Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1tfa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N SER 30.A O no hydrogen 2.917 N/A ARG 5.A N ASP 52.A OD2 no hydrogen 2.971 N/A ARG 5.A NE ASP 52.A OD1 no hydrogen 3.340 N/A ARG 5.A NE ASP 52.A OD2 no hydrogen 3.066 N/A ARG 5.A NH1 ASN 49.A O no hydrogen 2.674 N/A ARG 5.A NH2 ASN 49.A O no hydrogen 3.144 N/A ARG 5.A NH2 ASN 49.A OD1 no hydrogen 3.221 N/A ARG 5.A NH2 ASP 52.A OD1 no hydrogen 2.798 N/A TRP 6.A N THR 32.A O no hydrogen 2.879 N/A CYS 7.A N ALA 53.A O no hydrogen 3.025 N/A THR 8.A N VAL 34.A O no hydrogen 2.806 N/A THR 8.A OG1 GLU 14.A OE1 no hydrogen 2.704 N/A THR 8.A OG1 VAL 34.A O no hydrogen 3.173 N/A VAL 9.A N GLU 13.A OE1 no hydrogen 2.771 N/A GLU 13.A N SER 10.A OG no hydrogen 3.331 N/A GLU 14.A N SER 10.A O no hydrogen 3.090 N/A LYS 15.A N SER 11.A O no hydrogen 3.100 N/A LYS 16.A N PRO 12.A O no hydrogen 3.098 N/A LYS 16.A NZ LEU 281.A O no hydrogen 2.956 N/A LYS 16.A NZ LEU 295.A O no hydrogen 2.738 N/A CYS 17.A N GLU 13.A O no hydrogen 3.064 N/A ASN 18.A N GLU 14.A O no hydrogen 2.898 N/A ASN 19.A N LYS 15.A O no hydrogen 2.980 N/A LEU 20.A N LYS 16.A O no hydrogen 3.045 N/A ARG 21.A N CYS 17.A O no hydrogen 2.835 N/A ARG 21.A NE ASP 22.A OD2.B no hydrogen 3.300 N/A ARG 21.A NH2 ASP 22.A OD1.B no hydrogen 3.014 N/A ARG 21.A NH2 ASP 22.A OD2.B no hydrogen 2.863 N/A ASP 22.A N ASN 18.A O no hydrogen 2.915 N/A LEU 23.A N ASN 19.A O no hydrogen 3.138 N/A THR 24.A N LEU 20.A O no hydrogen 3.134 N/A THR 24.A N ARG 21.A O no hydrogen 3.105 N/A THR 24.A OG1 LEU 20.A O no hydrogen 2.878 N/A GLN 25.A NE2.A GLN 25.A O no hydrogen 3.140 N/A GLU 27.A N THR 24.A O no hydrogen 2.695 N/A SER 30.A N SER 2.A O no hydrogen 3.040 N/A THR 32.A N ILE 4.A O no hydrogen 2.871 N/A CYS 33.A SG ASN 18.A OD1 no hydrogen 3.810 N/A VAL 34.A N TRP 6.A O no hydrogen 2.954 N/A GLN 35.A NE2 SER 11.A OG no hydrogen 3.023 N/A LYS 36.A N THR 8.A O no hydrogen 2.977 N/A LYS 36.A NZ GLU 50.A OE1 no hydrogen 3.152 N/A THR 38.A OG1 ASP 41.A OD2 no hydrogen 2.671 N/A TYR 39.A OH GLU 63.A OE1 no hydrogen 2.866 N/A TYR 39.A OH GLU 63.A OE2 no hydrogen 2.880 N/A ASP 41.A N THR 38.A OG1 no hydrogen 3.208 N/A CYS 42.A N THR 38.A O no hydrogen 3.277 N/A CYS 42.A SG THR 8.A O no hydrogen 3.774 N/A CYS 42.A SG THR 38.A O no hydrogen 4.003 N/A ILE 43.A N TYR 39.A O no