Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ntu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N ASP 4.A OD1 no hydrogen 3.446 N/A ASP 4.A N GLY 1.A O no hydrogen 2.983 N/A LEU 5.A N LEU 2.A O no hydrogen 3.050 N/A VAL 8.A N LEU 5.A O no hydrogen 2.951 N/A ALA 13.A N GLY 9.A O no hydrogen 2.918 N/A GLU 14.A N PRO 10.A O no hydrogen 3.033 N/A LYS 15.A N SER 11.A O no hydrogen 3.207 N/A LYS 15.A NZ SER 11.A OG no hydrogen 3.359 N/A LEU 16.A N THR 12.A O no hydrogen 2.932 N/A VAL 17.A N ALA 13.A O no hydrogen 2.906 N/A GLU 18.A N GLU 14.A O no hydrogen 2.983 N/A ALA 19.A N LYS 15.A O no hydrogen 2.991 N/A GLY 20.A N VAL 17.A O no hydrogen 3.095 N/A TYR 21.A N LEU 16.A O no hydrogen 2.895 N/A TYR 21.A OH GLU 34.A OE1 no hydrogen 2.737 N/A LYS 26.A N ASP 23.A OD1 no hydrogen 3.266 N/A LYS 26.A NZ GLY 20.A O no hydrogen 3.390 N/A LYS 26.A NZ GLU 193.A OE1 no hydrogen 3.206 N/A ILE 27.A N ASP 23.A O no hydrogen 3.448 N/A ALA 28.A N PHE 24.A O no hydrogen 2.739 N/A THR 29.A N MET 25.A O no hydrogen 3.071 N/A THR 29.A OG1 MET 25.A O no hydrogen 2.969 N/A THR 29.A OG1 LYS 26.A O no hydrogen 3.505 N/A ALA 30.A N ILE 27.A O no hydrogen 3.219 N/A THR 31.A N GLU 34.A OE2 no hydrogen 3.066 N/A GLU 34.A N THR 31.A OG1 no hydrogen 2.803 N/A LEU 35.A N THR 31.A O no hydrogen 3.171 N/A THR 36.A N VAL 32.A O no hydrogen 2.853 N/A THR 36.A OG1 VAL 32.A O no hydrogen 2.999 N/A THR 36.A OG1 GLY 33.A O no hydrogen 2.855 N/A ASP 37.A N GLY 33.A O no hydrogen 3.036 N/A ILE 38.A N LEU 35.A O no hydrogen 2.907 N/A ILE 41.A N ILE 38.A O no hydrogen 2.920 N/A ALA 45.A N SER 42.A OG no hydrogen 3.097 N/A ALA 46.A N SER 42.A O no hydrogen 2.755 N/A ALA 47.A N GLU 43.A O no hydrogen 2.862 N/A LYS 48.A N LYS 44.A O no hydrogen 2.983 N/A MET 49.A N ALA 45.A O no hydrogen 2.966 N/A ILE 50.A N ALA 46.A O no hydrogen 3.092 N/A MET 51.A N ALA 47.A O no hydrogen 3.063 N/A GLY 52.A N LYS 48.A O no hydrogen 2.946 N/A ALA 53.A N MET 49.A O no hydrogen 2.802 N/A ARG 54.A N ILE 50.A O no hydrogen 2.986 N/A ARG 54.A NE ALA 28.A O no hydrogen 3.181 N/A ASP 55.A N MET 51.A O no hydrogen 3.017 N/A LEU 56.A N GLY 52.A O no hydrogen 2.824 N/A CYS 57.A N ALA 53.A O no hydrogen 2.844 N/A CYS 57.A SG ALA 53.A O no hydrogen 3.381 N/A ASP 58.A N ASP 55.A O no hydrogen 3.029 N/A LEU 59.A N ARG 54.A O no hydrogen 3.033 N/A LYS 62.A NZ ASP 58.A O no hydrogen 2.883 N/A LYS 62.A NZ ASP 58.A OD2 no hydrogen 2.705 N/A LEU 67.A N GLY 64.A O no hydrogen 3.039 N/A LEU 68.A N ILE 65.A O no hydrogen 2.972 N/A LYS 69.A N ILE 