Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2wj6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A OH ASP 50.A OD1 no hydrogen 3.292 N/A TYR 4.A OH ASP 50.A OD2 no hydrogen 2.505 N/A HIS 6.A N TYR 17.A O no hydrogen 2.740 N/A THR 8.A N LEU 15.A O no hydrogen 2.928 N/A THR 8.A OG1 LEU 9.A O no hydrogen 3.550 N/A THR 8.A OG1 GLN 88.A OE1 no hydrogen 2.748 N/A VAL 10.A N ASN 13.A O no hydrogen 2.619 N/A ASN 13.A N VAL 10.A O no hydrogen 2.897 N/A LEU 15.A N THR 8.A O no hydrogen 2.813 N/A TYR 17.A N HIS 6.A O no hydrogen 2.898 N/A ILE 18.A N VAL 57.A O no hydrogen 2.781 N/A ASP 19.A N TYR 4.A O no hydrogen 2.987 N/A ASN 20.A N VAL 55.A O no hydrogen 3.176 N/A ASN 20.A ND2 ASP 50.A OD1 no hydrogen 2.783 N/A ASN 20.A ND2 PHE 53.A O no hydrogen 2.980 N/A GLN 21.A N ASP 19.A OD1 no hydrogen 2.813 N/A ARG 22.A N ASN 20.A OD1 no hydrogen 3.266 N/A ARG 22.A NE ASP 50.A O no hydrogen 2.815 N/A ARG 22.A NH1 ASP 50.A O no hydrogen 3.398 N/A ARG 22.A NH1 ASP 50.A OD1 no hydrogen 2.626 N/A ALA 28.A N THR 93.A O no hydrogen 3.125 N/A ILE 29.A N ARG 54.A O no hydrogen 2.807 N/A LEU 30.A N LEU 95.A O no hydrogen 3.012 N/A LEU 31.A N ILE 56.A O no hydrogen 2.895 N/A LEU 32.A N VAL 97.A O no hydrogen 2.840 N/A GLY 34.A N HIS 37.A NE2 no hydrogen 2.935 N/A CYS 36.A N HIS 63.A NE2 no hydrogen 2.942 N/A HIS 37.A ND1 HIS 171.A NE2 no hydrogen 2.793 N/A HIS 39.A N ASN 59.A OD1 no hydrogen 2.993 N/A ARG 40.A N ASP 38.A OD1 no hydrogen 3.225 N/A ARG 40.A NE ASP 38.A OD1 no hydrogen 2.836 N/A ARG 40.A NH1 ASP 38.A OD2 no hydrogen 2.824 N/A VAL 41.A N ASP 38.A O no hydrogen 3.036 N/A TYR 42.A N HIS 39.A O no hydrogen 2.924 N/A TYR 42.A OH LEU 32.A O no hydrogen 2.692 N/A LYS 43.A N ARG 40.A O no hydrogen 3.324 N/A LYS 43.A NZ GLU 175.A OE2 no hydrogen 3.123 N/A ILE 46.A N TYR 42.A O no hydrogen 2.759 N/A GLN 47.A N LYS 43.A O no hydrogen 3.312 N/A GLU 48.A N TYR 44.A O no hydrogen 3.234 N/A LEU 49.A N LEU 45.A O no hydrogen 3.079 N/A LEU 49.A N ILE 46.A O no hydrogen 3.052 N/A ASP 52.A N LEU 49.A O no hydrogen 3.145 N/A PHE 53.A N LEU 49.A O no hydrogen 3.186 N/A ARG 54.A NE ASP 19.A OD1 no hydrogen 3.055 N/A ARG 54.A NH2 ASP 19.A OD2 no hydrogen 2.752 N/A VAL 55.A N ASN 20.A OD1 no hydrogen 2.832 N/A ILE 56.A N ILE 29.A O no hydrogen 2.880 N/A VAL 57.A N ILE 18.A O no hydrogen 2.888 N/A ASN 59.A N SER 16.A O no hydrogen 3.062 N/A ASN 59.A ND2 SER 16.A OG no hydrogen 2.655 N/A ASN 59.A ND2 HIS 39.A ND1 no hydrogen 3.010 N/A TRP 