Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3i0w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASP 84.A OD2 no hydrogen 2.886 N/A ASP 2.A N LEU 81.A O no hydrogen 2.937 N/A ASP 4.A N ARG 16.A O no hydrogen 3.125 N/A GLU 7.A N ILE 14.A O no hydrogen 2.783 N/A LYS 9.A N SER 12.A O no hydrogen 2.747 N/A SER 12.A OG ASP 11.A OD1 no hydrogen 3.455 N/A VAL 13.A N ILE 63.A O no hydrogen 3.042 N/A ILE 14.A N GLU 7.A O no hydrogen 2.813 N/A VAL 15.A N VAL 61.A O no hydrogen 2.707 N/A ARG 16.A N MET 5.A O no hydrogen 2.774 N/A ARG 16.A NE GLU 7.A OE2 no hydrogen 2.651 N/A ARG 16.A NH1 ASP 60.A OD2 no hydrogen 2.950 N/A ARG 16.A NH2 GLU 7.A OE2 no hydrogen 2.792 N/A VAL 18.A N GLU 59.A O no hydrogen 2.931 N/A GLU 19.A N ASP 2.A O no hydrogen 3.039 N/A ASN 20.A ND2 ASP 2.A OD2 no hydrogen 3.050 N/A GLU 22.A N GLY 107.A O no hydrogen 3.205 N/A LYS 24.A NZ TYR 283.A OH no hydrogen 3.047 N/A LYS 24.A NZ GLU 287.A OE1 no hydrogen 3.276 N/A ILE 26.A N GLU 22.A O no hydrogen 3.021 N/A PHE 27.A N LEU 23.A O no hydrogen 2.917 N/A ASP 28.A N LYS 24.A O no hydrogen 2.849 N/A CYS 29.A SG ILE 26.A O no hydrogen 3.489 N/A GLN 31.A NE2 ILE 26.A O no hydrogen 2.909 N/A GLN 31.A NE2 ARG 109.A O no hydrogen 2.835 N/A CYS 32.A SG PHE 27.A O no hydrogen 3.464 N/A ARG 34.A NH1 TYR 156.A O no hydrogen 2.925 N/A ARG 34.A NH2 ASN 138.A OD1 no hydrogen 3.124 N/A ARG 34.A NH2 TYR 156.A O no hydrogen 2.811 N/A TRP 35.A NE1 TYR 78.A OH no hydrogen 2.949 N/A HIS 36.A N.A ILE 44.A O no hydrogen 2.808 N/A HIS 36.A N.B ILE 44.A O no hydrogen 2.794 N/A HIS 36.A ND1.A ARG 37.A O no hydrogen 2.789 N/A GLN 38.A N ASN 42.A O no hydrogen 2.615 N/A GLN 38.A NE2 HIS 36.A O.A no hydrogen 3.070 N/A GLN 38.A NE2 HIS 36.A O.B no hydrogen 3.115 N/A GLU 39.A N GLU 39.A OE2 no hydrogen 2.484 N/A GLY 41.A N GLN 38.A O no hydrogen 2.853 N/A ASN 42.A N ASN 40.A OD1 no hydrogen 2.931 N/A ASN 42.A ND2 GLU 53.A OE2 no hydrogen 3.099 N/A TYR 43.A N VAL 54.A O no hydrogen 3.164 N/A TYR 43.A OH ASP 28.A OD2 no hydrogen 2.460 N/A ILE 44.A N HIS 36.A O.A no hydrogen 2.961 N/A ILE 44.A N HIS 36.A O.B no hydrogen 2.934 N/A GLY 45.A N VAL 52.A O no hydrogen 2.816 N/A ILE 46.A N.A ARG 34.A O no hydrogen 3.266 N/A ILE 46.A N.B ARG 34.A O no hydrogen 3.262 N/A ALA 47.A N LYS 50.A O no hydrogen 3.070 N/A LYS 50.A N ALA 47.A O no hydrogen 2.993 N/A LYS 50.A NZ ASN 65.A O no hydrogen 2.696 N/A LYS 50.A