Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3lff_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH2 PRO 88.A O no hydrogen 2.825 N/A TYR 5.A N VAL 16.A O no hydrogen 2.868 N/A TYR 5.A OH GLN 7.A OE1 no hydrogen 3.329 N/A TYR 5.A OH TYR 20.A O no hydrogen 2.618 N/A ARG 6.A NH2 GLU 15.A OE1 no hydrogen 2.842 N/A GLN 7.A N TRP 14.A O no hydrogen 2.968 N/A LEU 9.A N THR 12.A O no hydrogen 2.864 N/A THR 12.A N LEU 9.A O no hydrogen 3.175 N/A THR 12.A OG1 LEU 9.A O no hydrogen 3.567 N/A TRP 14.A N GLN 7.A O no hydrogen 2.779 N/A GLU 15.A N TYR 99.A OH no hydrogen 2.903 N/A VAL 16.A N TYR 5.A O no hydrogen 3.050 N/A GLU 18.A N THR 3.A O no hydrogen 2.905 N/A ARG 19.A NE ASP 39.A OD1 no hydrogen 2.924 N/A ARG 19.A NH2 ASP 39.A OD2 no hydrogen 2.874 N/A TYR 20.A N PRO 17.A O no hydrogen 2.971 N/A TYR 20.A OH ASP 84.A OD1 no hydrogen 2.615 N/A GLN 21.A N PHE 38.A O no hydrogen 2.917 N/A SER 24.A N ALA 36.A O no hydrogen 2.836 N/A VAL 26.A N VAL 34.A O no hydrogen 2.865 N/A GLY 29.A N GLY 32.A O no hydrogen 2.882 N/A SER 33.A N LYS 50.A O no hydrogen 3.148 N/A VAL 34.A N GLY 27.A O no hydrogen 2.828 N/A CYS 35.A N VAL 48.A O no hydrogen 2.874 N/A ALA 36.A N SER 24.A O no hydrogen 2.805 N/A ALA 37.A N VAL 46.A O no hydrogen 2.826 N/A PHE 38.A N GLN 21.A O no hydrogen 2.841 N/A ASP 39.A N LEU 44.A O no hydrogen 2.830 N/A THR 40.A N ARG 19.A O no hydrogen 2.889 N/A THR 40.A OG1 ARG 19.A O no hydrogen 2.817 N/A LYS 41.A N ASP 39.A OD1 no hydrogen 3.086 N/A THR 42.A N ASP 39.A O no hydrogen 3.222 N/A THR 42.A OG1 ASP 39.A OD2 no hydrogen 2.704 N/A GLY 43.A N ASP 39.A O no hydrogen 2.754 N/A LEU 44.A N THR 42.A OG1 no hydrogen 3.353 N/A VAL 46.A N ALA 37.A O no hydrogen 2.836 N/A ALA 47.A N THR 102.A O no hydrogen 2.818 N/A VAL 48.A N CYS 35.A O no hydrogen 2.786 N/A LYS 49.A N LEU 100.A O no hydrogen 2.794 N/A LYS 49.A NZ GLU 67.A OE1 no hydrogen 2.970 N/A LYS 49.A NZ GLU 67.A OE2 no hydrogen 2.833 N/A LYS 49.A NZ PHE 165.A O no hydrogen 2.899 N/A LYS 50.A N SER 33.A O no hydrogen 2.984 N/A LYS 50.A NZ THR 12.A OG1 no hydrogen 3.062 N/A LYS 50.A NZ ILE 13.A O no hydrogen 2.741 N/A LEU 51.A N VAL 98.A O no hydrogen 3.095 N/A SER 52.A N TYR 31.A O no hydrogen 2.693 N/A GLN 56.A N ARG 53.A O no hydrogen 3.158 N/A HIS 60.A N SER 57.A OG no hydrogen 3.071 N/A HIS 60.A ND1 ARG 53.A O no hydrogen 2.904 N/A ALA 61.A N SER 57.A O no