60.A NE1 PRO 33.A O no hydrogen 2.831 N/A ARG 61.A NE ASP 81.A OD2 no hydrogen 2.747 N/A ARG 61.A NH1 ASP 81.A OD1 no hydrogen 3.029 N/A HIS 63.A N TRP 60.A O no hydrogen 2.823 N/A HIS 63.A ND1 ARG 61.A O no hydrogen 2.916 N/A GLY 64.A N TYR 179.A OH no hydrogen 2.938 N/A SER 68.A N GLY 62.A O no hydrogen 3.051 N/A VAL 70.A N ASP 182.A OD2 no hydrogen 3.162 N/A GLY 74.A N GLU 77.A OE1 no hydrogen 2.679 N/A GLN 78.A N GLY 74.A O no hydrogen 3.168 N/A VAL 79.A N TYR 75.A O no hydrogen 2.927 N/A LYS 80.A N GLN 76.A O no hydrogen 3.121 N/A ASP 81.A N GLU 77.A O no hydrogen 2.895 N/A ALA 82.A N GLN 78.A O no hydrogen 2.923 N/A LEU 83.A N VAL 79.A O no hydrogen 3.162 N/A GLU 84.A N LYS 80.A O no hydrogen 3.025 N/A ILE 85.A N ASP 81.A O no hydrogen 3.037 N/A LEU 86.A N ALA 82.A O no hydrogen 3.123 N/A ASP 87.A N LEU 83.A O no hydrogen 2.717 N/A GLN 88.A N GLU 84.A O no hydrogen 2.886 N/A GLN 88.A NE2 LEU 9.A O no hydrogen 2.971 N/A GLN 88.A NE2 GLU 84.A OE2 no hydrogen 3.053 N/A LEU 89.A N ILE 85.A O no hydrogen 2.881 N/A GLY 90.A N ASP 87.A O no hydrogen 3.137 N/A VAL 91.A N LEU 86.A O no hydrogen 2.966 N/A PHE 94.A N ARG 117.A O no hydrogen 2.937 N/A LEU 95.A N ALA 28.A O no hydrogen 2.764 N/A VAL 97.A N LEU 30.A O no hydrogen 2.889 N/A SER 98.A N ILE 122.A O no hydrogen 2.956 N/A HIS 99.A N LEU 32.A O no hydrogen 3.114 N/A SER 100.A N MET 124.A O no hydrogen 2.806 N/A SER 100.A OG ASP 125.A O no hydrogen 3.270 N/A GLY 102.A N HIS 99.A O no hydrogen 2.794 N/A GLY 103.A N SER 100.A O no hydrogen 2.771 N/A TRP 104.A N HIS 101.A O no hydrogen 3.336 N/A TRP 104.A NE1 HIS 101.A ND1 no hydrogen 3.068 N/A LEU 106.A N GLY 102.A O no hydrogen 3.041 N/A VAL 107.A N GLY 103.A O no hydrogen 2.967 N/A GLU 108.A N TRP 104.A O no hydrogen 3.199 N/A LEU 109.A N VAL 105.A O no hydrogen 2.809 N/A LEU 110.A N LEU 106.A O no hydrogen 2.872 N/A GLU 111.A N VAL 107.A O no hydrogen 3.257 N/A GLN 112.A N GLU 108.A O no hydrogen 3.008 N/A GLN 112.A NE2 GLU 108.A OE2 no hydrogen 3.365 N/A ALA 113.A N LEU 109.A O no hydrogen 2.773 N/A GLY 114.A N LEU 110.A O no hydrogen 3.013 N/A ARG 117.A NE GLU 92.A O no hydrogen 2.730 N/A ARG 117.A NH2 ASP 87.A OD1 no hydrogen 3.355 N/A ARG 117.A NH2 VAL 91.A O no hydrogen 2.722 N/A ALA 118.A N GLY 114.A O no hydrogen 2.838 N/A GLY 121.A N PRO 213.A O no hydrogen 3.220 N/A ILE 122.A N PRO 96.A O no hydrogen 2.990 N/A ILE 123.A N ARG 215.A O no hydrogen 2.997 N/A MET 124.A N SER 98.A O no hydrogen 2.894 N/A