Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3w52_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 1.A N HIS 6.A NE2 no hydrogen 3.434 N/A TRP 1.A N ASP 117.A OD1 no hydrogen 2.940 N/A TRP 1.A N ASP 151.A OD1 no hydrogen 3.157 N/A TRP 1.A NE1 GLY 116.A O no hydrogen 2.840 N/A GLY 2.A N ASP 151.A O no hydrogen 2.919 N/A HIS 6.A N GLY 2.A O no hydrogen 3.223 N/A GLU 7.A N LYS 3.A O no hydrogen 2.881 N/A ILE 8.A N GLU 4.A O no hydrogen 3.011 N/A ILE 9.A N GLY 5.A O no hydrogen 3.034 N/A CYS 10.A N HIS 6.A O no hydrogen 2.897 N/A LYS 11.A N GLU 7.A O no hydrogen 2.803 N/A LYS 11.A NZ GLU 168.A OE2 no hydrogen 2.906 N/A ILE 12.A N ILE 8.A O no hydrogen 2.966 N/A ALA 13.A N ILE 9.A O no hydrogen 2.931 N/A GLN 14.A N CYS 10.A O no hydrogen 2.838 N/A GLN 14.A NE2 GLY 35.A O no hydrogen 2.959 N/A THR 15.A OG1 ILE 12.A O no hydrogen 3.027 N/A ARG 16.A N ALA 13.A O no hydrogen 2.960 N/A ARG 16.A NH2 GLU 190.A OE2 no hydrogen 2.690 N/A LEU 17.A N GLN 14.A O no hydrogen 3.502 N/A ASP 18.A N ASN 252.A OD1 no hydrogen 2.849 N/A THR 20.A OG1 ASP 18.A OD1 no hydrogen 3.118 N/A ALA 21.A N ASP 18.A OD1 no hydrogen 3.045 N/A ALA 22.A N ASP 18.A O no hydrogen 2.875 N/A LYS 23.A N GLU 19.A O no hydrogen 2.974 N/A LYS 23.A NZ GLU 27.A OE2 no hydrogen 2.701 N/A ALA 24.A N THR 20.A O no hydrogen 3.077 N/A VAL 25.A N ALA 21.A O no hydrogen 2.916 N/A LYS 26.A N ALA 22.A O no hydrogen 3.019 N/A LYS 26.A NZ GLY 35.A O no hydrogen 2.922 N/A GLU 27.A N LYS 23.A O no hydrogen 2.980 N/A LEU 28.A N ALA 24.A O no hydrogen 2.885 N/A LEU 29.A N VAL 25.A O no hydrogen 2.941 N/A ALA 33.A N PRO 30.A O no hydrogen 3.083 N/A GLU 34.A N GLU 31.A O no hydrogen 3.036 N/A ASP 36.A N ALA 33.A O no hydrogen 3.050 N/A LEU 37.A N GLN 14.A OE1 no hydrogen 2.978 N/A SER 38.A N ASP 36.A OD1 no hydrogen 3.004 N/A SER 38.A OG ASP 36.A OD1 no hydrogen 2.691 N/A SER 38.A OG ASP 36.A OD2 no hydrogen 3.429 N/A SER 39.A N ASP 36.A O no hydrogen 2.985 N/A SER 39.A OG ASP 36.A O no hydrogen 2.953 N/A LEU 40.A N LEU 37.A O no hydrogen 2.984 N/A CYS 41.A SG LEU 37.A O no hydrogen 3.302 N/A TRP 43.A N LEU 40.A O no hydrogen 3.053 N/A ASP 45.A N LEU 42.A O no hydrogen 2.817 N/A ARG 46.A N LEU 42.A O no hydrogen 3.381 N/A ARG 46.A N TRP 43.A O no hydrogen 2.852 N/A VAL 47.A N ALA 44.A O no hydrogen 3.282 N/A LYS 48.A NZ ASP 45.A OD1 no hydrogen 3.332 N/A ARG 50.A NE ARG 46.A O no hydrogen 3.444 N/A ARG 50.A NH2 ARG 46.A O no hydrogen 2.842 N/A TYR 51.A N VAL 47.A O no hydrogen 2.753 N/A TYR 51.A OH GLU 106.A OE2 no hydrogen 2.572 N/A SER 54.A N TYR 51.A