NZ GLU 70.A OE1 no hydrogen 3.198 N/A LYS 50.A NZ GLU 70.A OE2 no hydrogen 2.844 N/A VAL 52.A N GLY 45.A O no hydrogen 2.914 N/A GLU 53.A N TYR 64.A O no hydrogen 3.515 N/A VAL 54.A N TYR 43.A O no hydrogen 2.886 N/A GLN 55.A N VAL 62.A O no hydrogen 2.952 N/A LYS 56.A NZ PHE 21.A O no hydrogen 2.967 N/A LYS 56.A NZ GLY 58.A O no hydrogen 3.353 N/A ILE 57.A N ASP 60.A O no hydrogen 2.854 N/A ASP 60.A N ILE 57.A O no hydrogen 3.059 N/A VAL 61.A N VAL 15.A O no hydrogen 2.952 N/A VAL 62.A N GLN 55.A O no hydrogen 2.763 N/A ILE 63.A N VAL 13.A O no hydrogen 2.873 N/A TYR 64.A N GLU 53.A O no hydrogen 2.765 N/A ASN 65.A N ASP 11.A O no hydrogen 2.938 N/A ASN 65.A ND2 VAL 51.A O no hydrogen 2.775 N/A ASN 67.A N GLU 70.A OE1 no hydrogen 2.975 N/A GLU 68.A N GLU 8.A OE1 no hydrogen 2.688 N/A GLU 70.A N ASN 67.A OD1 no hydrogen 2.827 N/A PHE 71.A N ASN 67.A O no hydrogen 3.029 N/A LYS 72.A N GLU 68.A O no hydrogen 2.990 N/A LYS 72.A NZ GLU 68.A OE2 no hydrogen 3.369 N/A ASN 73.A N GLU 69.A O no hydrogen 3.062 N/A ASN 73.A ND2 GLU 69.A OE2 no hydrogen 2.499 N/A VAL 74.A N GLU 70.A O no hydrogen 2.837 N/A TRP 75.A N GLU 70.A O no hydrogen 3.109 N/A SER 76.A N PHE 71.A O no hydrogen 2.790 N/A SER 76.A OG PHE 71.A O no hydrogen 2.862 N/A SER 76.A OG LYS 72.A O no hydrogen 3.245 N/A SER 76.A OG TYR 82.A OH no hydrogen 3.036 N/A TYR 78.A N VAL 74.A O no hydrogen 3.001 N/A PHE 79.A N TRP 75.A O no hydrogen 3.118 N/A ASP 80.A N GLU 77.A O no hydrogen 2.826 N/A LEU 81.A N SER 76.A O no hydrogen 2.957 N/A TYR 82.A OH SER 76.A OG no hydrogen 3.036 N/A ARG 83.A N.A ASP 80.A O no hydrogen 3.284 N/A ARG 83.A N.B ASP 80.A O no hydrogen 3.288 N/A ARG 83.A NH1.B ASP 80.A OD2 no hydrogen 2.878 N/A ARG 83.A NH1.B TYR 235.A OH no hydrogen 2.796 N/A TYR 85.A N ASP 2.A OD2 no hydrogen 2.979 N/A TYR 85.A OH ASP 80.A OD2 no hydrogen 2.578 N/A GLU 87.A N ASP 84.A O no hydrogen 3.285 N/A LYS 89.A N TYR 85.A O no hydrogen 2.964 N/A LYS 89.A NZ ASN 20.A OD1 no hydrogen 2.719 N/A LYS 89.A NZ GLU 106.A O no hydrogen 2.862 N/A LYS 89.A NZ GLU 106.A OE1 no hydrogen 2.813 N/A LYS 90.A N GLY 86.A O no hydrogen 2.959 N/A GLU 91.A N GLU 87.A O no hydrogen 3.037 N/A LEU 92.A N ILE 88.A O no hydrogen 3.024 N/A SER 93.A N LYS 89.A O no hydrogen 2.885 N/A SER 93.A OG LYS 89.A O no hydrogen 2.823 N/A ARG 94.A N GLU 91.A O no hydrogen 3.206 N/A ASP 95.A N LEU 92.A O no hydrogen 3.054 N/A LEU 