Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3tqh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A N GLU 103.A OE1 no hydrogen 2.959 N/A ALA 4.A N VAL 19.A O no hydrogen 2.945 N/A ILE 5.A N TYR 101.A O no hydrogen 2.870 N/A GLN 6.A N LYS 17.A O no hydrogen 2.929 N/A PHE 7.A N SER 63.A O no hydrogen 3.086 N/A GLY 11.A N ARG 47.A O no hydrogen 3.053 N/A VAL 15.A N PRO 12.A O no hydrogen 3.085 N/A LEU 16.A N PRO 13.A O no hydrogen 3.110 N/A LYS 17.A N GLN 6.A O no hydrogen 2.859 N/A LYS 17.A NZ ASP 8.A OD2 no hydrogen 3.215 N/A VAL 19.A N ALA 4.A O no hydrogen 2.835 N/A THR 21.A OG1 GLN 6.A OE1 no hydrogen 3.244 N/A THR 23.A N LYS 1.A O no hydrogen 2.696 N/A THR 23.A OG1 LYS 1.A O no hydrogen 3.197 N/A TYR 26.A OH GLU 75.A OE1 no hydrogen 2.463 N/A GLN 30.A N ARG 27.A O no hydrogen 3.099 N/A LEU 31.A N GLU 75.A O no hydrogen 2.830 N/A ILE 32.A N VAL 105.A O no hydrogen 2.867 N/A LYS 33.A N GLU 72.A O no hydrogen 2.672 N/A VAL 34.A N GLU 103.A O no hydrogen 2.819 N/A HIS 35.A N SER 70.A O no hydrogen 2.744 N/A ALA 36.A N SER 70.A O no hydrogen 3.106 N/A ALA 37.A N PHE 311.A O no hydrogen 3.025 N/A SER 38.A OG ALA 125.A O no hydrogen 2.605 N/A LEU 39.A N LEU 309.A O no hydrogen 3.144 N/A ASN 40.A N ASP 43.A OD2 no hydrogen 2.932 N/A ASP 43.A N ASN 40.A O no hydrogen 2.846 N/A LYS 45.A N PRO 41.A O no hydrogen 3.083 N/A THR 46.A N ILE 42.A O no hydrogen 3.014 N/A THR 46.A OG1 ILE 42.A O no hydrogen 2.693 N/A ARG 47.A N ASP 43.A O no hydrogen 3.099 N/A ARG 47.A NE HIS 297.A ND1 no hydrogen 3.442 N/A ARG 47.A NH1 GLY 11.A O no hydrogen 2.752 N/A ARG 47.A NH1 GLU 301.A OE1 no hydrogen 3.332 N/A ARG 47.A NH2 HIS 297.A ND1 no hydrogen 3.216 N/A ARG 47.A NH2 GLU 301.A OE1 no hydrogen 2.599 N/A ASN 48.A N TYR 44.A O no hydrogen 2.825 N/A ASN 48.A ND2 GLU 301.A OE2 no hydrogen 3.374 N/A GLY 49.A N THR 46.A O no hydrogen 3.002 N/A SER 50.A N ASN 48.A OD1 no hydrogen 3.019 N/A SER 50.A OG LYS 45.A O no hydrogen 3.270 N/A SER 50.A OG ASN 48.A OD1 no hydrogen 2.713 N/A GLY 51.A N LYS 45.A O no hydrogen 2.968 N/A LYS 55.A N PHE 52.A O no hydrogen 3.077 N/A LYS 56.A N VAL 53.A O no hydrogen 3.116 N/A LYS 56.A NZ ASP 96.A OD1 no hydrogen 3.340 N/A LYS 56.A NZ ASP 96.A OD2 no hydrogen 2.953 N/A LEU 57.A N VAL 53.A O no hydrogen 3.166 N/A ASN 60.A N LEU 57.A O no hydrogen 2.927 N/A SER 63.A N PHE 7.A O no hydrogen 3.155 N/A SER 63.A OG GLY 64.A O no hydrogen 2.820 N/A TYR 67.A OH PRO 95.A O no hydrogen 2.614 N/A PHE 69.A N GLY 90.A O no hydrogen 2.984 N/A SER 70.A N ALA 36.A O no hydrogen 2.843 N/A SER 70.A OG PHE 