Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3jsa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A N GLY 31.A O no hydrogen 2.905 N/A LYS 1.A NZ SER 317.A O no hydrogen 2.716 N/A ILE 3.A N LYS 33.A O no hydrogen 2.850 N/A ASN 4.A N ASP 84.A OD2 no hydrogen 2.724 N/A LEU 5.A N ASN 35.A O no hydrogen 2.743 N/A SER 6.A N ILE 85.A O no hydrogen 3.007 N/A ILE 7.A N PHE 38.A O no hydrogen 2.814 N/A PHE 8.A N VAL 87.A O no hydrogen 2.921 N/A GLY 9.A N ALA 40.A O no hydrogen 2.817 N/A LEU 15.A N GLY 11.A O no hydrogen 2.906 N/A ASN 16.A ND2 ASN 12.A O no hydrogen 2.726 N/A LEU 17.A N VAL 13.A O no hydrogen 2.806 N/A LEU 18.A N GLY 14.A O no hydrogen 3.016 N/A ARG 19.A N LEU 15.A O no hydrogen 3.163 N/A ARG 19.A NH1 ASN 16.A OD1 no hydrogen 3.033 N/A ARG 19.A NH2 GLU 61.A OE2 no hydrogen 2.720 N/A ILE 20.A N ASN 16.A O no hydrogen 2.888 N/A ILE 21.A N LEU 17.A O no hydrogen 2.785 N/A ARG 22.A N LEU 18.A O no hydrogen 3.059 N/A SER 23.A N ARG 19.A O no hydrogen 3.165 N/A SER 23.A OG.A ARG 19.A O no hydrogen 3.524 N/A PHE 24.A N ILE 20.A O no hydrogen 2.808 N/A ASN 25.A N ILE 21.A O no hydrogen 2.817 N/A ASN 25.A ND2 PHE 34.A O no hydrogen 2.719 N/A GLU 26.A N ARG 22.A O no hydrogen 3.232 N/A GLU 27.A N SER 23.A O no hydrogen 2.940 N/A GLU 27.A N PHE 24.A O no hydrogen 3.213 N/A ASN 28.A N PHE 24.A O no hydrogen 2.945 N/A ASN 28.A ND2 PHE 24.A O no hydrogen 3.010 N/A ASN 28.A ND2 LEU 32.A O no hydrogen 2.840 N/A LEU 30.A N ASN 28.A OD1 no hydrogen 2.835 N/A LEU 32.A N ASN 28.A OD1 no hydrogen 3.402 N/A LYS 33.A N LYS 1.A O no hydrogen 2.890 N/A PHE 34.A N ASN 25.A OD1 no hydrogen 2.794 N/A ASN 35.A N ILE 3.A O no hydrogen 2.896 N/A ASN 35.A ND2 ASN 4.A OD1 no hydrogen 2.936 N/A ASN 35.A ND2 GLU 49.A O no hydrogen 3.068 N/A VAL 37.A N LEU 5.A O no hydrogen 2.842 N/A VAL 39.A N TYR 46.A O no hydrogen 2.994 N/A ALA 40.A N ILE 7.A O no hydrogen 3.006 N/A ASP 41.A N HIS 44.A O no hydrogen 2.822 N/A LEU 43.A N ASP 41.A OD1 no hydrogen 2.801 N/A HIS 44.A N ASP 41.A OD1 no hydrogen 2.803 N/A TYR 46.A N VAL 39.A O no hydrogen 2.858 N/A TYR 46.A OH LEU 65.A O no hydrogen 2.489 N/A TYR 47.A N GLU 71.A O no hydrogen 2.801 N/A ASN 48.A N VAL 37.A O no hydrogen 2.764 N/A ARG 50.A N ASN 48.A OD1 no hydrogen 2.968 N/A ILE 51.A N VAL 36.A O no hydrogen 2.927 N/A ASP 52.A N TYR 70.A OH no hydrogen 3.055 N/A LYS 55.A N ASP 52.A OD1 no hydrogen 3.020 N/A LYS 55.A NZ GLU 69.A OE2.A no hydrogen 3.313 N/A VAL 56.A N ASP 52.A O no hydrogen 3.045 N/A ILE 57.A N ILE 