Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5le1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 2.A N GLY 1.A O no hydrogen 2.258 N/A TYR 3.A OH SER 25.A OG no hydrogen 2.879 N/A TYR 3.A OH ASN 40.A OD1 no hydrogen 2.767 N/A THR 5.A N GLU 8.A OE1 no hydrogen 3.037 N/A GLU 8.A N THR 5.A O no hydrogen 2.951 N/A ILE 9.A N VAL 6.A O no hydrogen 3.366 N/A GLU 13.A N PRO 10.A O no hydrogen 2.986 N/A ARG 15.A N ILE 27.A O no hydrogen 2.932 N/A ARG 15.A NH1 GLU 13.A OE1 no hydrogen 2.884 N/A ARG 15.A NH2 GLU 8.A O no hydrogen 2.920 N/A ARG 15.A NH2 GLU 13.A OE1 no hydrogen 3.364 N/A TYR 17.A N SER 25.A O no hydrogen 2.913 N/A TYR 17.A OH GLY 1.A O no hydrogen 3.334 N/A ILE 19.A N.A VAL 23.A O no hydrogen 2.894 N/A ILE 19.A N.B VAL 23.A O no hydrogen 2.879 N/A ALA 20.A N VAL 23.A O no hydrogen 3.247 N/A VAL 23.A N ALA 20.A O no hydrogen 2.979 N/A TRP 24.A N ILE 43.A O no hydrogen 2.919 N/A SER 25.A N TYR 17.A O no hydrogen 2.879 N/A SER 25.A OG TYR 3.A OH no hydrogen 2.879 N/A HIS 26.A N GLY 41.A O no hydrogen 2.991 N/A HIS 26.A NE2 ASP 54.A O no hydrogen 2.953 N/A ILE 27.A N ARG 15.A O no hydrogen 2.869 N/A ALA 28.A N SER 39.A O no hydrogen 2.965 N/A THR 29.A OG1 ILE 9.A O no hydrogen 2.828 N/A GLN 30.A N TYR 37.A O no hydrogen 2.966 N/A GLN 30.A NE2 TRP 57.A O no hydrogen 3.006 N/A SER 31.A N GLN 30.A OE1 no hydrogen 2.921 N/A PHE 32.A N ALA 35.A O no hydrogen 2.829 N/A ALA 35.A N PHE 32.A O no hydrogen 2.978 N/A TYR 37.A N GLN 30.A O no hydrogen 2.918 N/A SER 39.A N ALA 28.A O no hydrogen 2.846 N/A ASN 40.A N GLY 209.A O no hydrogen 2.828 N/A ASN 40.A ND2 PRO 208.A O no hydrogen 2.888 N/A ASN 40.A ND2 GLY 211.A O no hydrogen 2.822 N/A GLY 41.A N HIS 26.A O no hydrogen 2.894 N/A LEU 42.A N ILE 53.A O no hydrogen 2.921 N/A ILE 43.A N TRP 24.A O no hydrogen 2.790 N/A VAL 44.A N LEU 51.A O no hydrogen 2.882 N/A ARG 45.A N GLY 22.A O no hydrogen 2.877 N/A ARG 45.A NH1 GLY 47.A O no hydrogen 2.871 N/A ASP 46.A N GLU 49.A O no hydrogen 2.717 N/A ASP 48.A N ASP 48.A OD1 no hydrogen 2.678 N/A GLU 49.A N ASP 46.A O no hydrogen 2.988 N/A LEU 50.A N PRO 76.A O no hydrogen 2.830 N/A LEU 51.A N VAL 44.A O no hydrogen 2.893 N/A LEU 52.A N ARG 79.A O no hydrogen 2.927 N/A ILE 53.A N LEU 42.A O no hydrogen 2.781 N/A ASP 54.A N VAL 81.A O no hydrogen 2.821 N/A THR 55.A N ARG 89.A O no hydrogen 3.146 N/A THR 55.A OG1 GLY 91.A O no hydrogen 2.704 N/A ALA 56.A N THR 62.A OG1 no hydrogen 3.165 N/A TRP 57.A N THR 55.A OG1 no hydrogen 3.382 N/A GLY 58.A N GLY 91.A O no hydrogen 2.817 N/A ASN 61.A ND2 THR 29.A O no hydrogen 2.908 N/A ASN 61.A ND2 ALA 56.A O no hydrogen 2.992 N/A THR 62.A N GLY 58.A O no hydrogen 2.871 N/A THR 62.A OG1 GLY 58.A O no hydrogen 2.813 N/A