Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3tox_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N GLU 28.A OE1 no hydrogen 3.295 N/A ARG 2.A N GLU 28.A OE1 no hydrogen 3.025 N/A ARG 2.A NH1 GLU 28.A OE2 no hydrogen 2.962 N/A ARG 2.A NH1 GLU 226.A OE2 no hydrogen 3.263 N/A ARG 2.A NH2 GLU 226.A OE1 no hydrogen 2.355 N/A LEU 3.A N GLU 28.A O no hydrogen 2.920 N/A GLU 4.A N SER 1.A O no hydrogen 3.242 N/A LYS 6.A N LEU 3.A O no hydrogen 3.046 N/A LYS 6.A NZ ASP 234.A OD1 no hydrogen 2.754 N/A ILE 7.A N ASP 84.A OD2 no hydrogen 2.790 N/A ALA 8.A N LYS 31.A O no hydrogen 2.956 N/A ILE 9.A N THR 85.A O no hydrogen 2.996 N/A VAL 10.A N VAL 33.A O no hydrogen 2.826 N/A THR 11.A N PHE 87.A O no hydrogen 3.028 N/A ALA 13.A N THR 35.A O no hydrogen 2.880 N/A ARG 19.A N SER 15.A O no hydrogen 2.839 N/A ARG 19.A NH1 GLU 48.A OE1 no hydrogen 3.552 N/A ARG 19.A NH2 GLU 44.A OE2 no hydrogen 3.051 N/A ARG 19.A NH2 GLU 48.A OE1 no hydrogen 2.802 N/A ALA 20.A N GLY 16.A O no hydrogen 3.151 N/A ALA 21.A N ILE 17.A O no hydrogen 2.841 N/A ALA 22.A N GLY 18.A O no hydrogen 2.955 N/A LEU 23.A N ARG 19.A O no hydrogen 2.985 N/A LEU 24.A N ALA 20.A O no hydrogen 2.835 N/A PHE 25.A N ALA 21.A O no hydrogen 3.005 N/A ALA 26.A N ALA 22.A O no hydrogen 3.005 N/A ARG 27.A N LEU 23.A O no hydrogen 2.776 N/A ARG 27.A NH1 ILE 49.A O no hydrogen 3.134 N/A ARG 27.A NH2 GLU 48.A O no hydrogen 2.755 N/A GLU 28.A N LEU 24.A O no hydrogen 2.846 N/A GLU 28.A N PHE 25.A O no hydrogen 3.136 N/A GLY 29.A N ALA 26.A O no hydrogen 3.021 N/A ALA 30.A N PHE 25.A O no hydrogen 2.943 N/A LYS 31.A N LYS 6.A O no hydrogen 2.975 N/A VAL 32.A N GLU 55.A O no hydrogen 3.075 N/A VAL 33.A N ALA 8.A O no hydrogen 2.801 N/A VAL 34.A N ALA 57.A O no hydrogen 2.890 N/A THR 35.A N VAL 10.A O no hydrogen 3.227 N/A THR 35.A OG1 LEU 59.A O no hydrogen 2.605 N/A ASN 40.A N ASN 38.A OD1 no hydrogen 3.120 N/A ALA 41.A N ASN 38.A OD1 no hydrogen 3.100 N/A LEU 42.A N ASN 38.A O no hydrogen 3.023 N/A ALA 43.A N GLY 39.A O no hydrogen 3.203 N/A GLU 44.A N ASN 40.A O no hydrogen 3.135 N/A LEU 45.A N ALA 41.A O no hydrogen 3.182 N/A THR 46.A N LEU 42.A O no hydrogen 2.833 N/A THR 46.A OG1 LEU 42.A O no hydrogen 3.525 N/A THR 46.A OG1 ALA 43.A O no hydrogen 3.304 N/A ASP 47.A N ALA 43.A O no hydrogen 2.924 N/A GLU 48.A N GLU 44.A O no hydrogen 2.979 N/A ILE 49.A N LEU 45.A O no hydrogen 2.859 N/A ALA 50.A N THR 46.A O no hydrogen 2.717 N/A GLY 52.A N GLU 48.A O no hydrogen 2.972 N/A GLY 54.A N ILE 49.A O no hydrogen 2.936 N/A ALA 57.A N VAL 32.A O no hydrogen 2.942 N/A LEU 59.A N VAL 34.A O no hydrogen 3.092 N/A GLY 61.A N ALA 36.A O no hydrogen 2.932 N/A GLY 64.A N ASP 62.A OD1 no hydrogen 2.826 N/A ASP 65.A N ASP 62.A O no hydrogen 2.924 N/A LEU 68.A N ASP 65.A O no hydrogen 3.204 N/A HIS 69.A N ASP 65.A O no hydrogen 3.458 