Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3fju_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A N THR 5.A OG1 no hydrogen 2.982 N/A THR 3.A N GLU 27.A OE1 no hydrogen 2.863 N/A THR 3.A OG1 GLU 27.A OE2 no hydrogen 2.521 N/A ASP 4.A N SER 2.A OG no hydrogen 2.966 N/A THR 5.A N SER 2.A O no hydrogen 3.062 N/A THR 5.A OG1 SER 2.A O no hydrogen 3.050 N/A PHE 6.A N SER 2.A O no hydrogen 3.225 N/A TYR 8.A OH THR 3.A O no hydrogen 2.696 N/A ALA 9.A N ASN 7.A OD1 no hydrogen 2.916 N/A THR 10.A OG1.A ASN 7.A O no hydrogen 3.265 N/A TYR 11.A OH LEU 280.A O no hydrogen 2.707 N/A HIS 12.A ND1 GLU 16.A OE1 no hydrogen 2.989 N/A HIS 12.A NE2 ASN 7.A O no hydrogen 2.761 N/A THR 13.A N GLU 16.A OE1 no hydrogen 3.023 N/A GLU 16.A N THR 13.A OG1 no hydrogen 3.038 N/A ILE 17.A N THR 13.A O no hydrogen 2.990 N/A TYR 18.A N LEU 14.A O no hydrogen 2.873 N/A TYR 18.A OH PRO 45.A O no hydrogen 2.674 N/A ASP 19.A N GLU 15.A O no hydrogen 2.947 N/A PHE 20.A N GLU 16.A O no hydrogen 3.031 N/A LEU 21.A N ILE 17.A O no hydrogen 3.001 N/A ASP 22.A N TYR 18.A O no hydrogen 3.215 N/A LEU 23.A N ASP 19.A O no hydrogen 2.930 N/A LEU 24.A N PHE 20.A O no hydrogen 2.888 N/A VAL 25.A N LEU 21.A O no hydrogen 3.121 N/A ALA 26.A N ASP 22.A O no hydrogen 2.913 N/A GLU 27.A N LEU 23.A O no hydrogen 2.914 N/A ASN 28.A N LEU 24.A O no hydrogen 3.063 N/A ASN 28.A N VAL 25.A O no hydrogen 3.159 N/A ASN 28.A ND2 LEU 24.A O no hydrogen 3.064 N/A LEU 31.A N ASN 28.A O no hydrogen 3.090 N/A VAL 32.A N ASN 28.A O no hydrogen 2.859 N/A SER 33.A N LYS 50.A O no hydrogen 2.973 N/A LYS 34.A NZ ASP 22.A OD2 no hydrogen 2.831 N/A ILE 35.A N VAL 48.A O no hydrogen 2.817 N/A GLN 36.A NE2 GLY 38.A O no hydrogen 3.232 N/A GLN 36.A NE2 ASN 39.A OD1 no hydrogen 3.007 N/A ILE 37.A N ILE 46.A O no hydrogen 2.911 N/A ASN 39.A ND2 GLY 43.A O no hydrogen 3.016 N/A THR 40.A N ARG 44.A O no hydrogen 2.828 N/A THR 40.A OG1 ASP 113.A OD1 no hydrogen 3.202 N/A THR 40.A OG1 ASP 113.A OD2 no hydrogen 2.626 N/A TYR 41.A N GLU 174.A OE2 no hydrogen 3.246 N/A GLU 42.A N ASP 113.A OD1 no hydrogen 2.930 N/A GLY 43.A N THR 40.A O no hydrogen 2.898 N/A ARG 44.A N THR 40.A OG1 no hydrogen 2.847 N/A ARG 44.A NH1 GLU 42.A OE2 no hydrogen 2.823 N/A ARG 44.A NH1 ASP 113.A OD2 no hydrogen 2.902 N/A ILE 46.A N GLY 38.A O no hydrogen 2.938 N/A VAL 48.A N ILE 35.A O no hydrogen 2.814 N/A LEU 49.A N LEU 106.A O no hydrogen 2.839 N/A LYS 50.A N SER 33.A O no hydrogen 2.892 N/A PHE 51.A N ILE 104.A O no hydrogen 2.771 N/A SER 52.A N LEU 31.A O no hydrogen 3.019 N/A SER 52.A OG ASP 103.A OD1 no hydrogen 2.617 N/A THR 53.A OG1 LEU 99.A O no hydrogen 2.771 N/A GLY 54.A N SER 52.A OG no hydrogen 3.155 N/A ARG 58.A NH1 THR 53.A OG1 no hydrogen 2.774 N/A ALA 60.A N ASN 187.A O no hydrogen 3.141 N/A ILE 61.A N ASP 103.A O no hydrogen 2.835 N/A TRP 62.A N ALA 190.A O no hydrogen 2.866 N/A TRP 62.A NE1 ASP 64.A OD2 no hydrogen 2.878 N/A ILE 63.A N PHE 105.A O no hydrogen 2.816 N/A ASP 64.A N ILE 192.A O no hydrogen 2.929 N/A THR 65.A N GLU 107.A O no hydrogen 2.865 N/A THR 65.A OG1 GLU 107.A O no hydrogen 3.492 N/A THR 65.A OG1 ILE 108.A O no hydrogen 2.686 N/A GLY 66.A N THR 74.A OG1 no hydrogen 2.993 N/A HIS 68.A ND1 GLU 71.A OE1 no hydrogen 3.122 N/A HIS 68.A NE2 ASP 141.A OD1 no hydrogen 2.706 N/A SER 69.A N ARG 126.A O no hydrogen 3.388 N/A SER 69.A OG TRP 125.A O no hydrogen 2.848 N/A ARG 70.A NH2 MET 124.A O no hydrogen 3.106 N/A GLU 71.A N HIS 68.A O no hydrogen 3.180 N/A TRP 72.A NE1 THR 118.A OG1 no hydrogen 2.900 N/A THR 74.A N GLU 71.A O no hydrogen 2.846 N/A THR 74.A OG1 GLU 71.A O no hydrogen 2.771 N/A THR 74.A OG1 GLN 75.A OE1 no hydrogen 3.394 N/A GLN 75.A N GLN 75.A OE1 no hydrogen 2.829 N/A GLN 75.A NE2 SER 69.A O no hydrogen 3.271 N/A ALA 76.A N TRP 72.A O no hydrogen 3.139 N/A SER 77.A N VAL 73.A O no hydrogen 2.830 N/A SER 77.A OG VAL 73.A O no hydrogen 2.808 N/A GLY 78.A N THR 74.A O no hydrogen 2.866 N/A VAL 79.A N GLN 75.A O no hydrogen 3.056 N/A TRP 80.A N ALA 76.A O no hydrogen 3.290 N/A PHE 81.A N SER 77.A O no hydrogen 2.780 N/A ALA 82.A N GLY 78.A O no hydrogen 3.047 N/A LYS 83.A N VAL 79.A O no hydrogen 3.149 N/A LYS 83.A NZ THR 3.A OG1 no hydrogen 2.885 N/A LYS 83.A NZ ASP 4.A OD2 no hydrogen 2.864 N/A LYS 84.A N TRP 80.A O no hydrogen 2.857 N/A LYS 84.A NZ ASP 88.A OD1 no hydrogen 3.013 N/A LYS 84.A NZ ASP 88.A OD2 no hydrogen 3.486 N/A ILE 85.A N PHE 81.A O no hydrogen 2.958 N/A THR 86.A N ALA 82.A O no hydrogen 3.463 N/A THR 86.A OG1 LYS 83.A O no hydrogen 2.745 N/A GLN 87.A N LYS 83.A O no hydrogen 2.940 N/A ASP 88.A N LYS 84.A O no hydrogen 2.951 N/A TYR 89.A N ILE 85.A O no hydrogen 3.004 N/A TYR 89.A OH ASP 100.A OD1 no hydrogen 2.604 N/A GLY 90.A N THR 96.A OG1 no hydrogen 2.797 N/A GLN 91.A N ASP 88.A O no hydrogen 2.938 N/A ASP 92.A N ASP 88.A O no hydrogen 2.930 N/A PHE 95.A N ASP 92.A OD1 no hydrogen 2.916 N/A THR 96.A N ASP 92.A O no hydrogen 2.867 N/A THR 96.A OG1 ASP 92.A O no hydrogen 2.753 N/A ALA 97.A N ALA 93.A O no hydrogen 2.869 N/A