Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5buj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 6.A N GLN 9.A O no hydrogen 2.777 N/A GLN 9.A N VAL 6.A O no hydrogen 2.783 N/A PHE 11.A N GLU 4.A O no hydrogen 2.837 N/A ASP 12.A N TYR 94.A OH no hydrogen 3.046 N/A ARG 16.A NE ASP 36.A OD1 no hydrogen 2.800 N/A ARG 16.A NE ASP 36.A OD2 no hydrogen 3.417 N/A ARG 16.A NH1 ASP 36.A OD1 no hydrogen 3.429 N/A ARG 16.A NH1 ASP 36.A OD2 no hydrogen 2.808 N/A TYR 17.A N VAL 13.A O no hydrogen 3.333 N/A TYR 17.A OH ASP 80.A OD1 no hydrogen 2.648 N/A THR 18.A N TYR 35.A O no hydrogen 2.999 N/A THR 18.A OG1 ASN 19.A OD1 no hydrogen 3.039 N/A LEU 20.A N GLU 4.A OE1 no hydrogen 2.982 N/A SER 21.A N SER 33.A O no hydrogen 3.019 N/A TYR 22.A OH GLU 25.A OE2 no hydrogen 3.122 N/A ILE 23.A N VAL 31.A O no hydrogen 2.905 N/A GLY 24.A N VAL 31.A O no hydrogen 3.207 N/A GLY 26.A N GLY 29.A O no hydrogen 3.023 N/A GLY 29.A N GLY 26.A O no hydrogen 3.119 N/A MET 30.A N LYS 47.A O no hydrogen 3.107 N/A VAL 31.A N GLY 24.A O no hydrogen 2.796 N/A CYS 32.A N ILE 45.A O no hydrogen 2.968 N/A SER 33.A N SER 21.A O no hydrogen 2.773 N/A SER 33.A OG SER 21.A O no hydrogen 3.532 N/A ALA 34.A N VAL 43.A O no hydrogen 2.915 N/A TYR 35.A N THR 18.A O no hydrogen 2.616 N/A ASP 36.A N VAL 41.A O no hydrogen 2.974 N/A ASN 37.A N ARG 16.A O no hydrogen 2.969 N/A VAL 38.A N ASP 36.A OD1 no hydrogen 2.875 N/A ASN 39.A N ASP 36.A OD1 no hydrogen 3.232 N/A LYS 40.A N ASP 36.A O no hydrogen 2.930 N/A LYS 40.A NZ ASN 37.A O no hydrogen 2.648 N/A ARG 42.A NH1 ASN 19.A O no hydrogen 2.883 N/A ARG 42.A NH1 SER 33.A OG no hydrogen 2.774 N/A ARG 42.A NH2 ASN 19.A O no hydrogen 2.975 N/A VAL 43.A N ALA 34.A O no hydrogen 2.845 N/A ALA 44.A N GLN 97.A O no hydrogen 2.804 N/A ILE 45.A N CYS 32.A O no hydrogen 2.784 N/A LYS 46.A N ILE 95.A O no hydrogen 2.834 N/A LYS 46.A NZ GLU 63.A OE1 no hydrogen 3.415 N/A LYS 46.A NZ GLU 63.A OE2 no hydrogen 2.694 N/A LYS 47.A N MET 30.A O no hydrogen 2.815 N/A LYS 47.A NZ GLN 9.A OE1 no hydrogen 2.855 N/A LYS 47.A NZ VAL 10.A O no hydrogen 2.776 N/A ILE 48.A N VAL 93.A O no hydrogen 2.903 N/A SER 49.A OG ASP 92.A OD1 no hydrogen 2.686 N/A HIS 53.A N PRO 50.A O no hydrogen 3.198 N/A GLN 54.A NE2 LEU 308.A O no hydrogen 3.548 N/A CYS 57.A N HIS 53.A O no hydrogen 3.032 N/A CYS 57.A SG PRO 50.A O no hydrogen 3.358 N/A CYS 57.A SG HIS 53.A O no hydrogen 3.452 N/A GLN 58.A N GLN 54.A O no hydrogen 3.061 N/A ARG 59.A N THR 55.A O no hydrogen 