53.A O no hydrogen 2.909 N/A SER 58.A N GLY 54.A O no hydrogen 2.910 N/A TYR 59.A N LYS 55.A O no hydrogen 2.858 N/A LYS 60.A N VAL 56.A O no hydrogen 2.850 N/A LYS 60.A NZ ASP 41.A OD2 no hydrogen 2.472 N/A GLU 61.A N ILE 57.A O no hydrogen 2.894 N/A LYS 62.A N SER 58.A O no hydrogen 3.144 N/A LYS 62.A NZ SER 58.A OG no hydrogen 3.407 N/A GLY 63.A N LYS 60.A O no hydrogen 3.056 N/A SER 64.A OG SER 64.A O no hydrogen 2.616 N/A SER 67.A N SER 64.A O no hydrogen 2.985 N/A SER 67.A OG SER 64.A O no hydrogen 3.185 N/A LEU 68.A N LEU 65.A O no hydrogen 3.036 N/A GLU 69.A N GLU 69.A OE1.A no hydrogen 2.602 N/A ILE 73.A N SER 45.A O no hydrogen 3.218 N/A SER 76.A OG GLU 105.A OE1 no hydrogen 2.995 N/A SER 76.A OG GLU 105.A OE2 no hydrogen 3.034 N/A GLU 77.A N SER 74.A OG no hydrogen 3.305 N/A ALA 78.A N SER 74.A O no hydrogen 2.846 N/A LEU 79.A N ALA 75.A O no hydrogen 2.978 N/A ALA 80.A N GLU 77.A O no hydrogen 2.975 N/A ARG 81.A N GLU 77.A O no hydrogen 3.254 N/A ARG 81.A N ALA 78.A O no hydrogen 3.104 N/A ARG 81.A NH1 GLU 71.A OE1 no hydrogen 3.062 N/A ARG 81.A NH2 GLU 71.A OE1 no hydrogen 3.263 N/A ARG 81.A NH2 GLU 77.A OE2 no hydrogen 2.805 N/A ASP 84.A N ASN 4.A O no hydrogen 2.819 N/A ILE 85.A N ASN 4.A O no hydrogen 3.148 N/A VAL 86.A N ASP 112.A O no hydrogen 2.889 N/A VAL 87.A N SER 6.A O no hydrogen 2.879 N/A ASP 88.A N VAL 114.A O no hydrogen 2.867 N/A ALA 89.A N PHE 8.A O no hydrogen 2.801 N/A THR 90.A N ASP 88.A OD1 no hydrogen 2.898 N/A THR 90.A OG1 ASP 88.A OD1 no hydrogen 2.590 N/A SER 93.A N GLU 99.A OE2 no hydrogen 2.907 N/A SER 93.A OG GLU 99.A OE1 no hydrogen 2.610 N/A SER 93.A OG GLU 99.A OE2 no hydrogen 3.455 N/A GLY 96.A N SER 93.A OG no hydrogen 2.897 N/A LYS 97.A N ASP 95.A OD1 no hydrogen 3.060 N/A LYS 98.A NZ PRO 91.A O no hydrogen 3.228 N/A GLU 99.A N GLU 99.A OE1 no hydrogen 2.820 N/A LEU 100.A N GLY 96.A O no hydrogen 2.968 N/A ALA 101.A N LYS 97.A O no hydrogen 2.924 N/A PHE 102.A N LYS 98.A O no hydrogen 3.001 N/A TYR 103.A N GLU 99.A O no hydrogen 2.963 N/A TYR 103.A OH ASP 88.A OD2 no hydrogen 2.719 N/A LYS 104.A N LEU 100.A O no hydrogen 2.955 N/A LYS 104.A NZ GLU 108.A OE2 no hydrogen 2.851 N/A GLU 105.A N ALA 101.A O no hydrogen 3.076 N/A THR 106.A N PHE 102.A O no hydrogen 2.957 N/A THR 106.A OG1 PHE 102.A O no hydrogen 2.920 N/A PHE 107.A N TYR 103.A O no hydrogen 2.874 N/A GLU 108.A N LYS 104.A O no hydrogen 3.053 N/A ASN 109.A N GLU 105.A O no hydrogen 3.067 N/A ASN 109.A ND2 GLU 105.A O no hydrogen 2.892 N/A