Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xxl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A OG HIS 1.A O no hydrogen 2.974 N/A LEU 5.A N HIS 1.A O no hydrogen 3.337 N/A GLY 6.A N HIS 2.A O no hydrogen 2.890 N/A LEU 7.A N HIS 3.A O no hydrogen 2.892 N/A LYS 9.A N GLY 6.A O no hydrogen 2.891 N/A THR 10.A N LEU 7.A O no hydrogen 2.904 N/A THR 10.A OG1 LEU 7.A O no hydrogen 2.658 N/A ALA 11.A N ILE 8.A O no hydrogen 3.308 N/A ARG 14.A N HIS 17.A ND1 no hydrogen 3.002 N/A ARG 14.A NE GLU 16.A OE1 no hydrogen 3.366 N/A GLU 16.A N GLU 16.A OE2 no hydrogen 2.741 N/A HIS 17.A N ARG 14.A O no hydrogen 2.974 N/A ARG 18.A N ASP 82.A OD1 no hydrogen 2.902 N/A ARG 18.A NE GLN 38.A OE1 no hydrogen 3.261 N/A VAL 19.A N GLU 39.A O no hydrogen 2.855 N/A LEU 20.A N ILE 83.A O no hydrogen 2.958 N/A ASP 21.A N ILE 41.A O no hydrogen 2.779 N/A ILE 22.A N THR 85.A O no hydrogen 2.901 N/A GLY 23.A N VAL 43.A O no hydrogen 2.840 N/A ALA 24.A N VAL 43.A O no hydrogen 2.934 N/A GLY 25.A N ASP 44.A OD1 no hydrogen 2.834 N/A GLY 27.A N ALA 24.A O no hydrogen 3.001 N/A LEU 31.A N GLY 27.A O no hydrogen 2.994 N/A ALA 32.A N HIS 28.A O no hydrogen 3.002 N/A PHE 33.A N THR 29.A O no hydrogen 3.197 N/A SER 34.A N LEU 31.A O no hydrogen 3.249 N/A SER 34.A OG LEU 31.A O no hydrogen 2.732 N/A TYR 36.A N PHE 33.A O no hydrogen 2.995 N/A GLN 38.A N HIS 17.A O no hydrogen 2.992 N/A CYS 40.A N ASN 63.A O no hydrogen 2.936 N/A CYS 40.A SG ALA 30.A O no hydrogen 3.536 N/A ILE 41.A N VAL 19.A O no hydrogen 2.769 N/A GLY 42.A N ARG 65.A O no hydrogen 2.805 N/A VAL 43.A N ASP 21.A O no hydrogen 2.865 N/A ASP 44.A N GLN 67.A O no hydrogen 3.081 N/A THR 46.A N ASP 44.A OD2 no hydrogen 3.155 N/A THR 46.A OG1 ASP 44.A OD2 no hydrogen 3.386 N/A GLU 48.A N GLU 48.A OE2 no hydrogen 2.881 N/A GLU 50.A N LYS 47.A O no hydrogen 3.040 N/A VAL 51.A N GLU 48.A O no hydrogen 3.014 N/A SER 53.A N VAL 49.A O no hydrogen 3.097 N/A SER 53.A OG VAL 49.A O no hydrogen 2.609 N/A SER 54.A N GLU 50.A O no hydrogen 3.066 N/A SER 54.A OG GLU 50.A O no hydrogen 3.386 N/A SER 54.A OG VAL 51.A O no hydrogen 3.085 N/A PHE 55.A N VAL 51.A O no hydrogen 3.006 N/A ALA 56.A N ALA 52.A O no hydrogen 2.990 N/A GLN 57.A N SER 53.A O no hydrogen 3.130 N/A GLU 58.A N SER 54.A O no hydrogen 2.848 N/A LYS 59.A N PHE 55.A O no hydrogen 3.043 N/A GLY 60.A N GLN 57.A O no hydrogen 2.923 N/A VAL 61.A N ALA 56.A O no hydrogen 2.990 N/A ASN 63.A ND2 SER 34.A O no hydrogen 2.960 N/A ASN 63.A ND2 VAL 37.A O no hydrogen 3.181 N/A ASN 63.A ND2 GLN 38.A O no hydrogen 3.472 N/A ARG 65.A N CYS 40.A O no hydrogen 2.939 N/A GLN 67.A N GLY 42.A O no hydrogen 2.893 N/A GLN 68.A NE2 ALA 45.A O no hydrogen 2.811 N/A GLY 69.A