Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4hd8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A N ASP 6.A OD2 no hydrogen 2.895 N/A SER 3.A OG ASP 6.A OD2 no hydrogen 3.409 N/A VAL 7.A N SER 3.A O no hydrogen 3.176 N/A ALA 8.A N LEU 4.A O no hydrogen 2.975 N/A GLU 9.A N GLN 5.A O no hydrogen 2.785 N/A LEU 10.A N ASP 6.A O no hydrogen 2.800 N/A ILE 11.A N VAL 7.A O no hydrogen 2.887 N/A ARG 12.A N ALA 8.A O no hydrogen 2.732 N/A ALA 13.A N GLU 9.A O no hydrogen 2.930 N/A ARG 14.A N ILE 11.A O no hydrogen 3.010 N/A ALA 15.A N LEU 10.A O no hydrogen 3.119 N/A CYS 16.A N LEU 10.A O no hydrogen 3.104 N/A CYS 16.A SG ASP 180.A O no hydrogen 3.763 N/A GLN 17.A N ASP 180.A OD1 no hydrogen 3.053 N/A GLN 17.A NE2 ARG 14.A O no hydrogen 3.035 N/A ARG 18.A N ASP 180.A OD1 no hydrogen 2.907 N/A VAL 19.A N LEU 88.A O no hydrogen 2.830 N/A VAL 20.A N LEU 181.A O no hydrogen 2.962 N/A VAL 21.A N ARG 91.A O no hydrogen 2.855 N/A MET 22.A N LEU 183.A O no hydrogen 2.756 N/A VAL 23.A N TYR 93.A O no hydrogen 2.852 N/A GLY 24.A N LEU 185.A O no hydrogen 3.317 N/A GLY 26.A N GLY 186.A O no hydrogen 2.760 N/A ILE 27.A N GLY 24.A O no hydrogen 3.133 N/A SER 28.A N ALA 25.A O no hydrogen 2.892 N/A SER 28.A OG ASP 98.A OD2 no hydrogen 2.713 N/A THR 29.A N ALA 25.A O no hydrogen 3.182 N/A SER 31.A N SER 28.A O no hydrogen 2.913 N/A SER 31.A OG LYS 72.A O no hydrogen 2.619 N/A SER 31.A OG ASN 74.A OD1 no hydrogen 2.820 N/A GLY 32.A N THR 29.A O no hydrogen 3.024 N/A ILE 33.A N SER 28.A O no hydrogen 3.476 N/A PHE 36.A N ASP 35.A OD1 no hydrogen 2.470 N/A TYR 42.A OH GLU 48.A OE1 no hydrogen 2.859 N/A ALA 45.A N TYR 42.A O no hydrogen 3.175 N/A ILE 46.A N PRO 43.A O no hydrogen 3.311 N/A PHE 47.A N GLU 44.A O no hydrogen 2.933 N/A GLU 48.A N ALA 45.A O no hydrogen 3.233 N/A PHE 52.A N GLU 48.A O no hydrogen 2.943 N/A PHE 53.A N LEU 49.A O no hydrogen 2.870 N/A HIS 54.A N PRO 50.A O no hydrogen 3.058 N/A ASN 55.A N PHE 51.A O no hydrogen 2.664 N/A LYS 57.A N ASN 55.A OD1 no hydrogen 3.322 N/A PHE 60.A N PRO 56.A O no hydrogen 3.175 N/A THR 61.A N LYS 57.A O no hydrogen 2.859 N/A THR 61.A OG1 LYS 57.A O no hydrogen 2.896 N/A LEU 62.A N PRO 58.A O no hydrogen 3.098 N/A ALA 63.A N PHE 59.A O no hydrogen 2.748 N/A LYS 64.A N PHE 60.A O no hydrogen 2.954 N/A LYS 64.A NZ MET 140.A O no hydrogen 3.343 N/A LYS 64.A NZ ASP 142.A OD1 no hydrogen 3.388 N/A LYS 64.A NZ ASP 142.A OD2 no hydrogen 3.332 N/A GLU 65.A N THR 61.A O no hydrogen 3.204 N/A LEU 66.A N LEU 62.A O no hydrogen 2.956 N/A LEU 66.A N ALA 63.A O no hydrogen 3.089 N/A TYR 67.A N ALA 63.A O no hydrogen 2.789 N/A TYR 67.A OH GLY 132.A O no