Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8u1s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 3.A N GLU 2.A OE1 no hydrogen 2.779 N/A THR 4.A N ASP 80.A O no hydrogen 2.819 N/A ARG 7.A NE ASP 313.A OD1 no hydrogen 3.062 N/A ARG 7.A NH1 LYS 310.A O no hydrogen 2.973 N/A ARG 7.A NH2 ASP 309.A O no hydrogen 2.792 N/A ARG 7.A NH2 ASP 313.A OD1 no hydrogen 3.016 N/A SER 9.A N ARG 248.A O no hydrogen 2.813 N/A CYS 10.A N ASP 313.A O no hydrogen 2.811 N/A SER 13.A N GLY 332.A O no hydrogen 2.764 N/A THR 14.A N GLY 332.A O no hydrogen 3.322 N/A THR 14.A OG1 GLY 334.A O no hydrogen 2.617 N/A GLN 16.A N CYS 329.A O no hydrogen 2.991 N/A GLN 16.A NE2 GLN 335.A O no hydrogen 2.715 N/A ALA 18.A N ILE 327.A O no hydrogen 2.715 N/A LEU 19.A N ILE 327.A O no hydrogen 3.280 N/A ILE 21.A N THR 325.A O no hydrogen 3.035 N/A ARG 27.A N LEU 43.A O no hydrogen 2.991 N/A ARG 27.A NE GLU 320.A OE2 no hydrogen 3.127 N/A GLU 28.A N GLU 320.A OE2 no hydrogen 3.015 N/A PHE 30.A N PHE 41.A O no hydrogen 2.820 N/A ALA 32.A N LYS 39.A O no hydrogen 3.238 N/A GLY 34.A N GLU 37.A O no hydrogen 2.856 N/A LYS 39.A N ALA 32.A O no hydrogen 3.002 N/A LYS 39.A NZ GLU 37.A OE1 no hydrogen 3.317 N/A LYS 39.A NZ GLU 37.A OE2 no hydrogen 3.551 N/A HIS 40.A N VAL 55.A O no hydrogen 2.851 N/A HIS 40.A NE2 THR 325.A OG1 no hydrogen 2.962 N/A PHE 41.A N PHE 30.A O no hydrogen 2.815 N/A ALA 42.A N ILE 53.A O no hydrogen 3.184 N/A LEU 43.A N ARG 27.A O no hydrogen 3.015 N/A THR 44.A N HIS 51.A O no hydrogen 2.781 N/A HIS 45.A N ILE 25.A O no hydrogen 2.956 N/A LEU 49.A N ASN 47.A OD1 no hydrogen 2.876 N/A ARG 50.A N ASN 47.A O no hydrogen 3.076 N/A ARG 50.A NE THR 44.A O no hydrogen 2.862 N/A HIS 51.A N THR 44.A O no hydrogen 3.427 N/A HIS 51.A ND1 LEU 49.A O no hydrogen 2.893 N/A LEU 52.A N MET 70.A O no hydrogen 2.856 N/A ILE 53.A N ALA 42.A O no hydrogen 3.149 N/A SER 54.A N ILE 67.A O no hydrogen 2.979 N/A SER 54.A OG HIS 69.A NE2 no hydrogen 2.754 N/A VAL 55.A N HIS 40.A O no hydrogen 3.139 N/A LEU 57.A N CYS 38.A O no hydrogen 2.866 N/A LYS 59.A N LYS 56.A O no hydrogen 2.919 N/A THR 62.A OG1 GLU 64.A OE1 no hydrogen 3.284 N/A GLU 64.A N GLU 64.A OE1 no hydrogen 2.632 N/A ASN 65.A N THR 62.A OG1 no hydrogen 3.073 N/A ASN 65.A ND2 ILE 60.A O no hydrogen 2.917 N/A SER 66.A N THR 62.A O no hydrogen 2.924 N/A SER 66.A OG THR 62.A O no hydrogen 2.652 N/A ILE 67.A N SER 