Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bjc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 6.A N GLU 2.A O no hydrogen 2.884 N/A GLN 7.A N THR 3.A O no hydrogen 2.858 N/A SER 8.A N ARG 4.A O no hydrogen 3.132 N/A LEU 9.A N GLU 5.A O no hydrogen 2.990 N/A ALA 10.A N LEU 6.A O no hydrogen 2.771 N/A ALA 11.A N GLN 7.A O no hydrogen 3.115 N/A ALA 12.A N LEU 9.A O no hydrogen 3.419 N/A SER 16.A OG THR 19.A OG1 no hydrogen 3.132 N/A THR 19.A N SER 16.A OG no hydrogen 2.925 N/A THR 19.A OG1 SER 16.A OG no hydrogen 3.132 N/A LEU 20.A N SER 16.A O no hydrogen 3.028 N/A LYS 21.A N GLN 18.A O no hydrogen 3.104 N/A ASP 24.A N LYS 21.A O no hydrogen 3.172 N/A PHE 27.A N ASP 24.A O no hydrogen 3.173 N/A GLU 31.A N GLU 31.A OE1 no hydrogen 3.016 N/A LEU 32.A N ASP 29.A O no hydrogen 2.872 N/A SER 33.A N GLU 36.A OE1 no hydrogen 2.887 N/A SER 33.A OG GLU 36.A OE1 no hydrogen 3.457 N/A GLU 36.A N SER 33.A OG no hydrogen 3.297 N/A THR 37.A N SER 33.A O no hydrogen 3.106 N/A THR 37.A OG1 ASP 34.A O no hydrogen 2.639 N/A ALA 38.A N ASP 34.A O no hydrogen 3.024 N/A LEU 39.A N LEU 35.A O no hydrogen 2.958 N/A CYS 40.A N GLU 36.A O no hydrogen 2.958 N/A CYS 40.A SG GLU 36.A O no hydrogen 3.362 N/A THR 41.A N THR 37.A O no hydrogen 2.996 N/A THR 41.A OG1 THR 37.A O no hydrogen 2.755 N/A ILE 42.A N ALA 38.A O no hydrogen 3.019 N/A ARG 43.A N LEU 39.A O no hydrogen 3.030 N/A ARG 43.A NE PRO 15.A O no hydrogen 3.022 N/A ARG 43.A NH1 ASP 47.A OD1 no hydrogen 2.756 N/A ARG 43.A NH2 VAL 14.A O no hydrogen 2.779 N/A MET 44.A N CYS 40.A O no hydrogen 2.993 N/A PHE 45.A N THR 41.A O no hydrogen 3.223 N/A THR 46.A N ILE 42.A O no hydrogen 2.969 N/A THR 46.A OG1 ILE 42.A O no hydrogen 2.845 N/A ASP 47.A N ARG 43.A O no hydrogen 2.898 N/A ASN 49.A N THR 46.A O no hydrogen 2.934 N/A LEU 50.A N PHE 45.A O no hydrogen 2.928 N/A ASN 53.A N ASN 49.A O no hydrogen 2.967 N/A PHE 54.A N LEU 50.A O no hydrogen 3.101 N/A GLN 55.A N GLN 52.A O no hydrogen 3.384 N/A GLN 55.A NE2 GLN 52.A O no hydrogen 2.735 N/A MET 56.A N VAL 51.A O no hydrogen 3.049 N/A LEU 61.A N LYS 57.A O no hydrogen 3.006 N/A CYS 62.A N HIS 58.A O no hydrogen 2.979 N/A CYS 62.A SG HIS 58.A NE2 no hydrogen 3.634 N/A CYS 62.A SG HIS 58.A O no hydrogen 3.323 N/A ARG 63.A N GLU 59.A O no hydrogen 2.919 N/A ARG 63.A NH1 GLY 163.A O no hydrogen 2.938 N/A TRP 64.A N VAL 60.A O no hydrogen 2.846 N/A ILE 65.A N LEU 61.A O no hydrogen 2.938 N/A LEU 66.A N CYS 62.A O no hydrogen 3.091 N/A SER 67.A N ARG 63.A O no hydrogen 