Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1toa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ GLY 22.A O no hydrogen 2.926 N/A LEU 4.A N ASP 53.A OD2 no hydrogen 2.842 N/A VAL 5.A N HIS 25.A O no hydrogen 2.811 N/A VAL 6.A N LEU 54.A O no hydrogen 2.900 N/A THR 7.A N LYS 27.A O no hydrogen 2.929 N/A THR 8.A N LEU 56.A O no hydrogen 3.341 N/A THR 8.A OG1 GLU 63.A OE2 no hydrogen 2.702 N/A ILE 12.A N ILE 9.A O no hydrogen 3.095 N/A ALA 13.A N ILE 9.A O no hydrogen 3.311 N/A ASP 14.A N GLY 10.A O no hydrogen 2.845 N/A VAL 16.A N ILE 12.A O no hydrogen 3.122 N/A LYS 17.A N ALA 13.A O no hydrogen 2.888 N/A ASN 18.A N ASP 14.A O no hydrogen 3.111 N/A ASN 18.A ND2 ASP 14.A O no hydrogen 2.883 N/A ILE 19.A N ALA 15.A O no hydrogen 2.982 N/A ALA 20.A N VAL 16.A O no hydrogen 2.798 N/A GLN 21.A N LYS 17.A O no hydrogen 2.955 N/A ASP 23.A N ALA 20.A O no hydrogen 2.869 N/A HIS 25.A N PRO 3.A O no hydrogen 2.874 N/A LYS 27.A N VAL 5.A O no hydrogen 2.971 N/A LEU 29.A N THR 7.A O no hydrogen 2.844 N/A MET 30.A N THR 8.A O no hydrogen 3.121 N/A VAL 34.A N GLY 31.A O no hydrogen 3.162 N/A HIS 37.A N ASP 35.A OD1 no hydrogen 2.943 N/A LEU 38.A N ASP 35.A O no hydrogen 3.324 N/A LEU 38.A N ASP 35.A OD1 no hydrogen 3.322 N/A TYR 39.A OH ASP 45.A OD2 no hydrogen 2.519 N/A THR 42.A N ASP 45.A OD2 no hydrogen 2.937 N/A ASP 45.A N THR 42.A OG1 no hydrogen 3.020 N/A VAL 46.A N THR 42.A O no hydrogen 2.999 N/A GLU 47.A N ALA 43.A O no hydrogen 3.094 N/A GLU 47.A N GLY 44.A O no hydrogen 3.121 N/A TRP 48.A N GLY 44.A O no hydrogen 3.062 N/A LEU 49.A N ASP 45.A O no hydrogen 2.865 N/A GLY 50.A N VAL 46.A O no hydrogen 2.907 N/A ASN 51.A N TRP 48.A O no hydrogen 3.097 N/A ALA 52.A N LEU 49.A O no hydrogen 3.298 N/A ASP 53.A N LEU 4.A O no hydrogen 2.807 N/A LEU 54.A N LEU 4.A O no hydrogen 3.252 N/A ILE 55.A N LEU 78.A O no hydrogen 2.924 N/A LEU 56.A N VAL 6.A O no hydrogen 2.915 N/A TYR 57.A N VAL 80.A O no hydrogen 3.099 N/A ASN 58.A N GLU 63.A OE2 no hydrogen 2.921 N/A ASN 58.A ND2 GLY 59.A O no hydrogen 3.046 N/A ASN 58.A ND2 PRO 101.A O no hydrogen 3.203 N/A GLY 59.A N GLU 63.A OE1 no hydrogen 3.234 N/A LEU 60.A N GLU 84.A OE2 no hydrogen 2.927 N/A LEU 62.A N GLY 59.A O no hydrogen 3.132 N/A GLU 63.A N GLU 63.A OE1 no hydrogen 3.015 N/A THR 64.A OG1 HIS 37.A O no hydrogen 2.557 N/A MET 66.A N GLU 63.A O no hydrogen 3.024 N/A PHE 70.A N MET 66.A O no hydrogen 3.004 N/A SER 71.A N GLY 67.A O no hydrogen 2.862 N/A SER 71.A OG GLY 67.A O no hydrogen 3.427 N/A LYS 72.A N