54.A O no hydrogen 3.058 N/A HIS 69.A N LEU 52.A O no hydrogen 2.788 N/A HIS 69.A NE2 SER 54.A OG no hydrogen 2.754 N/A ALA 72.A N ARG 50.A O no hydrogen 2.851 N/A TRP 73.A N VAL 89.A O no hydrogen 2.690 N/A TRP 73.A NE1 LEU 114.A O no hydrogen 3.328 N/A GLY 75.A N GLU 118.A OE1 no hydrogen 3.054 N/A SER 76.A N ILE 87.A O no hydrogen 2.878 N/A CYS 78.A N THR 85.A O no hydrogen 2.957 N/A ASP 80.A N GLU 83.A O no hydrogen 3.060 N/A GLY 81.A N HIS 79.A ND1 no hydrogen 2.866 N/A LYS 82.A N ASP 80.A OD1 no hydrogen 2.739 N/A GLU 83.A N ASP 80.A OD1 no hydrogen 2.837 N/A TRP 84.A N GLU 83.A OE1 no hydrogen 2.774 N/A TRP 84.A NE1 GLU 37.A OE2 no hydrogen 2.938 N/A THR 85.A N CYS 78.A O no hydrogen 2.823 N/A TYR 86.A N LYS 97.A O no hydrogen 2.805 N/A ILE 87.A N SER 76.A O no hydrogen 3.003 N/A GLY 88.A N LYS 95.A O no hydrogen 3.057 N/A VAL 89.A N SER 74.A O no hydrogen 2.940 N/A ASP 90.A N LEU 93.A O no hydrogen 3.219 N/A ALA 92.A N ASN 91.A OD1 no hydrogen 2.743 N/A LEU 93.A N ASP 90.A O no hydrogen 2.919 N/A LEU 94.A N TYR 106.A O no hydrogen 2.853 N/A LYS 95.A N GLY 88.A O no hydrogen 2.817 N/A VAL 96.A N ASP 104.A O no hydrogen 2.969 N/A LYS 97.A N TYR 86.A O no hydrogen 2.849 N/A LYS 97.A NZ HIS 69.A O no hydrogen 3.116 N/A LYS 97.A NZ TYR 102.A OH no hydrogen 3.171 N/A TYR 98.A N ALA 101.A O no hydrogen 2.805 N/A TYR 98.A OH ASP 80.A OD2 no hydrogen 2.699 N/A GLY 99.A N TRP 84.A O no hydrogen 2.880 N/A ALA 101.A N TYR 98.A O no hydrogen 3.140 N/A TYR 102.A OH HIS 69.A O no hydrogen 3.159 N/A THR 103.A N VAL 96.A O no hydrogen 2.879 N/A THR 103.A OG1 VAL 96.A O no hydrogen 3.028 N/A THR 103.A OG1 GLY 151.A O no hydrogen 2.379 N/A ASP 104.A N GLY 151.A O no hydrogen 3.212 N/A TYR 106.A N LEU 94.A O no hydrogen 2.870 N/A TYR 106.A OH GLU 156.A OE2 no hydrogen 2.556 N/A SER 108.A N ALA 92.A O no hydrogen 3.135 N/A SER 108.A OG ASN 112.A O no hydrogen 2.669 N/A SER 108.A OG ASP 134.A OD2 no hydrogen 3.515 N/A TYR 109.A N ASP 134.A OD2 no hydrogen 2.905 N/A ALA 110.A N ASP 134.A OD2 no hydrogen 3.069 N/A ASN 112.A N SER 108.A OG no hydrogen 2.837 N/A ILE 113.A N ASN 112.A OD1 no hydrogen 2.703 N/A ARG 115.A N THR 133.A O no hydrogen 3.043 N/A ARG 115.A NH2 GLU 167.A OE1 no hydrogen 2.777 N/A THR 116.A OG1 GLN 117.A O no hydrogen 3.296 N/A GLN 117.A N MET 131.A O no hydrogen 3.097 N/A GLN 117.A NE2 CYS 169.A O no hydrogen 2.862 N/A SER 119.A OG