THR 62.A OG1 GLY 91.A O no hydrogen 3.370 N/A ALA 63.A N ALA 59.A O no hydrogen 2.910 N/A ALA 64.A N LYS 60.A O no hydrogen 3.049 N/A LEU 65.A N ASN 61.A O no hydrogen 2.829 N/A LEU 66.A N THR 62.A O no hydrogen 3.014 N/A ALA 67.A N ALA 63.A O no hydrogen 3.049 N/A GLU 68.A N ALA 64.A O no hydrogen 2.894 N/A ILE 69.A N LEU 65.A O no hydrogen 2.885 N/A GLU 70.A N LEU 66.A O no hydrogen 3.031 N/A LYS 71.A N ALA 67.A O no hydrogen 2.987 N/A GLN 72.A N GLU 68.A O no hydrogen 2.910 N/A GLN 72.A NE2 GLU 68.A OE1 no hydrogen 2.439 N/A ILE 73.A N ILE 69.A O no hydrogen 2.794 N/A GLY 74.A N ILE 69.A O no hydrogen 2.922 N/A THR 78.A N LEU 50.A O no hydrogen 3.095 N/A THR 78.A OG1 GLU 49.A OE1 no hydrogen 2.742 N/A ARG 79.A NH2 ASP 46.A OD2 no hydrogen 2.912 N/A ALA 80.A N ALA 102.A O no hydrogen 2.939 N/A VAL 81.A N LEU 52.A O no hydrogen 2.905 N/A SER 82.A N TYR 104.A O no hydrogen 2.982 N/A SER 82.A OG ARG 89.A O no hydrogen 2.820 N/A THR 83.A N ASP 54.A OD1 no hydrogen 2.762 N/A THR 83.A OG1 ASP 54.A OD1 no hydrogen 3.269 N/A THR 83.A OG1 ASP 54.A OD2 no hydrogen 2.679 N/A HIS 84.A NE2 HIS 86.A ND1 no hydrogen 3.112 N/A HIS 86.A NE2 ASP 183.A OD2 no hydrogen 2.749 N/A ARG 89.A N HIS 86.A O no hydrogen 2.907 N/A ARG 89.A NE ASP 88.A OD2 no hydrogen 3.119 N/A ARG 89.A NH1 ASN 40.A O no hydrogen 2.845 N/A ARG 89.A NH1 ASP 54.A OD2 no hydrogen 2.975 N/A ARG 89.A NH2 ASN 40.A O no hydrogen 3.430 N/A ARG 89.A NH2 ASP 88.A OD2 no hydrogen 2.934 N/A ARG 89.A NH2 GLY 209.A O no hydrogen 3.232 N/A VAL 90.A N HIS 86.A O no hydrogen 3.114 N/A GLY 91.A N ASP 87.A O no hydrogen 2.859 N/A GLY 92.A N GLU 119.A OE1 no hydrogen 3.173 N/A GLY 92.A N GLU 119.A OE2 no hydrogen 3.038 N/A VAL 93.A N VAL 90.A O no hydrogen 3.011 N/A ASP 94.A N GLU 119.A OE1 no hydrogen 2.899 N/A LEU 96.A N GLY 92.A O no hydrogen 3.064 N/A ARG 97.A N.B VAL 93.A O no hydrogen 2.920 N/A ARG 97.A N.C VAL 93.A O no hydrogen 2.917 N/A ARG 97.A N.D VAL 93.A O no hydrogen 2.959 N/A ARG 97.A NE.D THR 122.A OG1 no hydrogen 3.146 N/A ARG 97.A NH2.D ASP 94.A OD1 no hydrogen 3.098 N/A ARG 97.A NH2.D ILE 120.A O no hydrogen 3.138 N/A ARG 97.A O.B LEU 96.A O no hydrogen 3.379 N/A ARG 97.A O.C LEU 96.A O no hydrogen 3.382 N/A ARG 97.A O.D LEU 96.A O no hydrogen 3.343 N/A ALA 98.A N ASP 94.A O no hydrogen 2.980 N/A ALA 99.A N VAL 95.A O no hydrogen 3.025 N/A ALA 99.A N LEU 96.A O no hydrogen 3.048 N/A GLY 100.A N ARG 97.A O.B no hydrogen 2.960 N/A GLY 100.A N ARG 97.A O.C no hydrogen 2.974 N/A GLY 100.A N ARG 97.A O.D no hydrogen 2.955 N/A VAL 101.A N LEU 96.A O no hydrogen 2.921 N/A ALA 102.A N THR 78.A O no hydrogen 3.008 N/A TYR 104.A N ALA 80.A O no hydrogen 2.804 N/A ALA 105.A N HIS 123.A O no hydrogen 3.030 N/A