Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ijp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG LYS 25.A O no hydrogen 3.004 N/A MET 2.A N ASP 26.A O no hydrogen 3.135 N/A ARG 3.A N GLU 70.A OE1 no hydrogen 2.755 N/A ARG 3.A NE.A ASN 68.A O no hydrogen 3.296 N/A ARG 3.A NE.B ASN 68.A O no hydrogen 3.254 N/A ARG 3.A NH1.B ASN 68.A O no hydrogen 3.228 N/A LEU 4.A N GLU 28.A O no hydrogen 2.889 N/A THR 5.A N GLY 71.A O no hydrogen 2.857 N/A THR 5.A OG1 ALA 65.A O no hydrogen 2.979 N/A THR 5.A OG1 THR 69.A OG1 no hydrogen 2.859 N/A VAL 6.A N ALA 31.A O no hydrogen 3.104 N/A VAL 7.A N LEU 73.A O no hydrogen 3.210 N/A ALA 9.A N LEU 33.A O no hydrogen 3.120 N/A GLY 11.A N GLY 8.A O no hydrogen 2.934 N/A ARG 15.A N GLY 11.A O no hydrogen 3.063 N/A ARG 15.A NE ASN 10.A O no hydrogen 2.876 N/A ARG 15.A NH1 LEU 48.A O no hydrogen 2.767 N/A GLU 16.A N ARG 12.A O no hydrogen 3.183 N/A LEU 17.A N MET 13.A O no hydrogen 2.797 N/A ILE 18.A N GLY 14.A O no hydrogen 3.110 N/A THR 19.A N ARG 15.A O no hydrogen 2.997 N/A THR 19.A OG1 ARG 15.A O no hydrogen 3.068 N/A ALA 20.A N GLU 16.A O no hydrogen 2.919 N/A ILE 21.A N LEU 17.A O no hydrogen 2.926 N/A GLN 22.A N ILE 18.A O no hydrogen 3.075 N/A ARG 24.A N ILE 21.A O no hydrogen 3.279 N/A ARG 24.A NE ASP 26.A OD1 no hydrogen 2.950 N/A ARG 24.A NH2 ASP 26.A OD1 no hydrogen 3.399 N/A ARG 24.A NH2 ASP 26.A OD2 no hydrogen 2.787 N/A GLU 28.A N MET 2.A O no hydrogen 2.690 N/A CYS 30.A N LEU 4.A O no hydrogen 2.992 N/A CYS 30.A SG LEU 4.A O no hydrogen 3.749 N/A CYS 30.A SG ASN 68.A O no hydrogen 3.356 N/A CYS 30.A SG THR 69.A OG1 no hydrogen 3.282 N/A LEU 33.A N VAL 6.A O no hydrogen 2.964 N/A VAL 34.A N THR 59.A O no hydrogen 3.090 N/A SER 38.A N ARG 35.A O no hydrogen 3.131 N/A PHE 40.A N SER 38.A OG no hydrogen 2.985 N/A VAL 41.A N SER 38.A O no hydrogen 3.153 N/A ASP 42.A N ILE 58.A O no hydrogen 2.849 N/A LYS 43.A N PHE 40.A O no hydrogen 3.066 N/A LYS 43.A NZ SER 39.A O no hydrogen 2.911 N/A ALA 45.A N VAL 56.A O no hydrogen 2.730 N/A SER 46.A N ASP 44.A OD2 no hydrogen 2.973 N/A SER 46.A OG ASP 44.A OD2 no hydrogen 2.609 N/A ILE 47.A N ASP 44.A O no hydrogen 3.040 N/A LEU 48.A N ALA 45.A O no hydrogen 2.857 N/A ILE 49.A N SER 46.A O no hydrogen 3.185 N/A SER 51.A N SER 46.A O no hydrogen 3.370 N/A SER 51.A OG ASP 52.A O no hydrogen 2.999 N/A LEU 54.A N ASP 44.A OD2 no hydrogen 2.939 N/A VAL 56.A N ASP 44.A OD1 