hydrogen 2.895 N/A LYS 62.A N ILE 58.A O no hydrogen 2.839 N/A LYS 62.A NZ GLU 311.A O no hydrogen 2.805 N/A LYS 62.A NZ ARG 313.A O no hydrogen 2.972 N/A ARG 63.A N ILE 59.A O no hydrogen 2.977 N/A THR 64.A N HIS 60.A O no hydrogen 2.943 N/A THR 64.A OG1 PRO 54.A O no hydrogen 3.434 N/A THR 64.A OG1 HIS 60.A O no hydrogen 2.782 N/A TYR 65.A N ALA 61.A O no hydrogen 3.056 N/A ARG 66.A N LYS 62.A O no hydrogen 2.884 N/A GLU 67.A N ARG 63.A O no hydrogen 2.939 N/A LEU 68.A N THR 64.A O no hydrogen 3.055 N/A ARG 69.A N TYR 65.A O no hydrogen 2.912 N/A ARG 69.A NH1 GLU 327.A OE2 no hydrogen 2.862 N/A LEU 70.A N ARG 66.A O no hydrogen 2.900 N/A LEU 71.A N GLU 67.A O no hydrogen 2.943 N/A LYS 72.A N LEU 68.A O no hydrogen 2.980 N/A LYS 72.A NZ GLU 327.A O no hydrogen 2.765 N/A LYS 72.A NZ GLU 327.A OE1 no hydrogen 2.769 N/A HIS 73.A N ARG 69.A O no hydrogen 3.111 N/A HIS 73.A N LEU 70.A O no hydrogen 3.034 N/A HIS 73.A NE2 ASP 304.A O no hydrogen 2.670 N/A MET 74.A N LEU 70.A O no hydrogen 3.126 N/A LYS 75.A N TYR 136.A OH no hydrogen 2.920 N/A ASN 78.A N HIS 76.A ND1 no hydrogen 2.936 N/A ASN 78.A ND2 GLN 129.A OE1 no hydrogen 3.392 N/A ASN 78.A ND2 LEU 160.A O no hydrogen 3.008 N/A VAL 79.A N HIS 76.A O no hydrogen 3.161 N/A ILE 80.A N ILE 162.A O no hydrogen 2.847 N/A LEU 83.A N VAL 101.A O no hydrogen 2.799 N/A ASP 84.A N VAL 101.A O no hydrogen 3.352 N/A PHE 86.A N TYR 99.A O no hydrogen 3.068 N/A THR 87.A OG1 ASP 97.A O no hydrogen 2.826 N/A ALA 89.A N THR 87.A OG1 no hydrogen 3.255 N/A SER 91.A OG GLU 93.A OE1.B no hydrogen 3.012 N/A GLU 94.A N SER 91.A O no hydrogen 3.292 N/A PHE 95.A N LEU 92.A O no hydrogen 3.137 N/A TYR 99.A N PHE 86.A O no hydrogen 3.042 N/A LEU 100.A N LYS 49.A O no hydrogen 2.860 N/A VAL 101.A N ASP 84.A O no hydrogen 2.839 N/A THR 102.A N ALA 47.A O no hydrogen 2.936 N/A THR 102.A OG1 HIS 103.A O no hydrogen 3.231 N/A LEU 104.A N ARG 45.A O no hydrogen 3.035 N/A ALA 107.A N VAL 154.A O no hydrogen 3.114 N/A LEU 109.A N PRO 149.A O no hydrogen 3.230 N/A LEU 109.A N LEU 152.A O no hydrogen 3.127 N/A ASN 110.A N ASP 108.A OD2 no hydrogen 2.860 N/A LYS 114.A N ASN 111.A O no hydrogen 3.180 N/A LEU 118.A N LEU 199.A O no hydrogen 2.936 N/A HIS 122.A N THR 119.A OG1 no hydrogen 3.071 N/A HIS 122.A NE2 SER 158.A OG no hydrogen 2.701 N/A VAL 123.A N THR 119.A O no hydrogen 3.004 N/A GLN 124.A N ASP 120.A