2.957 N/A SER 67.A OG ARG 63.A O no hydrogen 3.047 N/A SER 67.A OG ASN 164.A OD1 no hydrogen 2.788 N/A VAL 68.A N TRP 64.A O no hydrogen 2.929 N/A LYS 69.A N ILE 65.A O no hydrogen 2.959 N/A LYS 69.A NZ GLU 5.A OE2 no hydrogen 2.819 N/A LYS 70.A N LEU 66.A O no hydrogen 2.879 N/A ASN 71.A N SER 67.A O no hydrogen 3.155 N/A ASN 71.A N VAL 68.A O no hydrogen 3.025 N/A ASN 71.A ND2 SER 67.A O no hydrogen 2.853 N/A TYR 72.A N LYS 69.A O no hydrogen 3.278 N/A TYR 72.A OH LEU 117.A O no hydrogen 2.590 N/A ARG 73.A NH2 ASP 122.A OD1 no hydrogen 2.842 N/A VAL 76.A N ARG 73.A O no hydrogen 3.122 N/A ALA 77.A N GLY 256.A O no hydrogen 2.513 N/A TYR 78.A N GLU 251.A OE1 no hydrogen 2.776 N/A HIS 79.A N GLU 251.A OE1 no hydrogen 2.767 N/A HIS 79.A ND1 GLU 251.A OE2 no hydrogen 2.645 N/A ASN 80.A N TYR 78.A O no hydrogen 2.781 N/A ASN 80.A ND2 VAL 76.A O no hydrogen 2.839 N/A ASN 80.A ND2 ALA 77.A O no hydrogen 3.048 N/A TRP 81.A NE1 THR 37.A OG1 no hydrogen 2.923 N/A ARG 82.A NH1 ASP 29.A OD2 no hydrogen 2.788 N/A ARG 82.A NH1 LEU 32.A O no hydrogen 3.055 N/A ARG 82.A NH2 LEU 32.A O no hydrogen 2.805 N/A ARG 82.A NH2 ASP 34.A OD1 no hydrogen 2.853 N/A HIS 83.A N ASN 80.A O no hydrogen 3.011 N/A HIS 83.A N ASN 80.A OD1 no hydrogen 3.306 N/A HIS 83.A NE2 ASP 230.A OD1 no hydrogen 2.810 N/A ALA 84.A N ASN 80.A O no hydrogen 3.167 N/A PHE 85.A N TRP 81.A O no hydrogen 2.696 N/A ASN 86.A N ARG 82.A O no hydrogen 2.872 N/A ASN 86.A ND2 ASP 29.A OD1 no hydrogen 2.878 N/A ASN 86.A ND2 ARG 82.A O no hydrogen 2.865 N/A THR 87.A N HIS 83.A O no hydrogen 2.939 N/A THR 87.A OG1 HIS 83.A O no hydrogen 2.882 N/A ALA 88.A N ALA 84.A O no hydrogen 3.025 N/A GLN 89.A N PHE 85.A O no hydrogen 2.957 N/A GLN 89.A NE2 ILE 22.A O no hydrogen 2.722 N/A GLN 89.A NE2 ASP 24.A O no hydrogen 2.983 N/A CYS 90.A N ASN 86.A O no hydrogen 2.965 N/A MET 91.A N THR 87.A O no hydrogen 3.018 N/A PHE 92.A N ALA 88.A O no hydrogen 2.869 N/A ALA 93.A N GLN 89.A O no hydrogen 2.877 N/A ALA 94.A N CYS 90.A O no hydrogen 2.824 N/A LEU 95.A N MET 91.A O no hydrogen 2.883 N/A LYS 96.A N PHE 92.A O no hydrogen 2.792 N/A LYS 96.A NZ ASP 47.A O no hydrogen 2.852 N/A LYS 96.A NZ GLN 101.A OE1 no hydrogen 3.369 N/A GLY 98.A N ALA 93.A O no hydrogen 2.787 N/A LYS 99.A N LYS 96.A O no hydrogen 3.105 N/A ILE 100.A N ALA 94.A O no hydrogen 3.198 N/A GLN 101.A N LEU 95.A O no hydrogen 2.991 N/A LYS 103.A N ILE 100.A O no hydrogen 2.900 N/A LEU 104.A N GLN 101.A O no hydrogen 3.345 N/A THR 105.A N GLU 108.A OE1 no hydrogen 