hydrogen 2.827 N/A LYS 44.A N LEU 40.A O no hydrogen 2.962 N/A ALA 45.A N ASP 41.A O no hydrogen 2.959 N/A ILE 46.A N CYS 42.A O no hydrogen 2.995 N/A ALA 47.A N ILE 43.A O no hydrogen 3.098 N/A ASN 48.A N LYS 44.A O no hydrogen 2.845 N/A ASN 49.A N ILE 46.A O no hydrogen 3.004 N/A GLU 50.A N ALA 45.A O no hydrogen 2.805 N/A ALA 51.A N ALA 45.A O no hydrogen 3.287 N/A ASP 52.A N ARG 5.A O no hydrogen 2.740 N/A SER 55.A OG LEU 296.A O no hydrogen 3.092 N/A LEU 56.A N ALA 248.A O no hydrogen 2.948 N/A ASP 57.A N GLN 60.A OE1 no hydrogen 3.047 N/A GLN 60.A N ASP 57.A OD1 no hydrogen 3.211 N/A VAL 61.A N ASP 57.A O no hydrogen 2.819 N/A PHE 62.A N GLY 58.A O no hydrogen 3.013 N/A GLU 63.A N GLY 59.A O no hydrogen 3.100 N/A ALA 64.A N GLN 60.A O no hydrogen 2.843 N/A GLY 65.A N VAL 61.A O no hydrogen 3.147 N/A GLY 65.A N PHE 62.A O no hydrogen 3.275 N/A LEU 66.A N GLU 63.A O no hydrogen 3.226 N/A LYS 70.A N LEU 66.A O no hydrogen 2.994 N/A LEU 71.A N ALA 64.A O no hydrogen 2.901 N/A LYS 72.A N ALA 251.A O no hydrogen 3.091 N/A LYS 72.A NZ PRO 73.A O no hydrogen 3.036 N/A ILE 74.A N VAL 249.A O no hydrogen 2.850 N/A ALA 76.A N LYS 305.A O no hydrogen 2.899 N/A GLU 77.A N HIS 247.A O no hydrogen 2.901 N/A VAL 78.A N MET 303.A O no hydrogen 3.299 N/A TYR 79.A OH GLU 77.A OE1 no hydrogen 2.811 N/A HIS 81.A NE2 SER 88.A O no hydrogen 2.750 N/A THR 82.A OG1 THR 87.A O no hydrogen 2.920 N/A GLU 83.A N GLU 80.A O no hydrogen 3.475 N/A SER 85.A N THR 82.A O no hydrogen 3.292 N/A SER 88.A N VAL 244.A O no hydrogen 2.825 N/A TYR 89.A N VAL 244.A O no hydrogen 3.393 N/A ALA 91.A N ALA 242.A O no hydrogen 2.909 N/A VAL 92.A N VAL 205.A O no hydrogen 2.999 N/A VAL 94.A N ALA 203.A O no hydrogen 2.942 N/A VAL 95.A N GLU 222.A O no hydrogen 2.906 N/A LYS 96.A NZ LYS 196.A O no hydrogen 3.563 N/A LYS 97.A N GLU 220.A O no hydrogen 2.928 N/A LYS 97.A NZ.A ASP 219.A O no hydrogen 3.299 N/A THR 99.A OG1 LYS 96.A O no hydrogen 2.856 N/A THR 102.A N ASP 105.A OD2 no hydrogen 3.018 N/A THR 102.A OG1 ASP 105.A OD2 no hydrogen 3.536 N/A ASN 104.A N THR 102.A OG1 no hydrogen 3.169 N/A ASP 105.A N THR 102.A O no hydrogen 2.870 N/A GLY 108.A N PHE 152.A O no hydrogen 2.813 N/A LYS 109.A N LEU 106.A O no hydrogen 2.932 N/A LYS 109.A NZ ASP 105.A O no hydrogen 2.695 N/A THR 110.A N ASP 201.A OD2 no hydrogen 3.117 N/A THR 110.A OG1 ASP 201.A