ALA 120.A O no hydrogen 2.753 N/A CYS 121.A N ALA 77.A O no hydrogen 2.946 N/A ASN 122.A N TYR 129.A O no hydrogen 3.438 N/A ASN 122.A ND2 CYS 171.A O no hydrogen 2.936 N/A CYS 123.A SG HIS 79.A O no hydrogen 3.714 N/A ILE 124.A N ASN 127.A O no hydrogen 2.948 N/A GLY 125.A N THR 4.A O no hydrogen 2.948 N/A ASN 127.A N ILE 124.A O no hydrogen 3.148 N/A CYS 128.A N ILE 148.A O no hydrogen 2.854 N/A TYR 129.A N ASN 122.A O no hydrogen 2.808 N/A TYR 129.A OH ASP 202.A OD1 no hydrogen 2.751 N/A LEU 130.A N LEU 146.A O no hydrogen 2.980 N/A MET 131.A N GLN 117.A OE1 no hydrogen 2.860 N/A ILE 132.A N ARG 144.A O no hydrogen 2.890 N/A THR 133.A N ARG 115.A O no hydrogen 2.813 N/A THR 133.A OG1 SER 141.A OG no hydrogen 3.194 N/A THR 133.A OG1 GLU 142.A O no hydrogen 3.429 N/A THR 133.A OG1 THR 166.A O no hydrogen 2.786 N/A ASP 134.A N GLU 142.A O no hydrogen 3.257 N/A SER 136.A OG SER 138.A OG no hydrogen 3.224 N/A SER 138.A N SER 136.A OG no hydrogen 3.199 N/A SER 138.A OG SER 136.A OG no hydrogen 3.224 N/A GLY 139.A N SER 136.A O no hydrogen 3.247 N/A SER 141.A N LYS 164.A O no hydrogen 2.798 N/A SER 141.A OG THR 133.A OG1 no hydrogen 3.194 N/A SER 141.A OG ASP 134.A O no hydrogen 3.264 N/A SER 141.A OG GLU 167.A OE2 no hydrogen 2.795 N/A GLU 142.A N ASP 134.A O no hydrogen 2.985 N/A ARG 144.A N ILE 132.A O no hydrogen 2.936 N/A PHE 145.A N ILE 157.A O no hydrogen 2.972 N/A LEU 146.A N LEU 130.A O no hydrogen 2.816 N/A LYS 147.A N LYS 155.A O no hydrogen 2.842 N/A LYS 147.A NZ ASP 202.A OD2 no hydrogen 2.859 N/A ILE 148.A N CYS 128.A O no hydrogen 2.817 N/A ARG 149.A N ARG 152.A O no hydrogen 2.815 N/A ARG 149.A NH1 ASN 127.A OD1 no hydrogen 3.069 N/A ARG 152.A N ARG 149.A O no hydrogen 2.950 N/A ARG 152.A NH1 GLU 150.A O no hydrogen 2.964 N/A ILE 153.A N ASP 104.A OD2 no hydrogen 2.726 N/A ILE 154.A N LYS 147.A O no hydrogen 2.921 N/A LYS 155.A N LYS 147.A O no hydrogen 3.443 N/A LYS 155.A NZ ASP 202.A OD2 no hydrogen 2.938 N/A ILE 157.A N PHE 145.A O no hydrogen 2.796 N/A THR 160.A N ALA 204.A O no hydrogen 2.995 N/A ARG 162.A N ILE 206.A O no hydrogen 2.739 N/A ARG 162.A NH1 ASP 185.A OD2 no hydrogen 2.742 N/A ARG 162.A NH2 ASP 185.A OD2 no hydrogen 2.798 N/A ARG 162.A NH2 ASP 232.A OD1 no hydrogen 2.824 N/A LYS 164.A NZ ASP 232.A OD2 no hydrogen 2.744 N/A HIS 165.A ND1 GLY 139.A O no hydrogen 2.853 N/A THR 166.A N SER 141.A O no hydrogen 3.014 