2.793 N/A GLU 108.A N THR 105.A OG1 no hydrogen 3.202 N/A ILE 109.A N THR 105.A O no hydrogen 2.978 N/A LEU 110.A N ASP 106.A O no hydrogen 2.846 N/A ALA 111.A N LEU 107.A O no hydrogen 2.845 N/A LEU 112.A N GLU 108.A O no hydrogen 2.886 N/A LEU 113.A N ILE 109.A O no hydrogen 3.088 N/A ILE 114.A N LEU 110.A O no hydrogen 3.133 N/A ALA 115.A N ALA 111.A O no hydrogen 2.835 N/A ALA 116.A N LEU 112.A O no hydrogen 2.821 N/A LEU 117.A N LEU 113.A O no hydrogen 3.158 N/A SER 118.A N ILE 114.A O no hydrogen 2.922 N/A SER 118.A OG ILE 114.A O no hydrogen 2.890 N/A HIS 119.A N ALA 115.A O no hydrogen 2.740 N/A HIS 119.A ND1 ALA 116.A O no hydrogen 2.631 N/A HIS 119.A NE2 ASP 230.A OD1 no hydrogen 2.950 N/A ASP 120.A N TYR 72.A OH no hydrogen 3.251 N/A LEU 121.A N SER 118.A O no hydrogen 3.063 N/A ASP 122.A N ASN 71.A O no hydrogen 2.942 N/A HIS 123.A N ASP 120.A O no hydrogen 2.929 N/A ARG 124.A NE ASP 122.A OD2 no hydrogen 3.531 N/A ARG 124.A NH2 ASP 122.A OD2 no hydrogen 3.199 N/A GLY 125.A N HIS 123.A ND1 no hydrogen 2.905 N/A VAL 126.A N GLU 251.A OE2 no hydrogen 3.070 N/A ASN 127.A N ASP 257.A OD1 no hydrogen 2.426 N/A ASN 127.A ND2 PHE 252.A O no hydrogen 3.006 N/A ASN 128.A ND2 GLY 125.A O no hydrogen 2.725 N/A TYR 130.A N ASN 128.A OD1 no hydrogen 3.114 N/A ARG 133.A N SER 129.A O no hydrogen 3.081 N/A ARG 133.A N TYR 130.A O no hydrogen 3.417 N/A SER 134.A N ILE 131.A O no hydrogen 3.004 N/A SER 134.A OG ILE 131.A O no hydrogen 2.669 N/A HIS 136.A N SER 134.A OG no hydrogen 3.177 N/A ALA 139.A N HIS 136.A O no hydrogen 2.914 N/A LEU 141.A N LEU 138.A O no hydrogen 2.854 N/A TYR 142.A N ALA 139.A O no hydrogen 2.769 N/A CYS 143.A N ALA 139.A O no hydrogen 2.712 N/A CYS 143.A SG HIS 149.A ND1 no hydrogen 3.725 N/A HIS 144.A ND1 ASP 190.A OD2 no hydrogen 2.883 N/A ILE 146.A N CYS 143.A O no hydrogen 3.026 N/A HIS 149.A N SER 145.A O no hydrogen 2.916 N/A HIS 149.A ND1 SER 145.A O no hydrogen 3.172 N/A HIS 150.A N ILE 146.A O no hydrogen 3.106 N/A HIS 150.A NE2 ASP 122.A OD2 no hydrogen 2.595 N/A HIS 151.A N MET 147.A O no hydrogen 2.868 N/A HIS 151.A ND1 LEU 121.A O no hydrogen 3.002 N/A PHE 152.A N GLU 148.A O no hydrogen 2.983 N/A ASP 153.A N HIS 149.A O no hydrogen 2.929 N/A GLN 154.A N HIS 150.A O no hydrogen 3.058 N/A CYS 155.A N HIS 151.A O no hydrogen 3.060 N/A LEU 156.A N PHE 152.A O no hydrogen 2.869 N/A MET 157.A N ASP 153.A O no hydrogen 2.939 N/A ILE 158.A N GLN 154.A O no hydrogen 3.078 N/A LEU 159.A N CYS 155.A O no hydrogen 2.987 N/A ASN 