GLY 110.A N PHE 107.A O no hydrogen 2.868 N/A LYS 111.A N THR 106.A O no hydrogen 3.090 N/A LYS 111.A NZ LEU 79.A O no hydrogen 2.767 N/A LYS 111.A NZ ARG 81.A O no hydrogen 2.873 N/A LYS 111.A NZ ASN 109.A O no hydrogen 2.928 N/A ASP 112.A N ASP 84.A O no hydrogen 3.058 N/A VAL 113.A N ARG 137.A O no hydrogen 2.996 N/A VAL 114.A N VAL 86.A O no hydrogen 2.894 N/A THR 115.A N ARG 139.A O no hydrogen 2.998 N/A THR 115.A OG1 ASP 88.A O no hydrogen 3.512 N/A THR 115.A OG1 TYR 103.A OH no hydrogen 3.053 N/A THR 115.A OG1 ASN 117.A O no hydrogen 2.889 N/A ALA 116.A N ASP 88.A O no hydrogen 2.876 N/A ASN 117.A N THR 115.A OG1 no hydrogen 2.837 N/A ASN 117.A ND2 THR 90.A OG1 no hydrogen 3.290 N/A ASN 117.A ND2 PRO 91.A O no hydrogen 3.225 N/A ASN 117.A ND2 GLU 99.A OE2 no hydrogen 2.954 N/A LYS 118.A NZ ASP 210.A OD1 no hydrogen 3.430 N/A SER 119.A N ASN 117.A OD1 no hydrogen 2.866 N/A SER 119.A OG SER 93.A O no hydrogen 2.622 N/A ALA 122.A N LYS 118.A O no hydrogen 2.932 N/A ASN 123.A N SER 119.A O no hydrogen 3.310 N/A ASN 123.A ND2 SER 119.A O no hydrogen 2.868 N/A PHE 124.A N GLY 120.A O no hydrogen 2.725 N/A GLU 127.A N GLU 127.A OE1 no hydrogen 2.799 N/A ILE 128.A N PHE 124.A O no hydrogen 2.971 N/A TYR 130.A N GLU 127.A O no hydrogen 2.954 N/A ALA 131.A N ILE 128.A O no hydrogen 2.866 N/A ARG 132.A NE.A GLU 129.A OE1 no hydrogen 2.914 N/A ARG 132.A NE.B GLU 129.A OE1 no hydrogen 3.391 N/A ARG 132.A NH2.A GLU 129.A OE2 no hydrogen 2.704 N/A ARG 132.A NH2.B GLU 129.A OE1 no hydrogen 3.259 N/A SER 133.A N GLU 129.A O no hydrogen 2.841 N/A ASN 134.A N TYR 130.A O no hydrogen 3.189 N/A ASN 134.A ND2 TYR 130.A O no hydrogen 2.843 N/A ASN 135.A N ARG 132.A O no hydrogen 3.045 N/A ARG 136.A N ALA 131.A O no hydrogen 2.770 N/A ARG 137.A N ASP 112.A OD1 no hydrogen 2.747 N/A ARG 137.A NH1 LEU 316.A O no hydrogen 3.399 N/A ARG 137.A NH2 ASP 112.A OD2 no hydrogen 3.183 N/A ARG 137.A NH2 LEU 316.A O no hydrogen 3.360 N/A ARG 139.A N VAL 113.A O no hydrogen 2.963 N/A ARG 139.A NE ASP 312.A OD1 no hydrogen 2.945 N/A ARG 139.A NH2 ASP 155.A OD2 no hydrogen 3.145 N/A TYR 140.A OH HIS 221.A ND1 no hydrogen 2.514 N/A GLU 141.A N ASP 312.A OD2 no hydrogen 2.786 N/A THR 143.A N TYR 140.A O no hydrogen 3.043 N/A THR 143.A OG1 TYR 140.A O no hydrogen 2.697 N/A VAL 148.A N ALA 145.A O no hydrogen 2.939 N/A LEU 150.A N GLU 141.A OE2 no hydrogen 2.840 N/A PHE 151.A N GLU 141.A OE2 no hydrogen 2.998 N/A SER 152.A N GLU 141.A OE1 no hydrogen 2.762 N/A SER 152.A OG GLU 141.A