Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4u21_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N LYS 49.A O no hydrogen 2.848 N/A VAL 6.A N ASP 83.A OD2 no hydrogen 2.871 N/A VAL 7.A N LYS 51.A O no hydrogen 2.910 N/A THR 8.A N ILE 84.A O no hydrogen 2.818 N/A THR 9.A N THR 53.A O no hydrogen 3.076 N/A THR 9.A OG1 ILE 86.A O no hydrogen 2.724 N/A ILE 10.A N THR 9.A OG1 no hydrogen 2.845 N/A TYR 15.A N GLU 12.A O no hydrogen 2.839 N/A VAL 16.A N GLU 12.A O no hydrogen 3.035 N/A MET 17.A N GLU 32.A O no hydrogen 2.776 N/A LYS 19.A N ARG 30.A O no hydrogen 2.919 N/A LYS 19.A NZ GLU 29.A O no hydrogen 3.257 N/A LYS 19.A NZ GLU 29.A OE1 no hydrogen 2.722 N/A HIS 22.A N LYS 19.A O no hydrogen 2.986 N/A GLU 23.A N GLU 23.A OE1 no hydrogen 2.700 N/A MET 24.A N ASN 21.A O no hydrogen 3.098 N/A LEU 25.A N HIS 22.A O no hydrogen 3.018 N/A ASN 28.A ND2 TYR 50.A O no hydrogen 3.043 N/A ARG 30.A N GLY 27.A O no hydrogen 2.983 N/A ARG 30.A NE GLY 27.A O no hydrogen 2.835 N/A TYR 31.A N ASN 28.A O no hydrogen 3.207 N/A GLU 32.A N MET 17.A O no hydrogen 2.945 N/A TYR 34.A N PRO 14.A O no hydrogen 2.893 N/A CYS 35.A N TYR 15.A O no hydrogen 2.812 N/A ASP 37.A N GLY 33.A O no hydrogen 3.007 N/A LEU 38.A N TYR 34.A O no hydrogen 2.874 N/A ALA 39.A N CYS 35.A O no hydrogen 2.879 N/A ALA 40.A N VAL 36.A O no hydrogen 3.017 N/A GLU 41.A N ASP 37.A O no hydrogen 2.945 N/A ILE 42.A N.A LEU 38.A O no hydrogen 2.883 N/A ILE 42.A N.B LEU 38.A O no hydrogen 2.886 N/A ALA 43.A N ALA 39.A O no hydrogen 2.897 N/A LYS 44.A N ALA 40.A O no hydrogen 2.931 N/A HIS 45.A N GLU 41.A O no hydrogen 2.937 N/A CYS 46.A N ILE 42.A O.A no hydrogen 2.904 N/A CYS 46.A N ILE 42.A O.B no hydrogen 2.901 N/A CYS 46.A SG ILE 42.A O.A no hydrogen 3.370 N/A CYS 46.A SG ILE 42.A O.B no hydrogen 3.366 N/A GLY 47.A N ALA 43.A O no hydrogen 2.785 N/A PHE 48.A N ALA 43.A O no hydrogen 3.159 N/A LYS 51.A N VAL 5.A O no hydrogen 2.861 N/A LEU 52.A N ASN 28.A OD1 no hydrogen 2.814 N/A THR 53.A N VAL 7.A O no hydrogen 2.824 N/A THR 53.A OG1 VAL 7.A O no hydrogen 2.935 N/A VAL 55.A N THR 9.A O no hydrogen 2.831 N/A GLY 58.A N VAL 55.A O no hydrogen 3.190 N/A LYS 59.A N ASP 57.A OD2 no hydrogen 3.012 N/A TYR 60.A OH GLU 12.A OE2 no hydrogen 2.675 N/A ALA 62.A N ASN 71.A OD1 no hydrogen 2.846 N/A ASP 64.A N ILE 69.A O no hydrogen 3.001 N/A ASP 66.A N ASP 64.A OD1 no hydrogen 2.790 N/A THR 67.A N ASP 64.A OD1 no hydrogen 3.006 N/A LYS 68.A N ASP 64.A O no hydrogen 2.815 N/A LYS 68.A NZ ALA 65.A O no hydrogen 3.567 N/A ILE 69.A N THR 67.A OG1 no hydrogen 3.176 N/A TRP 70.A N TYR 79.A OH no hydrogen 3.015 N/A ASN 71.A N ALA 62.A O no hydrogen 2.935 N/A GLY 72.A N ASP 57.A OD1 no hydrogen 2.904 N/A MET 73.A N LYS 59.A O no hydrogen 