Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1s8e_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASP 42.A OD1 no hydrogen 2.657 N/A LYS 2.A N ASP 42.A OD1 no hydrogen 2.760 N/A LYS 2.A NZ GLU 39.A O no hydrogen 2.633 N/A PHE 3.A N VAL 258.A O no hydrogen 2.845 N/A ALA 4.A N PHE 43.A O no hydrogen 3.106 N/A HIS 5.A N TYR 256.A O no hydrogen 2.835 N/A HIS 5.A ND1 TYR 201.A OH no hydrogen 2.912 N/A HIS 5.A NE2 LEU 204.A O no hydrogen 3.074 N/A LEU 6.A N LEU 45.A O no hydrogen 2.871 N/A ASP 8.A N GLY 48.A O no hydrogen 3.002 N/A HIS 10.A N ASP 49.A O no hydrogen 3.100 N/A HIS 10.A ND1 HIS 52.A ND1 no hydrogen 3.137 N/A LEU 11.A N LEU 50.A O no hydrogen 3.033 N/A TYR 13.A N HIS 10.A O no hydrogen 3.050 N/A GLN 15.A NE2 ARG 228.A O no hydrogen 3.130 N/A HIS 17.A N GLU 14.A O no hydrogen 2.889 N/A LYS 18.A N GLN 15.A O no hydrogen 3.130 N/A LYS 18.A NZ GLN 20.A OE1 no hydrogen 3.093 N/A ARG 21.A N LYS 18.A O no hydrogen 2.849 N/A ARG 21.A NE GLN 15.A OE1 no hydrogen 2.665 N/A ARG 21.A NH1 GLN 15.A OE1 no hydrogen 2.777 N/A ARG 21.A NH1 GLU 227.A OE2 no hydrogen 3.129 N/A ARG 21.A NH1 ARG 228.A O no hydrogen 3.473 N/A ARG 21.A NH2 GLU 24.A OE1 no hydrogen 2.683 N/A ARG 21.A NH2 GLU 227.A OE2 no hydrogen 2.899 N/A GLU 23.A N PRO 19.A O no hydrogen 3.186 N/A GLU 24.A N GLN 20.A O no hydrogen 2.936 N/A PHE 25.A N ARG 21.A O no hydrogen 2.833 N/A ALA 26.A N GLU 22.A O no hydrogen 3.277 N/A GLU 27.A N GLU 23.A O no hydrogen 2.886 N/A ALA 28.A N GLU 24.A O no hydrogen 2.793 N/A PHE 29.A N PHE 25.A O no hydrogen 3.174 N/A LYS 30.A N ALA 26.A O no hydrogen 2.882 N/A ASN 31.A N GLU 27.A O no hydrogen 2.934 N/A ALA 32.A N ALA 28.A O no hydrogen 3.011 N/A LEU 33.A N PHE 29.A O no hydrogen 3.033 N/A GLU 34.A N LYS 30.A O no hydrogen 3.016 N/A ILE 35.A N ASN 31.A O no hydrogen 3.171 N/A ALA 36.A N ALA 32.A O no hydrogen 2.971 N/A VAL 37.A N LEU 33.A O no hydrogen 3.021 N/A GLN 38.A N GLU 34.A O no hydrogen 2.994 N/A GLU 39.A N ILE 35.A O no hydrogen 2.834 N/A ASN 40.A N VAL 37.A O no hydrogen 2.967 N/A VAL 41.A N ALA 36.A O no hydrogen 3.215 N/A ASP 42.A N LYS 2.A O no hydrogen 2.823 N/A ILE 44.A N PRO 77.A O no hydrogen 3.016 N/A LEU 45.A N ALA 4.A O no hydrogen 2.898 N/A ILE 46.A N PHE 79.A O no hydrogen 2.881 N/A ALA 47.A N LEU 6.A O no hydrogen 2.994 N/A GLY 48.A N ILE 46.A O no hydrogen 2.840 N/A HIS 52.A N LEU 11.A O no hydrogen 3.118 N/A HIS 52.A ND1 HIS 10.A ND1 no hydrogen 3.137 N/A ARG 55.A N SER 53.A OG no hydrogen 2.857 N/A SER 57.A OG THR 60.A OG1 no hydrogen 3.211 N/A THR 60.A N