Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3w7o_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 2.A N ARG 300.A O no hydrogen 2.771 N/A CYS 2.A SG LYS 4.A O no hydrogen 3.921 N/A LEU 5.A N PHE 12.A O no hydrogen 2.951 N/A LEU 7.A N HIS 10.A O no hydrogen 3.048 N/A HIS 10.A N LEU 7.A O no hydrogen 2.898 N/A PHE 12.A N LEU 5.A O no hydrogen 3.057 N/A ASN 14.A ND2 SER 37.A O.A no hydrogen 2.865 N/A ASN 14.A ND2 SER 37.A O.B no hydrogen 2.863 N/A PHE 16.A N ASN 14.A OD1 no hydrogen 2.914 N/A MET 17.A N VAL 269.A O no hydrogen 3.044 N/A ASN 18.A ND2 ALA 19.A O no hydrogen 3.318 N/A ASN 18.A ND2 VAL 22.A O no hydrogen 3.217 N/A ASN 18.A ND2 VAL 42.A O no hydrogen 2.945 N/A ALA 19.A N VAL 271.A O no hydrogen 2.949 N/A VAL 22.A N ALA 19.A O no hydrogen 3.058 N/A CYS 24.A SG VAL 22.A O no hydrogen 3.390 N/A SER 25.A N ASP 29.A OD2 no hydrogen 2.928 N/A THR 26.A N ASP 29.A OD2 no hydrogen 3.144 N/A ASP 29.A N THR 26.A OG1 no hydrogen 2.970 N/A LEU 30.A N THR 26.A O no hydrogen 3.016 N/A ARG 31.A N GLU 27.A O no hydrogen 2.917 N/A ARG 31.A NE GLU 27.A OE2 no hydrogen 3.067 N/A ARG 31.A NH2 GLU 27.A OE2 no hydrogen 2.849 N/A CYS 32.A N GLU 28.A O no hydrogen 2.933 N/A MET 33.A N ASP 29.A O no hydrogen 2.877 N/A THR 34.A N LEU 30.A O no hydrogen 2.852 N/A THR 34.A OG1 LEU 30.A O no hydrogen 2.910 N/A THR 34.A OG1 TYR 83.A OH no hydrogen 3.275 N/A THR 34.A OG1 HIS 88.A NE2 no hydrogen 3.399 N/A ALA 35.A N ARG 31.A O no hydrogen 2.910 N/A SER 36.A N CYS 32.A O no hydrogen 3.036 N/A SER 36.A N MET 33.A O no hydrogen 3.299 N/A SER 36.A OG MET 33.A O no hydrogen 2.816 N/A SER 37.A OG.A GLU 287.A OE1 no hydrogen 3.323 N/A SER 37.A OG.A GLU 287.A OE2 no hydrogen 3.451 N/A SER 38.A N SER 36.A OG no hydrogen 3.071 N/A SER 38.A OG SER 36.A OG no hydrogen 3.200 N/A SER 38.A OG ALA 40.A O no hydrogen 2.770 N/A GLY 39.A N PHE 16.A O no hydrogen 2.723 N/A ALA 40.A N PHE 16.A O no hydrogen 3.272 N/A LEU 41.A N PRO 94.A O no hydrogen 3.302 N/A VAL 42.A N ASN 18.A OD1 no hydrogen 2.888 N/A SER 43.A N PHE 96.A O no hydrogen 2.944 N/A SER 43.A OG PHE 96.A O no hydrogen 3.482 N/A LYS 44.A N CYS 24.A O no hydrogen 3.078 N/A SER 45.A OG SER 98.A OG no hydrogen 2.586 N/A CYS 46.A N SER 98.A O no hydrogen 3.231 N/A CYS 46.A SG SER 98.A O no hydrogen 3.578 N/A THR 47.A N ASN 74.A OD1 no hydrogen 3.218 N/A THR 47.A OG1 ALA 49.A O no hydrogen 2.624 N/A SER 48.A N GLU 106.A OE2 no hydrogen 2.906 N/A