Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3isc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N GLN 2.A O no hydrogen 2.827 N/A ASN 6.A ND2 HIS 45.A O no hydrogen 2.778 N/A THR 10.A N ASN 6.A O no hydrogen 2.958 N/A THR 10.A OG1 ASN 6.A O no hydrogen 3.205 N/A THR 10.A OG1 GLY 7.A O no hydrogen 3.193 N/A ASP 11.A N GLY 7.A O no hydrogen 2.793 N/A MET 12.A N GLY 8.A O no hydrogen 3.029 N/A LEU 13.A N ILE 9.A O no hydrogen 2.934 N/A THR 14.A N THR 10.A O no hydrogen 2.918 N/A THR 14.A OG1 THR 10.A O no hydrogen 2.996 N/A GLU 15.A N ASP 11.A O no hydrogen 2.913 N/A LEU 16.A N MET 12.A O no hydrogen 3.002 N/A ALA 17.A N LEU 13.A O no hydrogen 2.813 N/A ASN 18.A N THR 14.A O no hydrogen 3.012 N/A PHE 19.A N GLU 15.A O no hydrogen 3.222 N/A GLU 20.A N LEU 16.A O no hydrogen 3.100 N/A LYS 21.A N ALA 17.A O no hydrogen 3.131 N/A LYS 21.A NZ ASN 22.A OD1 no hydrogen 2.895 N/A ASN 22.A N ASN 18.A O no hydrogen 2.800 N/A ASN 22.A ND2 ASN 92.A OD1 no hydrogen 2.778 N/A VAL 23.A N PHE 19.A O no hydrogen 2.921 N/A SER 24.A N PHE 19.A O no hydrogen 2.958 N/A ALA 26.A N GLU 20.A O no hydrogen 2.805 N/A LYS 29.A N ALA 26.A O no hydrogen 2.997 N/A TYR 30.A N ALA 26.A O no hydrogen 3.011 N/A ASN 31.A N ILE 27.A O no hydrogen 2.989 N/A ALA 32.A N HIS 28.A O no hydrogen 2.999 N/A TYR 33.A N LYS 29.A O no hydrogen 2.957 N/A ARG 34.A N TYR 30.A O no hydrogen 3.065 N/A ARG 34.A NH1 ASN 31.A OD1 no hydrogen 3.291 N/A LYS 35.A N ASN 31.A O no hydrogen 2.875 N/A ALA 36.A N ALA 32.A O no hydrogen 3.002 N/A ALA 37.A N TYR 33.A O no hydrogen 2.917 N/A SER 38.A N ARG 34.A O no hydrogen 2.898 N/A SER 38.A OG ARG 34.A O no hydrogen 3.032 N/A VAL 39.A N LYS 35.A O no hydrogen 3.028 N/A ILE 40.A N ALA 36.A O no hydrogen 3.097 N/A ALA 41.A N ALA 37.A O no hydrogen 2.807 N/A LYS 42.A N SER 38.A O no hydrogen 3.208 N/A TYR 43.A N ILE 40.A O no hydrogen 3.025 N/A TYR 43.A OH GLU 52.A OE2 no hydrogen 2.826 N/A ILE 47.A N ASN 6.A OD1 no hydrogen 2.857 N/A LYS 48.A N GLU 52.A OE1 no hydrogen 2.843 N/A GLY 50.A N ASP 68.A OD1 no hydrogen 2.891 N/A GLU 52.A N SER 49.A OG no hydrogen 3.203 N/A ALA 53.A N SER 49.A O no hydrogen 3.312 N/A LYS 54.A N GLY 50.A O no hydrogen 2.838 N/A LYS 55.A N GLU 52.A O no hydrogen 3.291 N/A LEU 56.A N ALA 53.A O no hydrogen 2.951 N/A VAL 59.A N LEU 56.A O no hydrogen 3.110 N/A ALA 64.A N GLY 60.A O no hydrogen 3.064 N/A GLU 65.A N.A THR 61.A O no hydrogen 3.022 N/A GLU 65.A N.B THR 61.A O no hydrogen 3.021 N/A LYS 66.A N LYS 