3.132 N/A THR 60.A N TYR 56.A O no hydrogen 2.981 N/A THR 60.A OG1 TYR 56.A O no hydrogen 2.898 N/A LEU 61.A N CYS 57.A O no hydrogen 3.027 N/A ARG 62.A N GLN 58.A O no hydrogen 2.956 N/A ARG 62.A NH1 GLN 58.A OE1 no hydrogen 2.775 N/A ARG 62.A NH1 ASP 309.A OD1 no hydrogen 2.746 N/A GLU 63.A N ARG 59.A O no hydrogen 3.006 N/A ILE 64.A N THR 60.A O no hydrogen 3.112 N/A LYS 65.A N LEU 61.A O no hydrogen 2.945 N/A LYS 65.A NZ GLU 323.A OE2 no hydrogen 3.531 N/A ILE 66.A N ARG 62.A O no hydrogen 2.898 N/A LEU 67.A N GLU 63.A O no hydrogen 2.876 N/A LEU 68.A N ILE 64.A O no hydrogen 3.003 N/A ARG 69.A N LYS 65.A O no hydrogen 3.250 N/A ARG 69.A N ILE 66.A O no hydrogen 3.056 N/A PHE 70.A N ILE 66.A O no hydrogen 2.857 N/A ARG 71.A N TYR 131.A OH no hydrogen 3.132 N/A ASN 74.A N HIS 72.A ND1 no hydrogen 2.890 N/A ASN 74.A ND2 LEU 155.A O no hydrogen 2.962 N/A ILE 75.A N HIS 72.A O no hydrogen 3.036 N/A ILE 76.A N ILE 157.A O no hydrogen 3.080 N/A ASN 79.A N VAL 96.A O no hydrogen 2.857 N/A ASN 79.A ND2 ASP 98.A OD1 no hydrogen 3.049 N/A ASP 80.A N VAL 96.A O no hydrogen 3.429 N/A ILE 81.A N ASP 80.A OD2 no hydrogen 3.005 N/A ILE 82.A N TYR 94.A O no hydrogen 2.900 N/A ARG 83.A NE THR 324.A OG1 no hydrogen 2.814 N/A ARG 83.A NH1 PHE 321.A O no hydrogen 2.898 N/A ARG 83.A NH2 ALA 84.A O no hydrogen 3.026 N/A THR 86.A OG1 GLN 89.A OE1 no hydrogen 2.927 N/A GLU 88.A N GLU 88.A OE2 no hydrogen 2.890 N/A GLN 89.A N THR 86.A O no hydrogen 3.295 N/A MET 90.A N THR 86.A O no hydrogen 3.129 N/A MET 90.A N ILE 87.A O no hydrogen 3.133 N/A VAL 93.A N ILE 48.A O no hydrogen 2.932 N/A TYR 94.A N ILE 82.A O no hydrogen 2.916 N/A TYR 94.A OH VAL 10.A O no hydrogen 3.105 N/A ILE 95.A N LYS 46.A O no hydrogen 2.843 N/A VAL 96.A N ASP 80.A O no hydrogen 2.854 N/A GLN 97.A N ALA 44.A O no hydrogen 2.795 N/A GLN 97.A NE2 GLY 77.A O no hydrogen 3.266 N/A GLU 101.A N LEU 149.A O no hydrogen 2.745 N/A THR 102.A N LEU 149.A O no hydrogen 3.011 N/A THR 102.A OG1 ASP 103.A O no hydrogen 3.343 N/A LEU 104.A N LEU 147.A O no hydrogen 2.841 N/A LYS 106.A N ASP 103.A OD2 no hydrogen 2.875 N/A LEU 107.A N ASP 103.A O no hydrogen 2.971 N/A LEU 108.A N LEU 104.A O no hydrogen 2.928 N/A LYS 109.A N LYS 106.A O no hydrogen 3.224 N/A THR 110.A N LEU 107.A O no hydrogen 3.162 N/A THR 110.A OG1 LYS 106.A O no hydrogen 3.457 N/A THR 110.A OG1 GLN 111.A OE1 no hydrogen 2.835 N/A GLN 111.A N LEU 107.A O no hydrogen 2.772 N/A SER 114.A OG HIS 117.A ND1 no hydrogen 3.270 N/A ASN 