SER 57.A OG no hydrogen 3.405 N/A THR 60.A OG1 SER 57.A OG no hydrogen 3.211 N/A LEU 61.A N SER 57.A O no hydrogen 3.060 N/A LYS 62.A N PRO 58.A O no hydrogen 2.862 N/A LYS 63.A N GLY 59.A O no hydrogen 2.960 N/A ALA 64.A N THR 60.A O no hydrogen 2.738 N/A ILE 65.A N LEU 61.A O no hydrogen 2.876 N/A ALA 66.A N LYS 62.A O no hydrogen 2.972 N/A LEU 67.A N LYS 63.A O no hydrogen 2.812 N/A LEU 68.A N ALA 64.A O no hydrogen 2.762 N/A GLN 69.A N ALA 66.A O no hydrogen 3.184 N/A ILE 70.A N LEU 67.A O no hydrogen 3.229 N/A LYS 72.A NZ PHE 101.A O no hydrogen 3.423 N/A LYS 72.A NZ GLY 102.A O no hydrogen 3.526 N/A GLU 73.A N GLN 69.A O no hydrogen 2.673 N/A HIS 74.A N PRO 71.A O no hydrogen 3.168 N/A SER 75.A N LYS 72.A O no hydrogen 2.820 N/A ILE 76.A N PRO 71.A O no hydrogen 2.774 N/A PHE 79.A N ILE 44.A O no hydrogen 2.704 N/A ALA 80.A N TYR 105.A O no hydrogen 3.028 N/A ILE 81.A N ILE 46.A O no hydrogen 3.350 N/A ARG 87.A N LEU 85.A O no hydrogen 2.863 N/A THR 88.A OG1 GLY 91.A O no hydrogen 2.948 N/A SER 93.A N ASN 96.A OD1 no hydrogen 2.864 N/A SER 93.A OG GLU 82.A OE1 no hydrogen 2.761 N/A SER 93.A OG ASN 96.A OD1 no hydrogen 3.318 N/A LEU 97.A N SER 93.A O no hydrogen 3.143 N/A LEU 98.A N VAL 94.A O no hydrogen 2.898 N/A GLU 99.A N LEU 95.A O no hydrogen 2.884 N/A ASP 100.A N ASN 96.A O no hydrogen 3.002 N/A PHE 101.A N LEU 97.A O no hydrogen 3.031 N/A GLY 102.A N GLU 99.A O no hydrogen 2.570 N/A LEU 103.A N LEU 98.A O no hydrogen 2.992 N/A TYR 105.A N VAL 78.A O no hydrogen 2.860 N/A VAL 106.A N GLU 99.A OE2 no hydrogen 3.084 N/A ILE 107.A N ALA 80.A O no hydrogen 2.953 N/A GLY 108.A N VAL 131.A O no hydrogen 2.966 N/A ARG 110.A N TYR 129.A O no hydrogen 3.049 N/A ARG 110.A NH1 GLU 99.A OE1 no hydrogen 3.531 N/A ARG 110.A NH1 GLU 99.A OE2 no hydrogen 2.807 N/A ARG 110.A NH1 VAL 106.A O no hydrogen 2.700 N/A ARG 110.A NH2 GLU 99.A OE1 no hydrogen 3.359 N/A VAL 114.A N SER 121.A OG no hydrogen 2.700 N/A ASN 116.A N LEU 119.A O no hydrogen 2.789 N/A TYR 118.A N ASN 116.A OD1 no hydrogen 2.724 N/A LEU 119.A N ASN 116.A OD1 no hydrogen 2.729 N/A THR 120.A N LYS 132.A O no hydrogen 3.175 N/A THR 120.A OG1 GLU 115.A OE1 no hydrogen 3.045 N/A THR 120.A OG1 GLU 115.A OE2 no hydrogen 3.007 N/A SER 121.A N GLU 115.A OE1 no hydrogen 2.717 N/A SER 121.A OG VAL 114.A O no hydrogen 2.390 N/A GLU 122.A N LEU 130.A O no hydrogen 3.013 N/A LEU 124.A N GLU 128.A O no hydrogen 2.499 N/A GLY 127.A N LEU 124.A O no hydrogen 2.896 N/A TYR 129.A N ARG 110.A O no hydrogen 3.073 N/A LEU 130.A N GLU 122.A O no