121.A O no hydrogen 3.033 N/A GLY 71.A N VAL 89.A O no hydrogen 2.910 N/A GLU 72.A N LYS 33.A O no hydrogen 2.852 N/A VAL 73.A N ASP 87.A O no hydrogen 3.007 N/A ILE 74.A N LEU 31.A O no hydrogen 2.822 N/A GLU 75.A N LEU 31.A O no hydrogen 3.266 N/A GLY 77.A N GLN 30.A O no hydrogen 2.925 N/A ASP 79.A N LYS 28.A O no hydrogen 2.793 N/A VAL 80.A N GLY 77.A O no hydrogen 3.481 N/A ASN 81.A ND2 ASP 79.A O no hydrogen 3.345 N/A ASN 84.A N ASP 87.A OD2 no hydrogen 2.926 N/A GLY 86.A N VAL 73.A O no hydrogen 2.852 N/A ASP 87.A N ASN 84.A O no hydrogen 3.187 N/A VAL 89.A N GLY 71.A O no hydrogen 2.748 N/A ILE 91.A N THR 111.A O no hydrogen 2.969 N/A ALA 92.A N TYR 67.A O no hydrogen 2.886 N/A HIS 97.A N GLY 93.A O no hydrogen 2.895 N/A CYS 99.A N GLY 66.A O no hydrogen 2.983 N/A CYS 99.A SG ALA 92.A O no hydrogen 3.817 N/A CYS 99.A SG HIS 97.A O no hydrogen 3.538 N/A CYS 100.A N GLY 66.A O no hydrogen 3.091 N/A CYS 100.A SG GLY 66.A O no hydrogen 3.431 N/A TYR 101.A N LEU 65.A O no hydrogen 2.806 N/A TYR 101.A OH ASP 43.A OD2 no hydrogen 2.537 N/A TYR 101.A OH HIS 297.A NE2 no hydrogen 2.918 N/A ALA 102.A N CYS 100.A O no hydrogen 2.683 N/A GLU 103.A N LYS 3.A O no hydrogen 3.166 N/A VAL 105.A N ILE 32.A O no hydrogen 3.099 N/A CYS 106.A SG GLU 25.A O no hydrogen 3.474 N/A SER 108.A OG ASP 110.A OD2 no hydrogen 3.182 N/A ASP 110.A N SER 108.A OG no hydrogen 3.308 N/A THR 111.A N SER 108.A O no hydrogen 3.142 N/A THR 111.A OG1 ILE 91.A O no hydrogen 2.750 N/A THR 111.A OG1 SER 108.A O no hydrogen 3.435 N/A GLN 114.A NE2 ASP 87.A OD2 no hydrogen 3.265 N/A LYS 115.A N LYS 88.A O no hydrogen 2.904 N/A LYS 115.A NZ LEU 116.A O no hydrogen 2.893 N/A LYS 115.A NZ LEU 119.A O no hydrogen 2.566 N/A LEU 119.A N LEU 116.A O no hydrogen 3.192 N/A SER 120.A N GLN 123.A OE1 no hydrogen 3.234 N/A GLN 123.A N SER 120.A OG no hydrogen 2.986 N/A ALA 124.A N SER 120.A O no hydrogen 2.939 N/A ALA 125.A N PHE 121.A O no hydrogen 2.972 N/A SER 126.A N LEU 122.A O no hydrogen 3.222 N/A SER 126.A N GLN 123.A O no hydrogen 3.224 N/A SER 126.A OG LEU 122.A O no hydrogen 2.884 N/A THR 129.A N ASP 68.A OD1 no hydrogen 3.269 N/A THR 129.A N ASP 68.A OD2 no hydrogen 3.343 N/A THR 129.A OG1 ASP 68.A OD1 no hydrogen 2.535 N/A THR 129.A OG1 ASP 68.A OD2 no hydrogen 3.491 N/A GLY 131.A N LEU 127.A O no hydrogen 2.763 N/A LEU 132.A N PRO 128.A O no hydrogen 3.006 N/A THR 133.A N THR 129.A O no hydrogen 2.984 N/A THR 133.A OG1 THR 129.A O no hydrogen 2.634 N/A ALA 134.A N ALA 130.A O no hydrogen 2.988 N/A LEU 135.A N GLY 131.A O no hydrogen 3.042 