N/A HIS 69.A NE2 VAL 63.A O no hydrogen 2.691 N/A GLU 70.A N GLU 66.A O no hydrogen 3.087 N/A ALA 71.A N ALA 67.A O no hydrogen 2.980 N/A LEU 72.A N LEU 68.A O no hydrogen 2.854 N/A VAL 73.A N HIS 69.A O no hydrogen 3.232 N/A GLU 74.A N GLU 70.A O no hydrogen 3.041 N/A LEU 75.A N ALA 71.A O no hydrogen 2.818 N/A ALA 76.A N LEU 72.A O no hydrogen 3.114 N/A VAL 77.A N VAL 73.A O no hydrogen 3.021 N/A ARG 78.A N GLU 74.A O no hydrogen 2.795 N/A ARG 78.A NE GLU 74.A OE1 no hydrogen 3.316 N/A ARG 78.A NH2 GLU 74.A OE1 no hydrogen 3.388 N/A ARG 79.A N LEU 75.A O no hydrogen 2.917 N/A ARG 79.A NH2 ALA 56.A O no hydrogen 3.523 N/A PHE 80.A N ALA 76.A O no hydrogen 2.875 N/A GLY 81.A N VAL 77.A O no hydrogen 2.779 N/A ASP 84.A N ILE 7.A O no hydrogen 3.009 N/A THR 85.A N ILE 7.A O no hydrogen 3.110 N/A THR 85.A OG1 SER 136.A O no hydrogen 3.075 N/A THR 85.A OG1 SER 136.A OG no hydrogen 2.710 N/A ALA 86.A N SER 136.A O no hydrogen 3.092 N/A PHE 87.A N ILE 9.A O no hydrogen 2.813 N/A ASN 88.A N THR 138.A O no hydrogen 2.808 N/A ASN 89.A N THR 11.A OG1 no hydrogen 2.866 N/A ASN 89.A ND2 THR 11.A O no hydrogen 3.244 N/A ASN 89.A ND2 GLY 12.A O no hydrogen 3.418 N/A ALA 90.A N THR 11.A OG1 no hydrogen 3.033 N/A ALA 92.A N ASN 114.A OD1 no hydrogen 2.875 N/A ALA 95.A N THR 110.A OG1 no hydrogen 3.329 N/A GLY 97.A N GLY 152.A O no hydrogen 2.851 N/A SER 101.A N GLU 98.A O no hydrogen 2.896 N/A SER 101.A OG GLU 98.A O no hydrogen 2.880 N/A LEU 102.A N ILE 99.A O no hydrogen 3.483 N/A GLU 105.A N GLU 105.A OE1 no hydrogen 2.838 N/A GLY 106.A N SER 103.A OG no hydrogen 3.051 N/A TRP 107.A N SER 103.A O no hydrogen 2.942 N/A ARG 108.A N VAL 104.A O no hydrogen 2.772 N/A GLU 109.A N GLU 105.A O no hydrogen 2.928 N/A THR 110.A N GLY 106.A O no hydrogen 2.982 N/A THR 110.A OG1 GLY 106.A O no hydrogen 2.918 N/A LEU 111.A N TRP 107.A O no hydrogen 3.034 N/A ASP 112.A N ARG 108.A O no hydrogen 2.821 N/A THR 113.A N GLU 109.A O no hydrogen 3.072 N/A THR 113.A OG1 GLU 109.A O no hydrogen 3.156 N/A THR 113.A OG1 GLU 109.A OE2 no hydrogen 2.646 N/A ASN 114.A N THR 110.A O no hydrogen 2.983 N/A ASN 114.A ND2 ALA 92.A O no hydrogen 3.000 N/A ASN 114.A ND2 SER 159.A OG no hydrogen 2.823 N/A LEU 115.A N LEU 111.A O no hydrogen 2.791 N/A THR 116.A N LEU 111.A O no hydrogen 2.954 N/A THR 116.A OG1 ASP 112.A OD1 no hydrogen 2.983 N/A SER 117.A N ASP 112.A O no hydrogen 3.081 N/A SER 117.A OG THR 113.A O no hydrogen 2.723 N/A ALA 118.A N LEU 115.A O no hydrogen 2.902 N/A PHE 119.A N LEU 115.A O no hydrogen 3.256 N/A LEU 120.A N THR 116.A O no hydrogen 3.005 N/A ALA 121.A N SER 117.A O no hydrogen 2.731 N/A ALA 122.A N ALA 118.A O no hydrogen 2.927 N/A LYS 123.A N PHE 119.A O no hydrogen 2.821 N/A LYS 123.A NZ GLU 66.A OE2 no hydrogen 2.763 N/A TYR 124.A N LEU 120.A O no hydrogen 3.325 N/A TYR 124.A OH