ARG 51.A N ASN 74.A O no hydrogen 2.983 N/A ARG 51.A NE GLY 71.A O no hydrogen 3.200 N/A ARG 51.A NE LEU 72.A O no hydrogen 3.319 N/A ARG 51.A NH2 GLY 71.A O no hydrogen 2.953 N/A ASN 54.A N MET 70.A O no hydrogen 2.801 N/A ASN 54.A ND2 SER 69.A O.A no hydrogen 2.915 N/A ASN 54.A ND2 SER 69.A O.B no hydrogen 2.926 N/A ARG 58.A NH1 ASP 52.A O no hydrogen 2.984 N/A ARG 58.A NH1 ASN 54.A O no hydrogen 2.841 N/A TYR 59.A OH GLU 277.A OE2 no hydrogen 2.684 N/A MET 60.A N ILE 67.A O no hydrogen 3.063 N/A PHE 62.A N GLY 65.A O no hydrogen 2.811 N/A GLY 65.A N PHE 62.A O no hydrogen 3.057 N/A SER 66.A N GLY 222.A O no hydrogen 2.938 N/A SER 66.A OG THR 273.A OG1 no hydrogen 2.718 N/A ILE 67.A N MET 60.A O no hydrogen 3.021 N/A ASN 68.A N GLY 220.A O no hydrogen 2.969 N/A SER 69.A N.A ARG 58.A O no hydrogen 2.879 N/A SER 69.A N.B ARG 58.A O no hydrogen 2.886 N/A SER 69.A OG.B ASN 68.A O no hydrogen 3.162 N/A SER 69.A OG.B PHE 218.A O no hydrogen 2.723 N/A MET 70.A N ASN 68.A OD1 no hydrogen 3.368 N/A ASN 74.A N ARG 51.A O no hydrogen 3.007 N/A ASN 74.A ND2 THR 47.A OG1 no hydrogen 2.946 N/A ASN 74.A ND2 LEU 72.A O no hydrogen 2.994 N/A LEU 75.A N TYR 80.A OH no hydrogen 3.004 N/A GLY 76.A N ASN 74.A OD1 no hydrogen 2.767 N/A PHE 77.A N THR 47.A O no hydrogen 2.866 N/A TYR 80.A N GLY 76.A O no hydrogen 3.501 N/A TYR 80.A OH SER 25.A O no hydrogen 2.670 N/A LEU 81.A N PHE 77.A O no hydrogen 2.836 N/A LYS 82.A N ASP 78.A O no hydrogen 2.964 N/A TYR 83.A N PHE 79.A O no hydrogen 2.994 N/A ALA 84.A N TYR 80.A O no hydrogen 2.957 N/A SER 85.A N.A LEU 81.A O no hydrogen 2.782 N/A SER 85.A N.B LEU 81.A O no hydrogen 2.771 N/A SER 85.A OG.A LEU 81.A O no hydrogen 3.226 N/A SER 85.A OG.A LYS 82.A O no hydrogen 3.442 N/A SER 85.A OG.A ASP 86.A OD1 no hydrogen 3.020 N/A SER 85.A OG.B ASP 86.A OD1 no hydrogen 2.975 N/A ASP 86.A N LYS 82.A O no hydrogen 2.725 N/A LEU 87.A N TYR 83.A O no hydrogen 3.000 N/A HIS 88.A N TYR 83.A O no hydrogen 2.853 N/A TYR 90.A OH ALA 84.A O no hydrogen 2.617 N/A SER 91.A N ASP 89.A OD1 no hydrogen 2.909 N/A SER 91.A OG ASP 89.A OD1 no hydrogen 2.639 N/A SER 91.A OG ASP 89.A OD2 no hydrogen 3.299 N/A LYS 92.A N ASP 89.A O no hydrogen 3.033 N/A LYS 93.A NZ MET 33.A O no hydrogen 2.790 N/A LYS 93.A NZ THR 34.A O no hydrogen 3.080 N/A LYS 93.A NZ SER 36.A O no hydrogen 2.860 N/A LYS 93.A NZ SER 38.A O no hydrogen 2.976 N/A LYS 93.A NZ SER 38.A OG no hydrogen 2.878 N/A PHE 