Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5dji_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A ND1 ASP 8.A OD1 no hydrogen 2.410 N/A HIS 3.A ND1 ASP 8.A OD2 no hydrogen 3.162 N/A HIS 4.A ND1 HIS 5.A O no hydrogen 3.298 N/A SER 6.A OG HIS 5.A O no hydrogen 2.516 N/A THR 10.A N GLU 13.A OE1 no hydrogen 2.917 N/A GLU 13.A N THR 10.A OG1 no hydrogen 2.989 N/A LEU 14.A N THR 10.A O no hydrogen 2.874 N/A ALA 15.A N ASP 11.A O no hydrogen 2.860 N/A ALA 16.A N ALA 12.A O no hydrogen 3.025 N/A ASP 17.A N GLU 13.A O no hydrogen 2.914 N/A LEU 18.A N LEU 14.A O no hydrogen 2.823 N/A ALA 19.A N ALA 15.A O no hydrogen 2.990 N/A ALA 20.A N ALA 16.A O no hydrogen 3.006 N/A ASP 21.A N ASP 17.A O no hydrogen 2.912 N/A ALA 22.A N LEU 18.A O no hydrogen 2.949 N/A GLY 23.A N ALA 19.A O no hydrogen 2.919 N/A LYS 24.A N ALA 20.A O no hydrogen 2.899 N/A LEU 25.A N ASP 21.A O no hydrogen 3.030 N/A LEU 26.A N ALA 22.A O no hydrogen 2.883 N/A LEU 27.A N GLY 23.A O no hydrogen 2.974 N/A GLN 28.A N LYS 24.A O no hydrogen 2.977 N/A VAL 29.A N LEU 25.A O no hydrogen 2.858 N/A ARG 30.A N LEU 26.A O no hydrogen 2.923 N/A ARG 30.A NE PHE 95.A O no hydrogen 2.838 N/A ARG 30.A NH1 ARG 100.A O no hydrogen 3.389 N/A ARG 30.A NH2 GLU 94.A O no hydrogen 3.459 N/A ARG 30.A NH2 PHE 95.A O no hydrogen 3.293 N/A ARG 30.A NH2 ARG 100.A O no hydrogen 2.834 N/A ALA 31.A N LEU 27.A O no hydrogen 3.138 N/A GLU 32.A N GLN 28.A O no hydrogen 2.913 N/A ILE 33.A N VAL 29.A O no hydrogen 2.893 N/A GLY 34.A N ARG 30.A O no hydrogen 3.043 N/A THR 40.A OG1 GLN 37.A OE1 no hydrogen 2.627 N/A LEU 41.A N GLN 37.A O no hydrogen 3.061 N/A GLY 42.A N PRO 38.A O no hydrogen 2.970 N/A GLU 43.A N TRP 39.A O no hydrogen 2.972 N/A ALA 44.A N THR 40.A O no hydrogen 3.031 N/A GLY 45.A N LEU 41.A O no hydrogen 3.031 N/A ASP 46.A N GLY 42.A O no hydrogen 2.946 N/A ARG 47.A N GLU 43.A O no hydrogen 2.916 N/A GLN 48.A N ALA 44.A O no hydrogen 2.856 N/A ALA 49.A N GLY 45.A O no hydrogen 3.003 N/A ASN 50.A N ASP 46.A O no hydrogen 3.089 N/A SER 51.A N ARG 47.A O no hydrogen 2.976 N/A SER 51.A OG.A ARG 47.A O no hydrogen 3.189 N/A LEU 52.A N GLN 48.A O no hydrogen 3.051 N/A LEU 53.A N ALA 49.A O no hydrogen 3.009 N/A LEU 54.A N ASN 50.A O no hydrogen 2.896 N/A ARG 55.A N SER 51.A O no hydrogen 3.055 N/A ARG 56.A N LEU 52.A O no hydrogen 2.967 N/A ARG 56.A NE GLU 60.A OE1 