3.097 N/A VAL 74.A N TYR 60.A O no hydrogen 3.232 N/A GLY 75.A N ASN 71.A O no hydrogen 2.917 N/A GLU 76.A N GLY 72.A O no hydrogen 2.974 N/A LEU 77.A N MET 73.A O no hydrogen 3.031 N/A VAL 78.A N VAL 74.A O no hydrogen 2.873 N/A TYR 79.A N GLY 75.A O no hydrogen 2.958 N/A GLY 80.A N LEU 77.A O no hydrogen 3.194 N/A LYS 81.A N GLU 76.A O no hydrogen 2.815 N/A LYS 81.A NZ TYR 79.A O no hydrogen 3.092 N/A ALA 82.A N GLU 76.A O no hydrogen 3.018 N/A ASP 83.A N VAL 6.A O no hydrogen 2.810 N/A ILE 84.A N VAL 6.A O no hydrogen 3.280 N/A ALA 85.A N ALA 222.A O no hydrogen 2.826 N/A ILE 86.A N THR 8.A O no hydrogen 3.184 N/A LEU 89.A N ALA 87.A O no hydrogen 2.706 N/A THR 90.A OG1 SER 141.A OG no hydrogen 3.081 N/A THR 90.A OG1 GLU 192.A OE2 no hydrogen 2.815 N/A ILE 91.A N GLY 218.A O no hydrogen 3.035 N/A ARG 95.A N THR 92.A OG1 no hydrogen 3.284 N/A ARG 95.A NE GLY 61.A O no hydrogen 3.234 N/A ARG 95.A NH1 THR 90.A O no hydrogen 2.962 N/A ARG 95.A NH2 GLY 61.A O no hydrogen 2.864 N/A GLU 96.A N THR 92.A O no hydrogen 2.834 N/A GLU 97.A N LEU 93.A O no hydrogen 3.055 N/A VAL 98.A N ARG 95.A O no hydrogen 2.894 N/A ILE 99.A N ARG 95.A O no hydrogen 2.891 N/A ASP 100.A N THR 223.A O no hydrogen 2.858 N/A SER 102.A N ILE 221.A O no hydrogen 2.838 N/A SER 102.A OG LYS 103.A O no hydrogen 2.749 N/A LYS 103.A N ASN 234.A OD1 no hydrogen 2.881 N/A PHE 105.A N TYR 219.A O no hydrogen 2.865 N/A LEU 108.A N LYS 217.A O no hydrogen 2.952 N/A GLY 109.A N SER 193.A OG no hydrogen 2.971 N/A ILE 110.A N ASP 215.A OD1 no hydrogen 2.821 N/A SER 111.A N LEU 191.A O no hydrogen 2.823 N/A SER 111.A OG LEU 191.A O no hydrogen 2.837 N/A MET 113.A N TYR 189.A O no hydrogen 2.841 N/A ILE 114.A N MET 208.A O no hydrogen 2.964 N/A LYS 115.A NZ ASP 206.A OD2 no hydrogen 3.512 N/A LYS 116.A N ASP 206.A O no hydrogen 2.858 N/A LYS 116.A NZ CYS 205.A O no hydrogen 2.841 N/A THR 118.A N LYS 115.A O no hydrogen 3.072 N/A THR 118.A OG1 LYS 115.A O no hydrogen 2.713 N/A ILE 120.A N THR 118.A O no hydrogen 2.815 N/A GLU 121.A N ASP 125.A OD1 no hydrogen 2.819 N/A ASP 125.A N SER 122.A OG no hydrogen 3.062 N/A LEU 126.A N SER 122.A O no hydrogen 3.153 N/A SER 127.A N ALA 123.A O no hydrogen 2.910 N/A SER 127.A OG GLU 124.A O no hydrogen 2.665 N/A SER 127.A OG GLU 124.A OE2 no hydrogen 3.421 N/A LYS 128.A N GLU 124.A O no hydrogen 2.976 N/A LYS 128.A N ASP 125.A O no hydrogen 3.257 N/A LYS 128.A NZ GLU 124.A OE2 no hydrogen 3.023 N/A GLN 129.A N LEU 126.A O no hydrogen 3.406 N/A GLN 129.A NE2 LEU 126.A O no hydrogen 3.035 N/A GLN 129.A NE2 ILE 132.A O no hydrogen 2.933 N/A ILE 132.A N GLN 129.A OE1 no hydrogen 2.750 N/A ALA 133.A N LYS 186.A O no hydrogen 2.922 N/A TYR 134.A N TYR 160.A OH no hydrogen 3.380 N/A GLY 135.A