Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bum_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A OG1 GLU 64.A OE1 no hydrogen 3.262 N/A VAL 4.A N GLY 63.A O no hydrogen 3.194 N/A MET 8.A N ASP 5.A OD1 no hydrogen 3.185 N/A VAL 9.A N ASP 5.A O no hydrogen 3.193 N/A GLU 10.A N LYS 6.A O no hydrogen 2.931 N/A LYS 11.A N LYS 7.A O no hydrogen 2.955 N/A CYS 12.A N MET 8.A O no hydrogen 3.156 N/A CYS 12.A SG MET 72.A O no hydrogen 4.035 N/A TRP 13.A N VAL 9.A O no hydrogen 3.205 N/A LYS 14.A N GLU 10.A O no hydrogen 3.064 N/A LEU 15.A N LYS 11.A O no hydrogen 2.827 N/A MET 16.A N CYS 12.A O no hydrogen 2.751 N/A ASP 17.A N TRP 13.A O no hydrogen 2.982 N/A LYS 18.A N LYS 14.A O no hydrogen 3.232 N/A VAL 19.A N LEU 15.A O no hydrogen 3.108 N/A VAL 20.A N MET 16.A O no hydrogen 3.018 N/A ARG 21.A N ASP 17.A O no hydrogen 3.010 N/A LEU 22.A N LYS 18.A O no hydrogen 3.035 N/A CYS 23.A N VAL 19.A O no hydrogen 2.958 N/A CYS 23.A SG VAL 19.A O no hydrogen 3.444 N/A GLN 24.A N VAL 20.A O no hydrogen 3.087 N/A GLN 24.A N ARG 21.A O no hydrogen 3.303 N/A ASN 25.A N LEU 22.A O no hydrogen 3.419 N/A LYS 27.A N ASN 25.A OD1 no hydrogen 2.863 N/A LEU 28.A N ASN 25.A O no hydrogen 3.148 N/A ALA 29.A N PRO 26.A O no hydrogen 3.273 N/A SER 33.A OG ASP 228.A OD2 no hydrogen 2.524 N/A ASP 39.A N TYR 36.A O no hydrogen 2.776 N/A LEU 40.A N TYR 36.A O no hydrogen 2.970 N/A LEU 41.A N ILE 37.A O no hydrogen 3.215 N/A ASP 43.A N ASP 39.A O no hydrogen 2.952 N/A THR 44.A N LEU 40.A O no hydrogen 2.791 N/A THR 44.A OG1 LEU 40.A O no hydrogen 2.665 N/A TYR 45.A N LEU 41.A O no hydrogen 2.798 N/A GLN 46.A N PRO 42.A O no hydrogen 2.884 N/A HIS 47.A N ASP 43.A O no hydrogen 2.992 N/A LEU 48.A N THR 44.A O no hydrogen 3.016 N/A ARG 49.A N TYR 45.A O no hydrogen 2.825 N/A THR 50.A N GLN 46.A O no hydrogen 2.999 N/A THR 50.A OG1 GLN 46.A O no hydrogen 3.320 N/A ILE 51.A N HIS 47.A O no hydrogen 2.904 N/A LEU 52.A N LEU 48.A O no hydrogen 3.074 N/A SER 53.A N ARG 49.A O no hydrogen 3.052 N/A SER 53.A OG ARG 49.A O no hydrogen 3.546 N/A SER 53.A OG THR 50.A O no hydrogen 2.794 N/A ARG 54.A N THR 50.A O no hydrogen 3.134 N/A TYR 55.A N LEU 52.A O no hydrogen 2.929 N/A THR 61.A OG1 LYS 58.A O no hydrogen 3.257 N/A GLY 63.A N MET 59.A O no hydrogen 2.986 N/A GLU 64.A N GLU 60.A O no hydrogen 2.973 N/A GLU 64.A N THR 61.A O no hydrogen 2.939 N/A ASN 65.A N THR 61.A O no hydrogen 2.975 N/A ASN 65.A N LEU 62.A O no hydrogen 3.028 N/A TYR 67.A OH GLU 117.A OE1 no hydrogen 2.755 N/A PHE 68.A N ASN 65.A OD1 no hydrogen 2.997 N/A ARG 69.A N ASN 65.A O