N ASP 44.A O no hydrogen 2.895 N/A GLU 72.A N GLU 72.A OE1 no hydrogen 2.967 N/A SER 73.A N THR 70.A O no hydrogen 3.181 N/A LEU 74.A N GLU 102.A OE2 no hydrogen 2.848 N/A ASP 79.A N ARG 105.A O no hydrogen 2.915 N/A SER 80.A N VAL 106.A O no hydrogen 2.773 N/A SER 80.A OG PRO 77.A O no hydrogen 3.070 N/A PHE 81.A N VAL 106.A O no hydrogen 3.028 N/A ASP 82.A N ARG 18.A O no hydrogen 2.930 N/A ILE 83.A N ARG 18.A O no hydrogen 3.365 N/A ILE 84.A N ARG 112.A O no hydrogen 2.843 N/A THR 85.A N LEU 20.A O no hydrogen 2.781 N/A THR 85.A OG1 LEU 20.A O no hydrogen 3.536 N/A THR 85.A OG1 ASP 21.A OD1 no hydrogen 2.972 N/A CYS 86.A N LEU 114.A O no hydrogen 2.947 N/A CYS 86.A SG ILE 22.A O no hydrogen 3.971 N/A ARG 87.A NE THR 29.A OG1 no hydrogen 3.139 N/A ARG 87.A NH2 THR 29.A OG1 no hydrogen 3.234 N/A TYR 88.A N VAL 116.A O no hydrogen 2.737 N/A HIS 91.A N ASP 117.A OD1 no hydrogen 2.933 N/A HIS 91.A ND1 ASP 117.A OD1 no hydrogen 3.135 N/A HIS 91.A ND1 ASP 117.A OD2 no hydrogen 2.666 N/A HIS 92.A N ALA 89.A O no hydrogen 2.951 N/A HIS 92.A NE2 ASP 138.A OD2 no hydrogen 2.934 N/A PHE 93.A N ALA 90.A O no hydrogen 2.965 N/A SER 94.A OG GLU 72.A OE2 no hydrogen 3.281 N/A ASP 95.A N GLU 72.A OE2 no hydrogen 2.726 N/A LYS 98.A N ASP 95.A OD1 no hydrogen 3.327 N/A ALA 99.A N ASP 95.A O no hydrogen 2.982 N/A VAL 100.A N VAL 96.A O no hydrogen 2.977 N/A ARG 101.A N ARG 97.A O no hydrogen 3.279 N/A GLU 102.A N LYS 98.A O no hydrogen 3.010 N/A VAL 103.A N ALA 99.A O no hydrogen 2.819 N/A ALA 104.A N VAL 100.A O no hydrogen 2.897 N/A ARG 105.A N ARG 101.A O no hydrogen 3.018 N/A ARG 105.A NE GLU 102.A OE1 no hydrogen 3.014 N/A ARG 105.A NH1 PHE 76.A O no hydrogen 2.949 N/A ARG 105.A NH1 ASP 78.A OD1 no hydrogen 2.825 N/A ARG 105.A NH2 PHE 76.A O no hydrogen 3.187 N/A ARG 105.A NH2 GLU 102.A OE2 no hydrogen 3.061 N/A VAL 106.A N GLU 102.A O no hydrogen 3.066 N/A LEU 107.A N VAL 103.A O no hydrogen 3.037 N/A LYS 108.A N PHE 81.A O no hydrogen 2.831 N/A LYS 108.A NZ ASP 82.A OD1 no hydrogen 3.284 N/A GLN 109.A NE2 ARG 229.A O no hydrogen 3.180 N/A ASP 110.A N LYS 228.A O no hydrogen 2.806 N/A GLY 111.A N LYS 108.A O no hydrogen 2.732 N/A ARG 112.A N ASP 82.A O no hydrogen 2.976 N/A ARG 112.A NH1 GLN 225.A OE1 no hydrogen 2.778 N/A PHE 113.A N GLY 226.A O no hydrogen 2.794 N/A LEU 114.A N ILE 84.A O no hydrogen 2.776 N/A LEU 115.A N ILE 224.A O no hydrogen 2.880 N/A VAL 116.A N CYS 86.A O no hydrogen 2.883 N/A ASP 117.A N ILE 222.A O no hydrogen 3.370 N/A HIS 118.A N ASP 117.A OD2 no hydrogen 2.908 N/A HIS 118.A ND1 GLU 144.A OE1 no hydrogen 2.779 N/A TYR 119.A N LYS 220.A O no hydrogen 2.781 N/A ALA 120.A N SER 145.A O no hydrogen 3.082 N/A VAL 125.A N ASP 