160.A N LEU 156.A O no hydrogen 3.022 N/A ASN 160.A N MET 157.A O no hydrogen 3.351 N/A ASN 160.A ND2 LEU 156.A O no hydrogen 3.092 N/A SER 161.A N ILE 158.A O no hydrogen 3.092 N/A SER 161.A OG MET 157.A O no hydrogen 2.762 N/A ASN 164.A N SER 161.A O no hydrogen 2.968 N/A ASN 164.A ND2 PRO 162.A O no hydrogen 3.093 N/A GLN 165.A NE2 SER 161.A O no hydrogen 3.322 N/A ILE 166.A N ASN 164.A O no hydrogen 2.902 N/A SER 168.A N GLN 165.A O no hydrogen 3.169 N/A SER 168.A OG GLN 165.A O no hydrogen 3.315 N/A LEU 170.A N LEU 167.A O no hydrogen 2.898 N/A SER 171.A N GLU 174.A OE2 no hydrogen 2.798 N/A GLU 174.A N SER 171.A OG no hydrogen 3.081 N/A TYR 175.A N SER 171.A O no hydrogen 2.740 N/A LYS 176.A N ILE 172.A O no hydrogen 2.900 N/A THR 177.A N GLU 173.A O no hydrogen 3.129 N/A THR 177.A OG1 GLU 173.A O no hydrogen 3.044 N/A THR 178.A N GLU 174.A O no hydrogen 2.808 N/A THR 178.A OG1 GLU 174.A O no hydrogen 2.884 N/A LEU 179.A N TYR 175.A O no hydrogen 2.948 N/A LYS 180.A N LYS 176.A O no hydrogen 3.146 N/A ILE 181.A N THR 177.A O no hydrogen 3.105 N/A ILE 182.A N THR 178.A O no hydrogen 2.824 N/A LYS 183.A N LEU 179.A O no hydrogen 2.866 N/A GLN 184.A N LYS 180.A O no hydrogen 3.010 N/A ALA 185.A N ILE 181.A O no hydrogen 2.900 N/A ILE 186.A N ILE 182.A O no hydrogen 2.982 N/A LEU 187.A N LYS 183.A O no hydrogen 2.924 N/A ALA 188.A N GLN 184.A O no hydrogen 2.824 N/A THR 189.A N ILE 186.A O no hydrogen 2.956 N/A THR 189.A OG1 ILE 186.A O no hydrogen 2.538 N/A ASP 190.A N LEU 187.A O no hydrogen 2.953 N/A ALA 192.A N ASP 190.A OD1 no hydrogen 2.987 N/A LEU 193.A N ASP 190.A O no hydrogen 2.810 N/A TYR 194.A N ASP 190.A O no hydrogen 3.282 N/A TYR 194.A OH ILE 275.A O no hydrogen 2.927 N/A ILE 195.A N LEU 191.A O no hydrogen 3.022 N/A LYS 196.A N ALA 192.A O no hydrogen 2.997 N/A ARG 197.A N LEU 193.A O no hydrogen 3.030 N/A ARG 197.A N TYR 194.A O no hydrogen 3.121 N/A ARG 198.A N TYR 194.A O no hydrogen 2.869 N/A ARG 198.A NH1 TYR 194.A OH no hydrogen 3.406 N/A ARG 198.A NH1 ALA 274.A O no hydrogen 2.945 N/A PHE 202.A N ARG 198.A O no hydrogen 2.940 N/A GLU 203.A N GLY 199.A O no hydrogen 2.799 N/A LEU 204.A N GLU 200.A O no hydrogen 3.075 N/A ILE 205.A N PHE 201.A O no hydrogen 3.131 N/A ARG 206.A N PHE 202.A O no hydrogen 2.881 N/A LYS 207.A N GLU 203.A O no hydrogen 2.828 N/A LYS 207.A NZ GLU 203.A OE1 no hydrogen 3.266 N/A ASN 208.A N ILE 205.A O no hydrogen 3.151 N/A ASN 208.A ND2 ILE 205.A O no hydrogen 3.164 N/A GLN 209.A N LEU 204.A O no hydrogen 