O no hydrogen 2.809 N/A SER 54.A OG VAL 47.A O no hydrogen 3.395 N/A SER 54.A OG TYR 51.A O no hydrogen 2.613 N/A SER 55.A N HIS 52.A O no hydrogen 3.135 N/A SER 55.A OG LYS 48.A O no hydrogen 3.018 N/A LEU 57.A N SER 54.A O no hydrogen 2.990 N/A HIS 58.A N SER 55.A O no hydrogen 3.380 N/A HIS 58.A ND1 ASP 117.A OD2 no hydrogen 3.195 N/A ILE 60.A N HIS 123.A O no hydrogen 2.777 N/A THR 62.A N SER 125.A O no hydrogen 2.757 N/A THR 62.A OG1 PRO 63.A O no hydrogen 2.893 N/A ALA 65.A N PRO 63.A O no hydrogen 2.844 N/A TYR 68.A OH ASP 200.A OD1 no hydrogen 2.802 N/A GLN 69.A N ASP 73.A OD2 no hydrogen 2.990 N/A ARG 72.A NE ASP 73.A OD1 no hydrogen 2.850 N/A ARG 72.A NE ASP 73.A OD2 no hydrogen 3.460 N/A ARG 72.A NH1 SER 67.A OG no hydrogen 3.359 N/A ARG 72.A NH2 SER 67.A OG no hydrogen 3.022 N/A ARG 72.A NH2 ASP 73.A OD2 no hydrogen 3.089 N/A ASP 73.A N GLN 69.A O no hydrogen 2.834 N/A CYS 74.A N TYR 70.A O no hydrogen 2.917 N/A LYS 75.A N ASP 73.A O no hydrogen 2.958 N/A LYS 75.A NZ ARG 72.A O no hydrogen 3.288 N/A ASP 76.A N GLU 80.A O no hydrogen 3.232 N/A GLU 77.A N GLU 77.A OE1 no hydrogen 2.695 N/A SER 78.A N ASP 76.A OD1 no hydrogen 2.772 N/A SER 78.A OG ASP 76.A OD1 no hydrogen 2.980 N/A GLY 79.A N ASP 76.A O no hydrogen 2.861 N/A GLU 80.A N ASP 76.A OD1 no hydrogen 3.232 N/A LYS 81.A NZ ASN 71.A OD1 no hydrogen 3.265 N/A GLY 82.A N CYS 74.A O no hydrogen 2.759 N/A ARG 83.A NH2 TRP 53.A O no hydrogen 3.038 N/A CYS 84.A N GLY 82.A O no hydrogen 3.082 N/A VAL 85.A N TYR 59.A O no hydrogen 3.033 N/A ALA 88.A N CYS 84.A O no hydrogen 2.942 N/A ILE 89.A N VAL 85.A O no hydrogen 2.962 N/A TYR 90.A N ALA 86.A O no hydrogen 3.096 N/A TYR 90.A OH ASP 200.A OD2 no hydrogen 3.240 N/A ASN 91.A N GLY 87.A O no hydrogen 2.938 N/A TYR 92.A N ALA 88.A O no hydrogen 2.887 N/A THR 93.A N ILE 89.A O no hydrogen 2.975 N/A THR 93.A OG1 ILE 89.A O no hydrogen 2.592 N/A THR 93.A OG1 TYR 90.A O no hydrogen 3.089 N/A THR 94.A N TYR 90.A O no hydrogen 3.054 N/A THR 94.A OG1 TYR 90.A O no hydrogen 2.838 N/A GLN 95.A N ASN 91.A O no hydrogen 3.067 N/A GLN 95.A NE2 ASN 91.A OD1 no hydrogen 3.025 N/A LEU 96.A N TYR 92.A O no hydrogen 3.104 N/A LEU 97.A N THR 94.A O no hydrogen 3.148 N/A SER 98.A N GLN 95.A O no hydrogen 3.158 N/A TYR 99.A N LEU 96.A O no hydrogen 3.024 N/A TYR 99.A OH GLU 27.A OE1 no hydrogen 2.494 N/A THR 105.A OG1 LEU 28.A O no hydrogen 2.748 N/A GLU 106.A N ASN 103.A OD1 no hydrogen 3.008 N/A ALA 107.A N ASN 103.A O no hydrogen 3.171 N/A LEU 108.A N LEU 104.A O no hydrogen 2.921 N/A LEU 109.A N THR 105.A O no