O no hydrogen 2.893 N/A PHE 125.A N ASP 121.A O no hydrogen 3.332 N/A LEU 126.A N HIS 122.A O no hydrogen 2.965 N/A ILE 127.A N VAL 123.A O no hydrogen 2.859 N/A TYR 128.A N GLN 124.A O no hydrogen 2.913 N/A TYR 128.A OH GLU 300.A OE1 no hydrogen 2.633 N/A GLN 129.A N PHE 125.A O no hydrogen 3.192 N/A GLN 129.A NE2 PHE 125.A O no hydrogen 3.163 N/A GLN 129.A NE2 SER 158.A O no hydrogen 2.898 N/A ILE 130.A N LEU 126.A O no hydrogen 3.029 N/A LEU 131.A N ILE 127.A O no hydrogen 2.884 N/A ARG 132.A N TYR 128.A O no hydrogen 2.875 N/A ARG 132.A NE ASP 299.A O no hydrogen 2.809 N/A ARG 132.A NH1 GLU 77.A OE2 no hydrogen 2.954 N/A ARG 132.A NH1 ASN 78.A OD1 no hydrogen 2.854 N/A ARG 132.A NH2 GLU 77.A OE1 no hydrogen 3.224 N/A ARG 132.A NH2 GLU 77.A OE2 no hydrogen 3.357 N/A ARG 132.A NH2 ASP 299.A O no hydrogen 3.104 N/A ARG 132.A NH2 ASP 299.A OD2 no hydrogen 3.245 N/A GLY 133.A N GLN 129.A O no hydrogen 2.962 N/A LEU 134.A N ILE 130.A O no hydrogen 2.798 N/A LYS 135.A N LEU 131.A O no hydrogen 2.813 N/A LYS 135.A NZ GLU 300.A O no hydrogen 2.760 N/A TYR 136.A N ARG 132.A O no hydrogen 3.332 N/A ILE 137.A N GLY 133.A O no hydrogen 2.954 N/A HIS 138.A N LEU 134.A O no hydrogen 2.808 N/A HIS 138.A NE2 ASP 188.A OD1 no hydrogen 2.809 N/A SER 139.A N LYS 135.A O no hydrogen 2.970 N/A SER 139.A OG LYS 135.A O no hydrogen 3.458 N/A SER 139.A OG TYR 136.A O no hydrogen 2.630 N/A ALA 140.A N TYR 136.A O no hydrogen 3.325 N/A ALA 140.A N ILE 137.A O no hydrogen 3.083 N/A ASP 141.A N HIS 138.A O no hydrogen 2.896 N/A ILE 142.A N ILE 137.A O no hydrogen 3.356 N/A HIS 144.A N ASP 188.A OD1 no hydrogen 2.875 N/A HIS 144.A NE2 LEU 163.A O no hydrogen 2.826 N/A ARG 145.A N ASP 188.A OD2 no hydrogen 2.878 N/A ARG 145.A NE TYR 183.A OH no hydrogen 3.156 N/A ASP 146.A N HIS 144.A ND1 no hydrogen 3.053 N/A LYS 148.A NZ ASP 146.A OD2 no hydrogen 3.100 N/A ASN 151.A N LYS 148.A O no hydrogen 2.897 N/A ASN 151.A ND2 SER 150.A O no hydrogen 3.688 N/A LEU 152.A N PRO 149.A O no hydrogen 3.114 N/A ALA 153.A N LYS 161.A O no hydrogen 2.909 N/A VAL 154.A N ALA 107.A O no hydrogen 2.828 N/A ASN 155.A N GLU 159.A O no hydrogen 3.089 N/A ASN 155.A ND2 GLU 159.A OE2 no hydrogen 2.872 N/A ASP 157.A N ASN 155.A OD1 no hydrogen 2.969 N/A SER 158.A N ASN 155.A O no hydrogen 2.998 N/A SER 158.A OG HIS 122.A NE2 no hydrogen 2.701 N/A GLU 159.A N ASN 155.A OD1 no