62.A O no hydrogen 2.980 N/A ILE 67.A N ILE 63.A O no hydrogen 2.855 N/A ASP 68.A N ALA 64.A O no hydrogen 3.002 N/A GLU 69.A N GLU 65.A O.A no hydrogen 3.065 N/A GLU 69.A N GLU 65.A O.B no hydrogen 3.092 N/A PHE 70.A N LYS 66.A O no hydrogen 2.932 N/A LEU 71.A N ILE 67.A O no hydrogen 2.876 N/A ALA 72.A N ASP 68.A O no hydrogen 3.036 N/A THR 73.A N GLU 69.A O no hydrogen 2.854 N/A THR 73.A OG1 GLU 69.A O no hydrogen 2.766 N/A GLY 74.A N PHE 70.A O no hydrogen 2.610 N/A ARG 77.A N GLU 69.A OE2 no hydrogen 2.747 N/A GLU 80.A N LEU 76.A O no hydrogen 2.920 N/A LYS 81.A N ARG 77.A O no hydrogen 2.980 N/A ILE 82.A N LYS 78.A O no hydrogen 3.018 N/A ARG 83.A N LEU 79.A O no hydrogen 2.875 N/A ARG 83.A NE GLU 15.A OE1 no hydrogen 3.091 N/A ARG 83.A NE GLU 15.A OE2 no hydrogen 2.640 N/A ARG 83.A NH2 GLU 15.A OE1 no hydrogen 2.792 N/A GLN 84.A N.A GLU 80.A O no hydrogen 3.244 N/A GLN 84.A N.B GLU 80.A O no hydrogen 3.235 N/A GLN 84.A N.B LYS 81.A O no hydrogen 3.099 N/A ASP 85.A N ILE 82.A O no hydrogen 2.986 N/A SER 88.A N ASP 85.A OD2 no hydrogen 2.792 N/A SER 88.A OG ASP 85.A OD2 no hydrogen 3.141 N/A SER 89.A N ASP 85.A O no hydrogen 2.914 N/A SER 89.A OG ASP 85.A O no hydrogen 2.715 N/A SER 89.A OG ASP 86.A O no hydrogen 3.241 N/A SER 90.A N ASP 86.A O no hydrogen 3.221 N/A SER 90.A OG ASP 86.A O no hydrogen 2.914 N/A ILE 91.A N THR 87.A O no hydrogen 2.977 N/A ASN 92.A N SER 88.A O no hydrogen 2.940 N/A PHE 93.A N SER 89.A O no hydrogen 2.994 N/A LEU 94.A N SER 90.A O no hydrogen 2.946 N/A THR 95.A N ILE 91.A O no hydrogen 3.410 N/A THR 95.A OG1 ASN 92.A O no hydrogen 2.801 N/A ARG 96.A N PHE 93.A O no hydrogen 2.924 N/A ARG 96.A NE GLU 141.A OE2 no hydrogen 3.003 N/A ARG 96.A NH2 GLU 141.A OE1 no hydrogen 2.878 N/A ARG 96.A NH2 GLU 141.A OE2 no hydrogen 3.498 N/A VAL 97.A N LEU 94.A O no hydrogen 3.029 N/A SER 98.A OG HIS 129.A NE2 no hydrogen 2.760 N/A ILE 100.A N VAL 97.A O no hydrogen 2.971 N/A ALA 105.A N GLY 101.A O no hydrogen 2.967 N/A ARG 106.A N PRO 102.A O no hydrogen 3.058 N/A LYS 107.A N SER 103.A O no hydrogen 2.991 N/A PHE 108.A N ALA 104.A O no hydrogen 2.839 N/A VAL 109.A N ALA 105.A O no hydrogen 2.939 N/A ASP 110.A N ARG 106.A O no hydrogen 2.892 N/A GLU 111.A N LYS 107.A O no hydrogen 3.181 N/A GLU 111.A N PHE 108.A O no hydrogen 2.932 N/A GLY 112.A N VAL 109.A O no hydrogen 3.056 N/A ILE 113.A N PHE 108.A O no hydrogen 2.960 N/A LYS 114.A N ASP 118.A OD2 no hydrogen 2.896 N/A LYS 114.A NZ ASP 86.A OD2 no