no hydrogen 3.007 N/A ARG 57.A NH1 ASP 42.A O no hydrogen 2.940 N/A ILE 58.A N LYS 43.A O no hydrogen 2.754 N/A THR 59.A N VAL 32.A O no hydrogen 2.962 N/A ASP 61.A N THR 59.A OG1 no hydrogen 2.974 N/A GLU 63.A N ASP 61.A OD1 no hydrogen 3.054 N/A ALA 65.A N ASP 61.A O no hydrogen 2.902 N/A PHE 66.A N PRO 62.A O no hydrogen 2.799 N/A SER 67.A N SER 64.A O no hydrogen 3.068 N/A SER 67.A OG SER 64.A O no hydrogen 3.000 N/A THR 69.A OG1 ARG 3.A O no hydrogen 3.246 N/A THR 69.A OG1 THR 5.A OG1 no hydrogen 2.859 N/A THR 69.A OG1 GLY 71.A O no hydrogen 3.391 N/A GLU 70.A N ARG 3.A O no hydrogen 2.806 N/A ILE 72.A N ILE 94.A O no hydrogen 2.804 N/A LEU 73.A N THR 5.A O no hydrogen 2.841 N/A ASP 74.A N ILE 96.A O no hydrogen 2.918 N/A SER 76.A N THR 99.A OG1 no hydrogen 2.937 N/A SER 76.A OG ASP 74.A OD1 no hydrogen 2.544 N/A SER 76.A OG SER 81.A OG no hydrogen 3.216 N/A GLN 77.A NE2 GLN 79.A OE1 no hydrogen 2.750 N/A GLN 79.A N GLN 77.A OE1 no hydrogen 2.807 N/A GLN 79.A NE2 GLU 106.A OE2 no hydrogen 2.880 N/A ALA 80.A N GLN 77.A OE1 no hydrogen 3.314 N/A SER 81.A N GLN 77.A O no hydrogen 2.915 N/A SER 81.A OG ASP 74.A OD1 no hydrogen 2.987 N/A SER 81.A OG ASP 74.A OD2 no hydrogen 2.625 N/A SER 81.A OG SER 76.A OG no hydrogen 3.216 N/A SER 81.A OG THR 99.A OG1 no hydrogen 2.673 N/A VAL 82.A N PRO 78.A O no hydrogen 3.152 N/A LEU 83.A N GLN 79.A O no hydrogen 3.178 N/A TYR 84.A N ALA 80.A O no hydrogen 2.873 N/A ALA 85.A N SER 81.A O no hydrogen 2.879 N/A ASN 86.A N VAL 82.A O no hydrogen 3.012 N/A ASN 86.A ND2 GLN 90.A OE1 no hydrogen 3.050 N/A TYR 87.A N LEU 83.A O no hydrogen 3.192 N/A ALA 88.A N TYR 84.A O no hydrogen 2.812 N/A ALA 89.A N ALA 85.A O no hydrogen 2.760 N/A GLN 90.A N ASN 86.A O no hydrogen 2.824 N/A LYS 91.A N TYR 87.A O no hydrogen 2.855 N/A LYS 91.A NZ GLU 63.A OE1 no hydrogen 2.714 N/A LYS 91.A NZ GLU 63.A OE2 no hydrogen 3.175 N/A SER 92.A N ALA 89.A O no hydrogen 3.340 N/A LEU 93.A N ALA 88.A O no hydrogen 3.039 N/A HIS 95.A N THR 118.A O no hydrogen 3.100 N/A HIS 95.A NE2 ASP 74.A OD2 no hydrogen 2.854 N/A ILE 96.A N ILE 72.A O no hydrogen 2.785 N/A ILE 97.A N VAL 120.A O no hydrogen 2.917 N/A GLY 98.A N ASP 74.A O no hydrogen 2.820 N/A THR 99.A OG1 ASP 74.A O no hydrogen 3.379 N/A THR 99.A OG1 ASP 74.A OD1 no hydrogen 3.345 N/A THR 99.A OG1 SER 81.A OG no hydrogen 2.673 N/A THR 100.A OG1 ASP 161.A OD1 no hydrogen 2.430 N/A SER 103.A N GLU 