hydrogen 3.006 N/A LEU 160.A N GLN 129.A OE1 no hydrogen 2.909 N/A LYS 161.A N ALA 153.A O no hydrogen 2.825 N/A LYS 161.A NZ GLU 77.A O no hydrogen 2.938 N/A ILE 162.A N ASN 78.A O no hydrogen 2.857 N/A LEU 163.A N ASN 151.A O no hydrogen 2.924 N/A GLY 166.A N ASP 164.A OD1 no hydrogen 3.129 N/A TRP 170.A N ALA 167.A O no hydrogen 3.235 N/A TRP 170.A NE1 GLY 208.A O no hydrogen 2.919 N/A TYR 171.A OH GLU 198.A OE1 no hydrogen 2.637 N/A TYR 171.A OH GLU 198.A OE2 no hydrogen 3.398 N/A ARG 172.A N ARG 169.A O no hydrogen 3.186 N/A GLU 175.A N GLU 175.A OE2 no hydrogen 2.785 N/A ILE 176.A N ALA 173.A O no hydrogen 3.160 N/A MET 177.A N ALA 173.A O no hydrogen 3.500 N/A ASN 179.A N ILE 176.A O no hydrogen 3.452 N/A TRP 180.A N GLU 175.A O no hydrogen 3.258 N/A VAL 187.A N ASN 184.A O no hydrogen 3.135 N/A ASP 188.A N GLN 185.A O no hydrogen 3.002 N/A ILE 189.A N THR 186.A O no hydrogen 3.150 N/A TRP 190.A N THR 186.A O no hydrogen 3.457 N/A SER 191.A N VAL 187.A O no hydrogen 3.396 N/A SER 191.A OG TYR 171.A O no hydrogen 2.669 N/A SER 191.A OG VAL 187.A O no hydrogen 3.471 N/A VAL 192.A N ASP 188.A O no hydrogen 2.963 N/A GLY 193.A N ILE 189.A O no hydrogen 2.969 N/A CYS 194.A N TRP 190.A O no hydrogen 3.064 N/A CYS 194.A SG TRP 170.A O no hydrogen 3.951 N/A CYS 194.A SG TRP 190.A O no hydrogen 3.544 N/A ILE 195.A N SER 191.A O no hydrogen 2.950 N/A MET 196.A N VAL 192.A O no hydrogen 2.796 N/A ALA 197.A N GLY 193.A O no hydrogen 2.941 N/A GLU 198.A N CYS 194.A O no hydrogen 3.191 N/A LEU 199.A N ILE 195.A O no hydrogen 3.002 N/A LEU 200.A N MET 196.A O no hydrogen 3.079 N/A THR 201.A N ALA 197.A O no hydrogen 2.984 N/A THR 201.A OG1 ALA 197.A O no hydrogen 3.123 N/A GLY 202.A N GLU 198.A O no hydrogen 2.766 N/A ARG 203.A N THR 201.A OG1 no hydrogen 3.168 N/A GLY 208.A N PHE 206.A O no hydrogen 2.907 N/A GLY 208.A N GLN 214.A OE1 no hydrogen 3.026 N/A THR 209.A N ASP 213.A OD1 no hydrogen 2.886 N/A HIS 211.A NE2 MET 177.A O no hydrogen 3.129 N/A ASP 213.A N ASP 210.A OD2 no hydrogen 2.904 N/A GLN 214.A N ASP 210.A O no hydrogen 2.973 N/A GLN 214.A NE2 TRP 170.A O no hydrogen 3.517 N/A GLN 214.A NE2 PHE 206.A O no hydrogen 2.934 N/A LEU 215.A N HIS 211.A O no hydrogen 3.224 N/A LYS 216.A N ILE 212.A O no hydrogen 2.901 N/A LEU 217.A N ASP 213.A O no hydrogen 2.911 N/A ILE 218.A N GLN 214.A O no hydrogen 3.069 N/A LEU 219.A N