OD2 no hydrogen 3.227 N/A SER 111.A N ALA 155.A O no hydrogen 3.273 N/A SER 111.A OG HIS 113.A NE2 no hydrogen 2.698 N/A SER 111.A OG SER 156.A OG no hydrogen 2.739 N/A CYS 112.A N VAL 202.A O no hydrogen 2.897 N/A HIS 113.A N CYS 157.A O no hydrogen 3.005 N/A HIS 113.A ND1 GLY 121.A O no hydrogen 2.807 N/A HIS 113.A NE2 SER 111.A OG no hydrogen 2.698 N/A LEU 116.A N PRO 159.A O no hydrogen 2.966 N/A ARG 118.A N GLY 115.A O no hydrogen 3.283 N/A SER 119.A OG TYR 89.A OH no hydrogen 3.237 N/A TRP 122.A N ARG 118.A O no hydrogen 3.093 N/A ASN 123.A N ARG 118.A O no hydrogen 2.894 N/A ASN 123.A ND2 GLY 117.A O no hydrogen 3.475 N/A ILE 124.A N SER 119.A O no hydrogen 2.986 N/A ILE 126.A N TRP 122.A O no hydrogen 3.063 N/A GLY 127.A N ASN 123.A O no hydrogen 3.073 N/A THR 128.A N ILE 124.A O no hydrogen 2.943 N/A THR 128.A OG1 ILE 124.A O no hydrogen 2.746 N/A LEU 129.A N PRO 125.A O no hydrogen 3.014 N/A ILE 130.A N ILE 126.A O no hydrogen 2.887 N/A HIS 131.A N GLY 127.A O no hydrogen 2.837 N/A ARG 132.A N THR 128.A O no hydrogen 2.885 N/A GLY 133.A N ILE 130.A O no hydrogen 2.886 N/A ALA 134.A N LEU 129.A O no hydrogen 2.814 N/A ILE 135.A N LEU 129.A O no hydrogen 3.249 N/A TRP 137.A NE1 GLY 143.A O no hydrogen 3.149 N/A SER 142.A OG GLY 139.A O no hydrogen 2.718 N/A SER 142.A OG GLU 141.A O no hydrogen 2.918 N/A GLU 146.A N SER 144.A OG no hydrogen 3.156 N/A GLN 147.A N SER 144.A O no hydrogen 3.163 N/A VAL 149.A N VAL 145.A O no hydrogen 2.942 N/A ALA 150.A N GLU 146.A O no hydrogen 3.055 N/A ALA 150.A N GLN 147.A O no hydrogen 3.251 N/A LYS 151.A N ALA 148.A O no hydrogen 3.143 N/A PHE 152.A N VAL 149.A O no hydrogen 3.010 N/A PHE 153.A N VAL 149.A O no hydrogen 3.122 N/A SER 154.A N LYS 109.A O no hydrogen 2.932 N/A SER 154.A OG GLY 108.A O no hydrogen 2.753 N/A SER 154.A OG LYS 109.A O no hydrogen 3.325 N/A SER 156.A N LYS 166.A O no hydrogen 2.987 N/A SER 156.A OG SER 111.A OG no hydrogen 2.739 N/A CYS 157.A N SER 111.A O no hydrogen 2.940 N/A VAL 158.A N LEU 167.A O no hydrogen 2.799 N/A GLY 160.A N CYS 179.A O no hydrogen 2.978 N/A ALA 161.A N VAL 158.A O no hydrogen 2.990 N/A THR 162.A N GLU 146.A OE2 no hydrogen 3.024 N/A ILE 163.A N GLU 146.A OE1 no hydrogen 2.932 N/A GLU 164.A N GLU 146.A OE1 no hydrogen 3.311 N/A LYS 166.A NZ ALA 150.A O no hydrogen 3.212 N/A LYS 166.A NZ SER 154.A O no