65.A O no hydrogen 3.339 N/A GLN 70.A N ASP 66.A O no hydrogen 3.361 N/A ARG 71.A NH1 GLU 93.A OE2 no hydrogen 3.026 N/A ARG 71.A NH2 GLU 93.A OE1 no hydrogen 2.777 N/A ARG 71.A NH2 GLU 93.A OE2 no hydrogen 3.544 N/A SER 72.A N LEU 68.A O no hydrogen 3.001 N/A SER 72.A OG LEU 68.A O no hydrogen 2.979 N/A THR 73.A N GLN 70.A O no hydrogen 3.137 N/A THR 73.A OG1 GLN 70.A O no hydrogen 2.711 N/A VAL 74.A N ARG 71.A O no hydrogen 3.157 N/A TRP 75.A N SER 94.A OG no hydrogen 2.902 N/A TRP 75.A NE1 ASN 244.A O no hydrogen 2.872 N/A LYS 76.A N PHE 126.A O no hydrogen 2.838 N/A LYS 76.A NZ GLY 89.A O no hydrogen 2.939 N/A LEU 77.A N LEU 92.A O no hydrogen 2.815 N/A SER 78.A N PHE 124.A O no hydrogen 2.948 N/A SER 78.A OG ASP 85.A OD1 no hydrogen 2.692 N/A THR 79.A N ASP 85.A OD2 no hydrogen 2.790 N/A THR 79.A OG1 ASP 85.A OD2 no hydrogen 2.711 N/A SER 80.A N SER 78.A OG no hydrogen 3.206 N/A SER 81.A N THR 79.A OG1 no hydrogen 3.161 N/A SER 81.A OG ASP 310.A OXT no hydrogen 3.208 N/A SER 82.A N ASP 310.A O no hydrogen 3.203 N/A SER 82.A OG ASP 310.A O no hydrogen 3.264 N/A LEU 84.A N SER 81.A OG no hydrogen 2.984 N/A ASP 85.A N SER 81.A O no hydrogen 2.922 N/A SER 86.A N SER 82.A O no hydrogen 3.001 N/A VAL 87.A N GLU 83.A O no hydrogen 2.949 N/A LEU 88.A N LEU 84.A O no hydrogen 3.049 N/A GLY 89.A N SER 86.A O no hydrogen 3.008 N/A GLY 90.A N ASP 85.A O no hydrogen 2.716 N/A LEU 92.A N LEU 77.A O no hydrogen 2.780 N/A SER 94.A N TRP 75.A O no hydrogen 2.917 N/A SER 94.A OG TRP 75.A O no hydrogen 3.373 N/A SER 94.A OG ASN 244.A OD1 no hydrogen 2.769 N/A GLN 95.A N CYS 245.A O no hydrogen 2.891 N/A GLN 95.A NE2 THR 73.A OG1 no hydrogen 3.058 N/A GLN 95.A NE2 ASN 244.A OD1 no hydrogen 2.856 N/A SER 96.A OG GLN 95.A O no hydrogen 3.184 N/A VAL 97.A N THR 271.A OG1 no hydrogen 2.899 N/A THR 98.A N VAL 247.A O no hydrogen 2.845 N/A GLU 99.A N PHE 272.A O no hydrogen 2.845 N/A PHE 100.A N VAL 249.A O no hydrogen 2.944 N/A ALA 101.A N PHE 274.A O no hydrogen 2.963 N/A SER 106.A N VAL 103.A O no hydrogen 3.201 N/A SER 106.A OG VAL 103.A O no hydrogen 2.760 N/A SER 106.A OG VAL 276.A O no hydrogen 3.524 N/A LYS 108.A NZ GLY 102.A O no hydrogen 3.003 N/A THR 109.A OG1 ASP 208.A OD1 no hydrogen 3.273 N/A THR 109.A OG1 ASP 208.A OD2 no hydrogen 2.673 N/A ILE 111.A N GLY 107.A O no hydrogen 2.885 N/A MET 112.A N LYS 108.A O no hydrogen 3.181 N/A HIS 113.A N THR 109.A O no hydrogen 2.985 N/A GLN 114.A N GLN 110.A O no hydrogen 2.901 N/A GLN 114.A NE2 GLN 114.A O no hydrogen 3.629 N/A GLN 114.A NE2 