Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bwj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A N SER 1.A O no hydrogen 3.385 N/A VAL 6.A N GLN 3.A O no hydrogen 3.245 N/A GLU 8.A N GLU 4.A O no hydrogen 2.960 N/A PHE 9.A N SER 5.A O no hydrogen 3.120 N/A LEU 10.A N VAL 6.A O no hydrogen 2.908 N/A ALA 11.A N LYS 7.A O no hydrogen 2.873 N/A LYS 12.A N GLU 8.A O no hydrogen 3.155 N/A LYS 12.A NZ ASP 16.A OD1 no hydrogen 3.191 N/A ALA 13.A N PHE 9.A O no hydrogen 2.998 N/A LYS 14.A N LEU 10.A O no hydrogen 3.081 N/A GLU 15.A N ALA 11.A O no hydrogen 3.045 N/A ASP 16.A N LYS 12.A O no hydrogen 2.910 N/A PHE 17.A N ALA 13.A O no hydrogen 2.941 N/A LEU 18.A N LYS 14.A O no hydrogen 2.936 N/A LYS 19.A N GLU 15.A O no hydrogen 3.116 N/A LYS 20.A N ASP 16.A O no hydrogen 3.131 N/A TRP 21.A N PHE 17.A O no hydrogen 2.777 N/A GLU 22.A N LEU 18.A O no hydrogen 3.003 N/A GLU 22.A N LYS 19.A O no hydrogen 3.108 N/A ASN 23.A N LYS 19.A O no hydrogen 2.957 N/A ASN 23.A ND2 LYS 19.A O no hydrogen 3.181 N/A THR 28.A N SER 100.A O no hydrogen 3.347 N/A THR 28.A OG1 SER 100.A O no hydrogen 2.927 N/A ASP 32.A N HIS 30.A ND1 no hydrogen 3.064 N/A GLN 33.A N HIS 30.A O no hydrogen 3.196 N/A PHE 34.A N LEU 31.A O no hydrogen 3.112 N/A GLU 35.A N LYS 52.A O no hydrogen 2.810 N/A ILE 37.A N LEU 50.A O no hydrogen 2.760 N/A LYS 38.A N LEU 50.A O no hydrogen 3.481 N/A LYS 38.A NZ ASP 318.A OD1 no hydrogen 2.592 N/A THR 39.A N GLU 321.A OE2 no hydrogen 2.938 N/A THR 39.A OG1 GLU 321.A OE1 no hydrogen 2.665 N/A LEU 40.A N VAL 48.A O no hydrogen 2.795 N/A GLY 41.A N VAL 48.A O no hydrogen 3.305 N/A ARG 47.A N ILE 64.A O no hydrogen 2.767 N/A ARG 47.A NH2 THR 39.A OG1 no hydrogen 3.067 N/A ARG 47.A NH2 GLU 320.A O no hydrogen 2.729 N/A VAL 48.A N GLY 41.A O no hydrogen 2.925 N/A MET 49.A N MET 62.A O no hydrogen 2.848 N/A LEU 50.A N LYS 38.A O no hydrogen 2.761 N/A VAL 51.A N TYR 60.A O no hydrogen 2.792 N/A LYS 52.A N GLU 35.A O no hydrogen 2.748 N/A LYS 52.A NZ GLU 35.A OE2 no hydrogen 3.511 N/A HIS 53.A N ASN 58.A O no hydrogen 2.724 N/A MET 54.A N GLN 33.A O no hydrogen 3.056 N/A GLY 57.A N HIS 53.A O no hydrogen 2.656 N/A ASN 58.A N THR 56.A OG1 no hydrogen 3.243 N/A TYR 60.A N VAL 51.A O no hydrogen 2.934 N/A ALA 61.A N MET 111.A O no hydrogen 2.862 N/A MET 62.A N MET 49.A O no hydrogen 2.770 N/A LYS 63.A N MET 109.A O no hydrogen 2.824 N/A LYS 63.A NZ GLU 82.A OE1 no hydrogen 3.163 N/A LYS 63.A NZ GLU 82.A OE2 no hydrogen 2.720 N/A LYS 63.A NZ ASP 174.A OD1 no hydrogen 3.527 N/A ILE 64.A N ARG 47.A O no hydrogen 2.682 N/A LEU 65.A N LEU 107.A O no