N/A GLN 136.A N LEU 132.A O no hydrogen 3.012 N/A GLN 136.A NE2 GLN 262.A O no hydrogen 2.845 N/A GLN 136.A NE2 GLU 267.A OE1 no hydrogen 2.899 N/A ALA 137.A N THR 133.A O no hydrogen 2.896 N/A LEU 138.A N ALA 134.A O no hydrogen 3.121 N/A ASN 139.A N LEU 135.A O no hydrogen 2.894 N/A GLN 140.A N GLN 136.A O no hydrogen 2.909 N/A ALA 141.A N ALA 137.A O no hydrogen 3.067 N/A GLU 142.A N ASN 139.A O no hydrogen 2.947 N/A VAL 143.A N LEU 138.A O no hydrogen 3.379 N/A LYS 144.A N ASP 147.A OD2 no hydrogen 3.071 N/A GLY 146.A N GLY 170.A O no hydrogen 3.202 N/A ASP 147.A N LYS 144.A O no hydrogen 3.253 N/A VAL 148.A N ASP 210.A OD2 no hydrogen 2.799 N/A VAL 149.A N THR 172.A O no hydrogen 2.757 N/A LEU 150.A N ALA 211.A O no hydrogen 2.922 N/A ILE 151.A N ILE 174.A O no hydrogen 2.820 N/A HIS 152.A N ILE 213.A O no hydrogen 3.084 N/A HIS 152.A ND1 THR 176.A OG1 no hydrogen 3.017 N/A HIS 152.A NE2 SER 224.A OG no hydrogen 2.605 N/A ALA 153.A N THR 176.A OG1 no hydrogen 3.282 N/A GLY 154.A N THR 176.A O no hydrogen 3.338 N/A GLY 156.A N ALA 153.A O no hydrogen 3.410 N/A HIS 160.A N GLY 156.A O no hydrogen 3.128 N/A HIS 160.A ND1 GLY 156.A O no hydrogen 2.778 N/A LEU 161.A N VAL 158.A O no hydrogen 3.229 N/A ALA 162.A N VAL 158.A O no hydrogen 2.993 N/A ILE 163.A N GLY 159.A O no hydrogen 2.827 N/A GLN 164.A NE2 HIS 160.A O no hydrogen 2.834 N/A GLN 164.A NE2 ARG 281.A O no hydrogen 2.892 N/A LEU 165.A N LEU 161.A O no hydrogen 2.809 N/A ALA 166.A N ALA 162.A O no hydrogen 2.686 N/A LYS 167.A N ILE 163.A O no hydrogen 3.007 N/A GLN 168.A N GLN 164.A O no hydrogen 3.017 N/A LYS 169.A N LEU 165.A O no hydrogen 3.105 N/A LYS 169.A N ALA 166.A O no hydrogen 3.238 N/A LYS 169.A NZ ASN 139.A OD1 no hydrogen 3.522 N/A GLY 170.A N LYS 167.A O no hydrogen 2.976 N/A THR 171.A N ALA 166.A O no hydrogen 3.222 N/A THR 171.A OG1 ALA 166.A O no hydrogen 2.705 N/A THR 172.A N ASP 147.A O no hydrogen 2.900 N/A ILE 174.A N VAL 149.A O no hydrogen 2.745 N/A THR 175.A N GLN 192.A O no hydrogen 2.950 N/A THR 175.A OG1 ILE 151.A O no hydrogen 2.598 N/A THR 176.A OG1 HIS 152.A ND1 no hydrogen 3.017 N/A ALA 177.A N ILE 194.A O no hydrogen 3.120 N/A ASN 181.A N SER 178.A O no hydrogen 2.912 N/A HIS 182.A N LYS 179.A O no hydrogen 3.151 N/A LEU 185.A N ASN 181.A O no hydrogen 2.982 N/A LYS 186.A N HIS 182.A O no hydrogen 2.940 N/A LYS 186.A NZ GLU 191.A O no hydrogen 2.995 N/A ALA 187.A N ALA 183.A O no hydrogen 3.150 N/A LEU 188.A N PHE 184.A O no hydrogen 3.272 N/A LEU 188.A N LEU 185.A O no hydrogen 3.180 N/A GLY 189.A N LYS 186.A O