ASN 118.A OD1 no hydrogen 3.055 N/A SER 115.A N ILE 111.A O no hydrogen 2.967 N/A SER 115.A OG ILE 111.A O no hydrogen 2.875 N/A CYS 116.A N MET 112.A O no hydrogen 3.193 N/A CYS 116.A SG MET 112.A O no hydrogen 3.565 N/A VAL 117.A N HIS 113.A O no hydrogen 3.113 N/A ASN 118.A N GLN 114.A O no hydrogen 2.746 N/A ASN 118.A ND2 SER 78.A O no hydrogen 2.961 N/A ASN 118.A ND2 SER 80.A OG no hydrogen 2.843 N/A LEU 119.A N SER 115.A O no hydrogen 3.008 N/A GLN 120.A N VAL 117.A O no hydrogen 2.991 N/A GLN 120.A NE2 PRO 140.A O no hydrogen 2.894 N/A ASN 121.A N ASN 118.A O no hydrogen 3.023 N/A GLU 123.A N ASN 121.A OD1 no hydrogen 3.100 N/A PHE 124.A N ASN 121.A O no hydrogen 2.744 N/A LEU 125.A N PRO 122.A O no hydrogen 3.295 N/A PHE 126.A N LYS 76.A O no hydrogen 2.755 N/A GLU 130.A N ASP 128.A OD1 no hydrogen 2.836 N/A ALA 131.A N ASP 128.A O no hydrogen 2.792 N/A VAL 132.A N ASP 128.A O no hydrogen 2.881 N/A LYS 134.A NZ GLU 129.A OE2 no hydrogen 3.326 N/A GLU 136.A N SER 133.A O no hydrogen 2.886 N/A GLU 136.A N SER 133.A OG no hydrogen 3.059 N/A ALA 138.A N GLY 135.A O no hydrogen 3.317 N/A LYS 141.A N ASN 201.A O no hydrogen 2.963 N/A ALA 142.A N ASN 173.A O no hydrogen 2.920 N/A VAL 143.A N LEU 204.A O no hydrogen 2.878 N/A TYR 144.A N PHE 175.A O no hydrogen 2.741 N/A TYR 144.A OH ASP 208.A OD2 no hydrogen 2.676 N/A ILE 145.A N VAL 206.A O no hydrogen 2.848 N/A ASP 146.A N ALA 177.A O no hydrogen 2.932 N/A THR 147.A N ASP 208.A O no hydrogen 2.845 N/A THR 147.A OG1 SER 209.A O no hydrogen 3.126 N/A GLU 148.A N ASP 146.A OD1 no hydrogen 3.058 N/A GLY 149.A N ASP 146.A OD1 no hydrogen 2.730 N/A THR 150.A N ASP 146.A OD1 no hydrogen 3.159 N/A PHE 151.A N ASP 146.A OD2 no hydrogen 3.046 N/A ARG 152.A NH1 GLY 149.A O no hydrogen 2.785 N/A ARG 152.A NH1 PHE 151.A O no hydrogen 2.895 N/A GLU 154.A N GLU 154.A OE1 no hydrogen 2.699 N/A ARG 155.A N ARG 152.A O no hydrogen 2.923 N/A ARG 155.A NE GLN 110.A OE1 no hydrogen 2.729 N/A ARG 155.A NH1 GLN 110.A OE1 no hydrogen 3.017 N/A ARG 155.A NH1 THR 304.A O no hydrogen 2.811 N/A ARG 155.A NH2 GLN 158.A OE1 no hydrogen 2.987 N/A ARG 155.A NH2 GLU 305.A O no hydrogen 2.811 N/A ILE 156.A N ARG 152.A O no hydrogen 3.211 N/A MET 157.A N PRO 153.A O no hydrogen 2.929 N/A GLN 158.A N GLU 154.A O no hydrogen 3.047 N/A MET 159.A N ARG 155.A O no hydrogen 2.885 N/A ALA 160.A N ILE 156.A O no hydrogen 2.827 N/A GLU 161.A N MET 157.A O no hydrogen 2.880 N/A HIS 162.A N GLN 158.A O no hydrogen 3.008 N/A ALA 163.A N MET 159.A O no hydrogen 3.038 