hydrogen 3.128 N/A ASP 66.A N PHE 45.A O no hydrogen 2.680 N/A LYS 67.A N SER 105.A O no hydrogen 3.053 N/A LYS 67.A NZ ASP 103.A O no hydrogen 2.786 N/A LYS 67.A NZ LYS 330.A O no hydrogen 2.945 N/A GLN 68.A N ASP 66.A OD2 no hydrogen 3.019 N/A VAL 70.A N ASP 66.A O no hydrogen 3.012 N/A VAL 71.A N LYS 67.A O no hydrogen 3.252 N/A LYS 72.A N GLN 68.A O no hydrogen 3.137 N/A LEU 73.A N LYS 69.A O no hydrogen 2.874 N/A LYS 74.A N VAL 71.A O no hydrogen 3.025 N/A GLN 75.A N VAL 70.A O no hydrogen 2.788 N/A GLN 75.A NE2 LEU 73.A O no hydrogen 3.103 N/A HIS 78.A ND1 GLN 75.A OE1 no hydrogen 2.671 N/A THR 79.A N GLN 75.A O no hydrogen 2.819 N/A THR 79.A OG1 GLN 75.A O no hydrogen 2.628 N/A LEU 80.A N ILE 76.A O no hydrogen 2.878 N/A ASN 81.A N GLU 77.A O no hydrogen 2.808 N/A ASN 81.A ND2 ALA 178.A O no hydrogen 3.615 N/A GLU 82.A N HIS 78.A O no hydrogen 2.993 N/A LYS 83.A N THR 79.A O no hydrogen 3.423 N/A LYS 83.A NZ PHE 338.A OXT no hydrogen 2.181 N/A ARG 84.A N LEU 80.A O no hydrogen 3.220 N/A ILE 85.A N ASN 81.A O no hydrogen 2.816 N/A LEU 86.A N GLU 82.A O no hydrogen 2.939 N/A GLN 87.A N LYS 83.A O no hydrogen 2.984 N/A GLN 87.A NE2 LYS 20.A O no hydrogen 3.455 N/A GLN 87.A NE2 ARG 84.A O no hydrogen 2.609 N/A ALA 88.A N ILE 85.A O no hydrogen 2.949 N/A VAL 89.A N ILE 85.A O no hydrogen 3.103 N/A ASN 90.A N TYR 146.A OH no hydrogen 2.962 N/A LEU 94.A N PHE 91.A O no hydrogen 3.158 N/A VAL 95.A N VAL 172.A O no hydrogen 3.058 N/A GLU 98.A N VAL 110.A O no hydrogen 2.757 N/A PHE 99.A N VAL 110.A O no hydrogen 3.120 N/A SER 100.A N THR 28.A OG1 no hydrogen 2.617 N/A PHE 101.A N TYR 108.A O no hydrogen 3.166 N/A LYS 102.A NZ PHE 335.A O no hydrogen 2.769 N/A LYS 102.A NZ PHE 338.A O no hydrogen 2.588 N/A ASP 103.A N ASN 106.A O no hydrogen 2.995 N/A SER 105.A N ASP 103.A OD1 no hydrogen 2.942 N/A ASN 106.A N ASP 103.A OD1 no hydrogen 2.947 N/A ASN 106.A ND2 TYR 108.A OH no hydrogen 2.859 N/A ASN 106.A ND2 ARG 325.A O no hydrogen 3.658 N/A LEU 107.A N LEU 65.A O no hydrogen 3.171 N/A TYR 108.A N PHE 101.A O no hydrogen 2.788 N/A TYR 108.A OH ASP 103.A OD2 no hydrogen 2.462 N/A MET 109.A N LYS 63.A O no hydrogen 3.004 N/A VAL 110.A N PHE 99.A O no hydrogen 2.776 N/A MET 111.A N ALA 61.A O no hydrogen 2.668 N/A GLU 112.A N LYS 96.A O no hydrogen 2.911 N/A TYR 113.A OH ASP 312.A O no hydrogen 2.664 N/A MET 119.A N LEU 162.A O no hydrogen 2.642 N/A PHE 120.A N PRO 159.A O no hydrogen 3.297 N/A HIS 122.A NE2 GLY 116.A O no hydrogen 2.619 N/A LEU 123.A N MET 119.A O no hydrogen 2.849 N/A ARG 124.A N PHE 120.A O no hydrogen 2.921 N/A ARG 124.A NH1 GLU 