no hydrogen 2.857 N/A ARG 56.A NH1 ASP 17.A OD2 no hydrogen 2.997 N/A ARG 56.A NH1 ASP 21.A OD2 no hydrogen 2.943 N/A ARG 56.A NH2 ASP 17.A OD2 no hydrogen 2.827 N/A ARG 56.A NH2 GLU 60.A OE1 no hydrogen 3.490 N/A ARG 56.A NH2 GLU 60.A OE2 no hydrogen 2.978 N/A LEU 57.A N LEU 53.A O no hydrogen 2.902 N/A GLN 58.A N LEU 54.A O no hydrogen 3.014 N/A ALA 59.A N ARG 55.A O no hydrogen 3.045 N/A GLU 60.A N ARG 56.A O no hydrogen 2.870 N/A ARG 61.A N LEU 57.A O no hydrogen 2.784 N/A ARG 61.A NE ASP 11.A OD1 no hydrogen 2.961 N/A ARG 61.A NH1 GLU 60.A O no hydrogen 3.015 N/A ARG 61.A NH2 LEU 9.A O no hydrogen 2.912 N/A ARG 61.A NH2 ASP 11.A OD1 no hydrogen 3.020 N/A ASP 64.A N ARG 61.A O no hydrogen 3.027 N/A ALA 65.A N ARG 82.A O no hydrogen 3.038 N/A LEU 67.A N TRP 84.A O no hydrogen 2.730 N/A SER 68.A OG ASN 50.A OD1 no hydrogen 2.743 N/A GLU 69.A N ILE 86.A O no hydrogen 3.366 N/A GLU 70.A N SER 68.A OG no hydrogen 3.084 N/A ALA 71.A N SER 68.A O no hydrogen 3.372 N/A LEU 75.A N ASP 73.A OD1 no hydrogen 3.278 N/A ALA 76.A N ASP 74.A OD1 no hydrogen 2.903 N/A ARG 77.A NE ASP 73.A OD1 no hydrogen 2.909 N/A ARG 77.A NE ASP 73.A OD2 no hydrogen 3.350 N/A ARG 77.A NH1 ASN 223.A OD1 no hydrogen 2.902 N/A ARG 77.A NH1 GLN 224.A O no hydrogen 2.833 N/A ARG 77.A NH2 ASP 73.A OD2 no hydrogen 2.864 N/A ARG 77.A NH2 GLN 224.A O no hydrogen 2.972 N/A ARG 77.A NH2 LEU 225.A O no hydrogen 3.241 N/A LEU 78.A N LEU 75.A O no hydrogen 3.128 N/A LYS 79.A N ALA 76.A O no hydrogen 3.005 N/A SER 80.A N ARG 77.A O no hydrogen 3.030 N/A SER 80.A OG ARG 82.A O no hydrogen 2.939 N/A ARG 82.A N SER 80.A OG no hydrogen 3.065 N/A ARG 82.A NE ASP 64.A OD1 no hydrogen 2.833 N/A ARG 82.A NE ASP 64.A OD2 no hydrogen 3.320 N/A ARG 82.A NH1 ASP 11.A OD2 no hydrogen 2.921 N/A ARG 82.A NH2 ASP 11.A OD1 no hydrogen 2.951 N/A ARG 82.A NH2 ASP 11.A OD2 no hydrogen 3.375 N/A ARG 82.A NH2 ASP 64.A OD2 no hydrogen 2.806 N/A VAL 83.A N TRP 110.A O no hydrogen 2.930 N/A TRP 84.A N ALA 65.A O no hydrogen 2.841 N/A TRP 84.A NE1 ASP 64.A OD2 no hydrogen 2.780 N/A ILE 85.A N ALA 108.A O no hydrogen 2.772 N/A ILE 86.A N LEU 67.A O no hydrogen 2.914 N/A ASP 87.A N HIS 106.A O no hydrogen 2.948 N/A ASP 90.A N ALA 104.A O no hydrogen 2.780 N/A THR 92.A OG1 ASP 46.A OD1 no hydrogen 2.684 N/A THR 92.A OG1 ASP 46.A OD2 no hydrogen 3.493 N/A THR 92.A OG1 LEU 89.A O no