 343.A O no hydrogen 2.890 N/A ALA 165.A N HIS 342.A O no hydrogen 2.878 N/A ARG 167.A N GLU 27.A OE2 no hydrogen 2.835 N/A ASP 168.A N ASP 168.A OD1 no hydrogen 2.533 N/A GLY 170.A N GLU 197.A OE1 no hydrogen 2.953 N/A GLN 172.A NE2 LEU 194.A O no hydrogen 2.914 N/A ARG 174.A NE GLN 172.A OE1 no hydrogen 3.154 N/A ALA 175.A N VAL 192.A O no hydrogen 2.888 N/A ALA 177.A N LEU 190.A O no hydrogen 2.831 N/A TRP 179.A N LEU 188.A O no hydrogen 2.895 N/A SER 184.A N PHE 181.A O no hydrogen 3.184 N/A LYS 186.A N SER 184.A OG no hydrogen 3.215 N/A LYS 186.A NZ GLU 216.A OE2 no hydrogen 2.905 N/A LEU 188.A N TRP 179.A O no hydrogen 2.920 N/A ARG 189.A N THR 212.A O no hydrogen 2.917 N/A ARG 189.A NE GLU 176.A OE2 no hydrogen 2.963 N/A LEU 190.A N ALA 177.A O no hydrogen 2.840 N/A ALA 191.A N ALA 210.A O no hydrogen 2.929 N/A VAL 192.A N ALA 175.A O no hydrogen 2.918 N/A SER 193.A N THR 208.A O no hydrogen 2.996 N/A LEU 194.A N PRO 173.A O no hydrogen 3.116 N/A SER 195.A OG TYR 199.A OH no hydrogen 2.672 N/A LYS 196.A N TYR 199.A OH no hydrogen 3.051 N/A LYS 196.A NZ GLU 203.A OE2 no hydrogen 2.690 N/A TYR 199.A N ARG 339.A O no hydrogen 2.883 N/A TYR 199.A OH SER 195.A OG no hydrogen 2.672 N/A TYR 200.A N GLU 203.A OE1 no hydrogen 2.904 N/A HIS 201.A N MET 341.A O no hydrogen 3.046 N/A HIS 201.A NE2 SER 293.A OG no hydrogen 3.002 N/A GLU 203.A N TYR 200.A O no hydrogen 2.926 N/A ILE 205.A N LEU 265.A O no hydrogen 2.712 N/A VAL 207.A N LEU 263.A O no hydrogen 2.728 N/A THR 208.A N SER 193.A O no hydrogen 2.914 N/A THR 208.A OG1 THR 262.A OG1 no hydrogen 2.948 N/A VAL 209.A N LYS 261.A O no hydrogen 2.848 N/A ALA 210.A N ALA 191.A O no hydrogen 2.842 N/A VAL 211.A N LEU 259.A O no hydrogen 2.757 N/A THR 212.A N ARG 189.A O no hydrogen 2.875 N/A ASN 213.A N SER 257.A O.A no hydrogen 2.858 N/A ASN 213.A N SER 257.A O.B no hydrogen 2.943 N/A ASN 213.A ND2 LYS 217.A O no hydrogen 2.932 N/A ASN 213.A ND2 VAL 253.A O no hydrogen 3.471 N/A ASN 213.A ND2 PRO 254.A O no hydrogen 3.130 N/A SER 214.A N PRO 187.A O no hydrogen 3.010 N/A THR 215.A N ASN 213.A OD1 no hydrogen 3.054 N/A THR 215.A OG1 ASN 213.A OD1 no hydrogen 2.765 N/A THR 215.A OG1 LYS 217.A O no hydrogen 3.521 N/A LYS 217.A N THR 215.A OG1 no hydrogen 2.964 N/A LYS 217.A NZ SER 321.A O no hydrogen 3.000 N/A LYS 217.A NZ GLU 326.A OE1 no hydrogen 2.877 N/A THR 218.A N SER 321.A OG no hydrogen 2.944 N/A VAL 219.A N VAL 253.A O no hydrogen 