hydrogen 2.579 N/A THR 115.A N ASP 118.A OD2 no hydrogen 2.980 N/A THR 115.A OG1 GLU 117.A OE1 no hydrogen 3.229 N/A ASP 118.A N THR 115.A OG1 no hydrogen 3.037 N/A LEU 119.A N THR 115.A O no hydrogen 2.895 N/A ARG 120.A N LEU 116.A O no hydrogen 2.757 N/A LYS 121.A N GLU 117.A O no hydrogen 3.167 N/A LYS 121.A N ASP 118.A O no hydrogen 3.140 N/A ASN 122.A N LEU 119.A O no hydrogen 2.907 N/A ASN 122.A ND2 ASP 118.A O no hydrogen 2.848 N/A LYS 125.A N ASN 122.A O no hydrogen 3.066 N/A LYS 125.A NZ GLU 111.A OE2 no hydrogen 2.864 N/A LEU 126.A N GLU 123.A O no hydrogen 2.913 N/A ASN 127.A N GLN 130.A OE1 no hydrogen 2.921 N/A HIS 129.A NE2 SER 98.A OG no hydrogen 2.760 N/A GLN 130.A N ASN 127.A OD1 no hydrogen 2.786 N/A GLN 130.A NE2 GLY 99.A O no hydrogen 3.123 N/A ARG 131.A N ASN 127.A O no hydrogen 2.972 N/A ARG 131.A NE GLU 123.A O no hydrogen 3.199 N/A ARG 131.A NE LEU 126.A O no hydrogen 2.859 N/A ARG 131.A NH2 GLU 123.A O no hydrogen 3.067 N/A ARG 131.A NH2 LEU 126.A O no hydrogen 3.311 N/A ILE 132.A N HIS 128.A O no hydrogen 3.141 N/A GLY 133.A N HIS 129.A O no hydrogen 2.852 N/A LEU 134.A N GLN 130.A O no hydrogen 2.868 N/A LYS 135.A N ARG 131.A O no hydrogen 2.925 N/A LYS 135.A NZ TYR 136.A OH no hydrogen 3.137 N/A TYR 136.A N ILE 132.A O no hydrogen 3.014 N/A TYR 136.A OH ASP 218.A OD2 no hydrogen 2.591 N/A PHE 137.A N LEU 134.A O no hydrogen 3.051 N/A PHE 140.A N TYR 136.A O no hydrogen 2.841 N/A GLU 141.A N GLY 138.A O no hydrogen 3.070 N/A LYS 142.A N ASP 139.A O no hydrogen 3.012 N/A ARG 143.A NE SER 181.A OG no hydrogen 2.804 N/A ARG 143.A NH2 SER 181.A OG no hydrogen 3.362 N/A ILE 144.A N SER 182.A O no hydrogen 2.648 N/A ARG 146.A N GLU 180.A O.A no hydrogen 2.920 N/A ARG 146.A N GLU 180.A O.B no hydrogen 2.858 N/A ARG 146.A NH1 PHE 175.A O no hydrogen 2.912 N/A ARG 146.A NH1 ALA 179.A O no hydrogen 2.911 N/A ARG 146.A NH2 PHE 175.A O no hydrogen 3.455 N/A GLU 148.A N PRO 145.A O no hydrogen 2.888 N/A MET 149.A N PRO 145.A O no hydrogen 3.095 N/A LEU 150.A N ARG 146.A O no hydrogen 2.842 N/A GLN 151.A N GLU 147.A O no hydrogen 3.151 N/A GLN 151.A NE2 GLU 147.A OE2 no hydrogen 3.453 N/A MET 152.A N GLU 148.A O no hydrogen 2.816 N/A GLN 153.A N MET 149.A O no hydrogen 2.800 N/A ASP 154.A N LEU 150.A O no hydrogen 2.938 N/A ILE 155.A N GLN 151.A O no hydrogen 3.312 N/A VAL 156.A N MET 152.A O no hydrogen 3.003 N/A LEU 157.A N GLN 153.A O no hydrogen 2.822 N/A ASN 158.A N ASP 154.A O no hydrogen 3.008 N/A ASN 158.A ND2 