115.A ND2 ASP 256.A OD1 no hydrogen 3.095 N/A HIS 117.A N SER 114.A OG no hydrogen 3.212 N/A HIS 117.A ND1 SER 114.A OG no hydrogen 3.270 N/A ILE 118.A N SER 114.A O no hydrogen 3.015 N/A CYS 119.A N ASN 115.A O no hydrogen 2.909 N/A CYS 119.A SG TYR 285.A O no hydrogen 3.211 N/A TYR 120.A N ASP 116.A O no hydrogen 2.987 N/A PHE 121.A N HIS 117.A O no hydrogen 2.898 N/A LEU 122.A N ILE 118.A O no hydrogen 2.850 N/A TYR 123.A N CYS 119.A O no hydrogen 2.903 N/A TYR 123.A OH GLU 295.A OE2 no hydrogen 2.634 N/A GLN 124.A N TYR 120.A O no hydrogen 3.122 N/A GLN 124.A NE2 TYR 120.A O no hydrogen 3.625 N/A GLN 124.A NE2 CYS 153.A O no hydrogen 2.836 N/A ILE 125.A N PHE 121.A O no hydrogen 3.046 N/A LEU 126.A N LEU 122.A O no hydrogen 2.986 N/A ARG 127.A N TYR 123.A O no hydrogen 2.811 N/A ARG 127.A NE ASP 294.A O no hydrogen 2.923 N/A ARG 127.A NH1 GLU 73.A OE1 no hydrogen 3.487 N/A ARG 127.A NH1 ASP 294.A O no hydrogen 2.937 N/A ARG 127.A NH1 ASP 294.A OD1 no hydrogen 3.483 N/A ARG 127.A NH2 GLU 73.A OE1 no hydrogen 3.196 N/A ARG 127.A NH2 ASN 74.A OD1 no hydrogen 2.809 N/A GLY 128.A N GLN 124.A O no hydrogen 2.989 N/A LEU 129.A N ILE 125.A O no hydrogen 2.874 N/A LYS 130.A N LEU 126.A O no hydrogen 2.735 N/A LYS 130.A NZ GLU 278.A OE1 no hydrogen 2.946 N/A LYS 130.A NZ GLU 295.A OE1 no hydrogen 2.898 N/A TYR 131.A N ARG 127.A O no hydrogen 3.370 N/A ILE 132.A N GLY 128.A O no hydrogen 3.049 N/A HIS 133.A N LEU 129.A O no hydrogen 2.788 N/A HIS 133.A NE2 ASP 183.A OD2 no hydrogen 2.825 N/A SER 134.A N LYS 130.A O no hydrogen 2.860 N/A SER 134.A OG TYR 131.A O no hydrogen 2.547 N/A ALA 135.A N TYR 131.A O no hydrogen 3.256 N/A ALA 135.A N ILE 132.A O no hydrogen 2.967 N/A ASN 136.A N HIS 133.A O no hydrogen 2.875 N/A VAL 137.A N ILE 132.A O no hydrogen 3.294 N/A LEU 138.A N ARG 164.A O no hydrogen 2.787 N/A HIS 139.A N ASP 183.A OD2 no hydrogen 2.825 N/A HIS 139.A NE2 CYS 158.A O no hydrogen 2.937 N/A ARG 140.A N ASP 183.A OD1 no hydrogen 2.875 N/A ARG 140.A NE LEU 162.A O no hydrogen 2.728 N/A ARG 140.A NH1 LEU 162.A O no hydrogen 3.138 N/A ASP 141.A N HIS 139.A ND1 no hydrogen 3.044 N/A LYS 143.A NZ ASP 141.A OD2 no hydrogen 3.465 N/A ASN 146.A N LYS 143.A O no hydrogen 3.028 N/A ASN 146.A ND2 ASP 141.A O no hydrogen 2.834 N/A LEU 147.A N PRO 144.A O no hydrogen 3.091 N/A LEU 148.A N LYS 156.A O no hydrogen 2.777 N/A LEU 149.A N THR 102.A O no hydrogen 2.857 N/A ASN 150.A N ASP 154.A O no hydrogen 3.184 N/A ASN 150.A ND2 ASP 154.A OD1 no