2.779 N/A LYS 220.A N THR 319.A O no hydrogen 2.755 N/A LYS 223.A N LYS 317.A O no hydrogen 2.885 N/A VAL 224.A N GLU 247.A O no hydrogen 2.752 N/A LEU 225.A N LYS 315.A O no hydrogen 2.870 N/A VAL 226.A N ALA 245.A O no hydrogen 2.926 N/A GLU 227.A N GLN 313.A O no hydrogen 2.898 N/A GLN 228.A N LYS 242.A O no hydrogen 2.785 N/A GLN 228.A NE2 ALA 279.A O no hydrogen 2.832 N/A GLN 228.A NE2 TYR 312.A OH no hydrogen 2.896 N/A VAL 229.A N SER 311.A O no hydrogen 2.828 N/A THR 230.A N TYR 240.A O no hydrogen 2.857 N/A ASN 231.A N LEU 309.A O no hydrogen 2.885 N/A VAL 232.A N ASP 238.A O no hydrogen 2.887 N/A VAL 233.A N GLY 307.A O no hydrogen 2.868 N/A SER 236.A N LEU 234.A O no hydrogen 2.700 N/A SER 236.A OG ASP 238.A OD1 no hydrogen 2.754 N/A ASP 238.A N SER 236.A O no hydrogen 3.015 N/A TYR 240.A N THR 230.A O no hydrogen 2.889 N/A LYS 242.A N GLN 228.A O no hydrogen 2.882 N/A LYS 242.A NZ ASP 123.A OD1 no hydrogen 3.094 N/A LYS 242.A NZ ASP 123.A OD2 no hydrogen 3.279 N/A VAL 244.A N VAL 226.A O no hydrogen 2.857 N/A GLU 247.A N VAL 224.A O no hydrogen 2.788 N/A ALA 249.A N ILE 222.A O no hydrogen 2.944 N/A VAL 253.A N VAL 219.A O no hydrogen 2.889 N/A ASN 256.A N THR 215.A O no hydrogen 3.288 N/A SER 257.A N.A ASN 213.A O no hydrogen 3.034 N/A SER 257.A N.B ASN 213.A O no hydrogen 3.053 N/A SER 257.A OG.A PRO 254.A O no hydrogen 3.416 N/A SER 257.A OG.A PRO 255.A O no hydrogen 2.889 N/A SER 257.A OG.B PRO 254.A O no hydrogen 2.662 N/A LEU 259.A N VAL 211.A O no hydrogen 2.887 N/A LYS 261.A N VAL 209.A O no hydrogen 2.890 N/A LYS 261.A NZ GLU 251.A OE1 no hydrogen 3.228 N/A THR 262.A OG1 THR 208.A OG1 no hydrogen 2.948 N/A LEU 263.A N VAL 207.A O no hydrogen 2.880 N/A LEU 265.A N ILE 205.A O no hydrogen 2.999 N/A ASN 271.A N LEU 268.A O no hydrogen 3.094 N/A ASN 271.A ND2 VAL 244.A O no hydrogen 2.805 N/A ASN 271.A ND2 VAL 266.A O no hydrogen 2.850 N/A ASN 272.A N LEU 269.A O no hydrogen 3.352 N/A ARG 275.A NH1.A ARG 273.A O no hydrogen 3.225 N/A ARG 276.A N GLU 274.A OE2 no hydrogen 2.899 N/A ARG 276.A NE GLU 274.A OE2 no hydrogen 2.931 N/A ARG 276.A NH2 GLU 274.A OE1 no hydrogen 2.871 N/A GLY 277.A N GLN 118.A O no hydrogen 2.582 N/A ALA 279.A N GLN 228.A OE1 no hydrogen 2.814 N/A LEU 280.A N MET 116.A O no hydrogen 2.902 N/A ASP 281.A N ASN 290.A O no hydrogen 2.990 N/A HIS 286.A N LYS 283.A O no hydrogen 3.049 N/A ASP 288.A N HIS 286.A ND1 no hydrogen 2.981 N/A THR 289.A N HIS 286.A