GLU 159.A OE2 no hydrogen 3.294 N/A GLU 159.A N ILE 155.A O no hydrogen 2.940 N/A VAL 160.A N VAL 156.A O no hydrogen 3.005 N/A LYS 161.A N LEU 157.A O no hydrogen 3.052 N/A LYS 162.A N ASN 158.A O no hydrogen 2.997 N/A LYS 162.A NZ GLU 159.A OE1 no hydrogen 3.076 N/A LYS 162.A NZ GLU 159.A OE2 no hydrogen 3.435 N/A VAL 163.A N GLU 159.A O no hydrogen 2.997 N/A ASP 164.A N VAL 160.A O no hydrogen 3.151 N/A GLU 166.A N ASP 164.A OD1 no hydrogen 2.889 N/A TYR 167.A N ASP 164.A O no hydrogen 3.086 N/A TYR 167.A OH LEU 202.A O no hydrogen 2.509 N/A TYR 167.A OH GLN 205.A OE1.B no hydrogen 3.082 N/A ILE 168.A N THR 190.A O no hydrogen 2.966 N/A THR 170.A N LEU 188.A O no hydrogen 2.891 N/A THR 170.A OG1 TYR 257.A OH no hydrogen 2.782 N/A CYS 172.A N ASP 186.A O no hydrogen 2.875 N/A CYS 172.A SG THR 170.A O no hydrogen 3.718 N/A GLY 173.A N PHE 264.A O no hydrogen 2.887 N/A ARG 176.A N GLY 173.A O no hydrogen 3.003 N/A ARG 176.A NH1 THR 265.A OG1 no hydrogen 2.817 N/A ARG 176.A NH1 GLU 308.A OE1 no hydrogen 2.986 N/A ARG 176.A NH2 GLU 308.A OE2 no hydrogen 2.815 N/A ARG 177.A N SER 174.A O no hydrogen 2.777 N/A ARG 177.A NH1 THR 265.A O no hydrogen 2.637 N/A GLY 178.A N PHE 175.A O no hydrogen 2.879 N/A ALA 179.A N SER 174.A O no hydrogen 3.108 N/A SER 182.A N ILE 144.A O no hydrogen 2.882 N/A MET 185.A N ARG 246.A O no hydrogen 2.975 N/A VAL 187.A N ASP 248.A O no hydrogen 2.858 N/A LEU 188.A N THR 170.A O no hydrogen 2.895 N/A LEU 189.A N ARG 250.A O no hydrogen 2.732 N/A THR 190.A N ILE 168.A O no hydrogen 2.911 N/A THR 190.A OG1 ILE 252.A O no hydrogen 2.728 N/A HIS 191.A NE2 ASP 164.A OD2 no hydrogen 3.044 N/A SER 193.A N HIS 191.A ND1 no hydrogen 3.009 N/A SER 193.A OG HIS 191.A ND1 no hydrogen 2.898 N/A PHE 194.A N HIS 191.A O no hydrogen 2.846 N/A SER 196.A N ASP 255.A OD1 no hydrogen 2.812 N/A SER 196.A OG ASP 255.A OD1 no hydrogen 3.256 N/A SER 196.A OG ASP 255.A OD2 no hydrogen 2.591 N/A SER 196.A OG GLN 256.A OE1 no hydrogen 2.981 N/A GLU 197.A N THR 195.A OG1 no hydrogen 3.285 N/A SER 198.A N THR 195.A O no hydrogen 2.886 N/A SER 198.A OG SER 193.A O no hydrogen 3.181 N/A LEU 202.A N GLN 199.A O no hydrogen 3.099 N/A GLN 205.A N.A LYS 201.A O no hydrogen 3.122 N/A GLN 205.A N.B LYS 201.A O no hydrogen 3.112 N/A VAL 207.A N LEU 203.A O no hydrogen 3.062 N/A GLU 208.A N HIS 204.A O no hydrogen 2.799 N/A GLN 209.A N GLN 205.A O.A no hydrogen 3.167 N/A GLN 209.A N GLN 205.A O.B no hydrogen 3.110 N/A GLN 209.A NE2 GLU 159.A OE1 