GLU 68.A O no hydrogen 3.042 N/A LEU 73.A N PHE 70.A O no hydrogen 3.097 N/A ARG 74.A NH2 TYR 57.A OH no hydrogen 2.931 N/A SER 76.A OG LEU 73.A O no hydrogen 3.014 N/A ARG 77.A NE SER 76.A OG no hydrogen 3.102 N/A ARG 77.A NH1 GLY 50.A O no hydrogen 2.748 N/A ARG 77.A NH1 ALA 52.A O no hydrogen 2.801 N/A ARG 77.A NH2 GLY 50.A O no hydrogen 3.312 N/A ARG 77.A NH2 SER 76.A OG no hydrogen 3.059 N/A VAL 80.A N ILE 55.A O no hydrogen 2.876 N/A VAL 82.A N TYR 57.A O no hydrogen 2.896 N/A SER 83.A N ASN 58.A O no hydrogen 2.975 N/A SER 83.A OG ASN 58.A OD1 no hydrogen 2.703 N/A SER 83.A OG SER 113.A OG no hydrogen 2.821 N/A GLU 84.A N ALA 81.A O no hydrogen 3.062 N/A THR 85.A N VAL 82.A O no hydrogen 3.373 N/A THR 85.A OG1 VAL 82.A O no hydrogen 2.881 N/A ILE 86.A N SER 83.A O no hydrogen 3.245 N/A GLN 90.A N PRO 87.A O no hydrogen 2.900 N/A GLN 90.A NE2 TYR 112.A OH no hydrogen 3.059 N/A ARG 91.A N VAL 88.A O no hydrogen 3.042 N/A ARG 91.A NE ILE 86.A O no hydrogen 2.976 N/A ARG 91.A NH2 ILE 86.A O no hydrogen 3.016 N/A LEU 92.A N TYR 173.A OH no hydrogen 2.870 N/A LEU 94.A N GLU 98.A O no hydrogen 2.646 N/A ALA 97.A N LEU 94.A O no hydrogen 2.943 N/A ASP 100.A N LEU 92.A O no hydrogen 2.778 N/A HIS 102.A N ASP 100.A OD1 no hydrogen 3.060 N/A HIS 102.A ND1 ASP 100.A OD1 no hydrogen 2.698 N/A VAL 103.A N PRO 101.A O no hydrogen 2.777 N/A TRP 104.A NE1 SER 247.A O no hydrogen 2.928 N/A PHE 105.A N HIS 102.A O no hydrogen 3.384 N/A ASP 106.A N VAL 103.A O no hydrogen 3.327 N/A VAL 107.A N TYR 178.A OH no hydrogen 3.149 N/A LYS 108.A N ASP 106.A OD1 no hydrogen 3.169 N/A LEU 109.A N ASP 106.A OD1 no hydrogen 3.306 N/A TRP 110.A N ASP 106.A O no hydrogen 2.862 N/A SER 111.A N VAL 107.A O no hydrogen 3.234 N/A SER 111.A N LYS 108.A O no hydrogen 3.210 N/A SER 111.A OG.A VAL 107.A O no hydrogen 3.056 N/A SER 111.A OG.A LYS 108.A O no hydrogen 3.265 N/A SER 111.A OG.B LYS 108.A O no hydrogen 2.446 N/A TYR 112.A N LEU 109.A O no hydrogen 3.028 N/A SER 113.A OG SER 83.A OG no hydrogen 2.821 N/A VAL 114.A N TRP 110.A O no hydrogen 2.973 N/A LYS 115.A N SER 111.A O no hydrogen 2.913 N/A LYS 115.A NZ GLU 119.A OE2 no hydrogen 2.655 N/A ALA 116.A N TYR 112.A O no hydrogen 2.962 N/A VAL 117.A N SER 113.A O no hydrogen 3.033 N/A TYR 118.A N VAL 114.A O no hydrogen 2.980 N/A TYR 118.A OH THR 133.A OG1 no hydrogen 2.698 N/A GLU 119.A N LYS 115.A O no hydrogen 2.857 N/A SER 120.A N ALA 116.A O no hydrogen 2.882 N/A SER 120.A OG ALA 116.A O no hydrogen 2.736 N/A LEU 121.A N VAL 117.A O no