N/A GLU 167.A N ARG 184.A O no hydrogen 3.102 N/A THR 170.A N ALA 182.A O no hydrogen 3.131 N/A THR 170.A OG1 GLY 242.A O no hydrogen 2.666 N/A GLY 172.A N GLU 180.A O no hydrogen 3.030 N/A ALA 174.A N THR 178.A O no hydrogen 2.920 N/A SER 175.A N THR 178.A O no hydrogen 3.374 N/A LYS 177.A N SER 175.A OG no hydrogen 3.212 N/A LYS 177.A NZ GLU 200.A OE1 no hydrogen 3.541 N/A LYS 177.A NZ GLU 200.A OE2 no hydrogen 2.818 N/A THR 178.A N SER 175.A O no hydrogen 3.067 N/A THR 178.A OG1 ILE 179.A O no hydrogen 3.383 N/A THR 178.A OG1 LEU 197.A O no hydrogen 2.662 N/A ILE 179.A N LEU 197.A O no hydrogen 3.017 N/A GLU 180.A N GLY 172.A O no hydrogen 2.968 N/A CYS 181.A N VAL 195.A O no hydrogen 2.922 N/A ALA 182.A N THR 170.A O no hydrogen 2.901 N/A CYS 183.A N PRO 193.A O no hydrogen 3.019 N/A CYS 183.A SG CYS 181.A O no hydrogen 3.952 N/A ARG 184.A N GLU 167.A O no hydrogen 2.813 N/A ARG 184.A NH1 GLU 168.A OE1 no hydrogen 2.826 N/A ARG 184.A NH1 GLU 168.A OE2 no hydrogen 3.531 N/A ASP 185.A N ASP 216.A OD2 no hydrogen 3.119 N/A ASN 186.A N HIS 165.A NE2 no hydrogen 2.991 N/A ARG 187.A N ASN 186.A OD1 no hydrogen 2.672 N/A ARG 187.A NH1 SER 138.A O no hydrogen 2.838 N/A TYR 188.A N ASN 186.A O no hydrogen 2.626 N/A LYS 191.A N THR 189.A OG1 no hydrogen 2.957 N/A LYS 191.A NZ CYS 229.A O no hydrogen 3.384 N/A ARG 192.A NE LEU 215.A O no hydrogen 3.224 N/A ARG 192.A NH1 ILE 240.A O no hydrogen 2.803 N/A ARG 192.A NH2 LEU 215.A O no hydrogen 2.932 N/A ARG 192.A NH2 ILE 240.A O no hydrogen 2.786 N/A PHE 194.A N ARG 207.A O no hydrogen 2.820 N/A VAL 195.A N CYS 181.A O no hydrogen 2.906 N/A LYS 196.A N GLU 205.A O no hydrogen 2.926 N/A LYS 196.A NZ ASP 278.A OD1 no hydrogen 2.816 N/A LYS 196.A NZ ASP 278.A OD2 no hydrogen 3.409 N/A LEU 197.A N ILE 179.A O no hydrogen 2.802 N/A ASN 198.A N THR 203.A O no hydrogen 2.878 N/A VAL 199.A N LYS 177.A O no hydrogen 3.236 N/A GLU 200.A N ASN 198.A OD1 no hydrogen 2.751 N/A THR 201.A N ASN 198.A OD1 no hydrogen 2.986 N/A THR 203.A N ASN 198.A O no hydrogen 3.159 N/A THR 203.A OG1 THR 201.A O no hydrogen 2.778 N/A GLU 205.A N LYS 196.A O no hydrogen 3.042 N/A ILE 206.A N THR 160.A O no hydrogen 2.906 N/A ARG 207.A N PHE 194.A O no hydrogen 3.148 N/A MET 209.A N ARG 192.A O no hydrogen 3.004 N/A CYS 210.A N PRO 279.A O no hydrogen 2.858 N/A THR 211.A OG1 ASP 284.A O no hydrogen 2.746 N/A ASP 212.A N SER 283.A