ILE 98.A N ALA 94.A O no hydrogen 3.123 N/A LEU 99.A N PHE 95.A O no hydrogen 3.003 N/A ASP 100.A N THR 96.A O no hydrogen 2.948 N/A THR 101.A N ILE 98.A O no hydrogen 3.161 N/A LEU 102.A N ILE 98.A O no hydrogen 2.897 N/A ASP 103.A N PRO 59.A O no hydrogen 3.085 N/A ILE 104.A N PHE 51.A O no hydrogen 2.972 N/A PHE 105.A N ILE 61.A O no hydrogen 2.775 N/A LEU 106.A N LEU 49.A O no hydrogen 2.845 N/A GLU 107.A N ILE 63.A O no hydrogen 2.889 N/A THR 110.A N THR 65.A O no hydrogen 3.132 N/A THR 110.A OG1 THR 65.A O no hydrogen 2.782 N/A THR 110.A OG1 GLU 107.A O no hydrogen 3.292 N/A ASN 111.A ND2 ILE 67.A O no hydrogen 3.220 N/A ASN 111.A ND2 LYS 127.A O no hydrogen 2.917 N/A GLY 114.A N ASN 111.A OD1 no hydrogen 3.038 N/A PHE 115.A N ASN 111.A O no hydrogen 3.004 N/A ALA 116.A N PRO 112.A O no hydrogen 2.927 N/A PHE 117.A N ASP 113.A O no hydrogen 3.031 N/A THR 118.A N GLY 114.A O no hydrogen 2.855 N/A THR 118.A OG1 PHE 115.A O no hydrogen 2.685 N/A HIS 119.A N PHE 115.A O no hydrogen 3.369 N/A SER 120.A N ALA 116.A O no hydrogen 2.905 N/A SER 120.A OG ALA 116.A O no hydrogen 3.302 N/A SER 120.A OG THR 121.A OG1 no hydrogen 2.833 N/A THR 121.A N PHE 117.A O no hydrogen 2.949 N/A THR 121.A OG1 SER 120.A OG no hydrogen 2.833 N/A ASN 122.A N PHE 117.A O no hydrogen 2.871 N/A ARG 123.A NH1 ARG 70.A O no hydrogen 2.966 N/A ARG 123.A NH1 ARG 123.A O no hydrogen 2.950 N/A ARG 123.A NH2 PHE 278.A O no hydrogen 3.071 N/A MET 124.A N ASN 122.A OD1 no hydrogen 3.004 N/A TRP 125.A N ASN 122.A O no hydrogen 3.032 N/A TRP 125.A NE1 THR 128.A O no hydrogen 3.090 N/A ARG 126.A NE ASP 141.A OD2 no hydrogen 3.339 N/A ARG 126.A NE GLU 162.A O no hydrogen 2.878 N/A ARG 126.A NH1 ASP 141.A OD2 no hydrogen 2.830 N/A LYS 127.A NZ ILE 138.A O no hydrogen 3.453 N/A LYS 127.A NZ GLY 139.A O no hydrogen 3.007 N/A LYS 127.A NZ SER 161.A O no hydrogen 2.856 N/A THR 128.A N VAL 140.A O no hydrogen 2.943 N/A THR 128.A OG1 SER 130.A OG no hydrogen 3.375 N/A THR 128.A OG1 VAL 140.A O no hydrogen 3.400 N/A THR 128.A OG1 GLU 172.A OE1 no hydrogen 2.696 N/A SER 130.A OG THR 128.A OG1 no hydrogen 3.375 N/A SER 130.A OG GLU 172.A OE1 no hydrogen 2.660 N/A SER 130.A OG GLU 172.A OE2 no hydrogen 3.546 N/A HIS 131.A N TYR 41.A OH no hydrogen 3.340 N/A SER 135.A N THR 132.A O no hydrogen 3.242 N/A CYS 137.A N SER 135.A OG no hydrogen 2.950 N/A GLY 139.A N SER 130.A O no hydrogen 2.704 N/A VAL 140.A N THR 128.A OG1 no hydrogen 3.052 N/A ASP 141.A N TYR 164.A O no hydrogen 2.835 N/A ASN 143.A N ASP 