97.A N ASP 95.A OD1 no hydrogen 2.929 N/A LEU 98.A N ASP 95.A O no hydrogen 2.918 N/A LYS 99.A N ASP 95.A O no hydrogen 3.324 N/A LYS 99.A NZ ASP 103.A OD2 no hydrogen 2.744 N/A VAL 102.A N LEU 98.A O no hydrogen 2.977 N/A ASP 103.A N LYS 99.A O no hydrogen 2.826 N/A PHE 104.A N LYS 100.A O no hydrogen 3.054 N/A GLY 105.A N SER 101.A O no hydrogen 3.133 N/A GLY 105.A N VAL 102.A O no hydrogen 3.170 N/A GLY 107.A N ASP 25.A OD2 no hydrogen 2.805 N/A ILE 108.A N GLY 105.A O no hydrogen 3.038 N/A ARG 109.A NE PHE 79.A O no hydrogen 2.915 N/A ARG 109.A NH1 ASP 2.A OD2 no hydrogen 2.834 N/A ARG 109.A NH1 ASN 20.A O no hydrogen 2.905 N/A ARG 109.A NH2 ASP 2.A OD2 no hydrogen 3.362 N/A ARG 109.A NH2 ASP 80.A O no hydrogen 2.797 N/A ARG 109.A NH2 ARG 83.A O.A no hydrogen 2.911 N/A ARG 109.A NH2 ARG 83.A O.B no hydrogen 2.949 N/A ILE 110.A N TYR 85.A OH no hydrogen 2.859 N/A LEU 111.A N GLN 31.A OE1 no hydrogen 2.879 N/A ARG 112.A N TYR 78.A O no hydrogen 2.883 N/A ARG 112.A NE ASP 80.A OD1 no hydrogen 2.880 N/A ARG 112.A NH2 ASP 80.A OD1 no hydrogen 2.881 N/A GLN 113.A N PHE 230.A O no hydrogen 2.964 N/A GLN 113.A NE2 GLN 31.A O no hydrogen 2.892 N/A GLU 117.A N ASP 114.A OD2 no hydrogen 3.134 N/A ILE 118.A N ASP 114.A O no hydrogen 2.957 N/A LEU 119.A N PRO 115.A O no hydrogen 2.754 N/A LEU 120.A N PHE 116.A O no hydrogen 3.222 N/A SER 121.A N GLU 117.A O no hydrogen 2.842 N/A SER 121.A OG GLU 117.A O no hydrogen 2.676 N/A PHE 122.A N ILE 118.A O no hydrogen 2.930 N/A ILE 123.A N LEU 119.A O no hydrogen 3.261 N/A ILE 123.A N LEU 120.A O no hydrogen 3.241 N/A ILE 124.A N LEU 120.A O no hydrogen 3.133 N/A SER 125.A N SER 121.A O no hydrogen 3.121 N/A SER 125.A OG PHE 122.A O no hydrogen 2.665 N/A ALA 126.A N ILE 123.A O no hydrogen 3.439 N/A ASN 128.A ND2 ILE 124.A O no hydrogen 2.965 N/A ARG 129.A N ASN 128.A OD1 no hydrogen 2.846 N/A ILE 133.A N ARG 129.A O no hydrogen 3.015 N/A LYS 134.A N ILE 130.A O no hydrogen 2.879 N/A LYS 135.A N PRO 131.A O no hydrogen 3.143 N/A CYS 136.A N MET 132.A O no hydrogen 3.015 N/A CYS 136.A SG CYS 175.A O no hydrogen 3.598 N/A ILE 137.A N ILE 133.A O no hydrogen 3.056 N/A ASN 138.A N LYS 134.A O no hydrogen 2.999 N/A ASN 139.A N LYS 135.A O no hydrogen 2.841 N/A ASN 139.A ND2 CYS 175.A O no hydrogen 3.166 N/A ILE 140.A N CYS 136.A O no hydrogen 2.948 N/A SER 141.A N ILE 137.A O no hydrogen 3.101 N/A SER 141.A OG ILE 