hydrogen 2.910 N/A THR 152.A N ASN 150.A OD1 no hydrogen 2.957 N/A THR 152.A OG1 ASN 150.A OD1 no hydrogen 3.246 N/A THR 152.A OG1 ASP 154.A OD1 no hydrogen 3.365 N/A CYS 153.A N ASN 150.A O no hydrogen 3.198 N/A CYS 153.A SG HIS 117.A NE2 no hydrogen 3.581 N/A ASP 154.A N ASN 150.A OD1 no hydrogen 2.956 N/A LEU 155.A N GLN 124.A OE1 no hydrogen 2.746 N/A LYS 156.A N LEU 148.A O no hydrogen 2.859 N/A LYS 156.A NZ GLU 73.A O no hydrogen 2.767 N/A ILE 157.A N ASN 74.A O no hydrogen 2.913 N/A CYS 158.A N ASN 146.A O no hydrogen 2.907 N/A CYS 158.A SG ASN 146.A O no hydrogen 3.598 N/A CYS 158.A SG ASN 146.A OD1 no hydrogen 4.011 N/A PHE 160.A N GLU 63.A OE1 no hydrogen 2.859 N/A ALA 163.A N PHE 160.A O no hydrogen 3.173 N/A ARG 164.A N LEU 138.A O no hydrogen 3.096 N/A ARG 164.A NH1 ASP 309.A OD1 no hydrogen 3.123 N/A ARG 164.A NH1 ASP 309.A OD2 no hydrogen 2.740 N/A ARG 164.A NH2 ASP 309.A OD1 no hydrogen 2.966 N/A ALA 166.A N ASN 136.A O no hydrogen 2.608 N/A TRP 169.A NE1 GLY 203.A O no hydrogen 2.965 N/A TYR 170.A OH GLU 193.A OE1 no hydrogen 2.519 N/A ARG 171.A N ARG 168.A O no hydrogen 3.190 N/A GLU 174.A N GLU 174.A OE1 no hydrogen 2.747 N/A ILE 175.A N ALA 172.A O no hydrogen 3.163 N/A LEU 177.A N PRO 173.A O no hydrogen 2.802 N/A THR 179.A OG1 SER 181.A OG no hydrogen 2.733 N/A LYS 180.A NZ HIS 133.A O no hydrogen 3.036 N/A SER 181.A OG GLU 174.A OE2 no hydrogen 3.344 N/A SER 181.A OG THR 179.A OG1 no hydrogen 2.733 N/A ILE 182.A N THR 179.A O no hydrogen 3.018 N/A ASP 183.A N LYS 180.A O no hydrogen 3.054 N/A TRP 185.A N SER 181.A O no hydrogen 3.099 N/A SER 186.A N ILE 182.A O no hydrogen 3.306 N/A SER 186.A OG TYR 170.A O no hydrogen 2.826 N/A SER 186.A OG ILE 182.A O no hydrogen 3.216 N/A VAL 187.A N ASP 183.A O no hydrogen 2.987 N/A GLY 188.A N ILE 184.A O no hydrogen 2.899 N/A CYS 189.A N TRP 185.A O no hydrogen 2.969 N/A CYS 189.A SG TRP 169.A O no hydrogen 3.927 N/A CYS 189.A SG TRP 185.A O no hydrogen 3.581 N/A ILE 190.A N SER 186.A O no hydrogen 3.026 N/A LEU 191.A N VAL 187.A O no hydrogen 2.862 N/A ALA 192.A N GLY 188.A O no hydrogen 2.988 N/A GLU 193.A N CYS 189.A O no hydrogen 3.003 N/A MET 194.A N ILE 190.A O no hydrogen 2.874 N/A LEU 195.A N LEU 191.A O no hydrogen 3.007 N/A SER 196.A N ALA 192.A O no hydrogen 3.241 N/A SER 196.A N GLU 193.A O no hydrogen 3.389 N/A SER 196.A OG ALA 192.A O no hydrogen 3.170 N/A SER 196.A OG ARG 198.A O no hydrogen 3.293 N/A ASN 197.A N GLU 193.A O no hydrogen 2.725 N/A ASN 197.A