141.A OD1 no hydrogen 2.900 N/A ARG 144.A N ASP 141.A O no hydrogen 2.992 N/A ARG 144.A NE GLY 154.A O no hydrogen 2.950 N/A ARG 144.A NH1 ASN 143.A O no hydrogen 2.976 N/A ASN 145.A ND2 HIS 165.A O no hydrogen 2.908 N/A ASN 145.A ND2 PHE 168.A O no hydrogen 3.300 N/A ASN 145.A ND2 SER 171.A OG no hydrogen 3.067 N/A TRP 146.A N GLY 251.A O no hydrogen 2.838 N/A LEU 152.A N GLY 149.A O no hydrogen 3.092 N/A SER 153.A OG.B GLN 248.A OE1 no hydrogen 2.826 N/A SER 156.A N THR 163.A O no hydrogen 2.969 N/A ASN 158.A N SER 156.A OG no hydrogen 2.997 N/A CYS 160.A N ASN 158.A OD1 no hydrogen 2.965 N/A SER 161.A N ASN 158.A O no hydrogen 2.842 N/A SER 161.A OG THR 163.A OG1 no hydrogen 3.244 N/A THR 163.A N SER 161.A OG no hydrogen 3.025 N/A THR 163.A OG1 SER 161.A OG no hydrogen 3.244 N/A TYR 164.A N SER 161.A O no hydrogen 3.343 N/A HIS 165.A N SER 156.A O no hydrogen 3.170 N/A HIS 165.A ND1 GLY 166.A O no hydrogen 2.726 N/A LYS 167.A NZ ALA 133.A O no hydrogen 3.243 N/A ASN 170.A N ASN 145.A O no hydrogen 2.818 N/A SER 171.A N PHE 168.A O no hydrogen 3.027 N/A SER 171.A OG PHE 168.A O no hydrogen 3.268 N/A SER 171.A OG GLU 172.A OE2 no hydrogen 2.828 N/A GLU 172.A N ASN 145.A OD1 no hydrogen 3.030 N/A GLU 174.A N GLU 174.A OE1 no hydrogen 2.779 N/A VAL 175.A N GLU 172.A O no hydrogen 2.948 N/A LYS 176.A N GLU 172.A O no hydrogen 2.915 N/A LYS 176.A NZ ASP 180.A OD1 no hydrogen 2.578 N/A LYS 176.A NZ ASP 180.A OD2 no hydrogen 3.248 N/A SER 177.A N VAL 173.A O no hydrogen 2.809 N/A SER 177.A OG ILE 37.A O no hydrogen 3.560 N/A SER 177.A OG VAL 173.A O no hydrogen 2.662 N/A VAL 179.A N VAL 175.A O no hydrogen 3.027 N/A ASP 180.A N LYS 176.A O no hydrogen 2.896 N/A PHE 181.A N SER 177.A O no hydrogen 3.160 N/A VAL 182.A N ILE 178.A O no hydrogen 2.774 N/A LYS 183.A N VAL 179.A O no hydrogen 2.975 N/A ASP 184.A N ASP 180.A O no hydrogen 2.941 N/A HIS 185.A N PHE 181.A O no hydrogen 2.961 N/A GLY 186.A N VAL 182.A O no hydrogen 3.036 N/A ASN 187.A N HIS 185.A ND1 no hydrogen 2.986 N/A ASN 187.A ND2 LYS 57.A O no hydrogen 3.004 N/A LYS 189.A N ALA 60.A O no hydrogen 2.754 N/A LYS 189.A NZ ASN 187.A OD1 no hydrogen 3.132 N/A ALA 190.A N ALA 60.A O no hydrogen 3.393 N/A PHE 191.A N TYR 264.A O no hydrogen 2.891 N/A ILE 192.A N TRP 62.A O no hydrogen 2.759 N/A SER 193.A N PHE 266.A O no hydrogen 2.902 N/A SER 193.A OG ASP 64.A OD1 no hydrogen 2.706 N/A SER 193.A OG ASP 64.A OD2 no hydrogen 3.499 N/A ILE 194.A N ASP 64.A O no hydrogen 2.781 N/A HIS 195.A N PHE 268.A O