OE1 no hydrogen 3.370 N/A ILE 154.A N LEU 150.A O no hydrogen 2.916 N/A ASP 155.A N PHE 151.A O no hydrogen 2.869 N/A TYR 156.A N SER 152.A O no hydrogen 2.960 N/A SER 157.A N PHE 153.A O no hydrogen 2.898 N/A SER 161.A N VAL 158.A O no hydrogen 3.209 N/A ARG 162.A N ASP 289.A OD1 no hydrogen 2.891 N/A ILE 163.A N ASP 289.A OD2 no hydrogen 3.229 N/A LYS 164.A NZ SER 161.A O no hydrogen 2.873 N/A LYS 165.A N GLN 287.A O no hydrogen 2.833 N/A PHE 166.A N THR 252.A O no hydrogen 2.914 N/A ARG 167.A N GLN 285.A O no hydrogen 3.009 N/A ARG 167.A NH1 ASP 272.A OD1 no hydrogen 3.047 N/A ARG 167.A NH2 ASP 272.A OD1 no hydrogen 3.244 N/A ARG 167.A NH2 ASP 272.A OD2 no hydrogen 2.573 N/A GLY 168.A N THR 250.A O no hydrogen 2.963 N/A ILE 169.A N GLY 283.A O no hydrogen 3.039 N/A SER 171.A OG ASP 210.A OD2 no hydrogen 2.581 N/A ASN 175.A ND2 SER 171.A O no hydrogen 2.970 N/A ASN 175.A ND2 LEU 248.A O no hydrogen 3.110 N/A TYR 176.A N LEU 172.A O no hydrogen 2.733 N/A PHE 177.A N THR 173.A O no hydrogen 3.003 N/A ILE 178.A N ILE 174.A O no hydrogen 2.895 N/A ARG 179.A N ASN 175.A O no hydrogen 3.053 N/A ARG 179.A NH1 LEU 277.A O no hydrogen 2.826 N/A ARG 179.A NH2 LEU 277.A O no hydrogen 3.335 N/A GLU 180.A N TYR 176.A O no hydrogen 2.905 N/A LEU 181.A N PHE 177.A O no hydrogen 2.975 N/A ALA 182.A N ILE 178.A O no hydrogen 2.797 N/A ASN 183.A N ARG 179.A O no hydrogen 3.193 N/A ASN 183.A N GLU 180.A O no hydrogen 2.980 N/A LYS 184.A N LEU 181.A O no hydrogen 3.023 N/A ARG 185.A NH1 GLU 180.A OE1 no hydrogen 3.001 N/A ARG 185.A NH2 GLU 193.A OE1 no hydrogen 2.651 N/A VAL 190.A N GLU 186.A O no hydrogen 3.048 N/A LEU 191.A N PHE 187.A O no hydrogen 2.907 N/A SER 192.A N ASP 188.A O no hydrogen 2.972 N/A GLU 193.A N ASP 189.A O no hydrogen 3.131 N/A ALA 194.A N VAL 190.A O no hydrogen 2.903 N/A THR 195.A N LEU 191.A O no hydrogen 2.915 N/A THR 195.A OG1 LEU 191.A O no hydrogen 2.825 N/A LYS 196.A N SER 192.A O no hydrogen 3.218 N/A LEU 197.A N GLU 193.A O no hydrogen 2.925 N/A GLY 198.A N THR 195.A O no hydrogen 3.028 N/A ILE 199.A N ALA 194.A O no hydrogen 2.773 N/A LEU 206.A N TYR 202.A O no hydrogen 3.103 N/A THR 207.A N LYS 203.A O no hydrogen 3.069 N/A THR 207.A OG1 LYS 203.A O no hydrogen 3.129 N/A GLY 208.A N ASP 205.A O no hydrogen 3.183 N/A ASP 210.A N ASP 204.A O no hydrogen 2.922 N/A ALA 212.A N GLY 208.A O no hydrogen 2.989 N/A ARG 213.A N LEU 209.A O no hydrogen 2.971 N/A ARG 213.A NH1 ASP 204.A OD2 no hydrogen 3.062 N/A LYS 214.A N ASP 210.A O