N ALA 188.A O no hydrogen 3.263 N/A THR 136.A OG1 LEU 137.A O no hydrogen 2.940 N/A ASP 138.A N VAL 170.A O no hydrogen 2.735 N/A SER 141.A OG THR 90.A OG1 no hydrogen 3.081 N/A LYS 143.A NZ ASP 138.A O no hydrogen 3.005 N/A GLU 144.A N GLY 140.A O no hydrogen 3.246 N/A PHE 145.A N SER 141.A O no hydrogen 2.902 N/A PHE 146.A N THR 142.A O no hydrogen 3.123 N/A ARG 147.A N LYS 143.A O no hydrogen 2.946 N/A ARG 147.A NE GLU 144.A OE1 no hydrogen 3.299 N/A ARG 147.A NE GLU 144.A OE2 no hydrogen 3.000 N/A ARG 147.A NH2 GLU 144.A OE2 no hydrogen 3.138 N/A ARG 148.A N GLU 144.A O no hydrogen 2.903 N/A SER 149.A N PHE 146.A O no hydrogen 3.427 N/A ILE 151.A N SER 149.A OG no hydrogen 3.106 N/A ASP 155.A N ILE 151.A O no hydrogen 2.829 N/A LYS 156.A N ALA 152.A O no hydrogen 2.876 N/A LYS 156.A NZ SER 127.A O no hydrogen 3.343 N/A MET 157.A N VAL 153.A O no hydrogen 2.959 N/A TRP 158.A N PHE 154.A O no hydrogen 2.898 N/A THR 159.A N ASP 155.A O no hydrogen 2.892 N/A THR 159.A OG1 ASP 155.A O no hydrogen 2.927 N/A TYR 160.A N LYS 156.A O no hydrogen 3.025 N/A MET 161.A N MET 157.A O no hydrogen 2.886 N/A ARG 162.A N TRP 158.A O no hydrogen 2.885 N/A SER 163.A N TYR 160.A O no hydrogen 3.255 N/A ALA 164.A N MET 161.A O no hydrogen 3.293 N/A PHE 169.A N SER 167.A OG no hydrogen 3.138 N/A VAL 170.A N THR 136.A O no hydrogen 3.134 N/A ARG 171.A N GLU 175.A OE1 no hydrogen 2.801 N/A THR 173.A OG1 GLU 12.A OE1 no hydrogen 2.545 N/A THR 173.A OG1 GLU 12.A OE2 no hydrogen 3.292 N/A GLU 175.A N THR 172.A OG1 no hydrogen 3.078 N/A GLY 176.A N THR 172.A O no hydrogen 3.162 N/A VAL 177.A N THR 173.A O no hydrogen 2.913 N/A ALA 178.A N ALA 174.A O no hydrogen 2.904 N/A ARG 179.A N GLU 175.A O no hydrogen 2.936 N/A ARG 179.A NH1 SER 167.A O no hydrogen 2.797 N/A ARG 179.A NH2 SER 167.A O no hydrogen 3.241 N/A VAL 180.A N GLY 176.A O no hydrogen 2.943 N/A ARG 181.A N VAL 177.A O no hydrogen 2.890 N/A ARG 181.A NE ASP 206.A OD1 no hydrogen 2.803 N/A LYS 182.A N ALA 178.A O no hydrogen 2.917 N/A SER 183.A N VAL 180.A O no hydrogen 3.481 N/A SER 183.A OG ARG 179.A O no hydrogen 2.601 N/A LYS 186.A N SER 183.A O no hydrogen 2.910 N/A LYS 186.A NZ GLU 131.A OE2 no hydrogen 3.033 N/A TYR 187.A OH VAL 168.A O no hydrogen 2.714 N/A ALA 188.A N ALA 133.A O no hydrogen 2.859 N/A TYR 189.A N MET 113.A O no hydrogen 2.989 N/A LEU 190.A N GLY 135.A O no hydrogen 2.872 N/A LEU 191.A N SER 111.A O no hydrogen 2.960 N/A SER 193.A N GLY 109.A O no hydrogen 2.765 N/A SER 193.A OG GLY 109.A O no hydrogen 3.206 N/A THR 194.A OG1 TYR 15.A OH no hydrogen 3.172 N/A THR 194.A OG1 TYR 219.A OH no hydrogen 2.767 N/A ASN 196.A N GLU 192.A O no hydrogen 3.024 N/A ASN 196.A ND2 SER 111.A OG no hydrogen 2.914 N/A ASN 196.A ND2 ILE 