ASP 125.A N ILE 217.A O no hydrogen 2.766 N/A TRP 126.A N HIS 216.A NE2 no hydrogen 3.051 N/A TRP 126.A NE1 HIS 101.A ND1 no hydrogen 3.128 N/A MET 128.A N TYR 226.A OH no hydrogen 3.002 N/A ALA 136.A N LYS 132.A O no hydrogen 2.941 N/A LYS 137.A N PRO 133.A O no hydrogen 3.003 N/A SER 138.A N ASP 134.A O no hydrogen 3.050 N/A SER 138.A OG ASP 134.A O no hydrogen 3.189 N/A LEU 139.A N PHE 135.A O no hydrogen 3.092 N/A THR 140.A N ALA 136.A O no hydrogen 3.100 N/A THR 140.A OG1 LYS 137.A O no hydrogen 2.551 N/A LEU 141.A N LYS 137.A O no hydrogen 2.828 N/A LEU 142.A N SER 138.A O no hydrogen 2.916 N/A LYS 143.A N LEU 139.A O no hydrogen 3.130 N/A LYS 143.A NZ GLU 192.A OE1 no hydrogen 3.089 N/A LYS 143.A NZ GLU 192.A OE2 no hydrogen 2.389 N/A ASP 144.A N LEU 141.A O no hydrogen 3.078 N/A GLU 146.A N ASP 144.A OD1 no hydrogen 2.835 N/A ARG 147.A N ASP 144.A O no hydrogen 2.943 N/A ARG 147.A NE GLU 150.A OE1 no hydrogen 2.939 N/A ARG 147.A NH1 GLU 150.A OE2 no hydrogen 2.873 N/A GLY 151.A N ARG 147.A O no hydrogen 2.932 N/A THR 152.A N TRP 148.A O no hydrogen 2.920 N/A THR 152.A OG1 ARG 149.A O no hydrogen 2.754 N/A HIS 153.A N ARG 149.A O no hydrogen 2.986 N/A GLY 154.A N GLU 150.A O no hydrogen 3.040 N/A LEU 155.A N GLY 151.A O no hydrogen 3.132 N/A PHE 156.A N THR 152.A O no hydrogen 2.695 N/A ASP 157.A N HIS 153.A O no hydrogen 2.998 N/A VAL 158.A N GLY 154.A O no hydrogen 3.134 N/A TRP 159.A N LEU 155.A O no hydrogen 2.832 N/A LEU 160.A N PHE 156.A O no hydrogen 2.987 N/A ASP 161.A N ASP 157.A O no hydrogen 3.093 N/A HIS 163.A N LEU 160.A O no hydrogen 3.113 N/A ARG 169.A N GLU 165.A O no hydrogen 2.840 N/A HIS 170.A N LYS 166.A O no hydrogen 2.913 N/A HIS 171.A N ARG 167.A O no hydrogen 3.061 N/A HIS 171.A ND1 GLU 175.A OE1 no hydrogen 2.686 N/A HIS 171.A NE2 HIS 37.A ND1 no hydrogen 2.793 N/A LEU 172.A N VAL 168.A O no hydrogen 2.898 N/A LEU 173.A N ARG 169.A O no hydrogen 2.845 N/A GLU 174.A N HIS 170.A O no hydrogen 2.999 N/A GLU 175.A N HIS 170.A O no hydrogen 3.152 N/A ALA 177.A N GLU 174.A O no hydrogen 3.132 N/A TYR 179.A N MET 176.A O no hydrogen 3.349 N/A TYR 179.A OH ASP 38.A OD2 no hydrogen 2.747 N/A TYR 181.A OH LYS 143.A O no hydrogen 2.697 N/A CYS 183.A N GLY 180.A O no hydrogen 3.072 N/A CYS 183.A SG HIS 63.A NE2 no hydrogen 3.499 N/A TRP 184.A N GLY 180.A O no hydrogen 2.964 N/A GLY 185.A N TYR 181.A O no hydrogen 2.905 N/A ARG 186.A NE ASP 72.A OD1 no hydrogen 2.957 N/A ARG 186.A NH1 VAL 70.A