N/A ALA 163.A N ALA 160.A O no hydrogen 2.970 N/A GLY 164.A N GLU 161.A O no hydrogen 2.974 N/A ILE 165.A N ALA 160.A O no hydrogen 2.954 N/A GLN 168.A NE2 ASP 172.A OD1 no hydrogen 3.009 N/A THR 169.A N ASP 166.A O no hydrogen 3.187 N/A THR 169.A N ASP 166.A OD2 no hydrogen 3.043 N/A THR 169.A OG1 ASP 166.A OD2 no hydrogen 2.673 N/A VAL 170.A N ASP 166.A O no hydrogen 3.424 N/A VAL 170.A N GLY 167.A O no hydrogen 3.024 N/A LEU 171.A N GLY 167.A O no hydrogen 3.142 N/A ASP 172.A N GLN 168.A O no hydrogen 2.849 N/A ASN 173.A N THR 169.A O no hydrogen 3.102 N/A ASN 173.A N VAL 170.A O no hydrogen 3.064 N/A THR 174.A N LEU 171.A O no hydrogen 3.439 N/A THR 174.A OG1 VAL 170.A O no hydrogen 2.770 N/A PHE 175.A N ALA 142.A O no hydrogen 2.837 N/A ALA 177.A N TYR 144.A O no hydrogen 2.986 N/A ARG 178.A NH1 ASP 146.A O no hydrogen 3.311 N/A ALA 179.A N ASP 146.A O no hydrogen 3.004 N/A SER 182.A N GLU 217.A OE1 no hydrogen 2.637 N/A SER 182.A OG GLU 217.A OE2 no hydrogen 2.531 N/A GLN 185.A N ASN 181.A O no hydrogen 3.077 N/A GLN 185.A NE2 LEU 210.A O no hydrogen 2.863 N/A MET 186.A N SER 182.A O no hydrogen 2.952 N/A LEU 187.A N ASP 183.A O no hydrogen 3.049 N/A PHE 188.A N MET 184.A O no hydrogen 2.861 N/A ALA 189.A N GLN 185.A O no hydrogen 3.134 N/A GLU 190.A N MET 186.A O no hydrogen 3.000 N/A LYS 191.A N LEU 187.A O no hydrogen 2.898 N/A LYS 191.A N PHE 188.A O no hydrogen 2.975 N/A ILE 192.A N ALA 189.A O no hydrogen 3.308 N/A ASP 194.A N LYS 191.A O no hydrogen 3.059 N/A ILE 196.A N ILE 192.A O no hydrogen 3.110 N/A GLN 197.A N GLU 193.A O no hydrogen 3.032 N/A GLU 198.A N ASP 194.A O no hydrogen 3.067 N/A GLU 198.A N LEU 195.A O no hydrogen 3.147 N/A GLY 199.A N ILE 196.A O no hydrogen 2.945 N/A ASN 200.A N LEU 195.A O no hydrogen 3.198 N/A ASN 200.A ND2 LEU 195.A O no hydrogen 2.762 N/A ASN 201.A ND2 GLU 136.A O no hydrogen 3.035 N/A ASN 201.A ND2 ALA 138.A O no hydrogen 2.835 N/A ILE 202.A N ASN 200.A O no hydrogen 2.926 N/A LYS 203.A N LYS 141.A O no hydrogen 2.937 N/A LYS 203.A NZ ASN 201.A OD1 no hydrogen 2.946 N/A LYS 203.A NZ PHE 243.A O no hydrogen 3.291 N/A VAL 205.A N VAL 246.A O no hydrogen 2.864 N/A VAL 206.A N VAL 143.A O no hydrogen 2.779 N/A ILE 207.A N LEU 248.A O no hydrogen 2.879 N/A ASP 208.A N ILE 145.A O no hydrogen 2.950 N/A SER 209.A N THR 147.A OG1 no hydrogen 2.904 N/A LEU 210.A N THR 250.A O no hydrogen 2.897 N/A THR 211.A N SER 209.A OG no hydrogen 3.193 N/A THR 211.A OG1 ASN 251.A OD1 no hydrogen 2.474 N/A SER 212.A N SER 209.A OG no hydrogen 