no hydrogen 2.821 N/A LEU 210.A N VAL 206.A O no hydrogen 3.035 N/A GLN 211.A N VAL 207.A O no hydrogen 2.957 N/A LYS 212.A N GLU 208.A O no hydrogen 2.892 N/A VAL 213.A N GLN 209.A O no hydrogen 3.147 N/A HIS 214.A N GLN 211.A O no hydrogen 2.917 N/A PHE 215.A N LEU 210.A O no hydrogen 2.920 N/A ILE 216.A N LEU 210.A O no hydrogen 3.216 N/A THR 217.A N VAL 230.A O no hydrogen 2.763 N/A THR 217.A OG1 ASP 218.A OD2 no hydrogen 2.710 N/A THR 217.A OG1 VAL 230.A O no hydrogen 3.430 N/A ASP 218.A N VAL 230.A O no hydrogen 3.409 N/A LEU 220.A N MET 228.A O no hydrogen 2.841 N/A SER 221.A N MET 228.A O no hydrogen 3.043 N/A LYS 222.A NZ HIS 204.A ND1 no hydrogen 2.869 N/A GLY 223.A N LYS 226.A O no hydrogen 2.912 N/A PHE 227.A N ILE 249.A O no hydrogen 2.741 N/A MET 228.A N SER 221.A O no hydrogen 2.934 N/A GLY 229.A N ILE 247.A O no hydrogen 2.826 N/A VAL 230.A N ASP 218.A O no hydrogen 2.951 N/A CYS 231.A N ARG 245.A O no hydrogen 2.777 N/A CYS 231.A SG ARG 245.A O no hydrogen 3.830 N/A GLN 232.A N PHE 215.A O no hydrogen 2.974 N/A GLN 232.A NE2 TYR 242.A O no hydrogen 2.609 N/A GLU 239.A N LYS 236.A O no hydrogen 2.681 N/A HIS 244.A N ASP 139.A OD2 no hydrogen 2.822 N/A ARG 245.A N CYS 231.A O no hydrogen 2.686 N/A ARG 245.A NH1 ARG 143.A O no hydrogen 2.988 N/A ARG 245.A NH2 GLU 148.A OE1 no hydrogen 2.815 N/A ARG 246.A NH1 GLY 229.A O no hydrogen 2.786 N/A ARG 246.A NH1 ILE 247.A O no hydrogen 3.198 N/A ARG 246.A NH1 ASP 248.A OD1 no hydrogen 2.928 N/A ARG 246.A NH2 ASP 248.A OD1 no hydrogen 2.761 N/A ARG 246.A NH2 ASP 248.A OD2 no hydrogen 3.515 N/A ILE 247.A N GLY 229.A O no hydrogen 3.081 N/A ASP 248.A N MET 185.A O no hydrogen 2.881 N/A ILE 249.A N PHE 227.A O no hydrogen 2.760 N/A ARG 250.A N VAL 187.A O no hydrogen 2.854 N/A ARG 250.A NE ASP 186.A OD1 no hydrogen 3.139 N/A ARG 250.A NH2 ASP 186.A OD1 no hydrogen 3.191 N/A ARG 250.A NH2 ASP 186.A OD2 no hydrogen 3.383 N/A LEU 251.A N THR 225.A O no hydrogen 2.719 N/A ILE 252.A N LEU 189.A O no hydrogen 2.828 N/A LYS 254.A N PHE 194.A O no hydrogen 2.740 N/A GLN 256.A N PRO 253.A O no hydrogen 2.888 N/A TYR 257.A N LYS 254.A O no hydrogen 3.185 N/A TYR 257.A OH THR 170.A OG1 no hydrogen 2.782 N/A TYR 257.A OH LEU 188.A O no hydrogen 2.834 N/A GLY 260.A N GLN 256.A O no hydrogen 3.164 N/A VAL 261.A N TYR 257.A O no hydrogen 2.855 N/A LEU 262.A N TYR 258.A O no hydrogen 2.881 N/A TYR 263.A N CYS 259.A O no hydrogen 3.006 N/A PHE 264.A N GLY 260.A O no hydrogen 2.846 N/A THR 