O no hydrogen 3.100 N/A ARG 186.A NH1 ASP 72.A OD1 no hydrogen 2.974 N/A ARG 186.A NH1 ASP 182.A OD1 no hydrogen 3.526 N/A ARG 186.A NH2 ASP 182.A OD2 no hydrogen 3.073 N/A SER 187.A N CYS 183.A O no hydrogen 2.783 N/A SER 187.A OG TRP 184.A O no hydrogen 2.672 N/A GLY 188.A N TRP 184.A O no hydrogen 3.152 N/A ARG 189.A N GLY 185.A O no hydrogen 3.086 N/A ARG 189.A NH2 ASP 72.A OD1 no hydrogen 2.753 N/A ARG 189.A NH2 ASP 72.A OD2 no hydrogen 3.405 N/A VAL 190.A N ARG 186.A O no hydrogen 2.790 N/A ILE 191.A N SER 187.A O no hydrogen 3.085 N/A GLU 192.A N GLY 188.A O no hydrogen 3.229 N/A ASP 193.A N ARG 189.A O no hydrogen 2.925 N/A ALA 194.A N VAL 190.A O no hydrogen 2.810 N/A TYR 195.A N ILE 191.A O no hydrogen 3.068 N/A TYR 195.A OH LEU 127.A O no hydrogen 2.710 N/A GLY 196.A N GLU 192.A O no hydrogen 2.951 N/A ARG 197.A N ASP 193.A O no hydrogen 2.721 N/A ARG 197.A NE ASP 193.A OD2 no hydrogen 2.970 N/A ARG 197.A NH1 ASP 193.A OD1 no hydrogen 2.933 N/A ASN 198.A N ALA 194.A O no hydrogen 2.768 N/A ASN 198.A ND2 TYR 75.A OH no hydrogen 2.994 N/A ASN 198.A ND2 ALA 194.A O no hydrogen 3.178 N/A GLY 199.A N TYR 195.A O no hydrogen 2.753 N/A SER 200.A N ASN 198.A O no hydrogen 2.820 N/A GLN 203.A N SER 200.A OG no hydrogen 3.030 N/A MET 204.A N SER 200.A O no hydrogen 2.892 N/A MET 205.A N PRO 201.A O no hydrogen 2.880 N/A ALA 206.A N MET 202.A O no hydrogen 2.980 N/A ASN 207.A N GLN 203.A O no hydrogen 2.968 N/A ASN 207.A N MET 204.A O no hydrogen 3.237 N/A LEU 208.A N MET 205.A O no hydrogen 3.150 N/A THR 209.A N GLU 111.A OE1 no hydrogen 3.037 N/A THR 209.A OG1 GLU 111.A OE1 no hydrogen 3.527 N/A THR 209.A OG1 GLU 111.A OE2 no hydrogen 2.568 N/A ARG 212.A NE LYS 210.A O no hydrogen 2.983 N/A ARG 212.A NH1 LEU 110.A O no hydrogen 2.663 N/A ARG 212.A NH1 ALA 118.A O no hydrogen 2.838 N/A ARG 212.A NH2 LEU 110.A O no hydrogen 3.066 N/A ARG 212.A NH2 LYS 210.A O no hydrogen 2.890 N/A ILE 214.A N TRP 239.A O no hydrogen 2.910 N/A ARG 215.A N GLY 121.A O no hydrogen 3.250 N/A ARG 215.A NE SER 241.A OG no hydrogen 2.991 N/A ARG 215.A NH1 HIS 263.A ND1 no hydrogen 2.915 N/A ARG 215.A NH1 GLU 266.A OE1 no hydrogen 2.972 N/A ARG 215.A NH2 GLU 266.A OE2 no hydrogen 3.097 N/A HIS 216.A N SER 241.A O no hydrogen 2.945 N/A HIS 216.A ND1 ASN 230.A OD1 no hydrogen 2.973 N/A ILE 217.A N ILE 123.A O no hydrogen 2.860 N/A PHE 218.A N ALA 243.A O no hydrogen 3.171 N/A SER 219.A N ASP 125.A OD2 no hydrogen 2.698 N/A GLN 220.A N ASP 