hydrogen 3.097 N/A VAL 131.A N GLY 108.A O no hydrogen 2.790 N/A LYS 132.A N THR 120.A O no hydrogen 3.037 N/A LYS 132.A NZ GLU 122.A OE2 no hydrogen 3.523 N/A LYS 132.A NZ HIS 141.A NE2 no hydrogen 3.536 N/A GLY 133.A N ILE 140.A O no hydrogen 2.788 N/A VAL 134.A N TYR 118.A O no hydrogen 2.538 N/A TYR 135.A N LEU 138.A O no hydrogen 3.065 N/A LEU 138.A N TYR 135.A O no hydrogen 2.853 N/A GLU 139.A N ASN 167.A O no hydrogen 3.099 N/A ILE 140.A N GLY 133.A O no hydrogen 3.020 N/A HIS 141.A N ILE 169.A O no hydrogen 2.701 N/A HIS 141.A ND1 TYR 199.A OH no hydrogen 2.358 N/A HIS 141.A NE2 GLU 139.A OE1 no hydrogen 3.055 N/A TYR 145.A N GLU 82.A O no hydrogen 2.936 N/A MET 146.A N GLN 174.A OE1 no hydrogen 2.874 N/A TRP 150.A N SER 147.A O no hydrogen 3.120 N/A PHE 151.A N SER 148.A O no hydrogen 3.287 N/A GLU 152.A N ALA 149.A O no hydrogen 2.986 N/A ASN 154.A ND2 TRP 150.A O no hydrogen 2.468 N/A ILE 157.A N ASN 154.A O no hydrogen 2.925 N/A LYS 159.A NZ GLY 193.A O no hydrogen 3.109 N/A ARG 160.A N GLU 156.A O no hydrogen 3.118 N/A ARG 160.A NH2 LYS 155.A O no hydrogen 2.946 N/A LEU 161.A N ILE 157.A O no hydrogen 2.713 N/A PHE 162.A N LEU 158.A O no hydrogen 2.669 N/A ASN 167.A N THR 165.A OG1 no hydrogen 3.186 N/A ILE 169.A N GLU 139.A O no hydrogen 2.856 N/A LEU 170.A N TYR 201.A O no hydrogen 3.079 N/A MET 171.A N HIS 141.A O no hydrogen 2.742 N/A LEU 172.A N ALA 203.A O no hydrogen 3.132 N/A HIS 173.A ND1 ALA 47.A O no hydrogen 2.600 N/A GLN 174.A NE2 MET 146.A O no hydrogen 2.991 N/A GLN 174.A NE2 GLU 189.A OE1 no hydrogen 3.119 N/A GLY 175.A N GLU 189.A OE1 no hydrogen 2.560 N/A ARG 177.A N ILE 190.A O no hydrogen 2.683 N/A SER 180.A N VAL 176.A O no hydrogen 3.039 N/A SER 180.A OG VAL 176.A O no hydrogen 3.450 N/A SER 180.A OG ARG 177.A O no hydrogen 3.029 N/A GLU 181.A N ARG 177.A O no hydrogen 2.927 N/A ALA 182.A N GLU 178.A O no hydrogen 3.192 N/A ALA 182.A N VAL 179.A O no hydrogen 3.073 N/A ARG 183.A N SER 180.A O no hydrogen 3.183 N/A ARG 183.A NH1 LYS 209.A O no hydrogen 3.367 N/A ARG 183.A NH1 ARG 210.A O no hydrogen 2.644 N/A ARG 183.A NH2 LYS 209.A O no hydrogen 3.054 N/A GLY 184.A N GLU 181.A O no hydrogen 3.226 N/A GLU 185.A N SER 180.A O no hydrogen 2.872 N/A GLU 189.A N GLY 175.A O no hydrogen 3.066 N/A ILE 190.A N GLY 175.A O no hydrogen 3.415 N/A GLY 191.A N ASP 194.A OD2 no hydrogen 2.833 N/A LEU 192.A N GLU 178.A OE2 no hydrogen 2.789 N/A ASP 194.A N GLY 191.A O no hydrogen 2.953 N/A LEU 195.A N LEU 192.A O no hydrogen 2.840 N/A TYR 199.A OH HIS 141.A ND1 no hydrogen 