no hydrogen 3.103 N/A ARG 69.A NE PRO 1.A O no hydrogen 2.726 N/A ARG 69.A NH2 PRO 1.A O no hydrogen 3.413 N/A VAL 70.A N GLU 66.A O no hydrogen 3.213 N/A PHE 71.A N TYR 67.A O no hydrogen 2.866 N/A MET 72.A N PHE 68.A O no hydrogen 2.837 N/A GLU 73.A N ARG 69.A O no hydrogen 2.942 N/A ASN 74.A N VAL 70.A O no hydrogen 2.909 N/A ASN 74.A ND2 THR 184.A O no hydrogen 3.047 N/A LEU 75.A N PHE 71.A O no hydrogen 2.818 N/A MET 76.A N MET 72.A O no hydrogen 3.054 N/A LYS 77.A N GLU 73.A O no hydrogen 3.090 N/A LYS 77.A NZ GLN 81.A OE1 no hydrogen 2.471 N/A LYS 78.A N ASN 74.A O no hydrogen 2.763 N/A LYS 78.A NZ ASN 74.A OD1 no hydrogen 2.946 N/A LYS 78.A NZ THR 184.A O no hydrogen 3.491 N/A LYS 78.A NZ CYS 185.A O no hydrogen 2.847 N/A THR 79.A N LEU 75.A O no hydrogen 2.927 N/A THR 79.A OG1 LEU 75.A O no hydrogen 3.052 N/A THR 79.A OG1 MET 76.A O no hydrogen 2.788 N/A LYS 80.A N MET 76.A O no hydrogen 3.036 N/A GLN 81.A N LYS 77.A O no hydrogen 2.974 N/A THR 82.A N LYS 78.A O no hydrogen 3.102 N/A THR 82.A OG1 LYS 78.A O no hydrogen 2.876 N/A ILE 83.A N THR 79.A O no hydrogen 3.076 N/A SER 84.A N LYS 80.A O no hydrogen 2.980 N/A SER 84.A OG LYS 80.A O no hydrogen 2.967 N/A LEU 85.A N GLN 81.A O no hydrogen 2.910 N/A PHE 86.A N THR 82.A O no hydrogen 3.253 N/A LYS 87.A N ILE 83.A O no hydrogen 3.211 N/A GLU 88.A N SER 84.A O no hydrogen 2.962 N/A GLY 89.A N LEU 85.A O no hydrogen 2.912 N/A LYS 90.A NZ LYS 87.A O no hydrogen 3.078 N/A ARG 92.A N GLY 89.A O no hydrogen 2.709 N/A MET 93.A N LYS 90.A O no hydrogen 3.258 N/A ASN 97.A N GLU 96.A OE1 no hydrogen 2.612 N/A SER 98.A N GLU 95.A O no hydrogen 3.174 N/A SER 98.A OG ARG 92.A O no hydrogen 2.800 N/A SER 98.A OG GLU 95.A O no hydrogen 3.005 N/A ARG 101.A N SER 98.A OG no hydrogen 3.294 N/A ARG 101.A NH1 LEU 28.A O no hydrogen 3.327 N/A ARG 101.A NH1 MET 93.A O no hydrogen 3.023 N/A ARG 101.A NH2 LEU 28.A O no hydrogen 2.617 N/A ARG 102.A N SER 98.A O no hydrogen 2.987 N/A ASN 103.A N GLN 99.A O no hydrogen 2.892 N/A LEU 104.A N PRO 100.A O no hydrogen 3.222 N/A THR 105.A N ARG 101.A O no hydrogen 3.139 N/A THR 105.A OG1 ARG 101.A O no hydrogen 3.548 N/A LYS 106.A N ARG 102.A O no hydrogen 3.061 N/A LEU 107.A N ASN 103.A O no hydrogen 2.893 N/A SER 108.A N LEU 104.A O no hydrogen 2.953 N/A SER 108.A OG LEU 104.A O no hydrogen 2.800 N/A LEU 109.A N THR 105.A O no hydrogen 3.050 N/A ILE 110.A N LYS 106.A O no hydrogen 2.993 N/A PHE 111.A N LEU 107.A O no hydrogen 2.939 N/A SER 112.A N SER 108.A O no hydrogen 3.061 N/A HIS 113.A N LEU 109.A O no hydrogen 2.913 N/A MET 114.A N ILE 