hydrogen 3.429 N/A GLU 94.A N GLU 94.A OE1 no hydrogen 2.802 N/A PHE 95.A N GLY 91.A O no hydrogen 2.898 N/A SER 96.A N THR 92.A O no hydrogen 3.008 N/A SER 96.A N ARG 93.A O no hydrogen 3.193 N/A SER 96.A OG.A PRO 38.A O no hydrogen 3.273 N/A SER 96.A OG.A THR 92.A O no hydrogen 2.721 N/A SER 96.A OG.B THR 92.A O no hydrogen 3.426 N/A SER 96.A OG.B ARG 93.A O no hydrogen 2.718 N/A THR 97.A N GLU 94.A O no hydrogen 3.025 N/A THR 97.A OG1 ARG 93.A O no hydrogen 2.800 N/A ARG 100.A N THR 97.A O no hydrogen 3.427 N/A ARG 100.A NH2 ASP 102.A OD2 no hydrogen 2.416 N/A ASP 102.A N ASP 102.A OD1 no hydrogen 2.564 N/A TRP 103.A NE1 ARG 100.A O no hydrogen 2.965 N/A ALA 104.A N ASP 90.A O no hydrogen 2.859 N/A VAL 105.A N ALA 122.A O no hydrogen 2.957 N/A HIS 106.A N ASP 87.A O no hydrogen 2.993 N/A HIS 106.A ND1 TRP 196.A O no hydrogen 2.982 N/A ILE 107.A N ALA 120.A O no hydrogen 3.020 N/A ALA 108.A N ILE 85.A O no hydrogen 3.129 N/A LEU 109.A N ASP 118.A O no hydrogen 2.796 N/A TRP 110.A N VAL 83.A O no hydrogen 2.796 N/A ARG 111.A N GLU 115.A O no hydrogen 2.910 N/A ARG 112.A N ASP 81.A O no hydrogen 2.961 N/A ARG 112.A NE ASP 81.A OD1 no hydrogen 2.855 N/A ARG 112.A NH2 LEU 78.A O no hydrogen 3.054 N/A ARG 112.A NH2 SER 80.A O no hydrogen 2.734 N/A SER 113.A OG GLU 115.A OE2 no hydrogen 2.580 N/A THR 117.A N LEU 109.A O no hydrogen 3.022 N/A THR 117.A OG1 LEU 109.A O no hydrogen 3.545 N/A THR 117.A OG1 ASP 118.A OD2 no hydrogen 2.830 N/A ALA 119.A N THR 133.A OG1 no hydrogen 3.071 N/A ALA 120.A N ILE 107.A O no hydrogen 2.858 N/A VAL 121.A N TYR 131.A O no hydrogen 2.839 N/A ALA 122.A N VAL 105.A O no hydrogen 3.001 N/A LEU 123.A N VAL 129.A O no hydrogen 2.980 N/A ARG 126.A N LEU 123.A O no hydrogen 2.944 N/A ASN 128.A N PRO 124.A O no hydrogen 2.952 N/A ASN 128.A ND2 ALA 20.A O no hydrogen 3.091 N/A VAL 129.A N ARG 126.A O no hydrogen 3.201 N/A TYR 131.A N VAL 121.A O no hydrogen 2.851 N/A TYR 131.A OH ASP 181.A OD1 no hydrogen 2.622 N/A ARG 132.A NE ASP 134.A OD1 no hydrogen 2.828 N/A ARG 132.A NH2 ASP 134.A OD2 no hydrogen 2.948 N/A THR 133.A N ALA 119.A O no hydrogen 3.017 N/A THR 133.A OG1 ALA 119.A O no hydrogen 3.378 N/A THR 135.A N ARG 132.A O no hydrogen 3.120 N/A VAL 136.A N ARG 132.A O no hydrogen 2.977 N/A THR 141.A OG1 ALA 163.A O no hydrogen 3.536 N/A LEU 142.A N ALA 163.A O no hydrogen 2.956 N/A ARG 143.A