125.A OD2 no hydrogen 2.849 N/A GLN 220.A NE2 VAL 158.A O no hydrogen 3.265 N/A GLN 220.A NE2 TRP 159.A O no hydrogen 3.572 N/A GLU 225.A N GLU 225.A OE1 no hydrogen 3.027 N/A TYR 226.A N GLU 223.A O no hydrogen 3.138 N/A GLU 227.A N GLU 223.A O no hydrogen 3.520 N/A LYS 228.A N PRO 224.A O no hydrogen 2.968 N/A ILE 229.A N GLU 225.A O no hydrogen 3.395 N/A ASN 230.A N TYR 226.A O no hydrogen 3.337 N/A ASN 230.A ND2 TYR 226.A O no hydrogen 2.846 N/A SER 231.A N GLU 227.A O no hydrogen 2.787 N/A SER 231.A OG GLU 227.A O no hydrogen 3.236 N/A SER 231.A OG LYS 228.A O no hydrogen 2.871 N/A ASP 232.A N LYS 228.A O no hydrogen 2.778 N/A PHE 233.A N ILE 229.A O no hydrogen 2.944 N/A ALA 234.A N ASN 230.A O no hydrogen 2.939 N/A GLU 235.A N SER 231.A O no hydrogen 2.816 N/A GLN 236.A N ASP 232.A O no hydrogen 3.292 N/A GLN 236.A N PHE 233.A O no hydrogen 3.245 N/A HIS 237.A N PHE 233.A O no hydrogen 2.975 N/A PHE 240.A N HIS 237.A O no hydrogen 3.050 N/A SER 241.A N ILE 214.A O no hydrogen 3.177 N/A TYR 242.A OH GLU 227.A OE2 no hydrogen 2.740 N/A ALA 243.A N HIS 216.A O no hydrogen 2.887 N/A LEU 245.A N PHE 218.A O no hydrogen 2.718 N/A GLY 247.A N SER 219.A OG no hydrogen 2.865 N/A THR 249.A N ASP 255.A OD2 no hydrogen 2.943 N/A THR 249.A OG1 ASP 255.A OD2 no hydrogen 2.749 N/A HIS 250.A N TRP 159.A O no hydrogen 3.117 N/A HIS 250.A ND1 ASP 125.A OD1 no hydrogen 2.649 N/A PHE 251.A N THR 249.A OG1 no hydrogen 2.881 N/A ILE 254.A N PHE 251.A O no hydrogen 2.964 N/A ASP 255.A N PHE 251.A O no hydrogen 3.015 N/A VAL 256.A N PRO 252.A O no hydrogen 2.812 N/A ALA 260.A N VAL 256.A O no hydrogen 3.081 N/A ALA 261.A N PRO 257.A O no hydrogen 2.919 N/A VAL 262.A N ASP 258.A O no hydrogen 3.127 N/A HIS 263.A N ARG 259.A O no hydrogen 3.389 N/A ILE 264.A N ALA 260.A O no hydrogen 3.177 N/A ARG 265.A N ALA 261.A O no hydrogen 2.893 N/A ARG 265.A NH1 GLU 48.A O no hydrogen 3.122 N/A ARG 265.A NH1 GLU 48.A OE1 no hydrogen 3.263 N/A GLU 266.A N VAL 262.A O no hydrogen 3.091 N/A PHE 267.A N HIS 263.A O no hydrogen 3.151 N/A ALA 268.A N ILE 264.A O no hydrogen 2.841 N/A THR 269.A N ARG 265.A O no hydrogen 2.867 N/A THR 269.A OG1 ARG 265.A O no hydrogen 2.785 N/A ALA 270.A N GLU 266.A O no hydrogen 3.075 N/A ILE 271.A N PHE 267.A O no hydrogen 3.057 N/A ARG 272.A N ALA 268.A O no hydrogen 3.026 N/A ARG 272.A NE GLY 26.A O no hydrogen 2.915 N/A ARG 272.A NH1 ASP 25.A O no hydrogen 2.984 N/A GLN 273.A N THR 269.A O no hydrogen 2.930 N/A