no hydrogen 3.022 N/A ALA 190.A N LEU 185.A O no hydrogen 3.019 N/A GLU 191.A N VAL 173.A O no hydrogen 2.858 N/A GLN 192.A N VAL 173.A O no hydrogen 3.373 N/A GLN 192.A NE2 ALA 204.A O no hydrogen 2.879 N/A CYS 193.A SG HIS 182.A O no hydrogen 3.712 N/A ILE 194.A N THR 175.A O no hydrogen 2.767 N/A HIS 197.A N ASN 195.A OD1 no hydrogen 3.163 N/A GLU 198.A N ASN 195.A O no hydrogen 3.123 N/A LEU 202.A N ASP 200.A OD1 no hydrogen 3.240 N/A LEU 203.A N ASP 200.A O no hydrogen 3.007 N/A ALA 204.A N PHE 201.A O no hydrogen 3.173 N/A ILE 205.A N LEU 202.A O no hydrogen 3.130 N/A VAL 209.A N CYS 227.A O no hydrogen 2.772 N/A ASP 210.A N VAL 148.A O no hydrogen 2.956 N/A ALA 211.A N VAL 148.A O no hydrogen 3.285 N/A VAL 212.A N CYS 233.A O no hydrogen 3.117 N/A ILE 213.A N LEU 150.A O no hydrogen 2.751 N/A ASP 214.A N VAL 235.A O no hydrogen 2.887 N/A VAL 216.A N ASP 214.A OD1 no hydrogen 3.091 N/A GLY 217.A N ASP 214.A OD1 no hydrogen 2.828 N/A GLY 218.A N THR 241.A OG1 no hydrogen 2.984 N/A GLY 221.A N GLY 217.A O no hydrogen 3.364 N/A ILE 222.A N GLY 218.A O no hydrogen 3.163 N/A GLN 223.A N ASP 219.A O no hydrogen 2.829 N/A SER 224.A N VAL 220.A O no hydrogen 3.008 N/A SER 224.A N GLY 221.A O no hydrogen 3.188 N/A SER 224.A OG HIS 152.A NE2 no hydrogen 2.605 N/A SER 224.A OG VAL 220.A O no hydrogen 2.675 N/A ILE 225.A N ILE 222.A O no hydrogen 3.303 N/A ASP 226.A N GLN 223.A O no hydrogen 3.186 N/A CYS 227.A N SER 224.A O no hydrogen 3.158 N/A CYS 227.A SG SER 224.A O no hydrogen 3.154 N/A LEU 228.A N ILE 225.A O no hydrogen 3.270 N/A LYS 229.A N VAL 209.A O no hydrogen 2.909 N/A GLY 232.A N LYS 229.A O no hydrogen 2.907 N/A CYS 233.A N ASP 210.A O no hydrogen 3.168 N/A CYS 233.A SG ALA 141.A O no hydrogen 3.968 N/A ILE 234.A N ARG 255.A O no hydrogen 3.029 N/A VAL 235.A N VAL 212.A O no hydrogen 2.911 N/A SER 236.A N PHE 257.A O no hydrogen 2.876 N/A SER 236.A OG ASP 214.A OD2 no hydrogen 2.500 N/A VAL 237.A N ASP 214.A O no hydrogen 2.880 N/A ALA 242.A N THR 239.A O no hydrogen 3.333 N/A VAL 245.A N THR 241.A O no hydrogen 3.013 N/A ILE 246.A N ALA 242.A O no hydrogen 2.981 N/A GLU 247.A N GLY 243.A O no hydrogen 3.068 N/A VAL 248.A N ARG 244.A O no hydrogen 3.135 N/A ALA 249.A N VAL 245.A O no hydrogen 3.006 N/A LYS 250.A N ILE 246.A O no hydrogen 2.886 N/A GLN 251.A N GLU 247.A O no hydrogen 3.003 N/A LYS 252.A N VAL 248.A O no hydrogen 2.971 N/A HIS 253.A N LYS 250.A O no hydrogen 2.949 N/A ARG 254.A N ALA 249.A O no hydrogen 2.842 N/A ARG 254.A NH1 HIS 253.A O no hydrogen 3.234 N/A ARG 255.A NH2 THR 