SER 106.A OG THR 109.A OG1 no hydrogen 3.091 N/A THR 109.A N SER 106.A OG no hydrogen 2.993 N/A THR 109.A OG1 SER 106.A OG no hydrogen 3.091 N/A THR 109.A OG1 ASP 152.A OD2 no hydrogen 2.674 N/A ARG 110.A N SER 106.A O no hydrogen 2.979 N/A ARG 110.A NE PRO 121.A O no hydrogen 2.753 N/A ARG 110.A NH2 PRO 121.A O no hydrogen 3.524 N/A ARG 111.A N PRO 107.A O no hydrogen 3.021 N/A LEU 112.A N SER 108.A O no hydrogen 2.865 N/A ALA 113.A N THR 109.A O no hydrogen 2.863 N/A GLU 114.A N.A ARG 110.A O no hydrogen 3.147 N/A GLU 114.A N.B ARG 110.A O no hydrogen 3.148 N/A VAL 115.A N ARG 111.A O no hydrogen 3.130 N/A GLU 116.A N LEU 112.A O no hydrogen 3.040 N/A GLY 117.A N GLU 114.A O.A no hydrogen 3.082 N/A GLY 117.A N GLU 114.A O.B no hydrogen 3.087 N/A ASN 118.A N ALA 113.A O no hydrogen 2.936 N/A ASN 118.A ND2 PHE 85.A O no hydrogen 2.900 N/A THR 122.A N THR 103.A OG1 no hydrogen 2.884 N/A THR 122.A OG1 THR 103.A OG1 no hydrogen 3.148 N/A HIS 123.A N THR 103.A O no hydrogen 2.841 N/A LEU 125.A N ALA 105.A O no hydrogen 2.854 N/A SER 130.A N ASP 133.A OD2 no hydrogen 2.878 N/A GLY 132.A N TYR 144.A O no hydrogen 2.754 N/A ASP 133.A N SER 130.A O no hydrogen 2.934 N/A VAL 135.A N LEU 142.A O no hydrogen 2.903 N/A PHE 137.A N VAL 140.A O no hydrogen 2.868 N/A VAL 140.A N PHE 137.A O no hydrogen 3.180 N/A GLU 141.A N TYR 157.A O no hydrogen 2.860 N/A LEU 142.A N VAL 135.A O no hydrogen 2.808 N/A PHE 143.A N VAL 155.A O no hydrogen 2.922 N/A TYR 144.A N ASP 133.A O no hydrogen 2.906 N/A TYR 144.A OH THR 151.A O no hydrogen 2.611 N/A ALA 148.A N SER 150.A O no hydrogen 2.959 N/A HIS 149.A NE2 HIS 86.A ND1 no hydrogen 3.251 N/A SER 150.A N ASN 153.A OD1 no hydrogen 3.057 N/A SER 150.A OG ASP 152.A OD1 no hydrogen 2.703 N/A ASP 152.A N ASP 152.A OD1 no hydrogen 2.706 N/A ASN 153.A ND2 GLY 146.A O no hydrogen 2.946 N/A ASN 153.A ND2 ASN 153.A O no hydrogen 2.816 N/A LEU 154.A N THR 83.A O no hydrogen 2.864 N/A VAL 155.A N PHE 143.A O no hydrogen 2.879 N/A VAL 156.A N TYR 165.A O no hydrogen 3.014 N/A TYR 157.A N GLU 141.A O no hydrogen 2.896 N/A VAL 158.A N VAL 163.A O no hydrogen 2.831 N/A ALA 161.A N VAL 158.A O no hydrogen 3.146 N/A SER 162.A N PRO 159.A O no hydrogen 3.448 N/A VAL 163.A N VAL 158.A O no hydrogen 3.406 N/A LEU 164.A N PHE 205.A O no hydrogen 2.815 N/A TYR 165.A N VAL 156.A O no hydrogen 2.733 N/A TYR 165.A OH ASN 40.A O no hydrogen 3.145 N/A TYR 165.A OH ASP 54.A OD2 no hydrogen 2.635 N/A GLY 166.A N ILE 207.A O.A no hydrogen 2.773 N/A GLY 166.A N ILE 207.A O.B no hydrogen 2.883 N/A CYS 168.A SG ASP 88.A OD2 no hydrogen 3.608 N/A CYS 168.A SG HIS 210.A NE2 no hydrogen 3.452 N/A ILE 170.A N GLY 167.A O no hydrogen 3.098 N/A TYR 171.A N THR 222.A