112.A O no hydrogen 3.010 N/A GLU 197.A N SER 193.A O no hydrogen 2.840 N/A TYR 198.A N THR 194.A O no hydrogen 3.013 N/A ILE 199.A N MET 195.A O no hydrogen 2.930 N/A GLU 200.A N ASN 196.A O no hydrogen 2.945 N/A GLN 201.A N TYR 198.A O no hydrogen 2.996 N/A ARG 202.A N ILE 199.A O no hydrogen 2.988 N/A ARG 202.A NH1 LYS 257.A O no hydrogen 3.568 N/A LYS 203.A N GLU 259.A OE2 no hydrogen 2.964 N/A CYS 205.A N ARG 202.A O no hydrogen 2.951 N/A CYS 205.A SG ARG 202.A O no hydrogen 3.864 N/A CYS 205.A SG GLU 259.A O no hydrogen 3.528 N/A MET 208.A N ILE 114.A O no hydrogen 2.953 N/A LYS 209.A N GLU 200.A OE1 no hydrogen 3.019 N/A VAL 210.A N ILE 112.A O no hydrogen 3.008 N/A LEU 214.A N ILE 110.A O no hydrogen 2.755 N/A LYS 217.A N LEU 108.A O no hydrogen 2.814 N/A LYS 217.A NZ ASP 215.A OD2 no hydrogen 2.745 N/A TYR 219.A N MET 106.A O no hydrogen 2.956 N/A TYR 219.A OH GLU 192.A OE1 no hydrogen 2.670 N/A TYR 219.A OH THR 194.A OG1 no hydrogen 2.767 N/A GLY 220.A N LEU 89.A O no hydrogen 3.035 N/A ILE 221.A N SER 102.A OG no hydrogen 2.934 N/A ALA 222.A N ALA 85.A O no hydrogen 3.153 N/A THR 223.A N ASP 100.A O no hydrogen 2.921 N/A LYS 225.A NZ GLU 97.A O no hydrogen 2.743 N/A GLY 226.A N ASP 100.A OD2 no hydrogen 2.912 N/A SER 227.A N PRO 224.A O no hydrogen 2.972 N/A LEU 229.A N SER 227.A OG no hydrogen 3.031 N/A GLY 230.A N SER 227.A O no hydrogen 3.124 N/A VAL 233.A N LEU 229.A O no hydrogen 2.981 N/A ASN 234.A N GLY 230.A O no hydrogen 2.930 N/A LEU 235.A N THR 231.A O no hydrogen 2.964 N/A ALA 236.A N PRO 232.A O no hydrogen 2.906 N/A VAL 237.A N VAL 233.A O no hydrogen 2.917 N/A LEU 238.A N ASN 234.A O no hydrogen 2.969 N/A LYS 239.A N LEU 235.A O no hydrogen 2.923 N/A LEU 240.A N ALA 236.A O no hydrogen 2.903 N/A SER 241.A N VAL 237.A O no hydrogen 2.909 N/A GLU 242.A N LEU 238.A O no hydrogen 2.937 N/A GLN 243.A N LYS 239.A O no hydrogen 2.894 N/A GLY 244.A N SER 241.A O no hydrogen 3.086 N/A VAL 245.A N LEU 240.A O no hydrogen 3.016 N/A LYS 248.A N GLY 244.A O no hydrogen 3.121 N/A LEU 249.A N VAL 245.A O no hydrogen 2.889 N/A LYS 250.A N LEU 246.A O no hydrogen 2.956 N/A LYS 250.A NZ GLU 197.A OE2 no hydrogen 3.410 N/A ASN 251.A N ASP 247.A O no hydrogen 2.944 N/A LYS 252.A N LYS 248.A O no hydrogen 2.898 N/A LYS 252.A NZ ASP 37.A OD1 no hydrogen 2.744 N/A TRP 253.A N LEU 249.A O no hydrogen 3.012 N/A TRP 253.A NE1 ASP 37.A OD1 no hydrogen 2.877 N/A TRP 254.A N LYS 250.A O no hydrogen 2.909 N/A TRP 254.A NE1 THR 194.A O no hydrogen 2.814 N/A TYR 255.A N ASN 251.A O no hydrogen 3.014 N/A ASP 256.A N ASN 251.A O no hydrogen 2.866 N/A GLY 258.A N TYR 255.A O no hydrogen 3.031 N/A GLU 259.A N GLN 201.A O no hydrogen 2.766 N/A CYS 260.A SG GLU 200.A O no hydrogen 3.383 N/A