hydrogen 3.355 N/A ASN 70.A ND2 LYS 64.A O no hydrogen 3.090 N/A ASN 70.A ND2 GLU 65.A O no hydrogen 2.964 N/A ASN 70.A ND2 TYR 67.A O no hydrogen 3.443 N/A ASN 74.A N HIS 77.A ND1 no hydrogen 3.120 N/A TYR 78.A N ASN 74.A O no hydrogen 3.055 N/A PHE 79.A N VAL 75.A O no hydrogen 2.673 N/A LEU 80.A N THR 76.A O no hydrogen 3.237 N/A ARG 81.A N HIS 77.A O no hydrogen 2.903 N/A ARG 81.A NE ASP 85.A OD1 no hydrogen 2.982 N/A ARG 81.A NH2 SER 104.A O no hydrogen 2.817 N/A ARG 81.A NH2 GLU 257.A OE2 no hydrogen 3.269 N/A LEU 82.A N TYR 78.A O no hydrogen 2.878 N/A LEU 83.A N PHE 79.A O no hydrogen 3.079 N/A HIS 84.A N LEU 80.A O no hydrogen 3.124 N/A ASP 85.A N ARG 81.A O no hydrogen 2.927 N/A LYS 86.A N LEU 82.A O no hydrogen 2.962 N/A LYS 86.A N LEU 83.A O no hydrogen 3.271 N/A LYS 86.A NZ GLU 249.A OE2 no hydrogen 2.829 N/A GLY 87.A N HIS 84.A O no hydrogen 3.151 N/A LEU 88.A N LEU 83.A O no hydrogen 2.943 N/A LEU 90.A N VAL 19.A O no hydrogen 2.796 N/A ARG 91.A NE ASP 175.A OD1 no hydrogen 3.439 N/A ARG 91.A NE ASP 175.A OD2 no hydrogen 2.905 N/A ARG 91.A NH1 SER 109.A O no hydrogen 2.926 N/A ARG 91.A NH2 ASP 175.A OD1 no hydrogen 2.883 N/A LEU 92.A N LYS 110.A O no hydrogen 2.835 N/A TYR 93.A N VAL 21.A O no hydrogen 2.826 N/A TYR 93.A OH ASP 175.A OD2 no hydrogen 2.492 N/A THR 94.A N VAL 112.A O no hydrogen 3.060 N/A THR 94.A OG1 GLU 101.A OE2 no hydrogen 2.653 N/A GLN 95.A N VAL 23.A O no hydrogen 3.006 N/A GLN 95.A NE2 THR 187.A OG1 no hydrogen 2.812 N/A ASN 96.A N THR 94.A OG1 no hydrogen 2.963 N/A ASN 96.A ND2 GLY 24.A O no hydrogen 2.893 N/A LEU 100.A N ASP 98.A OD1 no hydrogen 2.838 N/A GLU 101.A N GLU 101.A OE1 no hydrogen 2.809 N/A ARG 102.A NH1 GLU 113.A OE2 no hydrogen 2.757 N/A VAL 103.A N GLY 99.A O no hydrogen 3.052 N/A SER 104.A N LEU 100.A O no hydrogen 2.902 N/A SER 104.A N GLU 101.A O no hydrogen 3.229 N/A SER 104.A OG GLU 101.A O no hydrogen 2.691 N/A GLY 105.A N ARG 102.A O no hydrogen 2.835 N/A ILE 106.A N GLU 101.A O no hydrogen 3.387 N/A LYS 110.A N PRO 107.A O no hydrogen 2.784 N/A LYS 110.A NZ HIS 84.A ND1 no hydrogen 2.834 N/A LYS 110.A NZ LEU 89.A O no hydrogen 3.061 N/A LEU 111.A N ALA 108.A O no hydrogen 3.106 N/A VAL 112.A N LEU 92.A O no hydrogen 2.830 N/A ALA 114.A N THR 94.A O no hydrogen 3.010 N/A HIS 115.A ND1 GLN 95.A O no hydrogen 2.945 N/A GLY 116.A N GLU 113.A O no hydrogen 2.828 N/A THR 117.A N ASP 157.A O no hydrogen 2.942 N/A ALA 119.A N THR 117.A OG1 no hydrogen 2.937 N/A SER 120.A OG ASP 157.A OD2 no hydrogen 2.577 N/A ALA 121.A N PHE 130.A O no hydrogen 2.983 N/A THR 122.A N LYS 155.A O no hydrogen 2.842 N/A THR 122.A OG1 ASP 157.A