Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4rup_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A N GLN 7.A OE1 no hydrogen 3.440 N/A GLN 7.A N SER 4.A O no hydrogen 2.922 N/A MET 8.A N SER 4.A O no hydrogen 2.830 N/A ILE 10.A N GLU 6.A O no hydrogen 3.187 N/A ILE 11.A N GLN 7.A O no hydrogen 3.165 N/A ASN 12.A N MET 8.A O no hydrogen 2.937 N/A SER 13.A N GLN 9.A O no hydrogen 2.979 N/A SER 13.A OG GLN 9.A O no hydrogen 3.426 N/A LEU 14.A N ILE 10.A O no hydrogen 3.007 N/A VAL 15.A N ILE 11.A O no hydrogen 2.999 N/A GLU 16.A N ASN 12.A O no hydrogen 3.223 N/A ALA 17.A N SER 13.A O no hydrogen 2.806 N/A HIS 18.A N LEU 14.A O no hydrogen 3.021 N/A HIS 19.A N VAL 15.A O no hydrogen 3.124 N/A HIS 19.A NE2 GLU 142.A OE2 no hydrogen 2.606 N/A LYS 20.A N GLU 16.A O no hydrogen 2.789 N/A THR 21.A N HIS 18.A O no hydrogen 3.102 N/A THR 21.A OG1 ALA 17.A O no hydrogen 2.795 N/A THR 21.A OG1 HIS 18.A O no hydrogen 3.458 N/A TYR 22.A OH TYR 26.A OH no hydrogen 2.800 N/A SER 25.A N ASP 23.A OD1 no hydrogen 2.718 N/A SER 25.A OG ASP 23.A OD1 no hydrogen 2.674 N/A SER 25.A OG ASP 23.A OD2 no hydrogen 2.734 N/A TYR 26.A OH TYR 22.A OH no hydrogen 2.800 N/A SER 27.A N ASP 23.A OD2 no hydrogen 2.865 N/A SER 27.A OG ASP 23.A OD2 no hydrogen 3.042 N/A PHE 29.A N TYR 26.A O no hydrogen 3.144 N/A ARG 31.A N ASP 28.A O no hydrogen 2.816 N/A ARG 31.A NH1 ARG 31.A O no hydrogen 3.135 N/A PHE 32.A N PHE 29.A O no hydrogen 2.962 N/A ARG 33.A N ASP 47.A OD2 no hydrogen 2.628 N/A ARG 33.A NE ASP 47.A OD1 no hydrogen 3.109 N/A ARG 33.A NE ASP 47.A OD2 no hydrogen 3.019 N/A ARG 33.A NH1 GLN 226.A O no hydrogen 2.877 N/A ARG 33.A NH2 ASP 47.A OD1 no hydrogen 2.757 N/A ARG 33.A NH2 GLN 226.A O no hydrogen 2.877 N/A ARG 37.A NE ASP 114.A OD1 no hydrogen 3.533 N/A ARG 37.A NE ASP 114.A OD2 no hydrogen 2.924 N/A ARG 37.A NH1 ASP 107.A O no hydrogen 2.979 N/A ARG 37.A NH2 ASP 107.A O no hydrogen 2.792 N/A ARG 37.A NH2 LYS 109.A O no hydrogen 3.269 N/A ARG 37.A NH2 ASP 114.A OD2 no hydrogen 2.834 N/A SER 40.A OG VAL 36.A O no hydrogen 2.741 N/A MET 41.A N LYS 117.A O no hydrogen 2.901 N/A LEU 42.A N LEU 39.A O no hydrogen 3.249 N/A HIS 44.A ND1 ARG 33.A O no hydrogen 2.820 N/A HIS 44.A NE2 TYR 110.A OH no hydrogen 2.651 N/A LEU 45.A N MET 41.A O no hydrogen 2.958 N/A ALA 46.A N LEU 42.A O no hydrogen 2.814 N/A ASP 47.A N PRO 43.A O no hydrogen 2.986 N/A LEU 48.A N HIS 44.A O no hydrogen 2.692 N/A VAL 49.A N LEU 45.A O no hydrogen 2.709 N/A SER 50.A N ALA 46.A O no hydrogen 2.816 N/A SER 50.A OG THR 228.A OG1 no hydrogen 2.904 N/A TYR 51.A N ASP 47.A O no hydrogen 2.935 N/A TYR 51.A OH ASP 28.A OD2 no hydrogen 2.642 N/A SER 52.A N LEU 48.A O no hydrogen 2.973 N/A SER 52.A OG LEU 48.A O no hydrogen 2.882 N/A ILE 53.A N VAL 49.A O no hydrogen 2.871 N/A GLN 54.A N SER 50.A O