219.A OE2 no hydrogen 2.973 N/A ARG 124.A NH2 GLU 219.A OE2 no hydrogen 2.788 N/A ARG 125.A N SER 121.A O no hydrogen 2.895 N/A ILE 126.A N HIS 122.A O no hydrogen 3.035 N/A GLY 127.A N LEU 123.A O no hydrogen 3.149 N/A PHE 129.A N MET 220.A O no hydrogen 2.730 N/A HIS 132.A NE2 TYR 136.A OH no hydrogen 3.003 N/A ARG 134.A N GLU 130.A O no hydrogen 2.872 N/A ARG 134.A NE TRP 285.A O no hydrogen 2.568 N/A PHE 135.A N PRO 131.A O no hydrogen 3.013 N/A TYR 136.A OH HIS 132.A NE2 no hydrogen 3.003 N/A ALA 137.A N ALA 133.A O no hydrogen 2.820 N/A ALA 138.A N ARG 134.A O no hydrogen 2.800 N/A GLN 139.A NE2 PHE 135.A O no hydrogen 3.205 N/A ILE 140.A N TYR 136.A O no hydrogen 3.272 N/A VAL 141.A N ALA 137.A O no hydrogen 2.930 N/A LEU 142.A N ALA 138.A O no hydrogen 3.115 N/A THR 143.A N GLN 139.A O no hydrogen 2.960 N/A THR 143.A OG1 GLN 139.A O no hydrogen 2.641 N/A PHE 144.A N ILE 140.A O no hydrogen 2.921 N/A GLU 145.A N VAL 141.A O no hydrogen 3.035 N/A TYR 146.A N LEU 142.A O no hydrogen 3.093 N/A LEU 147.A N THR 143.A O no hydrogen 3.016 N/A HIS 148.A N PHE 144.A O no hydrogen 2.770 N/A HIS 148.A ND1 LEU 152.A O no hydrogen 2.994 N/A SER 149.A N GLU 145.A O no hydrogen 3.048 N/A SER 149.A OG TYR 146.A O no hydrogen 2.686 N/A LEU 150.A N LEU 147.A O no hydrogen 3.033 N/A ASP 151.A N HIS 148.A O no hydrogen 3.028 N/A LEU 152.A N LEU 147.A O no hydrogen 2.789 N/A ILE 153.A N LYS 179.A O no hydrogen 2.862 N/A TYR 154.A N ASP 209.A OD2 no hydrogen 2.897 N/A TYR 154.A OH THR 173.A O no hydrogen 2.808 N/A TYR 154.A OH ASP 174.A O no hydrogen 3.282 N/A ARG 155.A N ASP 209.A OD1 no hydrogen 2.995 N/A ARG 155.A NE PHE 177.A O no hydrogen 2.601 N/A ARG 155.A NH1 TYR 204.A OH no hydrogen 3.049 N/A ARG 155.A NH2 PHE 177.A O no hydrogen 2.794 N/A LYS 158.A NZ THR 190.A OG1 no hydrogen 3.135 N/A GLU 160.A N GLU 160.A OE1 no hydrogen 2.788 N/A ASN 161.A N LYS 158.A O no hydrogen 3.003 N/A ASN 161.A ND2 ASP 156.A O no hydrogen 2.836 N/A ASN 161.A ND2 ASP 156.A OD2 no hydrogen 3.120 N/A LEU 162.A N PRO 159.A O no hydrogen 3.162 N/A LEU 163.A N GLN 171.A O no hydrogen 2.992 N/A ILE 164.A N GLY 117.A O no hydrogen 2.925 N/A ASP 165.A N TYR 169.A O no hydrogen 2.749 N/A GLN 167.A N ASP 165.A OD1 no hydrogen 2.929 N/A GLY 168.A N ASP 165.A O no hydrogen 2.908 N/A TYR 169.A N ASP 165.A OD1 no hydrogen 2.950 N/A TYR 169.A OH VAL 299.A O no hydrogen 2.623 N/A ILE 170.A N GLN 139.A OE1 no hydrogen 2.837 N/A GLN 171.A N LEU 163.A O no hydrogen 2.797 N/A GLN 171.A NE2 PRO 92.A O no hydrogen 2.963 N/A GLN 171.A NE2 ILE 170.A O no hydrogen 3.313 N/A VAL 172.A N PHE 93.A