OD1 no hydrogen 2.834 N/A CYS 123.A N ARG 128.A O no hydrogen 2.801 N/A THR 124.A N VAL 153.A O no hydrogen 2.766 N/A THR 124.A OG1 VAL 153.A O no hydrogen 2.504 N/A GLN 127.A N CYS 123.A O no hydrogen 3.114 N/A GLN 127.A NE2 THR 124.A O no hydrogen 3.299 N/A PHE 130.A N ALA 121.A O no hydrogen 3.080 N/A GLY 132.A N ALA 119.A O no hydrogen 2.907 N/A GLU 133.A N GLU 133.A OE1 no hydrogen 2.595 N/A ASP 134.A N PRO 131.A O no hydrogen 2.877 N/A ILE 135.A N GLY 132.A O no hydrogen 3.278 N/A ARG 136.A N GLU 133.A O no hydrogen 3.239 N/A VAL 139.A N ILE 135.A O no hydrogen 2.878 N/A MET 140.A N ARG 136.A O no hydrogen 2.804 N/A ALA 141.A N ALA 137.A O no hydrogen 2.889 N/A ASP 142.A N VAL 139.A O no hydrogen 2.918 N/A ARG 143.A N ASP 138.A O no hydrogen 2.712 N/A ARG 143.A NE ASP 138.A OD1 no hydrogen 3.033 N/A ARG 143.A NH2 ASP 138.A OD1 no hydrogen 2.864 N/A ARG 146.A NH1 THR 151.A O no hydrogen 2.990 N/A CYS 147.A N GLY 152.A O no hydrogen 2.680 N/A THR 151.A N CYS 147.A O no hydrogen 2.974 N/A THR 151.A OG1 CYS 150.A O no hydrogen 2.505 N/A VAL 154.A N PRO 145.A O no hydrogen 3.063 N/A LYS 155.A N THR 122.A O no hydrogen 2.988 N/A LYS 155.A NZ PRO 156.A O no hydrogen 3.128 N/A LYS 155.A NZ ILE 158.A O no hydrogen 2.706 N/A ASP 157.A N SER 120.A O no hydrogen 2.845 N/A ILE 158.A N PRO 156.A O no hydrogen 2.765 N/A VAL 159.A N HIS 115.A O no hydrogen 3.037 N/A PHE 160.A N GLU 163.A OE1 no hydrogen 2.735 N/A PHE 161.A N PHE 47.A O no hydrogen 2.749 N/A GLU 163.A N PHE 160.A O no hydrogen 3.067 N/A ARG 168.A NE LEU 111.A O no hydrogen 2.931 N/A ARG 168.A NH2 SER 109.A O no hydrogen 3.041 N/A ARG 168.A NH2 LEU 111.A O no hydrogen 2.750 N/A PHE 169.A N PRO 166.A O no hydrogen 2.868 N/A LEU 170.A N GLN 167.A O no hydrogen 2.939 N/A LEU 171.A N ARG 168.A O no hydrogen 2.926 N/A HIS 172.A N PHE 169.A O no hydrogen 2.974 N/A HIS 172.A ND1 PHE 169.A O no hydrogen 2.936 N/A VAL 173.A N LEU 170.A O no hydrogen 3.057 N/A VAL 174.A N LEU 171.A O no hydrogen 2.949 N/A ASP 175.A N LEU 171.A O no hydrogen 2.893 N/A PHE 176.A N HIS 172.A O no hydrogen 3.231 N/A MET 178.A N VAL 174.A O no hydrogen 3.341 N/A ALA 179.A N PHE 176.A O no hydrogen 3.316 N/A ASP 180.A N ARG 18.A O no hydrogen 2.935 N/A LEU 182.A N PRO 206.A O no hydrogen 3.032 N/A LEU 183.A N VAL 20.A O no hydrogen 2.971 N/A ILE 184.A N LEU 208.A O no hydrogen 2.881 N/A LEU 185.A N MET 22.A O no hydrogen 2.914 N/A GLY 186.A N ILE 210.A O no hydrogen 2.947 N/A SER 188.A OG GLU 190.A OE2 no hydrogen 2.728 N/A LEU 189.A N THR 187.A OG1 no hydrogen 2.951 N/A ALA 195.A N VAL 191.A O no hydrogen 3.218 N/A SER 196.A N GLU 192.A OE1 no hydrogen 3.300 