hydrogen 3.398 N/A LEU 167.A N GLU 164.A O no hydrogen 3.305 N/A CYS 168.A N GLN 165.A O no hydrogen 3.016 N/A CYS 168.A SG ALA 161.A O no hydrogen 3.840 N/A ARG 169.A N LYS 166.A O no hydrogen 3.238 N/A ARG 169.A NH1.B GLN 170.A OE1 no hydrogen 3.500 N/A GLN 170.A N SER 156.A O no hydrogen 2.973 N/A GLN 170.A NE2 LYS 199.A O no hydrogen 2.776 N/A CYS 171.A N CYS 168.A O no hydrogen 3.329 N/A LYS 176.A NZ ASP 174.A OD2 no hydrogen 3.183 N/A THR 177.A N ASP 174.A O no hydrogen 3.077 N/A THR 177.A N ASP 174.A OD1 no hydrogen 3.106 N/A THR 177.A OG1 ASP 174.A OD1 no hydrogen 2.684 N/A LYS 178.A N ASP 174.A O no hydrogen 2.960 N/A LYS 178.A NZ CYS 168.A O no hydrogen 3.407 N/A CYS 179.A SG VAL 158.A O no hydrogen 3.619 N/A ALA 180.A N THR 177.A O no hydrogen 2.979 N/A ALA 183.A N ALA 180.A O no hydrogen 3.119 N/A TYR 185.A OH ASP 197.A OD2 no hydrogen 3.028 N/A SER 186.A N ALA 183.A O no hydrogen 2.956 N/A SER 186.A OG ARG 181.A O no hydrogen 3.459 N/A SER 186.A OG ALA 183.A O no hydrogen 2.745 N/A GLY 187.A N THR 114.A O no hydrogen 2.853 N/A ALA 191.A N GLY 187.A O no hydrogen 3.001 N/A PHE 192.A N TYR 188.A O no hydrogen 3.005 N/A HIS 193.A N SER 189.A O no hydrogen 2.879 N/A CYS 194.A N GLY 190.A O no hydrogen 2.882 N/A LEU 195.A N ALA 191.A O no hydrogen 3.191 N/A LYS 196.A N PHE 192.A O no hydrogen 2.967 N/A ASP 197.A N HIS 193.A O no hydrogen 2.867 N/A GLY 198.A N LEU 195.A O no hydrogen 2.964 N/A LYS 199.A N CYS 194.A O no hydrogen 3.020 N/A ASP 201.A N THR 110.A O no hydrogen 2.927 N/A ASP 201.A N THR 110.A OG1 no hydrogen 3.236 N/A ALA 203.A N VAL 94.A O no hydrogen 2.867 N/A PHE 204.A N CYS 112.A O no hydrogen 3.011 N/A VAL 205.A N VAL 92.A O no hydrogen 3.151 N/A LYS 206.A N THR 209.A OG1 no hydrogen 3.343 N/A HIS 207.A N TYR 90.A O no hydrogen 2.912 N/A THR 209.A N LYS 206.A O no hydrogen 3.190 N/A THR 209.A OG1 LYS 206.A O no hydrogen 3.076 N/A GLU 212.A N THR 208.A O no hydrogen 2.853 N/A ASN 213.A N THR 209.A O no hydrogen 3.006 N/A ASN 213.A ND2 THR 209.A O no hydrogen 2.909 N/A ALA 214.A N VAL 210.A O no hydrogen 2.737 N/A GLN 217.A N ALA 214.A O no hydrogen 2.845 N/A LYS 218.A NZ ASP 234.A OD1 no hydrogen 2.883 N/A LYS 218.A NZ ASP 234.A OD2 no hydrogen 3.496 N/A GLU 220.A N GLN 217.A O no hydrogen 2.984 N/A TYR 221.A N LYS 218.A O no hydrogen 3.095 N/A GLU 222.A N VAL 95.A O no hydrogen 3.065 