96.A N LEU 41.A O no hydrogen 2.903 N/A LEU 97.A N LEU 124.A O no hydrogen 2.779 N/A SER 98.A OG SER 45.A OG no hydrogen 2.586 N/A SER 98.A OG GLU 126.A O no hydrogen 3.513 N/A ILE 99.A N GLU 126.A O no hydrogen 3.038 N/A SER 100.A N CYS 46.A O no hydrogen 2.826 N/A GLY 101.A N ASN 107.A OD1 no hydrogen 2.810 N/A LEU 102.A N GLU 106.A OE1 no hydrogen 2.779 N/A GLU 106.A N SER 103.A OG no hydrogen 3.227 N/A ASN 107.A N SER 103.A O no hydrogen 3.174 N/A VAL 108.A N VAL 104.A O no hydrogen 2.949 N/A ALA 109.A N GLU 105.A O no hydrogen 3.033 N/A MET 110.A N GLU 106.A O no hydrogen 3.177 N/A VAL 111.A N ASN 107.A O no hydrogen 2.971 N/A ARG 112.A N VAL 108.A O no hydrogen 3.101 N/A ARG 113.A NH1 ASP 78.A OD1 no hydrogen 3.038 N/A ARG 113.A NH2 ASP 78.A OD1 no hydrogen 3.194 N/A LEU 114.A N MET 110.A O no hydrogen 2.968 N/A ALA 115.A N VAL 111.A O no hydrogen 3.121 N/A ALA 118.A N LEU 114.A O no hydrogen 2.909 N/A GLN 119.A N ALA 115.A O no hydrogen 2.894 N/A GLU 120.A N.A PRO 116.A O no hydrogen 3.017 N/A GLU 120.A N.B PRO 116.A O no hydrogen 2.986 N/A LYS 121.A N VAL 117.A O no hydrogen 2.736 N/A GLY 122.A N ALA 118.A O no hydrogen 2.908 N/A LEU 124.A N LEU 95.A O no hydrogen 2.940 N/A GLU 126.A N LEU 97.A O no hydrogen 2.918 N/A LEU 127.A N GLY 163.A O no hydrogen 2.808 N/A ASN 128.A N ILE 99.A O no hydrogen 2.930 N/A LEU 129.A N LYS 165.A O no hydrogen 3.193 N/A SER 130.A N ASN 128.A OD1 no hydrogen 3.056 N/A SER 130.A OG ASN 128.A OD1 no hydrogen 3.289 N/A SER 130.A OG LYS 165.A O no hydrogen 2.924 N/A CYS 131.A SG.A ASN 128.A O no hydrogen 3.199 N/A CYS 131.A SG.A PRO 132.A O no hydrogen 3.999 N/A CYS 131.A SG.B SER 100.A O no hydrogen 3.978 N/A CYS 131.A SG.B SER 100.A OG no hydrogen 2.952 N/A CYS 131.A SG.B GLY 101.A O no hydrogen 3.766 N/A CYS 131.A SG.B PRO 132.A O no hydrogen 3.696 N/A LYS 137.A N VAL 134.A O no hydrogen 3.084 N/A VAL 140.A N CYS 131.A O.A no hydrogen 3.028 N/A VAL 140.A N CYS 131.A O.B no hydrogen 3.073 N/A ALA 141.A N LEU 129.A O no hydrogen 3.020 N/A TYR 142.A N GLN 139.A O no hydrogen 2.857 N/A TYR 142.A OH PRO 168.A O no hydrogen 2.505 N/A ASP 143.A N VAL 140.A O no hydrogen 2.923 N/A ALA 146.A N ASP 143.A OD1 no hydrogen 3.372 N/A MET 147.A N ASP 143.A O no hydrogen 2.814 N/A ARG 148.A N PHE 144.A O no hydrogen 3.012 N/A ARG 148.A NE GLU 184.A OE1 no hydrogen 3.005 N/A ARG 148.A NE GLU 184.A OE2 no hydrogen 3.427 N/A ARG 148.A NH1 GLU 145.A OE2 no