hydrogen 2.980 N/A CYS 122.A N TYR 118.A O no hydrogen 3.038 N/A CYS 122.A SG TYR 118.A O no hydrogen 3.461 N/A LYS 123.A N GLU 119.A O no hydrogen 3.157 N/A LEU 124.A N SER 120.A O no hydrogen 3.002 N/A LEU 125.A N LEU 121.A O no hydrogen 2.858 N/A LYS 128.A N LEU 125.A O no hydrogen 2.877 N/A THR 129.A N PRO 126.A O no hydrogen 3.134 N/A THR 129.A OG1 PRO 126.A O no hydrogen 2.650 N/A GLU 131.A N GLU 131.A OE1 no hydrogen 2.799 N/A PHE 132.A N LYS 128.A O no hydrogen 2.989 N/A THR 133.A N THR 129.A O no hydrogen 2.879 N/A THR 133.A OG1 TYR 118.A OH no hydrogen 2.698 N/A THR 133.A OG1 THR 129.A O no hydrogen 2.575 N/A GLN 134.A N ARG 130.A O no hydrogen 3.002 N/A ARG 135.A N GLU 131.A O no hydrogen 2.934 N/A ARG 135.A NH1 ILE 19.A O no hydrogen 2.987 N/A ARG 135.A NH1 ASP 23.A OD2 no hydrogen 2.824 N/A ARG 135.A NH2 ASP 23.A OD2 no hydrogen 2.792 N/A TYR 136.A N PHE 132.A O no hydrogen 2.804 N/A GLN 137.A N THR 133.A O no hydrogen 2.929 N/A ALA 138.A N GLN 134.A O no hydrogen 3.130 N/A TYR 139.A N ARG 135.A O no hydrogen 2.919 N/A TYR 139.A OH ASP 14.A OD2 no hydrogen 2.707 N/A GLN 140.A N TYR 136.A O no hydrogen 2.802 N/A GLN 140.A NE2 SER 111.A OG.A no hydrogen 3.012 N/A GLN 140.A NE2 ASP 144.A OD1 no hydrogen 3.147 N/A GLN 141.A N GLN 137.A O no hydrogen 3.123 N/A GLN 142.A N ALA 138.A O no hydrogen 3.186 N/A LEU 143.A N TYR 139.A O no hydrogen 3.019 N/A ASP 144.A N GLN 140.A O no hydrogen 2.917 N/A LYS 145.A N GLN 141.A O no hydrogen 3.026 N/A LEU 146.A N GLN 142.A O no hydrogen 2.844 N/A ASP 147.A N LEU 143.A O no hydrogen 2.853 N/A ALA 148.A N ASP 144.A O no hydrogen 3.118 N/A TYR 149.A N LYS 145.A O no hydrogen 2.903 N/A TYR 149.A OH ASP 269.A OD1 no hydrogen 2.593 N/A TYR 149.A OH ASP 269.A OD2 no hydrogen 3.423 N/A VAL 150.A N LEU 146.A O no hydrogen 2.877 N/A ARG 151.A N ASP 147.A O no hydrogen 3.049 N/A ARG 151.A NH1 ASP 147.A OD1 no hydrogen 3.559 N/A ARG 151.A NH1 ASP 147.A OD2 no hydrogen 2.793 N/A ARG 151.A NH2 ALA 177.A O no hydrogen 2.893 N/A ARG 152.A N ALA 148.A O no hydrogen 3.012 N/A LYS 153.A N TYR 149.A O no hydrogen 2.966 N/A ALA 154.A N VAL 150.A O no hydrogen 2.890 N/A GLN 155.A N ARG 151.A O no hydrogen 2.948 N/A SER 156.A N LYS 153.A O no hydrogen 3.261 N/A SER 156.A OG LYS 153.A O no hydrogen 2.682 N/A LEU 157.A N ALA 154.A O no hydrogen 3.079 N/A GLU 160.A N GLU 160.A OE1 no hydrogen 2.799 N/A ARG 161.A N PRO 158.A O no hydrogen 2.747 N/A ARG 161.A NH1 LEU 275.A O no hydrogen 2.768 N/A ARG 162.A N ALA 159.A O no hydrogen 3.212 N/A ARG 