106.A OE1 no hydrogen 2.990 N/A GLU 106.A N SER 103.A OG no hydrogen 3.134 N/A GLU 107.A N SER 103.A O no hydrogen 3.023 N/A ALA 108.A N LYS 104.A O no hydrogen 2.864 N/A GLN 109.A N THR 105.A O no hydrogen 2.918 N/A ILE 110.A N GLU 106.A O no hydrogen 2.955 N/A ALA 111.A N GLU 107.A O no hydrogen 3.030 N/A ASP 112.A N ALA 108.A O no hydrogen 3.055 N/A PHE 113.A N GLN 109.A O no hydrogen 2.919 N/A ALA 114.A N ILE 110.A O no hydrogen 3.032 N/A ALA 114.A N ALA 111.A O no hydrogen 3.053 N/A LYS 115.A N ASP 112.A O no hydrogen 2.954 N/A TYR 116.A N PHE 113.A O no hydrogen 3.056 N/A THR 117.A OG1 LEU 93.A O no hydrogen 2.592 N/A THR 118.A N THR 117.A OG1 no hydrogen 2.772 N/A THR 118.A OG1 HIS 253.A O no hydrogen 3.278 N/A THR 118.A OG1 GLU 254.A O no hydrogen 2.900 N/A ILE 119.A N GLY 256.A O no hydrogen 2.911 N/A VAL 120.A N HIS 95.A O no hydrogen 3.020 N/A LYS 121.A N TYR 258.A O no hydrogen 2.814 N/A LYS 121.A NZ GLU 107.A OE2 no hydrogen 2.795 N/A SER 122.A N ILE 97.A O no hydrogen 3.101 N/A SER 122.A OG ASN 124.A O no hydrogen 2.997 N/A ASN 124.A N SER 122.A OG no hydrogen 3.206 N/A ASN 124.A ND2 THR 166.A OG1 no hydrogen 2.683 N/A SER 126.A N ASN 124.A OD1 no hydrogen 2.925 N/A SER 126.A OG ASN 124.A OD1 no hydrogen 2.678 N/A VAL 129.A N SER 126.A OG no hydrogen 3.207 N/A ASN 130.A N SER 126.A O no hydrogen 3.447 N/A ASN 130.A ND2 ASN 124.A O no hydrogen 2.939 N/A ASN 130.A ND2 SER 126.A O no hydrogen 2.844 N/A LEU 131.A N LEU 127.A O no hydrogen 3.055 N/A LEU 132.A N GLY 128.A O no hydrogen 2.852 N/A ALA 133.A N VAL 129.A O no hydrogen 2.867 N/A ASN 134.A N ASN 130.A O no hydrogen 3.452 N/A LEU 135.A N LEU 131.A O no hydrogen 3.065 N/A VAL 136.A N LEU 132.A O no hydrogen 2.843 N/A LYS 137.A N ALA 133.A O no hydrogen 3.032 N/A ARG 138.A N ASN 134.A O no hydrogen 3.148 N/A ALA 139.A N LEU 135.A O no hydrogen 2.861 N/A ALA 140.A N VAL 136.A O no hydrogen 2.802 N/A LYS 141.A N LYS 137.A O no hydrogen 3.058 N/A ALA 142.A N ARG 138.A O no hydrogen 2.953 N/A LEU 143.A N ALA 139.A O no hydrogen 2.937 N/A ASP 146.A N ASP 144.A OD1 no hydrogen 2.967 N/A PHE 147.A N ASP 144.A O no hydrogen 2.841 N/A ASP 148.A N ALA 221.A O no hydrogen 2.758 N/A GLU 150.A N THR 219.A O no hydrogen 2.920 N/A ILE 151.A N GLY 203.A O no hydrogen 2.811 N/A TYR 152.A N SER 217.A O no hydrogen 2.832 N/A TYR 152.A OH SER 207.A OG no hydrogen 3.191 N/A GLU 153.A N ALA 205.A O no hydrogen 