137.A O no hydrogen 2.971 N/A GLU 142.A N ASN 138.A O no hydrogen 2.831 N/A LYS 143.A N ASN 139.A O no hydrogen 2.937 N/A ALA 144.A N ILE 140.A O no hydrogen 3.251 N/A GLY 145.A N SER 141.A O no hydrogen 2.604 N/A LEU 148.A N TYR 155.A O no hydrogen 2.745 N/A TYR 150.A N LYS 153.A O no hydrogen 3.070 N/A TYR 150.A OH GLU 53.A OE1 no hydrogen 2.565 N/A LYS 153.A N TYR 150.A O no hydrogen 3.188 N/A TYR 155.A N LEU 148.A O no hydrogen 2.653 N/A ALA 157.A N LYS 146.A O no hydrogen 2.933 N/A LYS 163.A N THR 160.A OG1 no hydrogen 3.204 N/A LEU 164.A N THR 160.A O no hydrogen 2.986 N/A HIS 165.A N VAL 161.A O no hydrogen 2.906 N/A GLU 166.A N LYS 163.A O no hydrogen 3.121 N/A PHE 167.A N LEU 164.A O no hydrogen 3.141 N/A THR 168.A N ASP 171.A OD2 no hydrogen 2.861 N/A THR 168.A OG1 ASP 171.A OD2 no hydrogen 3.098 N/A ASP 171.A N THR 168.A OG1 no hydrogen 3.078 N/A PHE 172.A N THR 168.A O no hydrogen 3.320 N/A GLU 173.A N GLU 169.A O no hydrogen 3.046 N/A GLU 174.A N LYS 170.A O no hydrogen 2.889 N/A CYS 175.A N ASP 171.A O no hydrogen 3.191 N/A CYS 175.A N PHE 172.A O no hydrogen 3.100 N/A CYS 175.A SG ASP 171.A O no hydrogen 3.430 N/A THR 176.A N GLU 173.A O no hydrogen 2.900 N/A ALA 177.A N PHE 172.A O no hydrogen 3.143 N/A ARG 180.A N ALA 177.A O no hydrogen 3.166 N/A ARG 180.A NE ALA 126.A O no hydrogen 2.861 N/A ARG 180.A NH1 ALA 177.A O no hydrogen 2.941 N/A ARG 180.A NH2 ALA 126.A O no hydrogen 3.013 N/A ARG 180.A NH2 ASN 127.A O no hydrogen 2.936 N/A ALA 181.A N GLY 178.A O no hydrogen 3.118 N/A LYS 182.A NZ PHE 179.A O no hydrogen 2.740 N/A LEU 184.A N ARG 180.A O no hydrogen 3.003 N/A LYS 185.A N ALA 181.A O no hydrogen 3.015 N/A LYS 185.A NZ ASP 189.A OD1 no hydrogen 3.320 N/A LYS 185.A NZ ASP 189.A OD2 no hydrogen 3.032 N/A ASP 186.A N LYS 182.A O no hydrogen 3.027 N/A THR 187.A N TYR 183.A O no hydrogen 2.913 N/A THR 187.A OG1 TYR 183.A O no hydrogen 2.847 N/A VAL 188.A N LEU 184.A O no hydrogen 2.912 N/A ASP 189.A N LYS 185.A O no hydrogen 3.045 N/A ARG 190.A N ASP 186.A O no hydrogen 3.094 N/A ARG 190.A NE GLU 195.A OE2 no hydrogen 2.812 N/A ARG 190.A NH1 LYS 215.A O no hydrogen 2.804 N/A ARG 190.A NH2 GLU 195.A OE2 no hydrogen 2.571 N/A ILE 191.A N THR 187.A O no hydrogen 3.087 N/A TYR 192.A N VAL 188.A O no hydrogen 2.838 N/A ASN 193.A N ASP 189.A O no hydrogen 2.979 N/A GLY 194.A N ILE 191.A O no hydrogen 3.152 N/A GLU 195.A N ASN 