hydrogen 3.033 N/A PHE 110.A N GLU 106.A O no hydrogen 2.732 N/A VAL 111.A N ALA 107.A O no hydrogen 2.800 N/A SER 112.A N LEU 108.A O no hydrogen 2.938 N/A SER 112.A OG LEU 108.A O no hydrogen 2.722 N/A HIS 113.A N LEU 109.A O no hydrogen 3.059 N/A HIS 113.A ND1 CYS 41.A O no hydrogen 2.751 N/A PHE 114.A N PHE 110.A O no hydrogen 2.805 N/A MET 115.A N VAL 111.A O no hydrogen 2.922 N/A GLY 116.A N SER 112.A O no hydrogen 3.343 N/A ASP 117.A N HIS 113.A O no hydrogen 2.850 N/A ILE 118.A N PHE 114.A O no hydrogen 2.905 N/A HIS 119.A N GLY 116.A O no hydrogen 2.963 N/A HIS 119.A ND1 MET 115.A O no hydrogen 2.846 N/A GLN 120.A N ASP 117.A O no hydrogen 3.033 N/A GLN 120.A NE2 ASP 151.A OD1 no hydrogen 2.829 N/A LEU 122.A N GLN 120.A OE1 no hydrogen 2.840 N/A HIS 123.A N GLN 120.A O no hydrogen 2.774 N/A HIS 123.A ND1 HIS 58.A O no hydrogen 2.753 N/A VAL 124.A N PRO 121.A O no hydrogen 3.051 N/A SER 125.A N ILE 60.A O no hydrogen 3.263 N/A SER 125.A OG LEU 122.A O no hydrogen 2.933 N/A SER 125.A OG TYR 215.A OH no hydrogen 3.339 N/A TYR 126.A N TYR 215.A OH no hydrogen 3.126 N/A ALA 127.A N THR 62.A O no hydrogen 2.986 N/A SER 128.A OG ASP 64.A OD1 no hydrogen 2.663 N/A SER 128.A OG ASP 64.A OD2 no hydrogen 3.447 N/A LYS 130.A N ALA 127.A O no hydrogen 3.068 N/A GLY 131.A N TYR 126.A O no hydrogen 2.983 N/A GLY 132.A N ASP 129.A OD1 no hydrogen 2.891 N/A ASN 133.A N LYS 130.A O no hydrogen 3.094 N/A ASN 133.A ND2 LYS 130.A O no hydrogen 2.809 N/A THR 134.A N ASP 129.A O no hydrogen 3.164 N/A THR 134.A OG1 ASP 129.A O no hydrogen 3.219 N/A ILE 135.A N GLY 132.A O no hydrogen 3.235 N/A GLU 136.A N GLU 220.A OE1 no hydrogen 2.883 N/A VAL 137.A N ALA 144.A O no hydrogen 2.863 N/A HIS 138.A N ASP 222.A O no hydrogen 3.058 N/A TRP 139.A N ARG 142.A O no hydrogen 2.756 N/A TRP 139.A NE1 THR 157.A OG1 no hydrogen 2.826 N/A TYR 140.A N LEU 224.A O no hydrogen 2.800 N/A TYR 140.A OH ASP 226.A OD2 no hydrogen 2.622 N/A ARG 142.A N TRP 139.A O no hydrogen 3.156 N/A ALA 144.A N VAL 137.A O no hydrogen 2.991 N/A LEU 146.A N ILE 135.A O no hydrogen 2.930 N/A HIS 147.A N GLY 132.A O no hydrogen 3.260 N/A HIS 147.A ND1 GLY 131.A O no hydrogen 2.756 N/A HIS 147.A NE2 HIS 123.A NE2 no hydrogen 3.070 N/A HIS 148.A N ASN 145.A OD1 no hydrogen 2.879 N/A HIS 148.A ND1 ASN 153.A OD1 no hydrogen 2.722 N/A ILE 149.A N ASN 145.A O no hydrogen 3.095 N/A TRP 150.A N LEU 146.A O no hydrogen 3.192 N/A TRP 150.A NE1 TYR 228.A OH no hydrogen 2.878 N/A ASP 151.A N HIS 147.A O no hydrogen 2.887 N/A SER 152.A N HIS 148.A O no hydrogen 2.804 