N/A SER 196.A OG GLU 192.A OE1 no hydrogen 2.765 N/A SER 196.A OG PRO 193.A O no hydrogen 3.165 N/A THR 198.A N ALA 195.A O no hydrogen 3.284 N/A THR 198.A OG1 ALA 195.A O no hydrogen 2.863 N/A GLU 199.A N SER 196.A O no hydrogen 2.810 N/A ALA 200.A N LEU 197.A O no hydrogen 2.971 N/A ARG 202.A NH2 ALA 179.A O no hydrogen 2.977 N/A VAL 205.A N ARG 202.A O no hydrogen 2.871 N/A ARG 207.A NE ASP 226.A OD1 no hydrogen 2.999 N/A ARG 207.A NH1 THR 198.A O no hydrogen 3.124 N/A ARG 207.A NH1 GLU 199.A OE1 no hydrogen 3.176 N/A ARG 207.A NH2 HIS 221.A O no hydrogen 3.257 N/A ARG 207.A NH2 ASP 226.A OD2 no hydrogen 2.909 N/A LEU 208.A N LEU 182.A O no hydrogen 2.785 N/A LEU 209.A N VAL 227.A O no hydrogen 2.933 N/A ILE 210.A N ILE 184.A O no hydrogen 2.841 N/A ASN 211.A N GLN 229.A O no hydrogen 3.357 N/A ASN 211.A ND2 ASP 213.A O no hydrogen 2.935 N/A TRP 220.A N GLY 216.A O no hydrogen 2.943 N/A HIS 221.A N PRO 217.A O no hydrogen 2.964 N/A HIS 221.A ND1 GLU 199.A OE2 no hydrogen 2.991 N/A ARG 223.A N ASP 226.A OD2 no hydrogen 3.230 N/A ARG 223.A NH1 VAL 201.A O no hydrogen 2.943 N/A ARG 223.A NH2 GLU 199.A O no hydrogen 2.871 N/A ARG 225.A NH1 SER 204.A O no hydrogen 2.798 N/A ASP 226.A N ARG 223.A O no hydrogen 3.375 N/A VAL 227.A N ARG 207.A O no hydrogen 2.857 N/A GLN 229.A N LEU 209.A O no hydrogen 2.810 N/A GLY 231.A N ASN 211.A O no hydrogen 2.964 N/A GLY 231.A N ARG 212.A O no hydrogen 2.998 N/A HIS 235.A N ASP 232.A OD2 no hydrogen 3.021 N/A GLY 236.A N ASP 232.A O no hydrogen 2.779 N/A VAL 237.A N VAL 233.A O no hydrogen 2.817 N/A GLU 238.A N VAL 234.A O no hydrogen 2.867 N/A SER 239.A N HIS 235.A O no hydrogen 2.816 N/A SER 239.A OG HIS 235.A O no hydrogen 2.979 N/A LEU 240.A N GLY 236.A O no hydrogen 3.005 N/A VAL 241.A N VAL 237.A O no hydrogen 2.804 N/A GLU 242.A N GLU 238.A O no hydrogen 2.946 N/A LEU 243.A N SER 239.A O no hydrogen 2.829 N/A LEU 244.A N LEU 240.A O no hydrogen 2.862 N/A LEU 244.A N VAL 241.A O no hydrogen 3.062 N/A GLY 245.A N GLU 242.A O no hydrogen 3.109 N/A TRP 246.A N VAL 241.A O no hydrogen 2.987 N/A GLU 249.A N GLU 249.A OE1 no hydrogen 2.943 N/A MET 250.A N TRP 246.A O no hydrogen 2.779 N/A ARG 251.A N THR 247.A O no hydrogen 3.123 N/A ASP 252.A N GLU 248.A O no hydrogen 2.865 N/A LEU 253.A N GLU 249.A O no hydrogen 2.927 N/A VAL 254.A N MET 250.A O no hydrogen 2.892 N/A GLN 255.A N ARG 251.A O no hydrogen 3.075 N/A ARG 256.A N ASP 252.A O no hydrogen 3.017 N/A GLU 257.A N LEU 253.A O no hydrogen 2.862 N/A THR 258.A N VAL 254.A O no hydrogen 2.883 N/A THR 258.A OG1 VAL 254.A O no hydrogen 2.930 N/A GLY 259.A N GLN 255.A O no hydrogen 2.993 N/A