3.051 N/A MET 154.A N ASP 215.A O no hydrogen 3.033 N/A HIS 155.A N SER 207.A O no hydrogen 3.154 N/A HIS 155.A ND1 GLU 153.A OE2 no hydrogen 2.804 N/A HIS 156.A N VAL 212.A O no hydrogen 2.835 N/A ALA 157.A N GLY 210.A O no hydrogen 2.905 N/A LYS 159.A N HIS 156.A O no hydrogen 3.208 N/A LYS 159.A NZ ASP 161.A OD2 no hydrogen 3.215 N/A ASP 161.A N ASP 161.A OD2 no hydrogen 2.616 N/A SER 164.A N GLU 153.A OE1 no hydrogen 2.902 N/A SER 164.A OG HIS 216.A NE2 no hydrogen 2.749 N/A THR 166.A OG1 GLY 123.A O no hydrogen 3.386 N/A ALA 167.A N SER 164.A OG no hydrogen 2.884 N/A LEU 168.A N SER 164.A O no hydrogen 3.028 N/A LEU 169.A N GLY 165.A O no hydrogen 2.868 N/A LEU 170.A N THR 166.A O no hydrogen 2.830 N/A GLY 171.A N ALA 167.A O no hydrogen 2.776 N/A GLN 172.A N LEU 168.A O no hydrogen 2.925 N/A ALA 173.A N LEU 169.A O no hydrogen 3.152 N/A ALA 174.A N LEU 170.A O no hydrogen 3.059 N/A ALA 175.A N GLY 171.A O no hydrogen 2.904 N/A GLU 176.A N GLN 172.A O no hydrogen 3.017 N/A GLY 177.A N ALA 173.A O no hydrogen 3.103 N/A ARG 178.A N ALA 174.A O no hydrogen 3.061 N/A ARG 178.A NE ALA 140.A O no hydrogen 3.000 N/A ARG 178.A NE LEU 143.A O no hydrogen 3.023 N/A ARG 178.A NH1 LEU 143.A O no hydrogen 3.118 N/A ARG 178.A NH1 PHE 147.A O no hydrogen 2.840 N/A ARG 178.A NH2 PHE 147.A O no hydrogen 3.262 N/A ASN 179.A N GLU 176.A O no hydrogen 3.100 N/A ILE 180.A N ALA 175.A O no hydrogen 2.969 N/A ASN 184.A N MET 181.A O no hydrogen 2.909 N/A VAL 185.A N LEU 182.A O no hydrogen 2.987 N/A SER 186.A N LEU 182.A O no hydrogen 2.936 N/A SER 186.A OG LEU 182.A O no hydrogen 3.132 N/A VAL 187.A N ILE 202.A O no hydrogen 2.917 N/A GLY 189.A N PHE 204.A O no hydrogen 3.089 N/A ARG 190.A NE GLU 150.A OE1 no hydrogen 3.337 N/A ARG 190.A NE GLU 150.A OE2 no hydrogen 3.091 N/A ARG 190.A NH2 THR 201.A OG1 no hydrogen 3.011 N/A GLY 192.A N GLY 189.A O no hydrogen 3.169 N/A ARG 197.A NE GLU 150.A OE1 no hydrogen 3.359 N/A ARG 197.A NH1 GLU 150.A OE1 no hydrogen 2.796 N/A ARG 197.A NH1 THR 201.A O no hydrogen 2.839 N/A ARG 197.A NH2 THR 201.A O no hydrogen 3.109 N/A LYS 199.A NZ ASP 145.A OD1 no hydrogen 3.077 N/A LYS 199.A NZ ASP 146.A OD1 no hydrogen 3.114 N/A THR 201.A N GLU 198.A O no hydrogen 3.190 N/A THR 201.A OG1 GLU 198.A O no hydrogen 2.628 N/A ILE 202.A N VAL 185.A O no hydrogen 2.984 N/A GLY 203.A N ILE 149.A O no hydrogen 3.206 N/A PHE 204.A N VAL 187.A O no hydrogen 