O no hydrogen 2.671 N/A THR 173.A N ASN 161.A O no hydrogen 2.867 N/A PHE 175.A N GLU 82.A OE2 no hydrogen 2.996 N/A GLY 176.A N ASP 174.A OD1 no hydrogen 2.964 N/A ALA 178.A N PHE 175.A O no hydrogen 3.155 N/A LYS 179.A N ILE 153.A O no hydrogen 2.998 N/A LYS 179.A NZ THR 185.A OG1 no hydrogen 2.989 N/A ARG 180.A NE LEU 150.A O no hydrogen 2.683 N/A ARG 180.A NH2 ASP 151.A OD2 no hydrogen 3.371 N/A VAL 181.A N ASP 151.A O no hydrogen 2.780 N/A THR 185.A N TYR 204.A O no hydrogen 2.860 N/A THR 190.A OG1 ASP 156.A OD1 no hydrogen 3.398 N/A GLU 192.A N GLU 192.A OE1 no hydrogen 2.783 N/A TYR 193.A N THR 190.A O no hydrogen 2.747 N/A TYR 193.A OH GLU 219.A OE1 no hydrogen 2.526 N/A LEU 194.A N THR 190.A O no hydrogen 3.188 N/A LEU 194.A N PRO 191.A O no hydrogen 3.404 N/A GLU 197.A N GLU 197.A OE1 no hydrogen 2.929 N/A ILE 198.A N ALA 195.A O no hydrogen 3.042 N/A ILE 199.A N ALA 195.A O no hydrogen 3.410 N/A LEU 200.A N PRO 196.A O no hydrogen 2.983 N/A SER 201.A N ILE 198.A O no hydrogen 3.061 N/A LYS 202.A N GLU 197.A O no hydrogen 3.046 N/A TYR 204.A N THR 185.A O no hydrogen 2.976 N/A ASN 205.A ND2 ASN 272.A OD1 no hydrogen 3.693 N/A ALA 207.A N ASN 205.A OD1 no hydrogen 3.067 N/A VAL 208.A N ASN 205.A O no hydrogen 3.101 N/A ASP 209.A N LYS 206.A O no hydrogen 2.946 N/A TRP 210.A N ALA 207.A O no hydrogen 3.292 N/A TRP 211.A N ALA 207.A O no hydrogen 3.274 N/A ALA 212.A N VAL 208.A O no hydrogen 3.119 N/A LEU 213.A N ASP 209.A O no hydrogen 2.967 N/A GLY 214.A N TRP 210.A O no hydrogen 3.163 N/A VAL 215.A N TRP 211.A O no hydrogen 3.025 N/A LEU 216.A N ALA 212.A O no hydrogen 2.853 N/A ILE 217.A N LEU 213.A O no hydrogen 2.889 N/A TYR 218.A N GLY 214.A O no hydrogen 3.065 N/A TYR 218.A OH ARG 245.A O no hydrogen 2.499 N/A GLU 219.A N VAL 215.A O no hydrogen 2.864 N/A MET 220.A N LEU 216.A O no hydrogen 2.805 N/A ALA 221.A N ILE 217.A O no hydrogen 3.029 N/A ALA 222.A N TYR 218.A O no hydrogen 2.794 N/A GLY 223.A N GLU 219.A O no hydrogen 2.719 N/A GLN 234.A N GLN 231.A O no hydrogen 3.008 N/A ILE 235.A N GLN 231.A O no hydrogen 3.279 N/A TYR 236.A N PRO 232.A O no hydrogen 2.865 N/A GLU 237.A N ILE 233.A O no hydrogen 3.304 N/A LYS 238.A N GLN 234.A O no hydrogen 3.211 N/A LYS 238.A NZ PHE 228.A O no hydrogen 2.982 N/A ILE 239.A N ILE 235.A O no hydrogen 3.032 N/A VAL 240.A N TYR 236.A O no hydrogen 3.132 N/A SER 241.A N GLU 237.A O no hydrogen 3.480 N/A SER 241.A OG LYS 238.A O no hydrogen 3.128 N/A GLY 242.A N LYS 238.A O no hydrogen 3.177 N/A PHE 250.A N PRO 247.A O no hydrogen 3.118 N/A SER 251.A N GLU 130.A OE2 no hydrogen 2.813 N/A