162.A NE ALA 154.A O no hydrogen 3.072 N/A ARG 162.A NE LEU 157.A O no hydrogen 3.163 N/A ARG 162.A NH2 LEU 157.A O no hydrogen 3.089 N/A VAL 163.A N ARG 161.A O no hydrogen 2.881 N/A LEU 164.A N GLU 181.A O no hydrogen 2.737 N/A THR 166.A N LYS 183.A O no hydrogen 3.008 N/A THR 166.A OG1 HIS 168.A O no hydrogen 2.770 N/A THR 166.A OG1 GLU 217.A OE2 no hydrogen 3.271 N/A HIS 168.A N GLU 217.A OE2 no hydrogen 3.033 N/A HIS 168.A ND1 GLU 217.A OE1 no hydrogen 2.722 N/A ASP 169.A N GLN 186.A O no hydrogen 3.129 N/A ASP 169.A N GLY 187.A O no hydrogen 3.044 N/A ALA 170.A N HIS 168.A O no hydrogen 2.837 N/A TYR 173.A OH ASP 100.A O no hydrogen 2.696 N/A SER 175.A N PHE 171.A O no hydrogen 2.752 N/A SER 175.A OG PHE 180.A O no hydrogen 2.668 N/A ARG 176.A N GLY 172.A O no hydrogen 3.298 N/A ARG 176.A NH1 GLN 90.A O no hydrogen 3.554 N/A ARG 176.A NH2 GLN 90.A O no hydrogen 2.763 N/A ALA 177.A N TYR 173.A O no hydrogen 2.964 N/A TYR 178.A N PHE 174.A O no hydrogen 2.898 N/A TYR 178.A OH ASP 147.A OD1 no hydrogen 2.656 N/A GLY 179.A N SER 175.A O no hydrogen 3.090 N/A PHE 180.A N SER 175.A O no hydrogen 3.232 N/A GLU 181.A N ARG 162.A O no hydrogen 2.865 N/A LYS 183.A N LEU 164.A O no hydrogen 3.037 N/A LEU 185.A N THR 166.A O no hydrogen 2.991 N/A GLN 186.A N ALA 167.A O no hydrogen 2.988 N/A GLN 186.A NE2 THR 190.A O no hydrogen 3.039 N/A GLN 186.A NE2 SER 192.A O no hydrogen 2.849 N/A THR 190.A OG1 ASP 35.A OD1 no hydrogen 3.037 N/A THR 190.A OG1 ASP 35.A OD2 no hydrogen 2.735 N/A ALA 191.A N SER 189.A OG no hydrogen 3.137 N/A SER 192.A OG.A GLU 193.A O no hydrogen 3.317 N/A SER 195.A N ASP 198.A OD2 no hydrogen 3.001 N/A ASP 198.A N SER 195.A OG no hydrogen 3.172 N/A MET 199.A N SER 195.A O no hydrogen 3.052 N/A GLN 200.A N ALA 196.A O no hydrogen 3.093 N/A GLU 201.A N HIS 197.A O no hydrogen 2.953 N/A LEU 202.A N ASP 198.A O no hydrogen 3.088 N/A ALA 203.A N MET 199.A O no hydrogen 2.909 N/A ALA 204.A N GLN 200.A O no hydrogen 2.838 N/A PHE 205.A N GLU 201.A O no hydrogen 2.950 N/A ILE 206.A N LEU 202.A O no hydrogen 2.857 N/A ALA 207.A N ALA 203.A O no hydrogen 2.926 N/A GLN 208.A N ALA 204.A O no hydrogen 2.833 N/A ARG 209.A N PHE 205.A O no hydrogen 2.983 N/A ARG 209.A NH1 GLU 181.A OE2 no hydrogen 2.698 N/A ARG 209.A NH2 GLU 181.A OE1 no hydrogen 3.229 N/A LYS 210.A N ALA 207.A O no hydrogen 3.089 N/A LEU 211.A N ILE 206.A O no hydrogen 3.250 N/A ILE 214.A N GLN 240.A O no hydrogen 3.017 N/A PHE 215.A N VAL 165.A O no hydrogen 2.910 N/A ILE 216.A N GLY 243.A O no