123.A OD2 no hydrogen 3.146 N/A LEU 126.A N ASP 123.A O no hydrogen 2.974 N/A ASP 127.A N ASP 123.A O no hydrogen 2.924 N/A GLU 128.A N PRO 124.A O no hydrogen 2.936 N/A PHE 129.A N VAL 125.A O no hydrogen 3.083 N/A VAL 130.A N LEU 126.A O no hydrogen 3.073 N/A ASN 131.A N ASP 127.A O no hydrogen 3.022 N/A ASN 131.A ND2 ASP 127.A O no hydrogen 3.036 N/A ASN 131.A ND2 ASP 127.A OD2 no hydrogen 2.982 N/A ASN 131.A ND2 GLU 144.A O no hydrogen 3.234 N/A HIS 132.A N GLU 128.A O no hydrogen 2.919 N/A LEU 133.A N PHE 129.A O no hydrogen 2.938 N/A ASN 134.A N VAL 130.A O no hydrogen 3.052 N/A ASN 134.A ND2 GLU 144.A OE2 no hydrogen 2.751 N/A ARG 135.A N ASN 131.A O no hydrogen 2.919 N/A ARG 135.A NE VAL 142.A O no hydrogen 3.324 N/A ARG 135.A NH2 VAL 142.A O no hydrogen 2.704 N/A LEU 136.A N HIS 132.A O no hydrogen 2.941 N/A ARG 137.A NE TRP 175.A O no hydrogen 3.115 N/A ARG 137.A NH2 TRP 175.A O no hydrogen 2.959 N/A ASP 138.A N ASN 134.A O no hydrogen 2.873 N/A SER 140.A N ASP 138.A OD1 no hydrogen 2.908 N/A HIS 141.A N ASP 138.A O no hydrogen 2.831 N/A HIS 141.A NE2 ASN 131.A OD1 no hydrogen 2.890 N/A VAL 142.A N HIS 91.A O no hydrogen 2.912 N/A ARG 143.A N HIS 91.A O no hydrogen 3.179 N/A ARG 143.A NE GLU 149.A OE2 no hydrogen 3.453 N/A ARG 143.A NH1 ASP 127.A OD2 no hydrogen 2.926 N/A ARG 143.A NH2 ASP 127.A OD1 no hydrogen 2.824 N/A ARG 143.A NH2 GLU 149.A OE1 no hydrogen 3.418 N/A ARG 143.A NH2 GLU 149.A OE2 no hydrogen 2.818 N/A GLU 144.A N ASN 131.A OD1 no hydrogen 2.837 N/A SER 146.A N GLU 149.A OE2 no hydrogen 2.922 N/A SER 148.A N GLU 122.A OE1 no hydrogen 3.101 N/A SER 148.A OG GLU 122.A OE1 no hydrogen 3.411 N/A SER 148.A OG GLU 122.A OE2 no hydrogen 2.691 N/A GLU 149.A N SER 146.A OG no hydrogen 3.242 N/A TRP 150.A N SER 146.A O no hydrogen 3.107 N/A GLN 151.A N LEU 147.A O no hydrogen 2.881 N/A GLN 151.A NE2 LEU 147.A O no hydrogen 3.278 N/A ALA 152.A N SER 148.A O no hydrogen 2.982 N/A SER 154.A N GLN 151.A O no hydrogen 3.035 N/A ALA 155.A N ALA 152.A O no hydrogen 2.918 N/A ASN 156.A N PHE 153.A O no hydrogen 3.067 N/A GLN 157.A N SER 154.A O no hydrogen 3.394 N/A GLN 157.A NE2 ALA 155.A O no hydrogen 3.565 N/A LEU 158.A N PHE 153.A O no hydrogen 2.905 N/A ALA 159.A N ILE 227.A O no hydrogen 2.717 N/A GLN 161.A N GLN 225.A O no hydrogen 2.885 N/A ILE 163.A N LEU 223.A O no hydrogen 2.838 N/A TRP 166.A N ALA 221.A O no hydrogen 2.977 N/A LEU 168.A N LEU 219.A O no hydrogen 2.778 N/A ILE 170.A N PHE 217.A O no hydrogen 2.766 N/A TYR 172.A N ILE 215.A O no hydrogen 2.986 N/A TYR 172.A OH GLU 186.A OE2 no hydrogen 2.646 N/A TRP 175.A N GLN 171.A O no hydrogen 2.992 N/A ILE 176.A N TYR 172.A O no hydrogen 2.935 N/A LYS 177.A N ASP 