ND2 LEU 108.A O no hydrogen 2.897 N/A ASN 197.A ND2 GLN 111.A O no hydrogen 2.714 N/A GLY 203.A N PHE 201.A O no hydrogen 2.970 N/A GLY 203.A N GLN 209.A OE1 no hydrogen 2.943 N/A LYS 204.A N ASP 208.A OD2 no hydrogen 2.885 N/A ASP 208.A N HIS 205.A ND1 no hydrogen 3.370 N/A GLN 209.A N HIS 205.A O no hydrogen 2.803 N/A GLN 209.A NE2 TRP 169.A O no hydrogen 3.616 N/A GLN 209.A NE2 PHE 201.A O no hydrogen 2.943 N/A LEU 210.A N TYR 206.A O no hydrogen 3.080 N/A ASN 211.A N LEU 207.A O no hydrogen 2.974 N/A ASN 211.A ND2 TYR 236.A OH no hydrogen 3.048 N/A HIS 212.A N ASP 208.A O no hydrogen 2.968 N/A HIS 212.A ND1 ASP 208.A O no hydrogen 2.875 N/A ILE 213.A N GLN 209.A O no hydrogen 3.131 N/A LEU 214.A N LEU 210.A O no hydrogen 2.937 N/A GLY 215.A N ASN 211.A O no hydrogen 2.846 N/A ILE 216.A N ILE 213.A O no hydrogen 3.148 N/A LEU 217.A N ILE 213.A O no hydrogen 2.894 N/A GLY 218.A N LEU 214.A O no hydrogen 2.786 N/A SER 219.A N LYS 243.A O no hydrogen 2.925 N/A SER 221.A N ASP 224.A OD2 no hydrogen 3.185 N/A ASP 224.A N SER 221.A OG no hydrogen 3.009 N/A LEU 225.A N SER 221.A O no hydrogen 3.178 N/A LEU 225.A N GLN 222.A O no hydrogen 3.007 N/A ASN 226.A N GLU 223.A O no hydrogen 3.511 N/A ASN 230.A N LEU 177.A O no hydrogen 2.678 N/A ALA 233.A N ASN 230.A OD1 no hydrogen 2.893 N/A ARG 234.A N ASN 230.A O no hydrogen 2.859 N/A ASN 235.A N LEU 231.A O no hydrogen 2.934 N/A TYR 236.A N LYS 232.A O no hydrogen 2.949 N/A TYR 236.A OH ASN 211.A OD1 no hydrogen 3.257 N/A LEU 237.A N ALA 233.A O no hydrogen 2.969 N/A LEU 238.A N ARG 234.A O no hydrogen 2.988 N/A SER 239.A N ASN 235.A O no hydrogen 3.026 N/A SER 239.A N TYR 236.A O no hydrogen 2.943 N/A SER 239.A OG TYR 236.A O no hydrogen 2.628 N/A LEU 240.A N LEU 237.A O no hydrogen 3.370 N/A LYS 243.A N SER 219.A OG no hydrogen 2.783 N/A VAL 246.A N ILE 216.A O no hydrogen 2.779 N/A TRP 248.A NE1 ASP 264.A OD1 no hydrogen 2.813 N/A ARG 250.A N PRO 247.A O no hydrogen 3.040 N/A LEU 251.A N TRP 248.A O no hydrogen 2.994 N/A PHE 252.A N TRP 248.A O no hydrogen 2.790 N/A ALA 255.A N PHE 252.A O no hydrogen 3.285 N/A LYS 258.A N ASP 256.A OD2 no hydrogen 2.955 N/A LEU 260.A N ASP 256.A O no hydrogen 3.166 N/A ASP 261.A N SER 257.A O no hydrogen 3.048 N/A LEU 262.A N LYS 258.A O no hydrogen 3.080 N/A LEU 263.A N ALA 259.A O no hydrogen 2.909 N/A ASP 264.A N LEU 260.A O no hydrogen 2.968 N/A LYS 265.A N ASP 261.A O no hydrogen 3.336 N/A LYS 265.A NZ ASP 261.A OD1 no hydrogen 3.348 N/A LYS 265.A NZ ASP 261.A OD2 no hydrogen 2.958 N/A MET 266.A N LEU 262.A O no hydrogen 2.976 N/A LEU 267.A N LEU 263.A O no hydrogen 2.858 N/A THR 268.A OG1 ASP 264.A O no hydrogen 2.936 N/A THR 268.A OG1 LYS 265.A O no hydrogen 3.338 N/A HIS 272.A N ASN 270.A OD1 no hydrogen 2.954 N/A HIS 272.A ND1 ASN 270.A OD1 no hydrogen 3.031 N/A LYS 273.A N ASN 270.A O no hydrogen 3.113 N/A ARG 274.A N PRO 271.A O no hydrogen 3.348 N/A ARG 274.A NE THR 268.A O no hydrogen 2.953 N/A ARG 274.A NH1 GLU 174.A OE1 no hydrogen 2.875 N/A ARG 274.A NH1 THR 268.A O no hydrogen 2.954 N/A ARG 274.A NH1 PHE 269.A O no hydrogen 3.228 N/A ARG 274.A NH2 GLU 174.A OE1 no hydrogen 3.451 N/A ARG 274.A NH2 GLU 174.A OE2 no hydrogen 2.704 N/A ARG 274.A NH2 SER 181.A O no hydrogen 2.799 N/A ILE 275.A N LYS 265.A O no hydrogen 3.103 N/A ALA 280.A N GLU 276.A O no hydrogen 2.957 N/A LEU 281.A N VAL 277.A O no hydrogen 2.959 N/A ALA 282.A N GLU 278.A O no hydrogen 3.100 N/A HIS 283.A N ALA 280.A O no hydrogen 3.179 N/A HIS 283.A NE2 ASP 261.A OD2 no hydrogen 2.726 N/A TYR 285.A N HIS 283.A ND1 no hydrogen 2.908 N/A TYR 285.A OH ASN 115.A OD1 no hydrogen 2.797 N/A LEU 286.A N HIS 283.A O no hydrogen 2.975 N/A GLU 287.A N PRO 284.A O no hydrogen 3.096 N/A TYR 289.A N LEU 286.A O no hydrogen 2.924 N/A TYR 290.A N LEU 286.A O no hydrogen 2.932 N/A ASP 291.A N GLU 295.A OE2 no hydrogen 3.072 N/A SER 293.A OG ASP 291.A OD1 no hydrogen 2.872 N/A ASP 294.A N ASP 291.A O no hydrogen 2.783 N/A ALA 298.A N SER 134.A OG no hydrogen 2.723 N/A PHE 302.A N ALA 135.A O no hydrogen 2.743 N/A ASP 310.A N GLU 307.A O no hydrogen 3.227 N/A LEU 311.A N LEU 308.A O no hydrogen 3.308 N/A LYS 313.A NZ GLU 314.A OE2 no hydrogen 2.894 N/A LEU 316.A N PRO 312.A O no hydrogen 3.057 N/A LYS 317.A N LYS 313.A O no hydrogen 2.862 N/A LYS 317.A NZ ILE 87.A O no hydrogen 2.897 N/A LYS 317.A NZ MET 90.A O no hydrogen 2.778 N/A GLU 318.A N GLU 314.A O no hydrogen 3.253 N/A LEU 319.A N LYS 315.A O no hydrogen 3.045 N/A ILE 320.A N LEU 316.A O no hydrogen 2.898 N/A PHE 321.A N LYS 317.A O no hydrogen 2.925 N/A GLU 322.A N GLU 318.A O no hydrogen 2.923 N/A GLU 323.A N LEU 319.A O no hydrogen 2.851 N/A THR 324.A N ILE 320.A O no hydrogen 3.024 N/A THR 324.A OG1 ILE 320.A O no hydrogen 2.897 N/A THR 324.A OG1 PHE 321.A O no hydrogen 3.035 N/A ALA 325.A N GLU 322.A O no hydrogen 3.266 N/A PHE 327.A N THR 324.A O no hydrogen 3.109 N/A GLN 328.A N ALA 325.A O no hydrogen 3.056 N/A GLN 328.A NE2 ARG 83.A O no hydrogen 3.556 N/A