SER 251.A OG GLU 130.A OE1 no hydrogen 2.632 N/A LEU 254.A N SER 251.A OG no hydrogen 3.179 N/A LYS 255.A N SER 251.A O no hydrogen 3.124 N/A ASP 256.A N SER 252.A O no hydrogen 2.935 N/A LEU 257.A N ASP 253.A O no hydrogen 2.958 N/A LEU 258.A N LEU 254.A O no hydrogen 2.835 N/A ARG 259.A N LYS 255.A O no hydrogen 2.830 N/A ASN 260.A N ASP 256.A O no hydrogen 3.233 N/A ASN 260.A N LEU 257.A O no hydrogen 3.010 N/A LEU 261.A N LEU 257.A O no hydrogen 3.037 N/A LEU 262.A N LEU 258.A O no hydrogen 2.839 N/A ASP 265.A N GLN 263.A OE1 no hydrogen 3.066 N/A THR 267.A N ASP 265.A OD1 no hydrogen 3.318 N/A THR 267.A OG1 ASP 265.A OD1 no hydrogen 3.025 N/A LYS 268.A N ASP 265.A O no hydrogen 2.976 N/A ARG 269.A N ASP 265.A O no hydrogen 3.143 N/A ARG 269.A NE GLN 263.A O no hydrogen 3.001 N/A ARG 269.A NH1 GLU 197.A OE2 no hydrogen 2.656 N/A ARG 269.A NH1 ALA 207.A O no hydrogen 2.848 N/A ARG 269.A NH2 GLU 197.A OE1 no hydrogen 2.787 N/A ARG 269.A NH2 GLU 197.A OE2 no hydrogen 3.217 N/A ARG 269.A NH2 GLN 263.A O no hydrogen 3.113 N/A PHE 270.A N ASN 260.A O no hydrogen 2.914 N/A ASN 272.A N ARG 269.A O no hydrogen 3.041 N/A ASN 272.A ND2 LEU 266.A O no hydrogen 2.859 N/A GLY 276.A N LEU 273.A O no hydrogen 3.393 N/A ASN 278.A N ASN 275.A O no hydrogen 3.195 N/A ILE 280.A N VAL 277.A O no hydrogen 3.028 N/A LYS 281.A N VAL 277.A O no hydrogen 3.039 N/A LYS 281.A NZ GLU 145.A OE1 no hydrogen 2.675 N/A ASN 282.A N ASN 278.A O no hydrogen 2.913 N/A HIS 283.A N ILE 280.A O no hydrogen 3.287 N/A HIS 283.A NE2 ASP 256.A OD2 no hydrogen 2.580 N/A TRP 285.A N HIS 283.A ND1 no hydrogen 3.039 N/A TRP 285.A NE1 GLU 130.A OE1 no hydrogen 3.050 N/A PHE 286.A N HIS 283.A O no hydrogen 3.043 N/A ALA 287.A N LYS 284.A O no hydrogen 3.217 N/A THR 289.A N PHE 286.A O no hydrogen 2.985 N/A ILE 294.A N ASP 290.A O no hydrogen 3.065 N/A TYR 295.A N TRP 291.A O no hydrogen 3.065 N/A GLN 296.A N ILE 292.A O no hydrogen 2.896 N/A ARG 297.A N ILE 294.A O no hydrogen 2.872 N/A ARG 297.A NH1 ASP 165.A OD2 no hydrogen 2.735 N/A LYS 298.A N ALA 293.A O no hydrogen 2.610 N/A ASP 312.A N GLY 309.A O no hydrogen 3.238 N/A SER 314.A N ASP 312.A OD2 no hydrogen 3.358 N/A SER 314.A OG ASP 312.A OD2 no hydrogen 2.705 N/A ASN 315.A ND2 PRO 115.A O no hydrogen 3.152 N/A ASN 315.A ND2 LYS 306.A O no hydrogen 2.899 N/A PHE 316.A N THR 313.A O no hydrogen 2.959 N/A LYS 330.A N ASN 104.A O no hydrogen 2.979 N/A GLU 334.A N GLU 334.A OE1 no hydrogen 2.306 N/A PHE 335.A N CYS 331.A O no hydrogen 3.386 N/A SER 336.A N LYS 333.A O no hydrogen 3.341 N/A PHE 338.A N PHE 335.A O no hydrogen 3.117 N/A