2.766 N/A ASN 211.A N GLN 217.A OE1 no hydrogen 2.505 N/A ASN 211.A ND2 GLU 213.A OE1 no hydrogen 3.059 N/A ASP 214.A N ASN 211.A O no hydrogen 2.947 N/A HIS 216.A N ASP 214.A OD1 no hydrogen 2.884 N/A HIS 216.A NE2 GLU 200.A OE1 no hydrogen 3.296 N/A HIS 216.A NE2 GLU 200.A OE2 no hydrogen 2.898 N/A GLN 217.A N ASP 214.A OD1 no hydrogen 3.431 N/A GLN 217.A NE2 GLN 209.A O no hydrogen 3.526 N/A LYS 218.A N ASP 214.A O no hydrogen 2.876 N/A LYS 218.A NZ LYS 103.A O no hydrogen 2.974 N/A LYS 218.A NZ GLU 108.A OE1 no hydrogen 3.412 N/A GLU 219.A N PRO 215.A O no hydrogen 3.249 N/A LEU 220.A N HIS 216.A O no hydrogen 3.060 N/A PHE 221.A N GLN 217.A O no hydrogen 2.864 N/A LEU 222.A N LYS 218.A O no hydrogen 2.964 N/A ALA 223.A N GLU 219.A O no hydrogen 3.247 N/A MET 224.A N LEU 220.A O no hydrogen 3.013 N/A LEU 225.A N PHE 221.A O no hydrogen 2.829 N/A MET 226.A N LEU 222.A O no hydrogen 3.054 N/A THR 227.A N ALA 223.A O no hydrogen 3.127 N/A THR 227.A OG1 ALA 223.A O no hydrogen 3.284 N/A ALA 228.A N MET 224.A O no hydrogen 2.922 N/A CYS 229.A N LEU 225.A O no hydrogen 3.003 N/A CYS 229.A SG LEU 225.A O no hydrogen 3.461 N/A ASP 230.A N MET 226.A O no hydrogen 2.929 N/A LEU 231.A N THR 227.A O no hydrogen 3.002 N/A SER 232.A N CYS 229.A O no hydrogen 3.183 N/A SER 232.A OG CYS 229.A O no hydrogen 2.578 N/A ILE 234.A N LEU 231.A O no hydrogen 2.984 N/A THR 235.A N SER 232.A O no hydrogen 2.944 N/A THR 235.A OG1 SER 232.A O no hydrogen 2.658 N/A LYS 236.A N ALA 233.A O no hydrogen 3.321 N/A LYS 236.A NZ PHE 25.A O no hydrogen 2.977 N/A LYS 236.A NZ PHE 27.A O no hydrogen 2.812 N/A ILE 240.A N PRO 237.A O no hydrogen 2.816 N/A GLN 241.A N PRO 237.A O no hydrogen 2.925 N/A GLN 241.A NE2 ALA 233.A O no hydrogen 2.833 N/A GLN 242.A N TRP 238.A O no hydrogen 2.930 N/A ILE 244.A N ILE 240.A O no hydrogen 2.956 N/A ALA 245.A N GLN 241.A O no hydrogen 2.805 N/A GLU 246.A N GLN 242.A O no hydrogen 3.116 N/A LEU 247.A N ARG 243.A O no hydrogen 3.189 N/A VAL 248.A N ILE 244.A O no hydrogen 3.077 N/A ALA 249.A N ALA 245.A O no hydrogen 2.891 N/A THR 250.A N GLU 246.A O no hydrogen 2.942 N/A THR 250.A OG1 GLU 246.A O no hydrogen 2.892 N/A GLU 251.A N LEU 247.A O no hydrogen 2.998 N/A PHE 252.A N VAL 248.A O no hydrogen 2.826 N/A PHE 253.A N ALA 249.A O no hydrogen 2.788 N/A ASP 254.A N THR 250.A O no hydrogen 2.878 N/A GLY 256.A N THR 250.A O no hydrogen 3.139 N/A LYS 260.A NZ PHE 253.A O no hydrogen 3.444 N/A ASN 262.A N GLU 259.A O no hydrogen 2.916 N/A LYS 263.A N LYS 