231.A O no hydrogen 2.586 N/A PHE 257.A N ILE 234.A O no hydrogen 2.741 N/A GLN 262.A N GLN 136.A OE1 no hydrogen 3.127 N/A GLU 266.A N GLU 266.A OE1 no hydrogen 2.850 N/A GLU 267.A N ASN 264.A OD1 no hydrogen 2.850 N/A LEU 268.A N ASN 264.A O no hydrogen 3.001 N/A HIS 269.A N ILE 265.A O no hydrogen 2.998 N/A TYR 270.A N GLU 266.A O no hydrogen 3.083 N/A LEU 271.A N GLU 267.A O no hydrogen 2.770 N/A GLY 272.A N LEU 268.A O no hydrogen 2.859 N/A LYS 273.A N HIS 269.A O no hydrogen 3.008 N/A LEU 274.A N TYR 270.A O no hydrogen 3.146 N/A VAL 275.A N LEU 271.A O no hydrogen 3.133 N/A SER 276.A N GLY 272.A O no hydrogen 3.018 N/A SER 276.A OG GLY 272.A O no hydrogen 3.251 N/A SER 276.A OG LYS 273.A O no hydrogen 2.612 N/A GLU 277.A N LYS 273.A O no hydrogen 2.909 N/A GLU 277.A N LEU 274.A O no hydrogen 3.230 N/A ASP 278.A N VAL 275.A O no hydrogen 3.268 N/A LYS 279.A N LEU 274.A O no hydrogen 2.841 N/A ARG 281.A N GLN 164.A OE1 no hydrogen 2.828 N/A ARG 281.A NE GLU 283.A OE1 no hydrogen 2.807 N/A ARG 281.A NH2 GLU 283.A OE1 no hydrogen 2.862 N/A GLU 283.A N HIS 160.A NE2 no hydrogen 3.137 N/A SER 285.A N LYS 308.A O no hydrogen 2.957 N/A SER 285.A OG ARG 306.A O no hydrogen 2.768 N/A SER 285.A OG LYS 308.A O no hydrogen 3.519 N/A ARG 286.A NH2 GLU 292.A OE1 no hydrogen 3.186 N/A PHE 288.A N VAL 310.A O no hydrogen 2.768 N/A GLN 289.A N GLU 292.A OE2 no hydrogen 2.807 N/A GLU 292.A N GLN 289.A O no hydrogen 2.890 N/A ALA 293.A N LEU 290.A O no hydrogen 3.042 N/A ALA 296.A N GLU 292.A O no hydrogen 2.978 N/A HIS 297.A N ALA 293.A O no hydrogen 2.870 N/A HIS 297.A NE2 TYR 101.A OH no hydrogen 2.918 N/A GLU 298.A N VAL 294.A O no hydrogen 2.961 N/A LEU 299.A N THR 295.A O no hydrogen 3.025 N/A LEU 300.A N ALA 296.A O no hydrogen 2.939 N/A GLU 301.A N HIS 297.A O no hydrogen 2.931 N/A THR 302.A N LEU 299.A O no hydrogen 3.196 N/A THR 302.A OG1 LEU 299.A O no hydrogen 2.594 N/A GLY 303.A N LEU 300.A O no hydrogen 3.230 N/A HIS 304.A N THR 302.A OG1 no hydrogen 3.194 N/A GLY 307.A N ALA 155.A O no hydrogen 2.777 N/A LYS 308.A N GLU 283.A O no hydrogen 2.754 N/A LYS 308.A NZ LEU 39.A O no hydrogen 2.869 N/A VAL 310.A N ARG 286.A O no hydrogen 3.194 N/A PHE 311.A N ALA 37.A O no hydrogen 2.725 N/A LYS 312.A N PHE 288.A O no hydrogen 2.849 N/A LYS 312.A NZ ARG 314.A O no hydrogen 2.786 N/A LYS 312.A NZ ARG 314.A OXT no hydrogen 3.403 N/A VAL 313.A N HIS 35.A O no hydrogen 2.908 N/A ARG 314.A N HIS 35.A O no hydrogen 3.048 N/A ARG 314.A NH1 VAL 34.A O no hydrogen 3.399 N/A ARG 314.A NH1 GLU 103.A O no hydrogen 3.434 N/A