no hydrogen 3.233 N/A LYS 214.A NZ VAL 170.A O no hydrogen 3.007 N/A LYS 214.A NZ ASP 210.A OD1 no hydrogen 3.402 N/A LYS 214.A NZ ASP 210.A OD2 no hydrogen 2.830 N/A SER 215.A N ALA 211.A O no hydrogen 2.903 N/A SER 215.A OG ALA 212.A O no hydrogen 2.719 N/A VAL 216.A N ALA 212.A O no hydrogen 3.102 N/A LEU 218.A N LYS 214.A O no hydrogen 2.930 N/A CYS 219.A N SER 215.A O no hydrogen 2.934 N/A CYS 219.A SG SER 225.A OG no hydrogen 3.644 N/A ASN 220.A N VAL 216.A O no hydrogen 2.969 N/A ASN 220.A ND2 TYR 227.A O no hydrogen 3.044 N/A HIS 221.A N ILE 217.A O no hydrogen 2.958 N/A HIS 221.A ND1 TYR 140.A OH no hydrogen 2.514 N/A HIS 221.A NE2 ASP 155.A OD1 no hydrogen 2.819 N/A LEU 222.A N LEU 218.A O no hydrogen 2.892 N/A TYR 223.A N CYS 219.A O no hydrogen 2.869 N/A TYR 223.A OH LYS 164.A O no hydrogen 2.767 N/A GLY 224.A N ASN 220.A O no hydrogen 2.937 N/A SER 225.A OG ASN 220.A OD1 no hydrogen 2.761 N/A TYR 227.A N ASN 220.A OD1 no hydrogen 2.825 N/A TYR 227.A OH PRO 259.A O no hydrogen 2.639 N/A ARG 228.A N ASP 231.A OD2 no hydrogen 2.766 N/A ARG 228.A NH1 ASN 123.A O no hydrogen 3.048 N/A ARG 228.A NH1 GLU 127.A OE1 no hydrogen 3.005 N/A ARG 228.A NH1 GLU 127.A OE2 no hydrogen 3.411 N/A ARG 228.A NH2 GLU 127.A OE2 no hydrogen 2.940 N/A ASP 231.A N ARG 228.A O no hydrogen 2.925 N/A VAL 232.A N LEU 229.A O no hydrogen 3.153 N/A PHE 233.A N ALA 261.A O no hydrogen 3.109 N/A ILE 237.A N LEU 206.A O no hydrogen 2.921 N/A ARG 240.A NH1 GLU 246.A OE1 no hydrogen 2.881 N/A ARG 240.A NH2 SER 241.A O no hydrogen 2.947 N/A ARG 240.A NH2 GLU 246.A OE1 no hydrogen 3.204 N/A ARG 240.A NH2 GLU 246.A OE2 no hydrogen 2.722 N/A GLY 243.A N GLU 246.A OE2 no hydrogen 2.875 N/A GLU 246.A N GLY 243.A O no hydrogen 3.382 N/A ARG 247.A N LYS 266.A O no hydrogen 3.042 N/A ARG 247.A NH1 LYS 244.A O no hydrogen 3.102 N/A ARG 247.A NH1 GLU 246.A O no hydrogen 2.907 N/A LEU 248.A N ASN 175.A OD1 no hydrogen 2.756 N/A VAL 249.A N ARG 264.A O no hydrogen 2.920 N/A THR 250.A N GLY 168.A O no hydrogen 2.878 N/A THR 250.A OG1 SER 263.A OG no hydrogen 2.821 N/A GLU 251.A N GLU 262.A O no hydrogen 2.733 N/A THR 252.A N PHE 166.A O no hydrogen 2.982 N/A GLY 253.A N SER 260.A O no hydrogen 3.083 N/A VAL 255.A N LYS 258.A O no hydrogen 2.919 N/A LYS 258.A N VAL 255.A O no hydrogen 3.157 N/A LYS 258.A NZ TYR 227.A OH no hydrogen 3.224 N/A SER 260.A N GLY 253.A O no hydrogen 2.796 N/A GLU 262.A N GLU 251.A O no hydrogen 2.792 N/A SER 263.A N PHE 233.A O no hydrogen 3.002 N/A SER 