OG1 no hydrogen 2.810 N/A ARG 175.A N.A GLU 172.A O no hydrogen 3.090 N/A ARG 175.A N.B GLU 172.A O no hydrogen 3.100 N/A GLY 179.A N TYR 171.A OH no hydrogen 3.026 N/A ALA 182.A N ASN 180.A OD1 no hydrogen 3.016 N/A ALA 184.A N VAL 181.A O no hydrogen 3.053 N/A ASP 185.A N ALA 148.A O no hydrogen 2.969 N/A GLU 188.A N ASP 185.A O no hydrogen 3.237 N/A GLU 188.A N ASP 185.A OD1 no hydrogen 3.122 N/A TRP 189.A N ASP 185.A O no hydrogen 2.953 N/A TRP 189.A NE1 ALA 169.A O no hydrogen 2.915 N/A SER 192.A N GLU 188.A O no hydrogen 2.908 N/A SER 192.A OG PRO 145.A O no hydrogen 3.344 N/A SER 192.A OG ALA 147.A O no hydrogen 2.695 N/A SER 192.A OG GLU 188.A O no hydrogen 3.303 N/A ILE 193.A N TRP 189.A O no hydrogen 3.000 N/A GLU 194.A N PRO 190.A O no hydrogen 2.963 N/A ARG 195.A N THR 191.A O no hydrogen 3.012 N/A ARG 195.A NH1 PRO 145.A O no hydrogen 2.776 N/A ARG 195.A NH1 GLU 188.A OE1 no hydrogen 3.168 N/A ARG 195.A NH2 GLU 188.A OE1 no hydrogen 3.010 N/A ILE 196.A N SER 192.A O no hydrogen 3.117 N/A GLN 197.A N ILE 193.A O no hydrogen 2.928 N/A GLN 198.A N GLU 194.A O no hydrogen 2.952 N/A HIS 199.A N ARG 195.A O no hydrogen 3.004 N/A HIS 199.A N ILE 196.A O no hydrogen 3.139 N/A TYR 200.A N ILE 196.A O no hydrogen 2.929 N/A TYR 200.A OH GLU 141.A OE1 no hydrogen 2.623 N/A ALA 203.A N TYR 200.A O no hydrogen 3.276 N/A GLN 204.A N SER 162.A O no hydrogen 2.853 N/A PHE 205.A N SER 162.A O no hydrogen 3.310 N/A VAL 206.A N GLY 214.A O no hydrogen 2.805 N/A ILE 207.A N.A LEU 164.A O no hydrogen 2.851 N/A ILE 207.A N.B LEU 164.A O no hydrogen 2.865 N/A GLY 209.A N GLY 167.A O no hydrogen 2.856 N/A HIS 210.A ND1 PRO 38.A O no hydrogen 2.778 N/A LEU 212.A N.A GLU 172.A OE1 no hydrogen 2.987 N/A LEU 212.A N.B GLU 172.A OE1 no hydrogen 2.993 N/A GLY 214.A N VAL 206.A O no hydrogen 2.923 N/A GLY 215.A N ASP 217.A OD1 no hydrogen 2.917 N/A LEU 218.A N GLY 215.A O no hydrogen 2.989 N/A LEU 219.A N LEU 216.A O no hydrogen 2.959 N/A HIS 221.A N ASP 217.A O no hydrogen 3.055 N/A HIS 221.A NE2 ARG 175.A O.A no hydrogen 2.807 N/A HIS 221.A NE2 ARG 175.A O.B no hydrogen 2.724 N/A THR 222.A N LEU 218.A O no hydrogen 2.942 N/A THR 222.A OG1 LEU 218.A O no hydrogen 2.839 N/A THR 223.A N LEU 219.A O no hydrogen 3.014 N/A THR 223.A OG1 LEU 219.A O no hydrogen 3.162 N/A ASN 224.A N LYS 220.A O no hydrogen 2.926 N/A VAL 225.A N HIS 221.A O no hydrogen 2.970 N/A VAL 226.A N THR 222.A O no hydrogen 2.860 N/A LYS 227.A N THR 223.A O no hydrogen 2.919 N/A ALA 228.A N ASN 224.A O no hydrogen 2.986 N/A HIS 229.A N VAL 225.A O no hydrogen 3.099 N/A THR 230.A N VAL 226.A O no hydrogen 3.124 N/A THR 230.A OG1 VAL 226.A O no hydrogen 3.173 N/A ASN 231.A N LYS 227.A O no hydrogen 2.812 N/A