hydrogen 2.767 N/A ARG 148.A NH2 GLU 184.A OE2 no hydrogen 3.003 N/A THR 149.A N GLU 145.A O no hydrogen 3.117 N/A THR 149.A OG1 GLU 145.A O no hydrogen 3.275 N/A TYR 150.A N ALA 146.A O no hydrogen 2.886 N/A TYR 150.A OH ASN 133.A OD1 no hydrogen 3.102 N/A LEU 151.A N MET 147.A O no hydrogen 3.002 N/A GLN 152.A N ARG 148.A O no hydrogen 2.899 N/A GLN 153.A N THR 149.A O no hydrogen 3.080 N/A VAL 154.A N TYR 150.A O no hydrogen 2.945 N/A SER 155.A N LEU 151.A O no hydrogen 2.880 N/A SER 155.A OG LEU 151.A O no hydrogen 2.810 N/A LEU 156.A N GLN 152.A O no hydrogen 3.021 N/A ALA 157.A N GLN 153.A O no hydrogen 2.938 N/A TYR 158.A N VAL 154.A O no hydrogen 2.895 N/A GLY 159.A N SER 155.A O no hydrogen 2.981 N/A PHE 162.A N LEU 187.A O no hydrogen 2.857 N/A GLY 163.A N LEU 125.A O no hydrogen 2.928 N/A VAL 164.A N PHE 190.A O no hydrogen 3.065 N/A LYS 165.A N LEU 127.A O no hydrogen 2.832 N/A MET 166.A N THR 192.A O no hydrogen 2.994 N/A TYR 169.A N ASN 233.A OD1 no hydrogen 2.955 N/A TYR 169.A OH ALA 141.A O no hydrogen 2.686 N/A ALA 173.A N ASP 171.A OD1 no hydrogen 2.740 N/A PHE 175.A N ASP 171.A O no hydrogen 3.168 N/A ASP 176.A N ILE 172.A O no hydrogen 2.874 N/A THR 177.A N ALA 173.A O no hydrogen 2.924 N/A THR 177.A OG1 ALA 173.A O no hydrogen 2.940 N/A ALA 178.A N HIS 174.A O no hydrogen 2.771 N/A ALA 179.A N PHE 175.A O no hydrogen 2.984 N/A ALA 180.A N ASP 176.A O no hydrogen 3.069 N/A VAL 181.A N THR 177.A O no hydrogen 2.963 N/A LEU 182.A N ALA 178.A O no hydrogen 2.999 N/A ASN 183.A N ALA 179.A O no hydrogen 2.859 N/A ASN 183.A ND2 ARG 240.A O no hydrogen 3.036 N/A GLU 184.A N VAL 181.A O no hydrogen 2.981 N/A PHE 185.A N LEU 182.A O no hydrogen 3.076 N/A VAL 188.A N PHE 185.A O no hydrogen 3.053 N/A LYS 189.A N PHE 162.A O no hydrogen 2.766 N/A LYS 189.A NZ PRO 186.A O no hydrogen 2.668 N/A VAL 191.A N LEU 245.A O no hydrogen 2.929 N/A THR 192.A N VAL 164.A O no hydrogen 2.777 N/A THR 192.A OG1 GLU 126.A OE2 no hydrogen 2.850 N/A CYS 193.A N PHE 247.A O no hydrogen 2.858 N/A CYS 193.A SG ASN 233.A O no hydrogen 3.940 N/A VAL 194.A N CYS 249.A O no hydrogen 2.849 N/A ASN 195.A N MET 166.A O no hydrogen 2.824 N/A ASN 195.A ND2 ASN 128.A OD1 no hydrogen 3.405 N/A ASN 195.A ND2 SER 130.A OG no hydrogen 3.188 N/A SER 196.A N ASN 195.A OD1 no hydrogen 2.763 N/A SER 196.A OG ASN 195.A OD1 no hydrogen 3.447 N/A VAL 197.A N LEU 221.A O no hydrogen 2.940 N/A GLY 200.A N GLY 219.A