193.A OD1 no hydrogen 2.996 N/A LEU 196.A N ARG 190.A O no hydrogen 3.316 N/A TYR 200.A N ASN 197.A OD1 no hydrogen 2.898 N/A ILE 201.A N ASN 197.A O no hydrogen 2.959 N/A LYS 202.A N LEU 198.A O no hydrogen 2.854 N/A LYS 202.A NZ SER 231.A O no hydrogen 3.013 N/A LYS 202.A NZ GLN 233.A OE1 no hydrogen 3.486 N/A SER 203.A N TYR 200.A O no hydrogen 3.044 N/A SER 203.A OG TYR 200.A O no hydrogen 2.579 N/A LEU 204.A N ILE 201.A O no hydrogen 3.166 N/A ASN 205.A ND2 GLU 208.A OE1 no hydrogen 3.073 N/A GLU 208.A N ASN 205.A OD1 no hydrogen 2.946 N/A CYS 209.A N ASN 205.A O no hydrogen 2.866 N/A CYS 209.A SG ILE 201.A O no hydrogen 3.501 N/A HIS 210.A N ASP 206.A O no hydrogen 3.058 N/A GLU 211.A N ASN 207.A O no hydrogen 3.140 N/A GLU 212.A N GLU 208.A O no hydrogen 3.075 N/A LEU 213.A N CYS 209.A O no hydrogen 3.017 N/A LYS 214.A N HIS 210.A O no hydrogen 3.179 N/A LYS 215.A N GLU 212.A O no hydrogen 3.004 N/A LYS 215.A NZ GLU 212.A OE1 no hydrogen 2.821 N/A LYS 215.A NZ GLU 212.A OE2 no hydrogen 3.500 N/A PHE 216.A N LEU 213.A O no hydrogen 3.173 N/A VAL 219.A N PHE 216.A O no hydrogen 3.155 N/A ALA 224.A N GLY 220.A O no hydrogen 2.940 N/A ASP 225.A N PRO 221.A O no hydrogen 3.159 N/A CYS 226.A N GLN 222.A O.A no hydrogen 3.026 N/A CYS 226.A N GLN 222.A O.B no hydrogen 3.043 N/A CYS 226.A SG GLN 222.A O.A no hydrogen 3.553 N/A CYS 226.A SG GLN 222.A O.B no hydrogen 3.545 N/A CYS 226.A SG GLN 222.A OE1.A no hydrogen 3.705 N/A ILE 227.A N VAL 223.A O no hydrogen 2.903 N/A MET 228.A N ALA 224.A O no hydrogen 2.965 N/A LEU 229.A N ASP 225.A O no hydrogen 2.932 N/A PHE 230.A N CYS 226.A O no hydrogen 2.868 N/A SER 231.A N ILE 227.A O no hydrogen 2.978 N/A SER 231.A OG ILE 227.A O no hydrogen 2.738 N/A MET 232.A N MET 228.A O no hydrogen 3.055 N/A LYS 234.A N MET 228.A O no hydrogen 3.036 N/A LYS 234.A NZ LYS 202.A O no hydrogen 2.849 N/A LYS 234.A NZ LEU 204.A O no hydrogen 2.721 N/A SER 236.A N ASP 206.A OD2 no hydrogen 3.062 N/A SER 236.A OG ASP 206.A OD2 no hydrogen 2.571 N/A ALA 237.A N LYS 234.A O no hydrogen 3.217 N/A PHE 238.A N ASP 225.A OD2 no hydrogen 3.047 N/A VAL 244.A N ASP 241.A OD2 no hydrogen 2.899 N/A LYS 245.A N ASP 241.A O no hydrogen 2.979 N/A LYS 245.A NZ THR 242.A O no hydrogen 2.875 N/A LYS 246.A N THR 242.A O no hydrogen 3.085 N/A ALA 247.A N TRP 243.A O no hydrogen 2.959 N/A MET 248.A N VAL 244.A O no hydrogen 2.859 N/A MET 