O no hydrogen 3.013 N/A THR 213.A N THR 211.A OG1 no hydrogen 3.287 N/A THR 213.A OG1 ASP 212.A OD1 no hydrogen 3.038 N/A TYR 214.A N ASP 222.A OD1 no hydrogen 2.939 N/A ASP 216.A N ALA 190.A O no hydrogen 3.055 N/A THR 217.A N ASP 216.A OD1 no hydrogen 2.725 N/A THR 217.A OG1 THR 260.A OG1 no hydrogen 2.581 N/A ARG 219.A N LYS 263.A O no hydrogen 3.255 N/A ARG 219.A NH1 SER 262.A O no hydrogen 2.740 N/A ARG 219.A NH2 MET 261.A O no hydrogen 3.107 N/A GLY 223.A N ASP 212.A O no hydrogen 2.916 N/A SER 224.A N ASN 221.A O no hydrogen 2.919 N/A SER 224.A OG ASN 221.A O no hydrogen 2.586 N/A GLY 227.A N ILE 225.A O no hydrogen 2.494 N/A SER 231.A N PRO 228.A O no hydrogen 3.052 N/A SER 231.A OG PRO 228.A O no hydrogen 3.295 N/A LYS 235.A NZ ARG 219.A O no hydrogen 2.862 N/A GLY 238.A N ASN 186.A OD1 no hydrogen 2.876 N/A ILE 240.A N ASP 216.A OD1 no hydrogen 2.792 N/A LYS 241.A NZ GLU 118.A O no hydrogen 2.695 N/A GLY 243.A N SER 258.A OG no hydrogen 2.754 N/A VAL 245.A N TRP 256.A O no hydrogen 3.144 N/A HIS 246.A NE2 GLU 180.A OE1 no hydrogen 2.866 N/A GLN 247.A N GLY 254.A O no hydrogen 2.869 N/A GLN 247.A NE2 GLY 12.A O no hydrogen 2.818 N/A ARG 248.A N SER 9.A OG no hydrogen 2.773 N/A ARG 248.A NE ARG 7.A O no hydrogen 2.806 N/A ARG 248.A NH1 PHE 173.A O no hydrogen 2.900 N/A ARG 248.A NH1 GLU 306.A OE1 no hydrogen 3.558 N/A ARG 248.A NH1 GLU 306.A OE2 no hydrogen 2.878 N/A ARG 248.A NH2 ARG 7.A O no hydrogen 2.882 N/A ARG 248.A NH2 GLU 306.A OE1 no hydrogen 2.825 N/A MET 249.A N LYS 252.A O no hydrogen 3.016 N/A GLY 254.A N GLN 247.A O no hydrogen 2.825 N/A ARG 255.A N LYS 274.A O no hydrogen 2.871 N/A ARG 255.A NE GLU 180.A OE1 no hydrogen 3.080 N/A ARG 255.A NH1 GLY 277.A O no hydrogen 3.069 N/A ARG 255.A NH2 GLU 180.A OE2 no hydrogen 3.010 N/A TRP 256.A N VAL 245.A O no hydrogen 2.998 N/A TRP 256.A NE1 GLN 247.A OE1 no hydrogen 2.878 N/A TYR 257.A N TYR 272.A O no hydrogen 2.823 N/A SER 258.A N GLY 243.A O no hydrogen 3.107 N/A SER 258.A OG SER 302.A OG no hydrogen 2.456 N/A ARG 259.A N GLY 270.A O no hydrogen 3.079 N/A ARG 259.A NH1 TYR 214.A O no hydrogen 3.035 N/A ARG 259.A NH1 ASP 222.A OD2 no hydrogen 2.952 N/A THR 260.A OG1 THR 217.A OG1 no hydrogen 2.581 N/A THR 260.A OG1 SER 262.A O no hydrogen 2.765 N/A MET 261.A N MET 267.A O no hydrogen 2.848 N/A SER 262.A N MET 267.A O no hydrogen 3.288 N/A SER 262.A OG GLU 265.A O no