O no hydrogen 3.297 N/A THR 289.A OG1 LYS 283.A O no hydrogen 2.661 N/A THR 289.A OG1 HIS 286.A O no hydrogen 3.480 N/A ASN 290.A N ASP 281.A OD1 no hydrogen 2.810 N/A ALA 292.A N ALA 279.A O no hydrogen 2.916 N/A SER 293.A OG HIS 201.A NE2 no hydrogen 3.002 N/A SER 294.A N LEU 340.A O no hydrogen 2.831 N/A SER 294.A OG LEU 340.A O no hydrogen 3.519 N/A THR 295.A N VAL 310.A O no hydrogen 2.914 N/A THR 295.A OG1 VAL 310.A O no hydrogen 3.520 N/A LYS 298.A NZ ASP 109.A OD1 no hydrogen 3.145 N/A LYS 298.A NZ ASP 109.A OD2 no hydrogen 3.278 N/A ILE 301.A N LYS 298.A O no hydrogen 3.052 N/A THR 304.A N ASP 302.A OD1 no hydrogen 3.029 N/A THR 304.A OG1 ASP 302.A OD1 no hydrogen 2.924 N/A THR 304.A OG1 ASP 302.A OD2 no hydrogen 3.325 N/A VAL 305.A N ASP 302.A O no hydrogen 3.013 N/A MET 306.A N LYS 303.A O no hydrogen 3.038 N/A GLY 307.A N THR 304.A O no hydrogen 3.108 N/A ILE 308.A N MET 306.A O no hydrogen 2.861 N/A LEU 309.A N ASN 231.A O no hydrogen 2.826 N/A VAL 310.A N THR 295.A OG1 no hydrogen 2.739 N/A SER 311.A N VAL 229.A O no hydrogen 2.866 N/A SER 311.A OG VAL 229.A O no hydrogen 3.493 N/A TYR 312.A OH ALA 292.A O no hydrogen 2.547 N/A GLN 313.A N GLU 227.A O no hydrogen 3.034 N/A GLN 313.A NE2 GLU 227.A OE1 no hydrogen 2.794 N/A ILE 314.A N VAL 336.A O.A no hydrogen 2.883 N/A ILE 314.A N VAL 336.A O.B no hydrogen 2.710 N/A LYS 315.A N LEU 225.A O no hydrogen 2.902 N/A VAL 316.A N THR 334.A O no hydrogen 2.914 N/A LYS 317.A N LYS 223.A O no hydrogen 2.771 N/A LEU 318.A N VAL 332.A O no hydrogen 2.827 N/A THR 319.A N LYS 221.A O no hydrogen 2.948 N/A VAL 320.A N SER 330.A O no hydrogen 2.787 N/A SER 321.A N THR 218.A O no hydrogen 2.884 N/A LEU 323.A N GLU 326.A OE1 no hydrogen 2.656 N/A GLU 326.A N LEU 323.A O no hydrogen 2.927 N/A THR 328.A OG1 SER 329.A O no hydrogen 2.816 N/A SER 330.A N VAL 320.A O no hydrogen 2.979 N/A VAL 332.A N LEU 318.A O no hydrogen 3.013 N/A THR 334.A N VAL 316.A O no hydrogen 3.137 N/A VAL 336.A N.A ILE 314.A O no hydrogen 2.736 N/A VAL 336.A N.B ILE 314.A O no hydrogen 2.712 N/A PHE 338.A N TYR 312.A O no hydrogen 3.356 N/A ARG 339.A N GLU 197.A O no hydrogen 2.886 N/A ARG 339.A NE GLU 197.A OE2 no hydrogen 2.765 N/A ARG 339.A NH2 GLU 197.A OE1 no hydrogen 2.930 N/A LEU 340.A N SER 294.A OG no hydrogen 2.879 N/A MET 341.A N TYR 199.A O no hydrogen 3.064 N/A HIS 342.A N GLN 163.A O no hydrogen 2.918 N/A GLN 344.A NE2 PRO 166.A O no hydrogen 3.127 N/A