no hydrogen 2.771 N/A SER 196.A N GLU 71.A OE2 no hydrogen 3.051 N/A SER 198.A N LEU 270.A O no hydrogen 3.005 N/A SER 198.A OG TYR 197.A O no hydrogen 2.691 N/A GLN 199.A N LEU 270.A O no hydrogen 3.229 N/A GLN 199.A NE2 LYS 236.A O no hydrogen 2.966 N/A LEU 200.A N GLU 269.A O no hydrogen 2.930 N/A LEU 201.A N ASN 238.A O no hydrogen 2.955 N/A MET 202.A N THR 267.A O no hydrogen 2.850 N/A TYR 203.A N GLY 240.A O no hydrogen 3.096 N/A TYR 203.A OH ASP 219.A OD2 no hydrogen 2.530 N/A GLY 206.A N ASP 255.A OD1 no hydrogen 3.210 N/A GLY 206.A N ASP 255.A OD2 no hydrogen 2.799 N/A TYR 207.A N ASP 255.A OD2 no hydrogen 3.286 N/A LYS 208.A NZ TYR 207.A OH no hydrogen 3.391 N/A LYS 208.A NZ GLU 210.A OE2 no hydrogen 2.806 N/A GLN 215.A N VAL 212.A O no hydrogen 2.890 N/A GLN 215.A NE2 ASP 216.A OD1.B no hydrogen 2.969 N/A LEU 218.A N ASP 214.A O no hydrogen 2.911 N/A ASP 219.A N GLN 215.A O no hydrogen 2.815 N/A GLN 220.A N ASP 216.A O no hydrogen 2.891 N/A LEU 221.A N GLU 217.A O no hydrogen 2.882 N/A SER 222.A N LEU 218.A O no hydrogen 2.889 N/A SER 222.A OG LEU 218.A O no hydrogen 2.685 N/A LYS 223.A N ASP 219.A O no hydrogen 3.042 N/A ALA 224.A N GLN 220.A O no hydrogen 3.105 N/A ALA 225.A N LEU 221.A O no hydrogen 2.835 N/A VAL 226.A N SER 222.A O no hydrogen 2.941 N/A THR 227.A N LYS 223.A O no hydrogen 3.043 N/A THR 227.A OG1 LYS 223.A O no hydrogen 2.783 N/A ALA 228.A N ALA 224.A O no hydrogen 2.989 N/A LEU 229.A N ALA 225.A O no hydrogen 2.977 N/A ALA 230.A N VAL 226.A O no hydrogen 2.946 N/A SER 231.A N ALA 228.A O no hydrogen 3.111 N/A SER 231.A OG ALA 228.A O no hydrogen 2.719 N/A GLY 234.A N ALA 230.A O no hydrogen 2.808 N/A THR 235.A OG1 GLU 291.A OE1 no hydrogen 3.503 N/A THR 235.A OG1 GLU 291.A OE2 no hydrogen 2.616 N/A ASN 238.A N GLN 199.A O no hydrogen 3.106 N/A GLY 240.A N LEU 201.A O no hydrogen 3.285 N/A ILE 242.A N TYR 203.A O no hydrogen 3.020 N/A ILE 243.A N TYR 205.A O no hydrogen 3.028 N/A LYS 244.A N SER 241.A OG no hydrogen 3.189 N/A ALA 245.A N SER 241.A O no hydrogen 2.872 N/A ILE 246.A N ILE 242.A O no hydrogen 2.922 N/A GLN 248.A NE2 TYR 207.A O no hydrogen 3.061 N/A ALA 249.A N GLY 206.A O no hydrogen 2.930 N/A SER 250.A N GLY 154.A O no hydrogen 3.022 N/A SER 250.A OG LEU 152.A O no hydrogen 2.727 N/A GLY 251.A N ALA 148.A O no hydrogen 2.957 N/A THR 253.A N ASN 143.A OD1 no hydrogen 2.860 N/A THR 253.A OG1 ASN 143.A OD1 no hydrogen 2.974 N/A TRP 256.A N SER 252.A O no hydrogen 3.355 N/A THR 257.A N THR 253.A O no hydrogen 