249.A N LYS 245.A O no hydrogen 2.940 N/A SER 250.A N LYS 246.A O no hydrogen 3.074 N/A SER 250.A N ALA 247.A O no hydrogen 3.263 N/A LEU 251.A N ALA 247.A O no hydrogen 3.208 N/A TYR 252.A N MET 248.A O no hydrogen 2.772 N/A TYR 252.A OH ASP 95.A OD2 no hydrogen 2.720 N/A VAL 253.A N MET 248.A O no hydrogen 2.879 N/A VAL 257.A N ALA 254.A O no hydrogen 3.392 N/A LYS 260.A NZ ASP 264.A OD2 no hydrogen 2.903 N/A LYS 261.A N SER 258.A OG no hydrogen 3.189 N/A ILE 262.A N SER 258.A O no hydrogen 2.993 N/A ARG 263.A N LEU 259.A O no hydrogen 2.893 N/A ARG 263.A NE ASP 225.A OD2 no hydrogen 2.707 N/A ARG 263.A NH2 ASP 225.A OD1 no hydrogen 2.957 N/A ARG 263.A NH2 ASP 225.A OD2 no hydrogen 3.507 N/A ASP 264.A N LYS 260.A O no hydrogen 2.929 N/A PHE 265.A N LYS 261.A O no hydrogen 2.936 N/A GLY 266.A N ILE 262.A O no hydrogen 2.946 N/A ARG 267.A N ARG 263.A O no hydrogen 2.966 N/A ARG 267.A NE SER 236.A O no hydrogen 2.792 N/A ARG 267.A NH1 ASN 207.A OD1 no hydrogen 3.130 N/A ARG 267.A NH2 ASN 207.A OD1 no hydrogen 2.867 N/A ARG 267.A NH2 SER 236.A OG no hydrogen 2.898 N/A GLU 268.A N ASP 264.A O no hydrogen 3.003 N/A LYS 269.A N PHE 265.A O no hydrogen 3.025 N/A PHE 270.A N GLY 266.A O no hydrogen 2.846 N/A GLY 271.A N ARG 267.A O no hydrogen 2.928 N/A LEU 273.A N PHE 270.A O no hydrogen 2.996 N/A SER 274.A N GLY 271.A O no hydrogen 3.075 N/A SER 274.A OG GLY 266.A O no hydrogen 3.518 N/A SER 274.A OG GLY 271.A O no hydrogen 2.748 N/A GLY 275.A N TYR 235.A O no hydrogen 2.802 N/A ALA 277.A N LEU 273.A O no hydrogen 2.981 N/A GLN 278.A N SER 274.A O no hydrogen 2.860 N/A GLN 278.A NE2 GLY 275.A O no hydrogen 3.201 N/A GLN 278.A NE2 GLN 279.A OE1 no hydrogen 2.919 N/A GLN 279.A N GLY 275.A O no hydrogen 3.166 N/A GLN 279.A NE2 CYS 29.A O no hydrogen 2.869 N/A TYR 280.A N PHE 276.A O no hydrogen 3.117 N/A LEU 281.A N ALA 277.A O no hydrogen 3.019 N/A PHE 282.A N GLN 278.A O no hydrogen 2.794 N/A TYR 283.A N GLN 279.A O no hydrogen 3.017 N/A TYR 283.A OH ASP 25.A OD1 no hydrogen 3.391 N/A TYR 284.A N TYR 280.A O no hydrogen 3.125 N/A ALA 285.A N LEU 281.A O no hydrogen 2.990 N/A ARG 286.A N PHE 282.A O no hydrogen 2.923 N/A GLU 287.A N TYR 283.A O no hydrogen 3.055 N/A ASN 288.A N TYR 284.A O no hydrogen 3.121 N/A ASN 288.A ND2 TYR 284.A O no hydrogen 2.886 N/A ASN 289.A N ARG 286.A O no hydrogen 3.180 N/A ILE 290.A N ALA 285.A O no hydrogen 3.110 N/A