3.096 N/A SER 212.A OG GLU 148.A OE2 no hydrogen 3.114 N/A THR 213.A OG1 GLN 185.A OE1 no hydrogen 2.611 N/A ARG 215.A N THR 211.A O no hydrogen 2.916 N/A ARG 215.A NH1 GLN 252.A OE1 no hydrogen 2.812 N/A ASN 216.A N THR 213.A O no hydrogen 3.176 N/A GLU 217.A N THR 213.A O no hydrogen 3.107 N/A GLU 217.A N PHE 214.A O no hydrogen 3.204 N/A TYR 218.A N PHE 214.A O no hydrogen 3.040 N/A LYS 221.A NZ GLU 224.A OE2 no hydrogen 2.927 N/A ALA 223.A N LYS 221.A O no hydrogen 2.804 N/A GLU 224.A N LYS 221.A O no hydrogen 3.062 N/A ARG 225.A N LYS 221.A O no hydrogen 3.268 N/A GLN 226.A NE2 GLY 262.A O no hydrogen 3.602 N/A GLN 227.A N ALA 223.A O no hydrogen 2.815 N/A LYS 228.A N GLU 224.A O no hydrogen 3.083 N/A LYS 228.A NZ SER 182.A OG no hydrogen 2.537 N/A LYS 228.A NZ ASP 183.A OD1 no hydrogen 2.517 N/A LYS 228.A NZ TYR 218.A OH no hydrogen 2.977 N/A LEU 229.A N ARG 225.A O no hydrogen 2.971 N/A GLY 230.A N GLN 226.A O no hydrogen 2.928 N/A ARG 231.A N GLN 227.A O no hydrogen 3.135 N/A HIS 232.A N LYS 228.A O no hydrogen 3.040 N/A MET 233.A N LEU 229.A O no hydrogen 2.903 N/A ALA 234.A N GLY 230.A O no hydrogen 2.963 N/A THR 235.A N ARG 231.A O no hydrogen 3.010 N/A THR 235.A OG1 ARG 231.A O no hydrogen 3.213 N/A LEU 236.A N HIS 232.A O no hydrogen 3.024 N/A ASN 237.A N MET 233.A O no hydrogen 2.903 N/A ASN 237.A ND2 MET 233.A O no hydrogen 3.248 N/A ASN 237.A ND2 ALA 269.A O no hydrogen 2.973 N/A LYS 238.A N ALA 234.A O no hydrogen 2.904 N/A LYS 238.A NZ THR 29.A O no hydrogen 3.240 N/A LYS 238.A NZ THR 29.A OG1 no hydrogen 3.193 N/A LEU 239.A N THR 235.A O no hydrogen 2.945 N/A ALA 240.A N LEU 236.A O no hydrogen 3.011 N/A ASP 241.A N ASN 237.A O no hydrogen 3.112 N/A LEU 242.A N LYS 238.A O no hydrogen 2.867 N/A PHE 243.A N LEU 239.A O no hydrogen 3.000 N/A ASN 244.A N ASP 241.A O no hydrogen 3.461 N/A ASN 244.A ND2 THR 73.A O no hydrogen 3.008 N/A ASN 244.A ND2 GLU 136.A OE1 no hydrogen 2.971 N/A CYS 245.A N ALA 240.A O no hydrogen 3.022 N/A CYS 245.A SG ILE 202.A O no hydrogen 3.945 N/A CYS 245.A SG VAL 246.A O no hydrogen 3.620 N/A VAL 246.A N LYS 203.A O no hydrogen 2.940 N/A VAL 247.A N SER 96.A O no hydrogen 3.336 N/A LEU 248.A N VAL 205.A O no hydrogen 2.791 N/A VAL 249.A N THR 98.A O no hydrogen 2.948 N/A THR 250.A N ILE 207.A O no hydrogen 3.017 N/A THR 250.A OG1 ASP 208.A OD1 no hydrogen 2.687 N/A ASN 251.A N PHE 100.A O no hydrogen 3.005 N/A ASN 251.A ND2 GLU 99.A OE2 no hydrogen 2.949 N/A ASN 251.A ND2 ILE 261.A O no hydrogen 2.808 N/A SER 254.A N GLN 259.A O