O no hydrogen 2.856 N/A ASP 204.A N SER 209.A O no hydrogen 2.886 N/A SER 207.A N ASP 204.A OD2 no hydrogen 2.941 N/A SER 207.A OG ASP 204.A OD2 no hydrogen 2.703 N/A GLU 208.A N ASP 204.A O no hydrogen 2.799 N/A SER 209.A OG VAL 210.A O no hydrogen 2.709 N/A LYS 213.A N PRO 57.A O no hydrogen 2.929 N/A LYS 215.A NZ ASN 199.A OD1 no hydrogen 2.712 N/A GLY 217.A N PRO 214.A O no hydrogen 2.897 N/A PHE 218.A N LYS 215.A O no hydrogen 3.026 N/A GLY 219.A N GLY 200.A O no hydrogen 2.932 N/A GLY 220.A N ASN 68.A O no hydrogen 2.867 N/A LEU 221.A N VAL 197.A O no hydrogen 2.865 N/A GLY 222.A N SER 66.A O no hydrogen 2.977 N/A TYR 225.A N LEU 64.A O no hydrogen 3.035 N/A ILE 226.A N GLY 223.A O no hydrogen 2.957 N/A ALA 230.A N ILE 226.A O no hydrogen 2.851 N/A LEU 231.A N LEU 227.A O no hydrogen 2.807 N/A ALA 232.A N PRO 228.A O no hydrogen 3.114 N/A ASN 233.A N THR 229.A O no hydrogen 3.189 N/A ASN 233.A ND2 TYR 169.A O no hydrogen 3.231 N/A ASN 233.A ND2 THR 229.A O no hydrogen 2.962 N/A VAL 234.A N ALA 230.A O no hydrogen 2.902 N/A ASN 235.A N LEU 231.A O no hydrogen 2.961 N/A ALA 236.A N ALA 232.A O no hydrogen 2.790 N/A PHE 237.A N ASN 233.A O no hydrogen 3.036 N/A TYR 238.A N VAL 234.A O no hydrogen 2.862 N/A ARG 239.A N ASN 235.A O no hydrogen 2.907 N/A ARG 240.A N ALA 236.A O no hydrogen 3.124 N/A ARG 240.A NE ASP 176.A OD1 no hydrogen 2.870 N/A ARG 240.A NH1 ALA 236.A O no hydrogen 3.070 N/A ARG 240.A NH2 ASP 176.A OD1 no hydrogen 2.866 N/A CYS 241.A N PHE 237.A O no hydrogen 2.914 N/A CYS 241.A SG ASN 183.A OD1 no hydrogen 3.591 N/A LYS 244.A N CYS 241.A O no hydrogen 3.116 N/A LYS 244.A NZ LEU 182.A O no hydrogen 3.165 N/A LYS 244.A NZ PHE 185.A O no hydrogen 2.971 N/A LYS 244.A NZ VAL 188.A O no hydrogen 2.840 N/A LEU 245.A N LYS 189.A O no hydrogen 2.948 N/A PHE 247.A N VAL 191.A O no hydrogen 2.801 N/A GLY 248.A N MET 268.A O no hydrogen 2.906 N/A CYS 249.A N CYS 193.A O no hydrogen 2.856 N/A CYS 249.A SG VAL 194.A O no hydrogen 3.764 N/A CYS 249.A SG GLN 270.A OE1 no hydrogen 3.701 N/A TYR 253.A N ASP 257.A OD2 no hydrogen 2.839 N/A GLY 255.A N GLU 289.A OE1 no hydrogen 2.779 N/A ASP 257.A N SER 254.A OG no hydrogen 3.013 N/A ALA 258.A N SER 254.A O no hydrogen 3.066 N/A PHE 259.A N GLY 255.A O no hydrogen 2.788 N/A LEU 260.A N GLU 256.A O no hydrogen 3.036 N/A HIS 261.A N ASP 257.A O no hydrogen 3.066 N/A HIS 261.A NE2 GLY 250.A O no hydrogen 2.995 N/A ILE 262.A N ALA 