hydrogen 2.870 N/A THR 264.A N SER 262.A OG no hydrogen 2.775 N/A ARG 266.A NH2 GLY 239.A O no hydrogen 2.595 N/A GLY 268.A N GLU 297.A O no hydrogen 3.019 N/A MET 269.A N VAL 293.A O no hydrogen 2.910 N/A GLY 270.A N ARG 259.A O no hydrogen 2.732 N/A LEU 271.A N GLY 290.A O no hydrogen 2.841 N/A TYR 272.A N TYR 257.A O no hydrogen 2.892 N/A VAL 273.A N ALA 287.A O no hydrogen 2.819 N/A LYS 274.A N ARG 255.A O no hydrogen 3.077 N/A LYS 274.A NZ ASP 282.A OD2 no hydrogen 2.384 N/A GLY 276.A N ILE 253.A O no hydrogen 2.890 N/A TRP 280.A NE1 PHE 194.A O no hydrogen 2.795 N/A ALA 281.A N ASP 278.A O no hydrogen 2.923 N/A ASP 282.A N PRO 279.A O no hydrogen 3.485 N/A ASP 284.A N ASP 282.A OD1 no hydrogen 2.997 N/A LEU 286.A N THR 213.A OG1 no hydrogen 3.066 N/A ALA 287.A N VAL 273.A O no hydrogen 2.860 N/A SER 289.A N LEU 271.A O no hydrogen 2.800 N/A MET 292.A N MET 269.A O no hydrogen 2.734 N/A VAL 293.A N MET 269.A O no hydrogen 2.990 N/A GLU 297.A N PRO 294.A O no hydrogen 3.069 N/A GLY 299.A N ARG 266.A O no hydrogen 3.384 N/A TRP 300.A N GLU 320.A O no hydrogen 2.898 N/A SER 302.A N LYS 241.A O no hydrogen 3.315 N/A SER 302.A OG SER 258.A OG no hydrogen 2.456 N/A PHE 303.A N GLY 318.A O no hydrogen 2.909 N/A PHE 305.A N CYS 316.A O no hydrogen 2.942 N/A ILE 307.A N VAL 314.A O no hydrogen 2.953 N/A LYS 308.A NZ ASP 313.A OD2 no hydrogen 2.598 N/A ASP 309.A N CYS 312.A O no hydrogen 2.820 N/A LYS 310.A N ASP 309.A OD1 no hydrogen 2.584 N/A ASP 313.A N LEU 8.A O no hydrogen 3.236 N/A VAL 314.A N ILE 307.A O no hydrogen 2.839 N/A CYS 316.A N PHE 305.A O no hydrogen 2.976 N/A CYS 316.A SG VAL 314.A O no hydrogen 3.608 N/A ILE 317.A N TYR 328.A O no hydrogen 2.831 N/A GLY 318.A N PHE 303.A O no hydrogen 2.797 N/A ILE 319.A N ALA 326.A O no hydrogen 2.804 N/A GLU 320.A N TYR 301.A O no hydrogen 2.795 N/A MET 321.A N ALA 324.A O no hydrogen 2.790 N/A ALA 324.A N MET 321.A O no hydrogen 2.886 N/A THR 325.A N ILE 21.A O no hydrogen 2.878 N/A THR 325.A OG1 HIS 40.A NE2 no hydrogen 2.962 N/A ALA 326.A N ILE 319.A O no hydrogen 2.960 N/A ILE 327.A N LEU 19.A O no hydrogen 2.850 N/A TYR 328.A N ILE 317.A O no hydrogen 2.947 N/A CYS 329.A N GLN 16.A O no hydrogen 3.006 N/A LEU 330.A N PRO 315.A O no hydrogen 3.025 N/A MET 331.A N CYS 329.A O no hydrogen 2.866 N/A GLN 335.A N GLN 335.A OE1 no hydrogen 2.559 N/A LEU 337.A N GLN 16.A OE1 no hydrogen 2.903 N/A