GLU 66.A OE2 no hydrogen 2.603 N/A GLN 125.A N ALA 121.A O no hydrogen 2.785 N/A VAL 126.A N ALA 122.A O no hydrogen 3.037 N/A ILE 129.A N GLN 125.A O no hydrogen 2.981 N/A ALA 130.A N VAL 126.A O no hydrogen 2.902 N/A ALA 131.A N PRO 127.A O no hydrogen 3.195 N/A GLY 133.A N ALA 130.A O no hydrogen 3.054 N/A GLY 134.A N ILE 129.A O no hydrogen 3.137 N/A GLY 135.A N GLY 178.A O no hydrogen 3.014 N/A SER 136.A N ASP 84.A O no hydrogen 2.999 N/A SER 136.A OG THR 85.A OG1 no hydrogen 2.710 N/A LEU 137.A N ARG 180.A O no hydrogen 2.885 N/A THR 138.A N ALA 86.A O no hydrogen 2.924 N/A PHE 139.A N ASN 182.A O no hydrogen 3.003 N/A THR 140.A N ASN 88.A O no hydrogen 3.043 N/A THR 140.A OG1 ASN 89.A OD1 no hydrogen 2.871 N/A SER 141.A N LEU 184.A O no hydrogen 2.713 N/A SER 141.A OG LYS 160.A O no hydrogen 2.566 N/A PHE 143.A N PRO 186.A O no hydrogen 3.485 N/A VAL 144.A N SER 142.A OG no hydrogen 3.047 N/A GLY 145.A N ALA 148.A O no hydrogen 2.843 N/A HIS 146.A N PHE 143.A O no hydrogen 2.926 N/A THR 147.A N PHE 143.A O no hydrogen 2.826 N/A THR 147.A OG1 PHE 143.A O no hydrogen 3.422 N/A THR 147.A OG1 SER 251.A OG no hydrogen 2.756 N/A ALA 157.A N VAL 153.A O no hydrogen 2.885 N/A ALA 158.A N ALA 154.A O no hydrogen 2.968 N/A SER 159.A N PRO 155.A O no hydrogen 2.877 N/A SER 159.A OG PRO 155.A O no hydrogen 3.292 N/A SER 159.A OG TYR 156.A O no hydrogen 2.841 N/A LYS 160.A N TYR 156.A O no hydrogen 2.920 N/A LYS 160.A NZ THR 140.A O no hydrogen 2.905 N/A ALA 161.A N ALA 157.A O no hydrogen 3.035 N/A GLY 162.A N ALA 158.A O no hydrogen 2.983 N/A LEU 163.A N LYS 160.A O no hydrogen 3.264 N/A ILE 164.A N ALA 161.A O no hydrogen 2.949 N/A LEU 166.A N GLY 162.A O no hydrogen 3.055 N/A VAL 167.A N LEU 163.A O no hydrogen 2.804 N/A GLN 168.A N ILE 164.A O no hydrogen 3.023 N/A ALA 169.A N GLY 165.A O no hydrogen 3.066 N/A LEU 170.A N LEU 166.A O no hydrogen 3.015 N/A ALA 171.A N VAL 167.A O no hydrogen 2.841 N/A VAL 172.A N GLN 168.A O no hydrogen 3.311 N/A GLU 173.A N ALA 169.A O no hydrogen 2.911 N/A LEU 174.A N LEU 170.A O no hydrogen 2.838 N/A GLY 175.A N VAL 172.A O no hydrogen 3.473 N/A ARG 177.A N LEU 174.A O no hydrogen 3.130 N/A GLY 178.A N GLY 175.A O no hydrogen 3.016 N/A ILE 179.A N LEU 174.A O no hydrogen 3.437 N/A ARG 180.A N GLY 135.A O no hydrogen 2.835 N/A ARG 180.A NH1 LEU 231.A O no hydrogen 2.952 N/A ARG 180.A NH1 VAL 239.A O no hydrogen 3.384 N/A ARG 180.A NH2 LEU 231.A O no hydrogen 2.904 N/A VAL 181.A N THR 240.A OG1 no hydrogen 2.943 N/A ASN 182.A N LEU 137.A O no hydrogen 3.027 N/A ASN 182.A ND2 ALA 242.A O no hydrogen 3.699 N/A ALA 183.A N ALA 242.A O no hydrogen 2.800 N/A LEU 184.A N PHE 139.A O no hydrogen 2.701 N/A LEU 185.A N LEU 244.A O no hydrogen 2.995 N/A GLY 187.A N ALA 246.A O no hydrogen 3.187 N/A GLY 188.A N HIS 213.A NE2 no hydrogen 2.756 N/A