110.A O no hydrogen 2.870 N/A LEU 115.A N PHE 111.A O no hydrogen 2.933 N/A ALA 116.A N SER 112.A O no hydrogen 3.025 N/A GLU 117.A N HIS 113.A O no hydrogen 3.045 N/A LEU 118.A N MET 114.A O no hydrogen 2.961 N/A LYS 119.A N LEU 115.A O no hydrogen 3.117 N/A GLY 120.A N ALA 116.A O no hydrogen 2.998 N/A GLY 120.A N GLU 117.A O no hydrogen 3.072 N/A ILE 121.A N GLU 117.A O no hydrogen 2.924 N/A PHE 122.A N LEU 118.A O no hydrogen 2.678 N/A GLY 125.A N PHE 122.A O no hydrogen 3.002 N/A LEU 126.A N PRO 123.A O no hydrogen 3.401 N/A PHE 127.A N TYR 55.A OH no hydrogen 3.309 N/A GLN 128.A N ILE 121.A O no hydrogen 2.832 N/A THR 131.A N GLN 128.A O no hydrogen 3.032 N/A THR 131.A OG1 GLN 128.A O no hydrogen 3.094 N/A PHE 132.A N GLY 129.A O no hydrogen 3.369 N/A THR 135.A N ASP 195.A OD1 no hydrogen 2.807 N/A LYS 136.A NZ GLN 202.A OE1 no hydrogen 2.830 N/A ALA 140.A N LYS 136.A O no hydrogen 2.840 N/A GLU 141.A N ALA 137.A O no hydrogen 3.082 N/A PHE 142.A N ASP 138.A O no hydrogen 3.164 N/A TRP 143.A N ALA 139.A O no hydrogen 3.107 N/A TRP 143.A NE1 LYS 150.A O no hydrogen 3.049 N/A ARG 144.A N ALA 140.A O no hydrogen 3.087 N/A ARG 144.A NE GLU 141.A OE2 no hydrogen 3.020 N/A LYS 145.A N GLU 141.A O no hydrogen 3.111 N/A ALA 146.A N PHE 142.A O no hydrogen 3.100 N/A PHE 147.A N TRP 143.A O no hydrogen 2.683 N/A GLY 148.A N ARG 144.A O no hydrogen 2.602 N/A LYS 150.A N PHE 147.A O no hydrogen 3.156 N/A LYS 150.A NZ GLU 66.A OE1 no hydrogen 3.080 N/A LYS 150.A NZ ILE 152.A O no hydrogen 3.101 N/A VAL 153.A N ILE 189.A O no hydrogen 3.150 N/A TRP 155.A N ASP 187.A O no hydrogen 3.048 N/A PHE 158.A N PRO 154.A O no hydrogen 3.001 N/A ARG 159.A N TRP 155.A O no hydrogen 2.729 N/A GLN 160.A N LYS 156.A O no hydrogen 3.002 N/A ALA 161.A N SER 157.A O no hydrogen 3.290 N/A LEU 162.A N PHE 158.A O no hydrogen 2.932 N/A HIS 163.A N ARG 159.A O no hydrogen 2.903 N/A GLU 164.A N GLN 160.A O no hydrogen 3.429 N/A VAL 165.A N LEU 162.A O no hydrogen 2.999 N/A HIS 166.A N LEU 162.A O no hydrogen 2.589 N/A SER 169.A N GLU 173.A OE2 no hydrogen 3.075 N/A GLU 173.A N SER 170.A OG no hydrogen 3.405 N/A ALA 174.A N SER 170.A O no hydrogen 2.900 N/A MET 175.A N GLY 171.A O no hydrogen 2.977 N/A ALA 176.A N LEU 172.A O no hydrogen 3.004 N/A LEU 177.A N GLU 173.A O no hydrogen 2.774 N/A LYS 178.A N ALA 174.A O no hydrogen 2.931 N/A LYS 178.A NZ ASP 187.A OD1 no hydrogen 3.177 N/A SER 179.A N MET 175.A O no hydrogen 3.147 N/A SER 179.A OG ALA 176.A O no hydrogen 2.952 N/A THR 180.A N ALA 176.A O no hydrogen 3.195 N/A THR 180.A OG1 ALA 176.A O no