2.358 N/A LEU 200.A N ALA 168.A O no hydrogen 2.939 N/A TYR 201.A OH HIS 5.A ND1 no hydrogen 2.912 N/A TYR 202.A N PRO 219.A O no hydrogen 2.857 N/A TYR 202.A OH PRO 196.A O no hydrogen 2.464 N/A ALA 203.A N LEU 170.A O no hydrogen 2.842 N/A LEU 204.A N VAL 221.A O no hydrogen 2.892 N/A GLY 205.A N LEU 172.A O no hydrogen 3.124 N/A HIS 206.A N ASP 8.A OD2 no hydrogen 2.911 N/A HIS 206.A ND1 HIS 173.A NE2 no hydrogen 3.271 N/A LYS 209.A NZ GLY 232.A O no hydrogen 3.023 N/A ARG 210.A NH2 TYR 256.A OH no hydrogen 2.770 N/A TYR 211.A N TYR 222.A O no hydrogen 3.059 N/A THR 213.A N VAL 220.A O no hydrogen 2.803 N/A TYR 215.A N SER 218.A O no hydrogen 2.862 N/A TYR 215.A OH LEU 195.A O no hydrogen 2.738 N/A SER 216.A OG TYR 215.A O no hydrogen 3.116 N/A SER 216.A OG SER 216.A O no hydrogen 2.426 N/A SER 218.A N TYR 215.A O no hydrogen 2.878 N/A SER 218.A OG TYR 199.A O no hydrogen 2.775 N/A VAL 220.A N THR 213.A O no hydrogen 2.774 N/A VAL 221.A N TYR 202.A O no hydrogen 3.019 N/A TYR 222.A N TYR 211.A O no hydrogen 2.931 N/A TYR 222.A OH GLN 174.A O no hydrogen 2.452 N/A SER 225.A N HIS 208.A O no hydrogen 2.914 N/A SER 225.A OG GLU 227.A O no hydrogen 2.737 N/A ARG 228.A NH1 VAL 251.A O no hydrogen 3.202 N/A ARG 228.A NH2 ASP 233.A O no hydrogen 2.802 N/A ARG 228.A NH2 VAL 251.A O no hydrogen 3.371 N/A TRP 229.A N ASP 233.A OD1 no hydrogen 3.095 N/A GLY 232.A N ASP 230.A OD2 no hydrogen 3.089 N/A ASP 233.A N ASP 230.A O no hydrogen 2.793 N/A ASP 233.A N ASP 230.A OD2 no hydrogen 3.214 N/A GLU 235.A N PHE 273.A O no hydrogen 2.914 N/A ARG 237.A N ARG 248.A O no hydrogen 2.912 N/A ARG 237.A NE ASP 275.A OD1 no hydrogen 2.760 N/A ARG 237.A NH1 ASP 275.A OD1 no hydrogen 2.750 N/A TYR 238.A N ASP 275.A O no hydrogen 2.769 N/A GLU 239.A N LYS 246.A O no hydrogen 3.326 N/A TRP 240.A N LYS 277.A O no hydrogen 2.989 N/A TRP 240.A NE1 GLU 284.A OE1 no hydrogen 3.038 N/A ASP 241.A N LYS 244.A O no hydrogen 2.841 N/A ILE 243.A N ASP 241.A OD2 no hydrogen 2.784 N/A LYS 244.A N ASP 241.A OD2 no hydrogen 2.878 N/A LYS 246.A N GLU 239.A O no hydrogen 2.877 N/A ARG 248.A N ARG 237.A O no hydrogen 3.029 N/A TYR 249.A OH GLU 247.A OE1 no hydrogen 2.880 N/A GLY 250.A N GLU 235.A O no hydrogen 3.250 N/A LYS 253.A NZ HIS 208.A O no hydrogen 3.203 N/A LYS 253.A NZ SER 225.A O no hydrogen 3.094 N/A LYS 253.A NZ SER 225.A OG no hydrogen 3.060 N/A LYS 253.A NZ ASP 233.A OD1 no hydrogen 2.923 N/A PHE 255.A N VAL 266.A O no hydrogen 3.135 N/A TYR 256.A N HIS 5.A O no hydrogen 3.239 N/A ILE 257.A N ARG 264.A O no