THR 189.A OG1 GLY 187.A O no hydrogen 2.946 N/A ASP 190.A N ALA 219.A O no hydrogen 2.830 N/A THR 191.A N THR 189.A O no hydrogen 2.747 N/A ALA 193.A N THR 191.A OG1 no hydrogen 3.048 N/A ASN 194.A N THR 191.A O no hydrogen 3.228 N/A ASN 194.A ND2 THR 189.A O no hydrogen 3.014 N/A ALA 196.A N ASN 194.A OD1 no hydrogen 2.916 N/A ASN 197.A N ASN 194.A O no hydrogen 2.874 N/A ASN 197.A ND2 ASP 190.A OD1 no hydrogen 3.188 N/A ASN 197.A ND2 THR 191.A O no hydrogen 2.828 N/A LEU 198.A N PHE 195.A O no hydrogen 3.425 N/A ALA 201.A N LEU 198.A O no hydrogen 2.898 N/A THR 205.A N ALA 202.A O no hydrogen 3.075 N/A THR 205.A OG1 ALA 202.A O no hydrogen 3.207 N/A ARG 206.A NH1 ASN 197.A OD1 no hydrogen 3.181 N/A ARG 206.A NH2 ASN 197.A OD1 no hydrogen 2.755 N/A PHE 208.A N GLU 204.A O no hydrogen 3.051 N/A VAL 209.A N THR 205.A O no hydrogen 2.806 N/A GLU 210.A N ARG 206.A O no hydrogen 2.862 N/A GLY 211.A N GLY 207.A O no hydrogen 3.003 N/A LEU 212.A N VAL 209.A O no hydrogen 2.984 N/A HIS 213.A N GLU 210.A O no hydrogen 3.121 N/A HIS 213.A ND1 GLU 210.A O no hydrogen 3.280 N/A LEU 215.A N GLY 248.A O no hydrogen 3.041 N/A LYS 216.A N HIS 213.A O no hydrogen 2.845 N/A LYS 216.A NZ GLY 211.A O no hydrogen 3.159 N/A LYS 216.A NZ HIS 213.A O no hydrogen 3.109 N/A ARG 217.A NH1 GLU 223.A OE1 no hydrogen 3.437 N/A ARG 217.A NH1 GLU 223.A OE2 no hydrogen 2.854 N/A ARG 217.A NH2 GLU 223.A OE1 no hydrogen 2.828 N/A ALA 219.A N GLY 188.A O no hydrogen 2.891 N/A ARG 220.A N GLU 223.A OE2 no hydrogen 2.885 N/A GLU 223.A N ARG 220.A O no hydrogen 2.951 N/A ALA 225.A N PRO 221.A O no hydrogen 2.978 N/A GLU 226.A N GLU 222.A O no hydrogen 3.030 N/A ALA 227.A N GLU 223.A O no hydrogen 3.447 N/A ALA 228.A N ILE 224.A O no hydrogen 2.967 N/A LEU 229.A N ALA 225.A O no hydrogen 2.720 N/A TYR 230.A N GLU 226.A O no hydrogen 2.785 N/A TYR 230.A OH GLY 235.A O no hydrogen 2.975 N/A LEU 231.A N ALA 227.A O no hydrogen 3.068 N/A ALA 232.A N ALA 228.A O no hydrogen 3.067 N/A SER 233.A N TYR 230.A O no hydrogen 2.914 N/A SER 233.A OG TYR 230.A O no hydrogen 2.553 N/A ALA 236.A N SER 233.A O no hydrogen 3.016 N/A SER 237.A N ASP 234.A O no hydrogen 3.191 N/A SER 237.A OG ASP 234.A O no hydrogen 3.440 N/A VAL 239.A N ALA 236.A O no hydrogen 3.022 N/A THR 240.A OG1 VAL 181.A O no hydrogen 3.407 N/A GLY 241.A N VAL 181.A O no hydrogen 2.670 N/A LEU 244.A N ALA 183.A O no hydrogen 3.011 N/A ALA 246.A N LEU 185.A O no hydrogen 2.989 N/A GLY 249.A N ASP 247.A OD1 no hydrogen 2.954 N/A ALA 250.A N ASP 247.A O no hydrogen 2.919 N/A SER 251.A N ASP 247.A OD2 no hydrogen 2.775 N/A SER 251.A OG THR 147.A OG1 no hydrogen 2.756 N/A SER 251.A OG ASP 247.A OD2 no hydrogen 2.615 N/A VAL 252.A N GLY 249.A O no hydrogen 3.080 N/A THR 253.A N ALA 250.A O no hydrogen 3.331 N/A THR 253.A OG1 GLY 249.A O no hydrogen 2.720 N/A