173.A O no hydrogen 3.100 N/A ARG 178.A N SER 174.A O no hydrogen 2.935 N/A GLY 179.A N TRP 175.A O no hydrogen 3.189 N/A GLY 180.A N LYS 177.A O no hydrogen 3.067 N/A THR 181.A N ILE 176.A O no hydrogen 3.520 N/A ARG 185.A NE LEU 136.A O no hydrogen 3.124 N/A GLU 186.A N PRO 182.A O no hydrogen 2.855 N/A LYS 187.A N ALA 183.A O no hydrogen 2.759 N/A GLN 188.A N ASP 184.A O no hydrogen 3.157 N/A GLN 188.A NE2 ASP 184.A O no hydrogen 3.690 N/A GLN 188.A NE2 ASP 184.A OD1 no hydrogen 3.472 N/A ILE 189.A N ARG 185.A O no hydrogen 3.114 N/A ILE 190.A N GLU 186.A O no hydrogen 2.893 N/A THR 191.A N LYS 187.A O no hydrogen 3.012 N/A THR 191.A OG1 LYS 187.A O no hydrogen 3.132 N/A HIS 192.A N GLN 188.A O no hydrogen 2.973 N/A HIS 192.A NE2 PHE 129.A O no hydrogen 2.808 N/A LEU 193.A N ILE 189.A O no hydrogen 2.977 N/A ASN 194.A N ILE 190.A O no hydrogen 2.878 N/A HIS 195.A N THR 191.A O no hydrogen 2.911 N/A HIS 195.A ND1 THR 191.A O no hydrogen 2.874 N/A ALA 196.A N LEU 193.A O no hydrogen 3.386 N/A SER 197.A OG GLU 199.A OE1 no hydrogen 3.061 N/A ALA 200.A N SER 197.A OG no hydrogen 3.082 N/A ARG 201.A N SER 197.A O no hydrogen 2.943 N/A ARG 201.A NH1 ASN 194.A O no hydrogen 3.091 N/A ARG 201.A NH1 ALA 196.A O no hydrogen 2.895 N/A ASP 202.A N ASP 198.A O no hydrogen 3.014 N/A THR 203.A N GLU 199.A O no hydrogen 2.871 N/A THR 203.A OG1 GLU 199.A O no hydrogen 2.919 N/A PHE 204.A N ALA 200.A O no hydrogen 2.848 N/A CYS 205.A N ASP 202.A O no hydrogen 3.399 N/A CYS 205.A SG ASP 202.A O no hydrogen 4.010 N/A ILE 206.A N ARG 201.A O no hydrogen 3.159 N/A THR 207.A N SER 216.A O no hydrogen 2.861 N/A ASN 209.A N GLN 213.A O no hydrogen 2.797 N/A ASN 209.A ND2 GLN 213.A O no hydrogen 3.077 N/A GLY 212.A N ASN 209.A O no hydrogen 2.912 N/A ILE 215.A N THR 207.A O no hydrogen 2.836 N/A SER 216.A N THR 207.A O no hydrogen 3.204 N/A PHE 217.A N ILE 170.A O no hydrogen 3.126 N/A CYS 218.A N PHE 204.A O no hydrogen 2.777 N/A LEU 219.A N LEU 168.A O no hydrogen 2.938 N/A LYS 220.A NZ ASN 167.A OD1 no hydrogen 2.806 N/A LYS 220.A NZ THR 203.A O no hydrogen 3.150 N/A ALA 221.A N TRP 166.A O no hydrogen 2.853 N/A ILE 222.A N ASP 117.A O no hydrogen 3.087 N/A LEU 223.A N GLN 164.A O no hydrogen 2.856 N/A ILE 224.A N LEU 115.A O no hydrogen 2.807 N/A GLN 225.A N GLN 161.A O no hydrogen 2.804 N/A GLY 226.A N PHE 113.A O no hydrogen 2.770 N/A ILE 227.A N ALA 159.A O no hydrogen 2.992 N/A LYS 228.A N GLY 111.A O no hydrogen 3.205 N/A LYS 228.A NZ ASP 79.A OD1 no hydrogen 2.819 N/A LYS 228.A NZ ALA 104.A O no hydrogen 2.788 N/A LYS 228.A NZ LEU 107.A O no hydrogen 2.621 N/A ARG 229.A N GLN 157.A O no hydrogen 2.871 N/A ARG 229.A NH1 ASP 110.A OD1 no hydrogen 2.644 N/A