265.A N LEU 262.A O no hydrogen 3.328 N/A THR 265.A OG1 VAL 261.A O no hydrogen 2.552 N/A GLY 266.A N LEU 262.A O no hydrogen 3.327 N/A GLY 266.A N TYR 263.A O no hydrogen 3.156 N/A SER 267.A N ARG 325.A O no hydrogen 3.009 N/A SER 267.A OG ARG 325.A O no hydrogen 3.099 N/A SER 267.A OG SER 326.A O no hydrogen 2.715 N/A PHE 270.A N SER 267.A OG no hydrogen 3.339 N/A ASN 271.A N SER 267.A O no hydrogen 2.911 N/A ASN 271.A ND2 TYR 263.A O no hydrogen 2.996 N/A LYS 272.A N ASP 268.A O no hydrogen 3.026 N/A ASN 273.A N ILE 269.A O no hydrogen 3.064 N/A ASN 273.A ND2 GLU 327.A O no hydrogen 2.738 N/A MET 274.A N PHE 270.A O no hydrogen 2.792 N/A ARG 275.A N ASN 271.A O no hydrogen 2.976 N/A ALA 276.A N LYS 272.A O no hydrogen 3.069 N/A HIS 277.A N ASN 273.A O no hydrogen 2.988 N/A HIS 277.A ND1 GLU 280.A OE2 no hydrogen 2.905 N/A HIS 277.A NE2 ILE 315.A O no hydrogen 2.942 N/A ALA 278.A N MET 274.A O no hydrogen 2.865 N/A LEU 279.A N ARG 275.A O no hydrogen 3.012 N/A GLU 280.A N ALA 276.A O no hydrogen 3.078 N/A LYS 281.A N ALA 278.A O no hydrogen 2.952 N/A GLY 282.A N LEU 279.A O no hydrogen 2.711 N/A PHE 283.A N ALA 278.A O no hydrogen 2.712 N/A THR 284.A N ARG 291.A O no hydrogen 2.912 N/A ASN 286.A N THR 289.A O no hydrogen 3.135 N/A TYR 288.A N ASN 286.A OD1 no hydrogen 2.814 N/A THR 289.A N ASN 286.A OD1 no hydrogen 2.825 N/A ARG 291.A N THR 284.A O no hydrogen 2.982 N/A LEU 293.A N GLY 282.A O no hydrogen 2.895 N/A GLY 294.A N VAL 298.A O no hydrogen 2.771 N/A GLY 297.A N GLY 294.A O no hydrogen 2.978 N/A GLY 300.A N PRO 292.A O no hydrogen 2.823 N/A LEU 303.A N ILE 290.A O no hydrogen 2.895 N/A ASP 306.A N ASP 310.A OD1 no hydrogen 2.741 N/A LYS 309.A NZ ASP 313.A OD1 no hydrogen 3.358 N/A ASP 310.A N SER 307.A O no hydrogen 3.144 N/A ASP 310.A N SER 307.A OG no hydrogen 3.216 N/A PHE 312.A N GLU 308.A O no hydrogen 3.310 N/A ASP 313.A N LYS 309.A O no hydrogen 2.757 N/A TYR 314.A N ASP 310.A O no hydrogen 3.077 N/A TYR 314.A OH PRO 304.A O no hydrogen 2.678 N/A GLN 316.A N ASP 313.A O no hydrogen 2.886 N/A TRP 317.A N PHE 312.A O no hydrogen 2.913 N/A TYR 319.A OH GLU 308.A OE2 no hydrogen 3.319 N/A ARG 320.A NE ASP 324.A O no hydrogen 2.708 N/A ASP 324.A N GLU 321.A O no hydrogen 2.810 N/A ARG 325.A N PRO 322.A O no hydrogen 3.076 N/A ARG 325.A NE ARG 320.A O no hydrogen 2.856 N/A ARG 325.A NH1 GLU 308.A OE1 no hydrogen 2.868 N/A ARG 325.A NH2 GLU 308.A OE2 no hydrogen 2.912 N/A ARG 325.A NH2 ARG 320.A O no hydrogen 2.919 N/A