2.886 N/A THR 257.A OG1 ILE 254.A O no hydrogen 3.284 N/A THR 257.A OG1 SER 265.A OG no hydrogen 2.789 N/A TYR 258.A N ILE 254.A O no hydrogen 2.979 N/A TYR 258.A OH ASP 214.A OD1 no hydrogen 2.662 N/A SER 259.A N ASP 255.A O no hydrogen 3.158 N/A SER 259.A OG TRP 256.A O no hydrogen 2.609 N/A GLN 260.A N TRP 256.A O no hydrogen 3.192 N/A GLN 260.A N THR 257.A O no hydrogen 2.993 N/A GLY 261.A N TYR 258.A O no hydrogen 2.946 N/A ILE 262.A N THR 257.A O no hydrogen 3.207 N/A TYR 264.A OH GLU 217.A OE2 no hydrogen 2.586 N/A SER 265.A OG THR 257.A OG1 no hydrogen 2.789 N/A SER 265.A OG ILE 262.A O no hydrogen 2.742 N/A PHE 266.A N PHE 191.A O no hydrogen 2.913 N/A THR 267.A N MET 202.A O no hydrogen 2.851 N/A THR 267.A OG1.B SER 193.A O no hydrogen 2.822 N/A PHE 268.A N SER 193.A O no hydrogen 3.149 N/A GLU 269.A N LEU 200.A O no hydrogen 2.810 N/A LEU 270.A N HIS 195.A O no hydrogen 2.843 N/A ARG 271.A NE GLU 291.A OE1 no hydrogen 2.797 N/A ARG 271.A NH1 GLN 284.A OE1 no hydrogen 3.029 N/A ARG 271.A NH2 GLU 291.A OE2 no hydrogen 2.968 N/A GLY 274.A N ASP 272.A OD1 no hydrogen 2.890 N/A TYR 276.A N ASP 272.A OD2 no hydrogen 2.859 N/A GLY 277.A N ASP 272.A OD1 no hydrogen 2.851 N/A LEU 279.A N TYR 276.A O no hydrogen 3.101 N/A GLN 284.A N PRO 281.A O no hydrogen 2.895 N/A ILE 285.A N ALA 282.A O no hydrogen 3.073 N/A THR 288.A N GLN 284.A O no hydrogen 2.903 N/A THR 288.A OG1 GLN 284.A O no hydrogen 2.740 N/A ALA 289.A N ILE 285.A O no hydrogen 2.818 N/A LYS 290.A N ILE 286.A O no hydrogen 2.782 N/A GLU 291.A N PRO 287.A O no hydrogen 3.059 N/A THR 292.A N THR 288.A O no hydrogen 3.022 N/A THR 292.A OG1 THR 288.A O no hydrogen 2.684 N/A TRP 293.A N ALA 289.A O no hydrogen 2.888 N/A LEU 294.A N LYS 290.A O no hydrogen 3.377 N/A ALA 295.A N GLU 291.A O no hydrogen 3.420 N/A LEU 296.A N THR 292.A O no hydrogen 2.908 N/A LEU 297.A N TRP 293.A O no hydrogen 2.796 N/A THR 298.A N LEU 294.A O no hydrogen 3.157 N/A THR 298.A OG1 LEU 294.A O no hydrogen 3.060 N/A ILE 299.A N ALA 295.A O no hydrogen 3.066 N/A MET 300.A N LEU 296.A O no hydrogen 2.838 N/A GLU 301.A N LEU 297.A O no hydrogen 2.842 N/A HIS 302.A N THR 298.A O no hydrogen 2.990 N/A HIS 302.A NE2 GLU 217.A OE2 no hydrogen 2.702 N/A THR 303.A N ILE 299.A O no hydrogen 2.891 N/A THR 303.A OG1 ILE 299.A O no hydrogen 2.929 N/A LEU 304.A N MET 300.A O no hydrogen 2.815 N/A ASN 305.A N GLU 301.A O no hydrogen 2.949 N/A HIS 306.A N THR 303.A O no hydrogen 3.294 N/A HIS 306.A ND1 HIS 302.A O no hydrogen 2.759 N/A