hydrogen 2.913 N/A ILE 181.A N LEU 177.A O no hydrogen 2.972 N/A ASP 182.A N LYS 178.A O no hydrogen 2.867 N/A LEU 183.A N ILE 181.A O no hydrogen 2.849 N/A THR 184.A N GLU 193.A OE2 no hydrogen 2.912 N/A THR 184.A OG1 GLU 193.A OE2 no hydrogen 3.067 N/A CYS 185.A N ASP 182.A O no hydrogen 2.917 N/A CYS 185.A SG ASP 182.A O no hydrogen 3.601 N/A ASN 186.A N ASP 182.A OD1 no hydrogen 3.228 N/A ASP 187.A N ASP 182.A OD2 no hydrogen 2.821 N/A TYR 188.A N ASN 186.A OD1 no hydrogen 2.916 N/A ILE 189.A N VAL 153.A O no hydrogen 2.842 N/A SER 190.A N GLU 193.A OE1 no hydrogen 3.060 N/A SER 190.A OG GLU 117.A OE2 no hydrogen 2.594 N/A VAL 191.A N THR 151.A O no hydrogen 2.820 N/A GLU 193.A N SER 190.A OG no hydrogen 3.226 N/A PHE 194.A N SER 190.A O no hydrogen 2.967 N/A ASP 195.A N VAL 191.A O no hydrogen 2.882 N/A ILE 196.A N PHE 192.A O no hydrogen 3.011 N/A PHE 197.A N GLU 193.A O no hydrogen 3.002 N/A THR 198.A N PHE 194.A O no hydrogen 2.952 N/A THR 198.A OG1 PHE 194.A O no hydrogen 2.948 N/A THR 198.A OG1 ASP 195.A O no hydrogen 3.215 N/A ARG 199.A N ASP 195.A O no hydrogen 2.893 N/A ARG 199.A NH2 ASP 195.A OD2 no hydrogen 3.324 N/A LEU 200.A N ILE 196.A O no hydrogen 3.024 N/A PHE 201.A N PHE 197.A O no hydrogen 2.993 N/A GLN 202.A NE2 ARG 199.A O no hydrogen 2.747 N/A SER 206.A N PRO 203.A O no hydrogen 3.149 N/A SER 206.A OG ASN 210.A OD1 no hydrogen 2.719 N/A LEU 207.A N TRP 204.A O no hydrogen 3.174 N/A ASN 210.A N SER 206.A O no hydrogen 2.936 N/A ASN 210.A ND2 PHE 201.A O no hydrogen 2.893 N/A ASN 210.A ND2 PRO 203.A O no hydrogen 3.075 N/A TRP 211.A N LEU 207.A O no hydrogen 3.169 N/A TRP 211.A NE1 THR 180.A OG1 no hydrogen 3.192 N/A ASN 212.A N LEU 208.A O no hydrogen 3.015 N/A SER 213.A N ARG 209.A O no hydrogen 3.112 N/A SER 213.A OG ARG 209.A O no hydrogen 2.962 N/A LEU 214.A N ASN 210.A O no hydrogen 2.972 N/A ALA 215.A N TRP 211.A O no hydrogen 2.921 N/A VAL 216.A N TRP 211.A O no hydrogen 3.167 N/A THR 217.A N ASN 212.A O no hydrogen 2.875 N/A THR 217.A OG1 ASN 212.A O no hydrogen 2.929 N/A GLY 220.A N HIS 218.A ND1 no hydrogen 2.797 N/A TYR 221.A N HIS 218.A O no hydrogen 3.268 N/A MET 222.A N PHE 246.A O no hydrogen 2.730 N/A THR 226.A N GLU 229.A OE1 no hydrogen 2.895 N/A THR 226.A OG1 GLU 229.A OE1 no hydrogen 3.526 N/A GLU 229.A N THR 226.A OG1 no hydrogen 3.281 N/A VAL 230.A N THR 226.A O no hydrogen 3.071 N/A LYS 231.A N TYR 227.A O no hydrogen 3.136 N/A ALA 232.A N ASP 228.A O no hydrogen 3.029 N/A ARG 233.A N GLU 229.A O no hydrogen 2.855 N/A ARG 233.A NE ASP 294.A OD1 no hydrogen 3.041 N/A ARG 