N/A LEU 223.A N GLN 231.A O no hydrogen 2.808 N/A LEU 224.A N ALA 93.A O no hydrogen 2.941 N/A CYS 225.A N SER 229.A O no hydrogen 3.044 N/A CYS 225.A SG LEU 223.A O no hydrogen 4.019 N/A CYS 225.A SG SER 229.A O no hydrogen 3.489 N/A CYS 225.A SG SER 229.A OG no hydrogen 3.190 N/A CYS 225.A SG GLN 231.A OE1 no hydrogen 3.727 N/A GLY 228.A N CYS 225.A O no hydrogen 3.377 N/A SER 229.A N ASP 227.A OD1 no hydrogen 3.149 N/A SER 229.A OG ASP 227.A OD1 no hydrogen 2.727 N/A SER 229.A OG GLN 231.A OE1 no hydrogen 3.179 N/A ARG 230.A NE PHE 101.A O no hydrogen 2.889 N/A ARG 230.A NH1 LYS 96.A O no hydrogen 3.124 N/A ARG 230.A NH1 THR 99.A OG1 no hydrogen 2.995 N/A ARG 230.A NH1 GLU 222.A OE1 no hydrogen 3.008 N/A ARG 230.A NH2 THR 99.A OG1 no hydrogen 2.802 N/A ARG 230.A NH2 PHE 101.A O no hydrogen 2.802 N/A GLN 231.A N LEU 223.A O no hydrogen 3.000 N/A GLN 231.A NE2 THR 238.A OG1 no hydrogen 2.852 N/A ASN 235.A N PRO 232.A O no hydrogen 2.825 N/A THR 238.A N ASN 235.A O no hydrogen 3.019 N/A CYS 239.A N TYR 236.A O no hydrogen 3.292 N/A ASN 240.A ND2 TYR 236.A O no hydrogen 2.995 N/A TRP 241.A N ALA 91.A O no hydrogen 2.842 N/A TRP 241.A NE1 LEU 224.A O no hydrogen 3.094 N/A ARG 243.A NH1 THR 87.A OG1 no hydrogen 3.425 N/A ARG 243.A NH2 TYR 316.A O no hydrogen 2.922 N/A VAL 244.A N TYR 89.A O no hydrogen 2.857 N/A ALA 246.A N THR 86.A O no hydrogen 2.974 N/A HIS 247.A N TYR 79.A OH no hydrogen 3.143 N/A ALA 248.A N LEU 56.A O no hydrogen 3.033 N/A VAL 249.A N ALA 75.A O no hydrogen 2.815 N/A VAL 250.A N ILE 54.A O no hydrogen 2.982 N/A ALA 251.A N LYS 72.A O no hydrogen 3.080 N/A ARG 252.A NE ASP 254.A OD2 no hydrogen 3.087 N/A ARG 252.A NH1 ILE 46.A O no hydrogen 2.834 N/A ARG 252.A NH1 ALA 51.A O no hydrogen 2.868 N/A ARG 252.A NH1 ASP 52.A OD1 no hydrogen 3.489 N/A ARG 252.A NH2 ASP 52.A OD1 no hydrogen 2.999 N/A LYS 256.A N ASP 254.A OD1 no hydrogen 2.927 N/A LYS 256.A NZ VAL 3.A O no hydrogen 2.972 N/A LYS 256.A NZ ASP 52.A OD2 no hydrogen 3.066 N/A VAL 257.A N ASP 254.A O no hydrogen 3.159 N/A ASP 259.A N LYS 256.A O no hydrogen 2.925 N/A ILE 260.A N LYS 256.A O no hydrogen 3.024 N/A TRP 261.A N VAL 257.A O no hydrogen 2.841 N/A SER 262.A N GLU 258.A O no hydrogen 2.863 N/A SER 262.A OG GLU 258.A O no hydrogen 2.961 N/A PHE 263.A N ASP 259.A O no hydrogen 2.923 N/A LEU 264.A N ILE 260.A O no hydrogen 