N/A ASN 153.A N HIS 148.A O no hydrogen 3.174 N/A ILE 154.A N ILE 149.A O no hydrogen 3.013 N/A GLU 156.A N SER 152.A O no hydrogen 2.836 N/A THR 157.A N ASN 153.A O no hydrogen 2.830 N/A THR 157.A OG1 ASN 153.A O no hydrogen 2.864 N/A ALA 158.A N ILE 154.A O no hydrogen 2.911 N/A GLU 159.A N ILE 155.A O no hydrogen 2.855 N/A ALA 160.A N GLU 156.A O no hydrogen 3.027 N/A ASP 161.A N THR 157.A O no hydrogen 2.867 N/A LEU 162.A N ALA 158.A O no hydrogen 2.833 N/A TYR 163.A N ALA 158.A O no hydrogen 2.998 N/A TYR 163.A OH TYR 237.A OH no hydrogen 2.680 N/A SER 165.A N GLU 159.A O no hydrogen 2.802 N/A SER 165.A OG ASN 164.A O no hydrogen 2.553 N/A ALA 166.A N TYR 163.A O no hydrogen 2.883 N/A GLY 169.A N ALA 166.A O no hydrogen 2.820 N/A VAL 171.A N LEU 167.A O no hydrogen 3.041 N/A ASP 172.A N GLU 168.A O no hydrogen 2.902 N/A ALA 173.A N GLY 169.A O no hydrogen 3.029 N/A LEU 174.A N MET 170.A O no hydrogen 2.886 N/A LYS 175.A N VAL 171.A O no hydrogen 2.891 N/A LYS 176.A N ASP 172.A O no hydrogen 2.892 N/A ASN 177.A N ALA 173.A O no hydrogen 3.044 N/A ILE 178.A N LEU 174.A O no hydrogen 2.844 N/A THR 179.A N LYS 175.A O no hydrogen 3.241 N/A THR 179.A OG1 LYS 175.A O no hydrogen 3.321 N/A THR 180.A N LYS 176.A O no hydrogen 2.875 N/A THR 180.A OG1 LYS 176.A O no hydrogen 3.131 N/A GLU 181.A N ASN 177.A O no hydrogen 2.913 N/A TRP 182.A N ASN 177.A O no hydrogen 2.859 N/A VAL 186.A N TRP 182.A O no hydrogen 2.787 N/A LYS 187.A N ALA 183.A O no hydrogen 3.300 N/A TRP 189.A N GLN 185.A O no hydrogen 2.829 N/A GLU 190.A N VAL 186.A O no hydrogen 3.035 N/A THR 191.A N ARG 188.A O no hydrogen 3.237 N/A THR 191.A OG1 LYS 187.A O no hydrogen 2.933 N/A CYS 192.A SG LYS 194.A O no hydrogen 3.958 N/A ILE 201.A N CYS 198.A O no hydrogen 3.055 N/A ALA 203.A N PRO 199.A O no hydrogen 2.888 N/A SER 204.A N ASP 200.A O no hydrogen 2.986 N/A SER 204.A OG ASP 200.A O no hydrogen 3.161 N/A GLU 205.A N ILE 201.A O no hydrogen 3.169 N/A GLY 206.A N TYR 202.A O no hydrogen 3.019 N/A ILE 207.A N ALA 203.A O no hydrogen 3.005 N/A GLN 208.A N SER 204.A O no hydrogen 3.330 N/A GLN 208.A NE2 ASP 212.A OD1 no hydrogen 3.533 N/A GLN 208.A NE2 ASP 212.A OD2 no hydrogen 2.880 N/A ALA 209.A N GLU 205.A O no hydrogen 2.937 N/A ALA 210.A N GLY 206.A O no hydrogen 2.792 N/A CYS 211.A N ILE 207.A O no hydrogen 2.979 N/A CYS 211.A SG TYR 126.A OH no hydrogen 3.546 N/A CYS 211.A SG ILE 207.A O no hydrogen 3.661 N/A ASP 212.A N GLN 208.A O no hydrogen 2.927 N/A TRP 213.A N ALA 209.A O no hydrogen 2.810 N/A ALA 214.A N ALA 209.A O no hydrogen 