hydrogen 2.894 N/A VAL 258.A N PHE 3.A O no hydrogen 2.721 N/A GLU 259.A N LYS 262.A O no hydrogen 3.163 N/A ASP 260.A N MET 1.A O no hydrogen 3.314 N/A LYS 262.A N GLU 259.A O no hydrogen 2.908 N/A ARG 264.A N ILE 257.A O no hydrogen 2.878 N/A ARG 264.A NH2 GLU 39.A OE2 no hydrogen 3.145 N/A VAL 266.A N PHE 255.A O no hydrogen 2.758 N/A ILE 268.A N LYS 253.A O no hydrogen 2.935 N/A ARG 271.A NE GLU 24.A OE1 no hydrogen 2.922 N/A ARG 271.A NH1 GLU 24.A OE2 no hydrogen 3.014 N/A ARG 271.A NH2 ASN 299.A O no hydrogen 2.717 N/A ILE 274.A N TYR 301.A O no hydrogen 2.781 N/A ASP 275.A N VAL 236.A O no hydrogen 2.999 N/A VAL 276.A N ARG 303.A O no hydrogen 2.855 N/A LYS 277.A N TYR 238.A O no hydrogen 2.819 N/A ILE 278.A N ASN 305.A O no hydrogen 3.105 N/A GLY 280.A N GLY 307.A O no hydrogen 2.864 N/A GLU 284.A N SER 281.A OG no hydrogen 2.940 N/A ILE 285.A N SER 281.A O no hydrogen 2.774 N/A ARG 286.A N GLU 282.A O no hydrogen 2.851 N/A ARG 286.A NE GLU 316.A OE1 no hydrogen 2.836 N/A ARG 286.A NH1 GLU 316.A OE2 no hydrogen 3.057 N/A LYS 287.A N GLU 283.A O no hydrogen 3.106 N/A ALA 288.A N GLU 284.A O no hydrogen 2.927 N/A ILE 289.A N ILE 285.A O no hydrogen 2.826 N/A LYS 290.A N ARG 286.A O no hydrogen 2.986 N/A ARG 291.A N LYS 287.A O no hydrogen 3.302 N/A ARG 291.A NH1 ILE 243.A O no hydrogen 2.783 N/A LEU 292.A N ALA 288.A O no hydrogen 2.971 N/A ILE 293.A N ILE 289.A O no hydrogen 3.111 N/A LEU 295.A N LEU 292.A O no hydrogen 2.700 N/A ALA 300.A N PRO 297.A O no hydrogen 3.109 N/A TYR 301.A N PRO 272.A O no hydrogen 3.005 N/A VAL 302.A N TYR 325.A O no hydrogen 2.897 N/A ARG 303.A N ILE 274.A O no hydrogen 2.904 N/A ARG 303.A NE ASP 275.A OD2 no hydrogen 2.698 N/A ARG 303.A NH1 ASP 275.A OD1 no hydrogen 2.934 N/A ARG 303.A NH1 ASP 275.A OD2 no hydrogen 3.088 N/A LEU 304.A N LYS 327.A O no hydrogen 2.860 N/A ASN 305.A N VAL 276.A O no hydrogen 2.661 N/A ILE 306.A N ASP 329.A O no hydrogen 2.763 N/A GLY 307.A N ILE 278.A O no hydrogen 2.884 N/A TRP 308.A N TRP 331.A O no hydrogen 3.162 N/A THR 315.A N ASP 313.A OD2 no hydrogen 3.068 N/A THR 315.A OG1 ASP 313.A OD2 no hydrogen 2.773 N/A LYS 318.A N LEU 314.A O no hydrogen 2.902 N/A GLU 319.A N THR 315.A O no hydrogen 2.932 N/A LEU 320.A N GLU 316.A O no hydrogen 3.011 N/A LEU 321.A N ILE 317.A O no hydrogen 3.319 N/A VAL 323.A N LEU 321.A O no hydrogen 2.941 N/A LYS 327.A N VAL 302.A O no hydrogen 2.858 N/A ASP 329.A N LEU 304.A O no hydrogen 2.811 N/A TRP 331.A N ILE 306.A O no hydrogen 2.963 N/A ILE 333.A N TRP 308.A O no hydrogen 3.297 N/A