3.045 N/A SER 265.A N TRP 261.A O no hydrogen 2.891 N/A LYS 266.A N SER 262.A O no hydrogen 3.341 N/A LYS 266.A NZ GLU 27.A OE2 no hydrogen 2.909 N/A ALA 267.A N PHE 263.A O no hydrogen 2.842 N/A GLN 268.A N LEU 264.A O no hydrogen 2.788 N/A SER 269.A N SER 265.A O no hydrogen 3.124 N/A ASP 270.A N LYS 266.A O no hydrogen 2.994 N/A ASP 270.A N ALA 267.A O no hydrogen 3.146 N/A PHE 271.A N ALA 267.A O no hydrogen 2.803 N/A THR 275.A N GLY 272.A O no hydrogen 3.164 N/A THR 275.A OG1 ASP 270.A O no hydrogen 2.751 N/A SER 277.A N THR 275.A OG1 no hydrogen 2.975 N/A SER 277.A OG ASP 278.A OD1 no hydrogen 3.506 N/A PHE 279.A N SER 277.A OG no hydrogen 3.403 N/A LEU 281.A N PHE 271.A O no hydrogen 2.926 N/A VAL 291.A N ASP 289.A OD1 no hydrogen 3.288 N/A LEU 292.A N ASP 289.A O no hydrogen 2.765 N/A LYS 293.A N PRO 290.A O no hydrogen 3.133 N/A LYS 293.A NZ.A ASP 294.A OD2 no hydrogen 3.129 N/A LYS 293.A NZ.B LYS 287.A O no hydrogen 3.248 N/A LYS 293.A NZ.B LYS 288.A O no hydrogen 2.748 N/A ASP 294.A N ASP 299.A OD1 no hydrogen 3.178 N/A ASP 294.A N ASP 299.A OD2 no hydrogen 3.264 N/A LEU 296.A N GLU 13.A OE2 no hydrogen 3.000 N/A PHE 297.A N LEU 295.A O no hydrogen 2.827 N/A LYS 298.A N GLU 77.A OE2 no hydrogen 3.126 N/A ASP 299.A N ASP 294.A OD1 no hydrogen 2.968 N/A ALA 301.A N LYS 298.A O no hydrogen 3.046 N/A ILE 302.A N VAL 78.A O no hydrogen 2.939 N/A LYS 305.A N ALA 76.A O no hydrogen 2.934 N/A LYS 305.A NZ GLY 84.A O no hydrogen 3.491 N/A VAL 307.A N ILE 74.A O no hydrogen 2.968 N/A MET 311.A N PRO 308.A O no hydrogen 2.968 N/A LEU 315.A N ASP 312.A OD1 no hydrogen 2.970 N/A TYR 316.A N ASP 312.A O no hydrogen 2.928 N/A TYR 316.A OH ALA 246.A O no hydrogen 2.798 N/A LEU 317.A N SER 313.A O no hydrogen 2.936 N/A GLY 318.A N GLN 314.A O no hydrogen 3.090 N/A GLU 320.A N GLU 320.A OE1 no hydrogen 2.830 N/A TYR 322.A N GLY 318.A O no hydrogen 2.935 N/A SER 323.A N PHE 319.A O no hydrogen 2.912 N/A SER 323.A OG PHE 319.A O no hydrogen 2.734 N/A SER 323.A OG GLU 320.A O no hydrogen 3.119 N/A ALA 324.A N GLU 320.A O no hydrogen 3.038 N/A ILE 325.A N TYR 321.A O no hydrogen 2.958 N/A GLN 326.A N TYR 322.A O no hydrogen 2.897 N/A SER 327.A N SER 323.A O no hydrogen 3.074 N/A SER 327.A OG SER 323.A O no hydrogen 2.691 N/A MET 328.A N ILE 325.A O no hydrogen 3.077 N/A ARG 329.A N GLN 326.A O no hydrogen 3.453 N/A