258.A O no hydrogen 2.937 N/A LEU 263.A N PHE 259.A O no hydrogen 2.861 N/A ALA 264.A N LEU 260.A O no hydrogen 2.912 N/A GLY 265.A N ILE 262.A O no hydrogen 2.896 N/A ALA 266.A N HIS 261.A O no hydrogen 2.990 N/A SER 267.A N VAL 246.A O no hydrogen 2.736 N/A VAL 269.A N PRO 15.A O no hydrogen 2.835 N/A GLN 270.A N GLY 248.A O no hydrogen 2.765 N/A GLN 270.A NE2 GLU 126.A OE2 no hydrogen 3.252 N/A VAL 271.A N MET 17.A O no hydrogen 2.950 N/A THR 273.A OG1 SER 66.A OG no hydrogen 2.718 N/A GLN 276.A N GLY 272.A O no hydrogen 2.874 N/A GLU 277.A N THR 273.A O no hydrogen 2.929 N/A GLU 278.A N ALA 274.A O no hydrogen 2.867 N/A GLY 279.A N LEU 275.A O no hydrogen 2.813 N/A ILE 282.A N GLY 279.A O no hydrogen 3.030 N/A PHE 283.A N PRO 280.A O no hydrogen 3.236 N/A THR 284.A N GLY 281.A O no hydrogen 3.166 N/A THR 284.A OG1 GLY 281.A O no hydrogen 3.094 N/A ARG 285.A NE GLU 278.A OE2 no hydrogen 3.059 N/A ARG 285.A NH1 TYR 253.A O no hydrogen 2.951 N/A ARG 285.A NH1 GLU 289.A OE2 no hydrogen 2.982 N/A ARG 285.A NH2 TYR 253.A O no hydrogen 2.742 N/A ARG 285.A NH2 GLU 278.A OE1 no hydrogen 2.755 N/A LEU 286.A N ILE 282.A O no hydrogen 2.761 N/A GLU 287.A N PHE 283.A O no hydrogen 2.997 N/A ASP 288.A N THR 284.A O no hydrogen 3.009 N/A GLU 289.A N ARG 285.A O no hydrogen 2.839 N/A LEU 290.A N LEU 286.A O no hydrogen 2.931 N/A LEU 291.A N GLU 287.A O no hydrogen 3.028 N/A GLU 292.A N ASP 288.A O no hydrogen 2.977 N/A ILE 293.A N GLU 289.A O no hydrogen 3.233 N/A MET 294.A N LEU 290.A O no hydrogen 2.932 N/A ALA 295.A N LEU 291.A O no hydrogen 2.836 N/A ARG 296.A N GLU 292.A O no hydrogen 3.022 N/A LYS 297.A N ILE 293.A O no hydrogen 3.153 N/A LYS 297.A N MET 294.A O no hydrogen 3.148 N/A GLY 298.A N ALA 295.A O no hydrogen 3.199 N/A TYR 299.A N MET 294.A O no hydrogen 2.958 N/A ARG 300.A N GLU 304.A OE1.A no hydrogen 2.987 N/A ARG 300.A N GLU 304.A OE1.B no hydrogen 2.643 N/A THR 301.A N GLU 304.A OE1.B no hydrogen 3.263 N/A GLU 303.A N GLU 303.A OE2 no hydrogen 2.898 N/A GLU 304.A N.A THR 301.A O no hydrogen 3.280 N/A GLU 304.A N.B THR 301.A O no hydrogen 3.281 N/A PHE 305.A N LEU 302.A O no hydrogen 3.097 N/A ARG 306.A N LEU 302.A O no hydrogen 2.902 N/A ARG 306.A NE ALA 266.A O no hydrogen 3.143 N/A GLY 307.A N ILE 262.A O no hydrogen 2.861 N/A ARG 308.A N.A PHE 305.A O no hydrogen 2.999 N/A ARG 308.A N.B PHE 305.A O no hydrogen 3.003 N/A VAL 309.A N LEU 263.A O no hydrogen 3.102 N/A