263.A OG THR 250.A OG1 no hydrogen 2.821 N/A ARG 264.A N VAL 249.A O no hydrogen 3.076 N/A ARG 264.A NE GLU 262.A OE1 no hydrogen 2.737 N/A ARG 264.A NH2 GLU 262.A OE1 no hydrogen 3.343 N/A ARG 264.A NH2 GLU 262.A OE2 no hydrogen 3.231 N/A ILE 265.A N GLU 235.A OE2 no hydrogen 2.797 N/A LYS 266.A N ARG 247.A O no hydrogen 2.883 N/A LYS 266.A NZ GLU 251.A OE2 no hydrogen 3.291 N/A LEU 268.A N ASN 245.A O no hydrogen 2.720 N/A ASP 272.A N ASP 269.A O no hydrogen 2.932 N/A LEU 274.A N ASP 272.A OD1 no hydrogen 2.862 N/A LEU 275.A N ASP 272.A O no hydrogen 2.985 N/A THR 276.A N TYR 273.A O no hydrogen 2.879 N/A THR 276.A OG1 TYR 273.A O no hydrogen 2.600 N/A LEU 277.A N LEU 274.A O no hydrogen 3.446 N/A SER 281.A N GLY 278.A O no hydrogen 3.031 N/A SER 281.A OG ASP 298.A O no hydrogen 2.708 N/A SER 281.A OG ASP 298.A OD1 no hydrogen 3.535 N/A LEU 282.A N ASP 298.A OD1 no hydrogen 2.996 N/A GLY 283.A N ILE 169.A O no hydrogen 3.315 N/A TYR 284.A N VAL 296.A O no hydrogen 2.844 N/A TYR 284.A OH PRO 149.A O no hydrogen 2.795 N/A GLN 285.A N ARG 167.A O no hydrogen 2.728 N/A LEU 286.A N LEU 294.A O no hydrogen 2.842 N/A GLN 287.A N LYS 165.A O no hydrogen 2.747 N/A THR 288.A N GLY 292.A O no hydrogen 2.882 N/A THR 288.A OG1 SER 161.A OG no hydrogen 3.154 N/A THR 288.A OG1 GLY 292.A O no hydrogen 2.655 N/A ASP 289.A N ILE 163.A O no hydrogen 3.232 N/A THR 290.A N SER 161.A OG no hydrogen 3.096 N/A THR 290.A OG1 ASP 289.A OD1 no hydrogen 2.890 N/A ASN 291.A N THR 288.A OG1 no hydrogen 2.915 N/A ASN 291.A ND2 SER 161.A OG no hydrogen 2.653 N/A LEU 294.A N LEU 286.A O no hydrogen 2.952 N/A ASN 295.A ND2 GLN 285.A OE1 no hydrogen 2.786 N/A VAL 296.A N TYR 284.A O no hydrogen 3.014 N/A SER 297.A OG TYR 273.A OH no hydrogen 3.186 N/A SER 297.A OG ASP 298.A O no hydrogen 3.427 N/A ASP 298.A N LEU 282.A O no hydrogen 3.228 N/A ASP 301.A N GLY 280.A O no hydrogen 2.707 N/A THR 306.A N GLY 302.A O no hydrogen 3.075 N/A THR 306.A OG1 GLY 302.A O no hydrogen 3.010 N/A ALA 307.A N PRO 303.A O no hydrogen 2.825 N/A GLY 308.A N TYR 304.A O no hydrogen 2.900 N/A ALA 309.A N GLU 305.A O no hydrogen 3.003 N/A VAL 310.A N THR 306.A O no hydrogen 3.161 N/A ASP 312.A N ALA 309.A O no hydrogen 3.110 N/A LEU 313.A N VAL 310.A O no hydrogen 2.988 N/A ILE 315.A N ASN 311.A O no hydrogen 2.900 N/A LEU 316.A N ASP 312.A O no hydrogen 2.952 N/A SER 317.A N LEU 313.A O no hydrogen 3.155 N/A SER 317.A N VAL 314.A O no hydrogen 3.055 N/A SER 317.A OG LEU 313.A O no hydrogen 2.889 N/A