LEU 215.A O no hydrogen 2.943 N/A ARG 220.A N LYS 216.A O no hydrogen 2.967 N/A LEU 221.A N LEU 217.A O no hydrogen 3.339 N/A LEU 221.A N ILE 218.A O no hydrogen 3.153 N/A VAL 222.A N ILE 218.A O no hydrogen 3.069 N/A GLY 223.A N LEU 219.A O no hydrogen 2.889 N/A LEU 230.A N GLY 226.A O no hydrogen 2.879 N/A LYS 231.A N ALA 227.A O no hydrogen 3.357 N/A LYS 232.A N LEU 229.A O no hydrogen 2.874 N/A LYS 232.A NZ ASP 275.A OD1 no hydrogen 3.142 N/A LYS 232.A NZ ASP 275.A OD2 no hydrogen 2.885 N/A LYS 232.A NZ ASP 277.A OD1 no hydrogen 2.619 N/A ILE 233.A N LEU 230.A O no hydrogen 3.104 N/A SER 237.A OG SER 235.A OG no hydrogen 2.989 N/A ALA 238.A N SER 235.A OG no hydrogen 3.075 N/A ARG 239.A N SER 235.A O no hydrogen 3.025 N/A ARG 239.A NE ILE 233.A O no hydrogen 2.903 N/A ARG 239.A NH1 GLU 236.A OE2 no hydrogen 2.814 N/A ARG 239.A NH2 SER 234.A O no hydrogen 3.220 N/A ARG 239.A NH2 GLU 236.A OE2 no hydrogen 3.064 N/A ASN 240.A N GLU 236.A O no hydrogen 2.947 N/A TYR 241.A N SER 237.A O no hydrogen 2.910 N/A ILE 242.A N ALA 238.A O no hydrogen 2.942 N/A GLN 243.A N ARG 239.A O no hydrogen 3.236 N/A GLN 243.A NE2 ARG 239.A O no hydrogen 2.754 N/A SER 244.A N TYR 241.A O no hydrogen 3.015 N/A SER 244.A OG ASN 240.A O no hydrogen 3.558 N/A SER 244.A OG TYR 241.A O no hydrogen 3.442 N/A LEU 245.A N ILE 242.A O no hydrogen 2.902 N/A ASN 252.A ND2 ASN 255.A OD1 no hydrogen 2.848 N/A ASN 255.A N ASN 252.A O no hydrogen 2.905 N/A VAL 256.A N PHE 253.A O no hydrogen 3.178 N/A PHE 257.A N ALA 254.A O no hydrogen 2.985 N/A ALA 260.A N PHE 257.A O no hydrogen 3.179 N/A ASN 261.A ND2 ASP 120.A OD2 no hydrogen 2.910 N/A LEU 263.A N ASN 261.A OD1 no hydrogen 2.957 N/A VAL 265.A N ASN 261.A O no hydrogen 3.151 N/A ASP 266.A N PRO 262.A O no hydrogen 2.913 N/A LEU 267.A N LEU 263.A O no hydrogen 3.031 N/A LEU 268.A N ALA 264.A O no hydrogen 2.947 N/A GLU 269.A N VAL 265.A O no hydrogen 2.933 N/A LYS 270.A N ASP 266.A O no hydrogen 3.241 N/A LYS 270.A N LEU 267.A O no hydrogen 2.992 N/A LYS 270.A NZ ASP 266.A OD2 no hydrogen 2.798 N/A MET 271.A N LEU 267.A O no hydrogen 3.020 N/A MET 271.A N LEU 268.A O no hydrogen 3.145 N/A LEU 272.A N LEU 268.A O no hydrogen 2.900 N/A ASP 277.A N ASP 275.A OD1 no hydrogen 3.230 N/A LYS 278.A N ASP 275.A O no hydrogen 2.943 N/A LYS 278.A NZ GLU 228.A OE1 no hydrogen 3.320 N/A ARG 279.A N SER 276.A O no hydrogen 