3.038 N/A TYR 215.A N ALA 210.A O no hydrogen 2.818 N/A TYR 215.A OH ASP 129.A OD1 no hydrogen 2.698 N/A VAL 218.A N TYR 215.A O no hydrogen 2.935 N/A THR 219.A N ASP 222.A OD2 no hydrogen 2.760 N/A GLY 221.A N GLU 136.A O no hydrogen 2.808 N/A ASP 222.A N THR 219.A O no hydrogen 2.967 N/A LEU 224.A N HIS 138.A O no hydrogen 2.826 N/A TYR 228.A OH ALA 214.A O no hydrogen 2.720 N/A PHE 229.A N GLU 225.A O no hydrogen 2.841 N/A TYR 230.A N ASP 226.A O no hydrogen 2.877 N/A SER 231.A N GLU 227.A O no hydrogen 3.218 N/A SER 231.A OG GLU 227.A O no hydrogen 2.804 N/A SER 231.A OG TYR 228.A O no hydrogen 3.170 N/A ARG 232.A N TYR 228.A O no hydrogen 2.928 N/A ARG 232.A NE TRP 213.A O no hydrogen 2.766 N/A ARG 232.A NH1 SER 231.A OG no hydrogen 2.863 N/A ARG 232.A NH2 TRP 213.A O no hydrogen 3.326 N/A LEU 233.A N PHE 229.A O no hydrogen 2.941 N/A ILE 235.A N ARG 232.A O no hydrogen 2.999 N/A VAL 236.A N ARG 232.A O no hydrogen 3.137 N/A TYR 237.A N LEU 233.A O no hydrogen 2.893 N/A GLN 238.A N PRO 234.A O no hydrogen 2.981 N/A GLN 238.A NE2 GLN 242.A OE1 no hydrogen 3.039 N/A ARG 239.A N ILE 235.A O no hydrogen 2.924 N/A ARG 239.A NE HIS 119.A O no hydrogen 2.818 N/A ARG 239.A NH1 TYR 202.A O no hydrogen 2.996 N/A ARG 239.A NH2 GLU 205.A OE1 no hydrogen 2.825 N/A ARG 239.A NH2 GLN 242.A OE1 no hydrogen 2.973 N/A LEU 240.A N VAL 236.A O no hydrogen 2.942 N/A ALA 241.A N TYR 237.A O no hydrogen 2.924 N/A GLN 242.A N GLN 238.A O no hydrogen 2.826 N/A GLY 243.A N ARG 239.A O no hydrogen 2.900 N/A GLY 244.A N LEU 240.A O no hydrogen 2.956 N/A VAL 245.A N ALA 241.A O no hydrogen 2.909 N/A ARG 246.A N GLN 242.A O no hydrogen 2.834 N/A ARG 246.A NE TRP 189.A O no hydrogen 3.140 N/A ARG 246.A NH1 HIS 119.A NE2 no hydrogen 2.945 N/A ARG 246.A NH1 GLU 205.A OE1 no hydrogen 2.809 N/A ARG 246.A NH2 GLU 205.A OE1 no hydrogen 3.446 N/A ARG 246.A NH2 GLU 205.A OE2 no hydrogen 2.858 N/A LEU 247.A N GLY 243.A O no hydrogen 2.892 N/A ALA 248.A N GLY 244.A O no hydrogen 3.097 N/A ALA 249.A N VAL 245.A O no hydrogen 2.886 N/A THR 250.A N ARG 246.A O no hydrogen 2.870 N/A THR 250.A OG1 ARG 246.A O no hydrogen 2.840 N/A LEU 251.A N LEU 247.A O no hydrogen 2.910 N/A ASN 252.A N ALA 248.A O no hydrogen 2.778 N/A ASN 252.A ND2 ARG 16.A O no hydrogen 3.153 N/A ARG 253.A N ALA 249.A O no hydrogen 3.075 N/A ARG 253.A NE THR 196.A O no hydrogen 2.961 N/A ARG 253.A NH1 GLU 190.A O no hydrogen 2.919 N/A ARG 253.A NH2 THR 196.A O no hydrogen 3.322 N/A ILE 254.A N THR 250.A O no hydrogen 2.811 N/A PHE 255.A N LEU 251.A O no hydrogen 2.950 N/A