no hydrogen 3.286 N/A GLN 54.A NE2 SER 50.A O no hydrogen 3.468 N/A LYS 55.A N TYR 51.A O no hydrogen 3.147 N/A VAL 56.A N SER 52.A O no hydrogen 2.676 N/A ILE 57.A N ILE 53.A O no hydrogen 2.800 N/A GLY 58.A N GLN 54.A O no hydrogen 2.957 N/A PHE 59.A N LYS 55.A O no hydrogen 2.920 N/A ALA 60.A N VAL 56.A O no hydrogen 2.965 N/A LYS 61.A N ILE 57.A O no hydrogen 2.992 N/A MET 62.A N PHE 59.A O no hydrogen 2.925 N/A ILE 63.A N ALA 60.A O no hydrogen 2.813 N/A PHE 66.A N ILE 63.A O no hydrogen 3.136 N/A LEU 69.A N PHE 66.A O no hydrogen 3.027 N/A ASP 73.A N THR 70.A OG1 no hydrogen 2.937 N/A GLN 74.A N THR 70.A O no hydrogen 2.990 N/A GLN 74.A NE2 LEU 69.A O no hydrogen 2.914 N/A ILE 75.A N ALA 71.A O no hydrogen 3.105 N/A ALA 76.A N GLU 72.A O no hydrogen 2.958 N/A LEU 77.A N ASP 73.A O no hydrogen 2.718 N/A LEU 78.A N GLN 74.A O no hydrogen 3.010 N/A LYS 79.A N ILE 75.A O no hydrogen 2.855 N/A LYS 79.A NZ GLY 236.A O no hydrogen 3.028 N/A SER 80.A N ALA 76.A O no hydrogen 3.389 N/A SER 80.A OG ALA 76.A O no hydrogen 3.134 N/A SER 80.A OG PRO 159.A O no hydrogen 3.417 N/A SER 81.A N LEU 77.A O no hydrogen 2.869 N/A SER 81.A OG LEU 77.A O no hydrogen 2.599 N/A ILE 85.A N SER 81.A O no hydrogen 2.931 N/A ILE 86.A N ALA 82.A O no hydrogen 3.140 N/A MET 87.A N ILE 83.A O no hydrogen 2.958 N/A LEU 88.A N GLU 84.A O no hydrogen 2.894 N/A ARG 89.A N ILE 85.A O no hydrogen 2.965 N/A ARG 89.A NH2 THR 21.A O no hydrogen 2.769 N/A SER 90.A N ILE 86.A O no hydrogen 3.070 N/A SER 90.A OG ILE 86.A O no hydrogen 3.213 N/A SER 90.A OG MET 87.A O no hydrogen 2.700 N/A ASN 91.A N LEU 88.A O no hydrogen 3.276 N/A ASN 91.A ND2 GLN 132.A O no hydrogen 2.879 N/A ASN 91.A ND2 GLN 132.A OE1 no hydrogen 3.265 N/A GLN 92.A N ARG 89.A O no hydrogen 3.413 N/A SER 93.A N SER 90.A O no hydrogen 2.975 N/A SER 93.A OG SER 90.A O no hydrogen 2.726 N/A PHE 94.A N SER 90.A O no hydrogen 3.051 N/A SER 95.A N SER 100.A O no hydrogen 2.932 N/A TRP 101.A N TYR 110.A O no hydrogen 2.905 N/A SER 102.A N SER 93.A O no hydrogen 2.777 N/A CYS 103.A N PHE 108.A O no hydrogen 3.292 N/A PHE 108.A N GLY 105.A O no hydrogen 3.044 N/A LYS 109.A N GLY 105.A O no hydrogen 3.269 N/A TYR 110.A N TRP 101.A O no hydrogen 2.621 N/A TYR 110.A OH HIS 44.A NE2 no hydrogen 2.651 N/A CYS 111.A SG ASP 114.A OD1 no hydrogen 3.398 N/A THR 116.A N ILE 112.A O no hydrogen 3.386 N/A LYS 117.A N ASN 113.A O no hydrogen 3.372 N/A LYS 117.A N ASP 114.A O no hydrogen 3.042 N/A ALA 118.A N VAL 115.A O no hydrogen 2.959 N/A GLY 119.A N THR 116.A O no hydrogen 3.082 N/A HIS 120.A ND1 GLN 213.A OE1 no hydrogen 3.048 N/A HIS 124.A N THR 121.A O no hydrogen 2.979 N/A HIS 124.A N THR 121.A OG1 no hydrogen 3.307 N/A LEU 125.A N LEU 122.A O no hydrogen 3.226 N/A GLU 126.A N LEU 122.A O no hydrogen 3.241 N/A VAL 129.A N LEU 125.A