3.274 N/A ARG 279.A NE VAL 273.A O no hydrogen 2.728 N/A ARG 279.A NH1 GLU 175.A OE1 no hydrogen 2.769 N/A ARG 279.A NH1 THR 186.A O no hydrogen 3.141 N/A ARG 279.A NH2 GLU 175.A OE2 no hydrogen 2.913 N/A ARG 279.A NH2 VAL 273.A O no hydrogen 3.431 N/A ARG 279.A NH2 LEU 274.A O no hydrogen 3.013 N/A ILE 280.A N LYS 270.A O no hydrogen 2.985 N/A THR 281.A N GLN 284.A OE1 no hydrogen 3.044 N/A GLN 284.A N THR 281.A OG1 no hydrogen 3.114 N/A ALA 285.A N THR 281.A O no hydrogen 2.896 N/A LEU 286.A N ALA 282.A O no hydrogen 3.025 N/A ALA 287.A N GLN 284.A O no hydrogen 3.094 N/A HIS 288.A N ALA 285.A O no hydrogen 2.980 N/A HIS 288.A NE2 ASP 266.A OD2 no hydrogen 2.779 N/A TYR 290.A N HIS 288.A ND1 no hydrogen 3.004 N/A TYR 290.A OH ASP 120.A OD1 no hydrogen 2.728 N/A PHE 291.A N HIS 288.A O no hydrogen 2.999 N/A ALA 292.A N ALA 289.A O no hydrogen 3.152 N/A TYR 294.A N PHE 291.A O no hydrogen 2.806 N/A HIS 295.A N PHE 291.A O no hydrogen 2.828 N/A HIS 295.A ND1 GLU 300.A OE1 no hydrogen 2.761 N/A ASP 296.A N GLU 300.A OE1 no hydrogen 3.165 N/A ASP 298.A N ASP 296.A OD1 no hydrogen 2.922 N/A ASP 299.A N ASP 296.A O no hydrogen 2.922 N/A ALA 303.A N SER 139.A OG no hydrogen 2.713 N/A SER 309.A N ASP 307.A OD1 no hydrogen 3.195 N/A SER 309.A OG ASP 307.A OD1 no hydrogen 2.613 N/A GLU 311.A N GLN 308.A O no hydrogen 3.113 N/A SER 312.A N SER 309.A O no hydrogen 3.182 N/A SER 312.A OG SER 309.A O no hydrogen 3.047 N/A ARG 313.A N LEU 310.A O no hydrogen 3.348 N/A ARG 313.A NE SER 309.A O no hydrogen 2.792 N/A ARG 313.A NH2 SER 312.A OG no hydrogen 2.738 N/A GLU 319.A N LEU 316.A O no hydrogen 3.032 N/A TRP 320.A N LEU 316.A O no hydrogen 3.151 N/A LYS 321.A N ILE 317.A O no hydrogen 2.804 N/A LYS 321.A NZ PHE 95.A O no hydrogen 2.924 N/A SER 322.A N ASP 318.A O no hydrogen 3.003 N/A LEU 323.A N GLU 319.A O no hydrogen 2.920 N/A THR 324.A N TRP 320.A O no hydrogen 2.895 N/A THR 324.A OG1 TRP 320.A O no hydrogen 2.764 N/A TYR 325.A N LYS 321.A O no hydrogen 2.857 N/A ASP 326.A N SER 322.A O no hydrogen 3.046 N/A GLU 327.A N LEU 323.A O no hydrogen 3.260 N/A VAL 328.A N THR 324.A O no hydrogen 2.965 N/A ILE 329.A N TYR 325.A O no hydrogen 3.076 N/A SER 330.A N ASP 326.A O no hydrogen 3.152 N/A SER 330.A OG ASP 326.A O no hydrogen 3.090 N/A SER 330.A OG GLU 327.A O no hydrogen 3.427 N/A PHE 331.A N VAL 328.A O no hydrogen 3.287 N/A