2.903 N/A ALA 205.A N ILE 151.A O no hydrogen 2.855 N/A CYS 206.A SG GLU 153.A OE1 no hydrogen 3.254 N/A SER 207.A N GLU 153.A O no hydrogen 2.855 N/A SER 207.A OG TYR 152.A OH no hydrogen 3.191 N/A ARG 208.A NH1 GLU 153.A OE1 no hydrogen 3.506 N/A ARG 208.A NH1 GLU 153.A OE2 no hydrogen 2.673 N/A ARG 208.A NH1 SER 207.A O no hydrogen 2.829 N/A ARG 208.A NH2 GLU 153.A OE1 no hydrogen 2.997 N/A ARG 208.A NH2 GLU 153.A OE2 no hydrogen 3.559 N/A ARG 208.A NH2 ASP 161.A O no hydrogen 2.903 N/A GLY 209.A N HIS 155.A O no hydrogen 2.895 N/A ASP 215.A N MET 154.A O no hydrogen 3.044 N/A HIS 216.A N HIS 231.A O no hydrogen 2.972 N/A HIS 216.A NE2 SER 164.A OG no hydrogen 2.749 N/A SER 217.A N TYR 152.A O no hydrogen 2.875 N/A SER 217.A OG SER 230.A OG no hydrogen 2.701 N/A ILE 218.A N LEU 229.A O no hydrogen 2.805 N/A THR 219.A N GLU 150.A O no hydrogen 2.790 N/A PHE 220.A N ILE 227.A O no hydrogen 2.804 N/A ALA 221.A N ASP 148.A O no hydrogen 2.930 N/A GLY 222.A N GLU 225.A O no hydrogen 2.897 N/A ILE 227.A N PHE 220.A O no hydrogen 3.045 N/A LEU 229.A N ILE 218.A O no hydrogen 2.946 N/A SER 230.A OG SER 217.A OG no hydrogen 2.701 N/A HIS 231.A N HIS 216.A O no hydrogen 2.830 N/A ALA 233.A N GLY 214.A O no hydrogen 3.036 N/A ILE 238.A N GLU 235.A O no hydrogen 3.364 N/A PHE 239.A N ARG 236.A O no hydrogen 2.952 N/A ALA 240.A N ARG 236.A O no hydrogen 3.123 N/A ASN 241.A N SER 237.A O no hydrogen 2.956 N/A GLY 242.A N ILE 238.A O no hydrogen 3.094 N/A ALA 243.A N PHE 239.A O no hydrogen 2.963 N/A LEU 244.A N ALA 240.A O no hydrogen 3.084 N/A LYS 245.A N ASN 241.A O no hydrogen 3.022 N/A ALA 246.A N GLY 242.A O no hydrogen 2.871 N/A ALA 247.A N ALA 243.A O no hydrogen 2.915 N/A LEU 248.A N LEU 244.A O no hydrogen 2.997 N/A TRP 249.A N LYS 245.A O no hydrogen 3.135 N/A ALA 250.A N ALA 246.A O no hydrogen 2.927 N/A LYS 251.A NZ GLU 70.A OE2 no hydrogen 3.405 N/A HIS 253.A N ALA 250.A O no hydrogen 3.004 N/A ASN 255.A ND2 LYS 115.A O no hydrogen 3.260 N/A GLY 256.A N THR 117.A O no hydrogen 3.018 N/A TYR 258.A N ILE 119.A O no hydrogen 2.862 N/A TYR 258.A OH GLU 254.A O no hydrogen 3.396 N/A TYR 258.A OH ASN 255.A O no hydrogen 2.706 N/A SER 259.A N ASP 262.A OD2 no hydrogen 2.898 N/A SER 259.A OG ASP 262.A OD2 no hydrogen 3.285 N/A VAL 263.A N SER 259.A O no hydrogen 3.222 N/A LEU 264.A N MET 260.A O no hydrogen 2.800 N/A GLY 265.A N LEU 261.A O no hydrogen 2.871 N/A