N ASP 185.A OD2 no hydrogen 2.781 N/A ARG 143.A NE TYR 183.A O no hydrogen 2.797 N/A ARG 143.A NH2 TYR 183.A O no hydrogen 3.111 N/A ILE 144.A N GLN 165.A O no hydrogen 3.091 N/A ALA 145.A N ALA 186.A O no hydrogen 2.750 N/A VAL 146.A N VAL 167.A O no hydrogen 2.994 N/A ALA 148.A N ILE 169.A O no hydrogen 3.200 N/A THR 149.A N SER 147.A OG no hydrogen 2.934 N/A ARG 150.A N SER 147.A OG no hydrogen 2.775 N/A LEU 155.A N PRO 152.A O no hydrogen 3.325 N/A HIS 156.A N ALA 153.A O no hydrogen 3.043 N/A ILE 158.A N VAL 154.A O no hydrogen 3.391 N/A ARG 159.A N LEU 155.A O no hydrogen 2.959 N/A GLN 160.A N ARG 157.A O no hydrogen 3.170 N/A THR 161.A N ILE 158.A O no hydrogen 3.112 N/A THR 161.A OG1 ILE 158.A O no hydrogen 3.197 N/A LEU 162.A N ILE 158.A O no hydrogen 3.014 N/A GLN 165.A N LEU 142.A O no hydrogen 2.847 N/A VAL 167.A N ILE 144.A O no hydrogen 2.837 N/A ILE 169.A N VAL 146.A O no hydrogen 3.166 N/A GLY 170.A N ASP 102.A OD2 no hydrogen 2.788 N/A SER 171.A OG ASP 90.A OD2 no hydrogen 2.879 N/A ALA 172.A N ASP 90.A OD2 no hydrogen 2.765 N/A GLY 173.A N ASP 90.A OD2 no hydrogen 3.407 N/A ALA 174.A N SER 171.A OG no hydrogen 3.056 N/A LYS 175.A N SER 171.A O no hydrogen 3.125 N/A LYS 175.A NZ ILE 169.A O no hydrogen 2.787 N/A LYS 175.A NZ SER 171.A O no hydrogen 2.748 N/A ALA 176.A N ALA 172.A O no hydrogen 2.939 N/A MET 177.A N GLY 173.A O no hydrogen 2.948 N/A ALA 178.A N ALA 174.A O no hydrogen 2.968 N/A VAL 179.A N LYS 175.A O no hydrogen 3.364 N/A VAL 179.A N ALA 176.A O no hydrogen 3.044 N/A ILE 180.A N ALA 176.A O no hydrogen 3.257 N/A ASP 181.A N MET 177.A O no hydrogen 2.839 N/A GLY 182.A N VAL 179.A O no hydrogen 3.098 N/A TYR 183.A N ALA 178.A O no hydrogen 2.887 N/A VAL 184.A N ALA 178.A O no hydrogen 3.387 N/A ASP 185.A N ARG 143.A O no hydrogen 2.836 N/A TYR 187.A N MET 234.A O no hydrogen 2.702 N/A LEU 188.A N ALA 145.A O no hydrogen 3.275 N/A HIS 189.A N LEU 232.A O no hydrogen 3.047 N/A HIS 189.A NE2 GLY 192.A O no hydrogen 2.736 N/A GLY 192.A N PRO 230.A O no hydrogen 3.008 N/A GLN 193.A NE2 TYR 187.A OH no hydrogen 2.964 N/A TRP 194.A N ASP 197.A OD2 no hydrogen 3.087 N/A GLU 195.A N PRO 227.A O no hydrogen 2.813 N/A ASP 197.A N TRP 194.A O no hydrogen 2.936 N/A SER 198.A N GLU 195.A O no hydrogen 3.128 N/A SER 198.A OG TYR 222.A OH no hydrogen 2.821 N/A ALA 199.A N GLU 195.A O no hydrogen 