260.A O no hydrogen 2.687 N/A SER 266.A OG LYS 263.A O no hydrogen 2.963 N/A MET 267.A N LYS 263.A O no hydrogen 2.974 N/A GLN 268.A N ILE 264.A O no hydrogen 2.874 N/A GLN 268.A NE2 GLN 241.A OE1 no hydrogen 2.962 N/A VAL 269.A N PRO 265.A O no hydrogen 3.128 N/A GLY 270.A N SER 266.A O no hydrogen 2.971 N/A PHE 271.A N MET 267.A O no hydrogen 2.931 N/A ILE 272.A N GLN 268.A O no hydrogen 2.826 N/A ASP 273.A N VAL 269.A O no hydrogen 2.956 N/A ALA 274.A N GLY 270.A O no hydrogen 2.914 N/A ILE 275.A N PHE 271.A O no hydrogen 2.875 N/A CYS 276.A N PHE 271.A O no hydrogen 3.480 N/A CYS 276.A SG PHE 271.A O no hydrogen 3.907 N/A LEU 277.A N ILE 272.A O no hydrogen 2.870 N/A TYR 280.A N CYS 276.A O no hydrogen 3.077 N/A TYR 280.A OH ALA 228.A O no hydrogen 2.629 N/A GLU 281.A N LEU 277.A O no hydrogen 2.924 N/A ALA 282.A N GLN 278.A O no hydrogen 2.893 N/A LEU 283.A N LEU 279.A O no hydrogen 2.950 N/A THR 284.A N TYR 280.A O no hydrogen 3.203 N/A THR 284.A OG1 TYR 280.A O no hydrogen 2.985 N/A HIS 285.A N GLU 281.A O no hydrogen 3.256 N/A HIS 285.A N ALA 282.A O no hydrogen 3.036 N/A VAL 286.A N ALA 282.A O no hydrogen 3.269 N/A SER 287.A N LEU 283.A O no hydrogen 2.954 N/A SER 287.A OG GLY 98.A O no hydrogen 2.557 N/A CYS 290.A N SER 287.A O no hydrogen 2.924 N/A CYS 290.A SG GLY 98.A O no hydrogen 3.871 N/A PHE 291.A N GLU 288.A O no hydrogen 3.072 N/A LEU 293.A N CYS 290.A O no hydrogen 3.086 N/A ASP 295.A N PHE 291.A O no hydrogen 2.768 N/A GLY 296.A N PRO 292.A O no hydrogen 2.890 N/A CYS 297.A N LEU 293.A O no hydrogen 2.998 N/A ARG 298.A N LEU 294.A O no hydrogen 2.970 N/A LYS 299.A N ASP 295.A O no hydrogen 3.050 N/A LYS 299.A NZ ASP 295.A OD1 no hydrogen 3.023 N/A ASN 300.A N GLY 296.A O no hydrogen 3.065 N/A ASN 300.A ND2 ILE 234.A O no hydrogen 2.724 N/A ASN 300.A ND2 LYS 236.A O no hydrogen 2.810 N/A ARG 301.A N CYS 297.A O no hydrogen 2.969 N/A ARG 301.A NE ASP 273.A OD1 no hydrogen 2.663 N/A ARG 301.A NE ASP 273.A OD2 no hydrogen 3.312 N/A ARG 301.A NH2 ASP 273.A OD2 no hydrogen 2.786 N/A GLN 302.A N ARG 298.A O no hydrogen 3.005 N/A LYS 303.A N LYS 299.A O no hydrogen 3.049 N/A TRP 304.A N ASN 300.A O no hydrogen 2.819 N/A TRP 304.A NE1 GLN 241.A OE1 no hydrogen 2.967 N/A GLN 305.A N ARG 301.A O no hydrogen 2.779 N/A ALA 306.A N GLN 302.A O no hydrogen 3.008 N/A LEU 307.A N LYS 303.A O no hydrogen 3.243 N/A ALA 308.A N TRP 304.A O no hydrogen 2.761 N/A GLU 309.A N GLN 305.A O no hydrogen 3.061 N/A GLN 310.A N LEU 307.A O no hydrogen 2.663 N/A