hydrogen 3.205 N/A SER 218.A N LEU 245.A O no hydrogen 2.999 N/A HIS 222.A NE2 GLU 244.A OE2 no hydrogen 2.763 N/A GLU 226.A N HIS 222.A O no hydrogen 3.025 N/A ALA 227.A N LYS 223.A O no hydrogen 2.921 N/A LEU 228.A N ASN 224.A O no hydrogen 2.943 N/A ARG 229.A N VAL 225.A O no hydrogen 2.895 N/A ARG 229.A NE ASP 230.A OD1 no hydrogen 3.111 N/A ARG 229.A NH2 ASP 230.A OD1 no hydrogen 2.719 N/A ARG 229.A NH2 ASP 230.A OD2 no hydrogen 3.453 N/A ASP 230.A N GLU 226.A O no hydrogen 3.106 N/A ALA 231.A N ALA 227.A O no hydrogen 3.080 N/A VAL 232.A N LEU 228.A O no hydrogen 3.005 N/A GLN 233.A N ARG 229.A O no hydrogen 3.128 N/A ALA 234.A N ASP 230.A O no hydrogen 2.988 N/A ARG 235.A N VAL 232.A O no hydrogen 3.147 N/A ARG 235.A NE GLN 200.A OE1 no hydrogen 3.458 N/A ARG 235.A NH2 GLN 200.A OE1 no hydrogen 3.103 N/A GLY 236.A N GLN 233.A O no hydrogen 2.975 N/A HIS 237.A N VAL 232.A O no hydrogen 3.194 N/A HIS 237.A NE2 LEU 211.A O no hydrogen 2.834 N/A GLN 240.A N PRO 212.A O no hydrogen 3.154 N/A GLY 242.A N ILE 214.A O no hydrogen 2.853 N/A LEU 245.A N ILE 216.A O no hydrogen 2.828 N/A PHE 246.A N ASN 267.A OD1 no hydrogen 2.910 N/A SER 247.A OG GLU 217.A OE1 no hydrogen 2.682 N/A GLY 251.A N GLU 257.A O no hydrogen 2.729 N/A THR 255.A N ASP 252.A O no hydrogen 3.266 N/A THR 255.A OG1 ASP 252.A O no hydrogen 2.758 N/A THR 255.A OG1 GLU 257.A OE1 no hydrogen 3.508 N/A SER 256.A OG GLU 257.A OE2 no hydrogen 3.333 N/A GLY 258.A N THR 255.A O no hydrogen 2.966 N/A THR 259.A N SER 256.A O no hydrogen 3.070 N/A THR 259.A OG1 SER 256.A O no hydrogen 2.607 N/A TYR 260.A OH TRP 104.A O no hydrogen 2.768 N/A GLY 262.A N THR 259.A OG1 no hydrogen 2.981 N/A MET 263.A N THR 259.A O no hydrogen 2.843 N/A VAL 264.A N TYR 260.A O no hydrogen 3.088 N/A THR 265.A N VAL 261.A O no hydrogen 2.965 N/A THR 265.A OG1 VAL 261.A O no hydrogen 2.727 N/A HIS 266.A N GLY 262.A O no hydrogen 2.892 N/A HIS 266.A NE2 GLU 244.A O no hydrogen 2.776 N/A ASN 267.A N MET 263.A O no hydrogen 3.070 N/A ASN 267.A ND2 PHE 246.A O no hydrogen 2.789 N/A ILE 268.A N VAL 264.A O no hydrogen 3.023 N/A ASP 269.A N THR 265.A O no hydrogen 3.029 N/A THR 270.A N HIS 266.A O no hydrogen 2.912 N/A THR 270.A OG1 HIS 266.A O no hydrogen 2.697 N/A ILE 271.A N ASN 267.A O no hydrogen 2.901 N/A VAL 272.A N ILE 268.A O no hydrogen 2.916 N/A ALA 273.A N ASP 269.A O no hydrogen 2.965 N/A ALA 274.A N THR 270.A O no hydrogen 3.141 N/A LEU 275.A N ILE 271.A O no hydrogen 2.859 N/A ALA 276.A N VAL 272.A O no hydrogen 2.960 N/A