2.861 N/A ALA 202.A N SER 198.A O no hydrogen 2.779 N/A GLY 203.A N ALA 199.A O no hydrogen 2.963 N/A VAL 204.A N ALA 200.A O no hydrogen 3.060 N/A MET 205.A N PRO 201.A O no hydrogen 2.851 N/A LEU 206.A N ALA 202.A O no hydrogen 2.910 N/A ALA 207.A N GLY 203.A O no hydrogen 3.013 N/A ALA 208.A N VAL 204.A O no hydrogen 2.970 N/A ALA 208.A N MET 205.A O no hydrogen 3.217 N/A GLY 209.A N LEU 206.A O no hydrogen 2.977 N/A MET 210.A N MET 205.A O no hydrogen 2.968 N/A HIS 211.A N CYS 235.A O no hydrogen 2.792 N/A HIS 211.A NE2 SER 213.A OG no hydrogen 2.700 N/A SER 213.A N LEU 233.A O no hydrogen 3.028 N/A SER 213.A OG HIS 211.A NE2 no hydrogen 2.700 N/A SER 213.A OG ARG 214.A O no hydrogen 2.783 N/A ARG 214.A N SER 218.A O no hydrogen 2.846 N/A ARG 214.A NE ASP 231.A OD1 no hydrogen 2.989 N/A ARG 214.A NH2 ASP 231.A OD2 no hydrogen 2.865 N/A LEU 215.A N ASP 231.A OD1 no hydrogen 2.965 N/A GLY 217.A N ARG 214.A O no hydrogen 2.927 N/A SER 218.A N ASP 216.A OD1 no hydrogen 2.959 N/A SER 218.A OG ASP 216.A OD1 no hydrogen 2.667 N/A TYR 222.A OH SER 198.A OG no hydrogen 2.821 N/A ASN 223.A N GLU 195.A OE1 no hydrogen 2.768 N/A ASN 223.A ND2 ARG 77.A O no hydrogen 3.041 N/A GLN 224.A N GLU 195.A OE2 no hydrogen 2.965 N/A GLN 224.A NE2 TYR 222.A O no hydrogen 2.914 N/A TYR 228.A N ASP 226.A OD1 no hydrogen 3.131 N/A LEU 229.A N GLN 193.A O no hydrogen 2.837 N/A LEU 232.A N HIS 189.A O no hydrogen 2.929 N/A LEU 233.A N SER 213.A O no hydrogen 2.823 N/A MET 234.A N TYR 187.A O no hydrogen 2.907 N/A CYS 235.A N HIS 211.A O no hydrogen 3.015 N/A CYS 235.A SG ARG 236.A O no hydrogen 3.348 N/A ARG 236.A N ASP 185.A O no hydrogen 3.465 N/A ARG 236.A NH2 ASP 185.A OD1 no hydrogen 3.001 N/A VAL 239.A N ARG 236.A O no hydrogen 3.074 N/A ALA 240.A N ALA 237.A O no hydrogen 3.187 N/A LEU 243.A N VAL 239.A O no hydrogen 3.126 N/A LEU 244.A N ALA 240.A O no hydrogen 2.800 N/A GLY 245.A N PRO 241.A O no hydrogen 2.922 N/A ALA 246.A N ILE 242.A O no hydrogen 3.088 N/A ILE 247.A N LEU 243.A O no hydrogen 2.925 N/A ALA 248.A N LEU 244.A O no hydrogen 2.965 N/A ASP 249.A N GLY 245.A O no hydrogen 2.840 N/A ALA 250.A N ALA 246.A O no hydrogen 2.906 N/A ALA 250.A N ILE 247.A O no hydrogen 3.207 N/A TRP 251.A N ALA 248.A O no hydrogen 3.199 N/A ARG 252.A NE ASP 249.A OD1 no hydrogen 3.478 N/A ARG 252.A NH2 ASP 249.A OD1 no hydrogen 3.345 N/A