233.A NH2 ASP 294.A OD2 no hydrogen 2.851 N/A LEU 234.A N VAL 230.A O no hydrogen 2.961 N/A GLN 235.A N ALA 232.A O no hydrogen 3.341 N/A LYS 236.A NZ ARG 233.A O no hydrogen 2.886 N/A PHE 237.A N LEU 234.A O no hydrogen 2.831 N/A ILE 238.A N GLN 235.A O no hydrogen 3.183 N/A LYS 240.A N PHE 237.A O no hydrogen 2.685 N/A LYS 240.A NZ GLY 295.A O no hydrogen 2.776 N/A GLY 242.A N VAL 261.A O no hydrogen 2.998 N/A SER 243.A N LYS 240.A O no hydrogen 3.157 N/A SER 243.A OG LYS 240.A O no hydrogen 2.819 N/A TYR 244.A N PHE 292.A O no hydrogen 2.938 N/A ILE 245.A N GLY 259.A O no hydrogen 2.991 N/A PHE 246.A N GLY 220.A O no hydrogen 2.982 N/A ARG 247.A N ALA 257.A O no hydrogen 3.119 N/A SER 249.A N GLN 255.A O no hydrogen 2.953 N/A CYS 250.A SG SER 112.A OG no hydrogen 3.155 N/A ARG 252.A N SER 249.A OG no hydrogen 3.101 N/A ARG 252.A NH1 THR 251.A OG1 no hydrogen 3.033 N/A GLN 255.A N ARG 252.A O no hydrogen 2.973 N/A TRP 256.A NE1 LEU 200.A O no hydrogen 2.984 N/A ALA 257.A N ARG 247.A O no hydrogen 2.947 N/A ILE 258.A N THR 270.A O no hydrogen 2.701 N/A GLY 259.A N ILE 245.A O no hydrogen 2.775 N/A TYR 260.A N LEU 268.A O no hydrogen 2.821 N/A VAL 261.A N SER 243.A O no hydrogen 2.947 N/A THR 262.A N ASN 266.A O no hydrogen 2.830 N/A THR 262.A OG1 ASP 264.A OD1 no hydrogen 2.663 N/A THR 262.A OG1 ASN 266.A O no hydrogen 3.386 N/A ASP 264.A N THR 262.A OG1 no hydrogen 3.149 N/A ASN 266.A N THR 262.A OG1 no hydrogen 2.949 N/A LEU 268.A N TYR 260.A O no hydrogen 3.014 N/A THR 270.A N ILE 258.A O no hydrogen 2.786 N/A THR 270.A OG1 ILE 258.A O no hydrogen 3.552 N/A LYS 275.A NZ ASP 283.A OD2 no hydrogen 2.764 N/A GLN 279.A NE2 ASP 283.A OD1 no hydrogen 2.621 N/A ALA 280.A N PRO 276.A O no hydrogen 3.196 N/A LEU 281.A N LEU 277.A O no hydrogen 2.906 N/A ILE 282.A N PHE 278.A O no hydrogen 3.053 N/A ASP 283.A N GLN 279.A O no hydrogen 2.839 N/A GLY 284.A N ALA 280.A O no hydrogen 2.883 N/A PHE 285.A N LEU 281.A O no hydrogen 2.916 N/A ARG 286.A N ILE 282.A O no hydrogen 3.037 N/A GLU 287.A N ASP 283.A O no hydrogen 2.893 N/A GLY 288.A N PHE 285.A O no hydrogen 3.041 N/A PHE 289.A N GLY 284.A O no hydrogen 2.806 N/A TYR 290.A N GLY 284.A O no hydrogen 3.081 N/A LEU 291.A N GLY 242.A O no hydrogen 2.835 N/A PHE 292.A N GLY 242.A O no hydrogen 2.843 N/A ASP 294.A N TYR 244.A O no hydrogen 2.711 N/A GLY 295.A N PHE 292.A O no hydrogen 2.944 N/A ARG 296.A N PRO 293.A O no hydrogen 2.925 N/A ASN 299.A ND2 TYR 244.A OH no hydrogen 2.680 N/A THR 303.A OG1 ASP 301.A OD1 no hydrogen 3.129 N/A GLY 304.A N LEU 302.A O no hydrogen 2.301 N/A