no hydrogen 2.988 N/A GLN 259.A N SER 254.A O no hydrogen 3.103 N/A GLN 259.A NE2 SER 254.A OG no hydrogen 3.217 N/A ILE 261.A N GLN 252.A O no hydrogen 2.982 N/A ILE 265.A N GLN 226.A OE1 no hydrogen 3.153 N/A GLY 267.A N GLY 263.A O no hydrogen 3.101 N/A HIS 268.A N HIS 264.A O no hydrogen 2.874 N/A ALA 269.A N ILE 265.A O no hydrogen 2.988 N/A ALA 270.A N VAL 266.A O no hydrogen 2.988 N/A THR 271.A OG1 VAL 97.A O no hydrogen 3.241 N/A PHE 272.A N VAL 97.A O no hydrogen 3.109 N/A ARG 273.A N LYS 290.A O no hydrogen 2.988 N/A ARG 273.A NE GLU 99.A OE1 no hydrogen 2.704 N/A ARG 273.A NH2 GLU 99.A OE1 no hydrogen 3.238 N/A ARG 273.A NH2 GLU 99.A OE2 no hydrogen 2.833 N/A PHE 274.A N GLU 99.A O no hydrogen 2.873 N/A PHE 275.A N LYS 287.A O no hydrogen 2.931 N/A VAL 276.A N ALA 101.A O no hydrogen 2.773 N/A ARG 277.A N VAL 285.A O no hydrogen 2.954 N/A ARG 277.A NH1 GLU 298.A OE1 no hydrogen 3.472 N/A ARG 277.A NH1 GLU 298.A OE2 no hydrogen 3.380 N/A ARG 277.A NH2 GLU 298.A OE1 no hydrogen 3.279 N/A LYS 278.A NZ PHE 104.A O no hydrogen 2.880 N/A GLY 279.A N LYS 283.A O no hydrogen 2.792 N/A LYS 283.A N LYS 280.A O no hydrogen 3.117 N/A LYS 283.A NZ ASP 310.A OD2 no hydrogen 3.179 N/A ARG 284.A N PHE 301.A O no hydrogen 2.770 N/A ARG 284.A NH1 GLY 281.A O no hydrogen 2.928 N/A ARG 284.A NH1 LYS 283.A O no hydrogen 2.882 N/A VAL 285.A N ARG 277.A O no hydrogen 2.947 N/A ALA 286.A N ALA 299.A O no hydrogen 2.859 N/A LYS 287.A N PHE 275.A O no hydrogen 2.830 N/A LEU 288.A N ALA 297.A O no hydrogen 2.795 N/A TYR 289.A N ARG 273.A O no hydrogen 2.861 N/A LYS 290.A NZ GLY 267.A O no hydrogen 2.787 N/A LYS 290.A NZ ALA 270.A O no hydrogen 2.771 N/A LEU 294.A N SER 291.A OG no hydrogen 3.047 N/A ALA 297.A N LEU 288.A O no hydrogen 3.363 N/A ALA 299.A N ALA 286.A O no hydrogen 2.782 N/A ILE 300.A N GLU 83.A OE1 no hydrogen 2.789 N/A PHE 301.A N ARG 284.A O no hydrogen 3.081 N/A ARG 302.A N GLN 309.A O no hydrogen 2.941 N/A ARG 302.A NE ASP 282.A OD1 no hydrogen 2.971 N/A ARG 302.A NE ASP 282.A OD2 no hydrogen 3.379 N/A ARG 302.A NH1 ASP 282.A OD2 no hydrogen 2.843 N/A ILE 303.A N ASP 282.A O no hydrogen 2.927 N/A THR 304.A N GLY 307.A O no hydrogen 2.919 N/A THR 304.A OG1 GLN 309.A OE1 no hydrogen 2.518 N/A GLU 305.A N GLU 305.A OE2 no hydrogen 2.776 N/A LYS 306.A N THR 304.A OG1 no hydrogen 3.027 N/A LYS 306.A NZ GLU 305.A OE1 no hydrogen 2.871 N/A GLY 307.A N THR 304.A O no hydrogen 2.994 N/A ILE 308.A N GLN 114.A OE1 no hydrogen 2.743 N/A GLN 309.A N ARG 302.A O no hydrogen 2.954 N/A