O no hydrogen 3.106 N/A LYS 130.A N GLU 126.A O no hydrogen 2.839 N/A PHE 131.A N PRO 127.A O no hydrogen 2.766 N/A GLN 132.A N LEU 128.A O no hydrogen 2.829 N/A GLN 132.A NE2 MET 87.A O no hydrogen 2.791 N/A VAL 133.A N VAL 129.A O no hydrogen 3.040 N/A GLY 134.A N LYS 130.A O no hydrogen 3.214 N/A LEU 135.A N PHE 131.A O no hydrogen 3.045 N/A LYS 136.A N GLN 132.A O no hydrogen 2.757 N/A LYS 136.A NZ ASN 91.A O no hydrogen 2.937 N/A LYS 136.A NZ PHE 94.A O no hydrogen 3.112 N/A LYS 137.A N VAL 133.A O no hydrogen 2.759 N/A LEU 138.A N LEU 135.A O no hydrogen 3.127 N/A LYS 139.A N LYS 136.A O no hydrogen 3.243 N/A HIS 141.A N GLU 144.A OE1 no hydrogen 2.651 N/A HIS 141.A ND1 TYR 181.A OH no hydrogen 2.739 N/A GLU 143.A N GLU 143.A OE1 no hydrogen 2.568 N/A HIS 145.A N HIS 141.A O no hydrogen 2.935 N/A HIS 145.A NE2 GLN 92.A OE1 no hydrogen 3.009 N/A VAL 146.A N GLU 142.A O no hydrogen 2.757 N/A LEU 147.A N GLU 143.A O no hydrogen 2.746 N/A LEU 148.A N GLU 144.A O no hydrogen 2.711 N/A MET 149.A N HIS 145.A O no hydrogen 3.174 N/A ALA 150.A N VAL 146.A O no hydrogen 3.248 N/A ILE 151.A N LEU 147.A O no hydrogen 2.849 N/A CYS 152.A N LEU 148.A O no hydrogen 2.862 N/A CYS 152.A SG GLU 84.A OE1 no hydrogen 3.165 N/A LEU 153.A N MET 149.A O no hydrogen 2.973 N/A LEU 154.A N ALA 150.A O no hydrogen 3.065 N/A SER 155.A N CYS 152.A O no hydrogen 3.281 N/A SER 155.A OG CYS 152.A O no hydrogen 2.662 N/A ASP 157.A N ASP 157.A OD1 no hydrogen 2.581 N/A ARG 158.A NH1 GLU 84.A OE1 no hydrogen 3.110 N/A ARG 158.A NH1 GLU 84.A OE2 no hydrogen 2.961 N/A ARG 158.A NH2 GLU 84.A OE1 no hydrogen 2.877 N/A ARG 158.A NH2 CYS 152.A O no hydrogen 2.748 N/A VAL 161.A N ARG 158.A O no hydrogen 3.404 N/A GLN 162.A N ASP 73.A OD1 no hydrogen 2.775 N/A GLN 162.A NE2 GLU 72.A OE2 no hydrogen 3.137 N/A HIS 164.A N GLN 162.A O no hydrogen 2.864 N/A ARG 166.A N ASP 163.A OD1 no hydrogen 3.506 N/A ARG 166.A NH1 GLY 65.A O no hydrogen 3.393 N/A ILE 167.A N ASP 163.A O no hydrogen 3.278 N/A GLU 168.A N HIS 164.A O no hydrogen 3.317 N/A ALA 169.A N VAL 165.A O no hydrogen 2.868 N/A LEU 170.A N ARG 166.A O no hydrogen 3.192 N/A GLN 171.A N ILE 167.A O no hydrogen 3.005 N/A GLN 171.A NE2 ILE 151.A O no hydrogen 3.156 N/A ASP 172.A N GLU 168.A O no hydrogen 3.084 N/A ARG 173.A N ALA 169.A O no hydrogen 3.161 N/A LEU 174.A N LEU 170.A O no hydrogen 3.103 N/A CYS 175.A N GLN 171.A O no hydrogen 2.780 N/A CYS 175.A SG GLN 171.A O no hydrogen 3.482 N/A ASP 176.A N ASP 172.A O no hydrogen 3.249 N/A VAL 177.A N ARG 173.A O no hydrogen 3.271 N/A LEU 178.A N LEU 174.A O no hydrogen 3.009 N/A GLN 179.A N CYS 175.A O no hydrogen 2.909 N/A ALA 180.A N ASP 176.A O no hydrogen 2.661 N/A TYR 181.A N VAL 177.A O no hydrogen 2.540 N/A TYR 181.A OH HIS 141.A ND1 no hydrogen 2.739 N/A ILE 182.A N LEU 178.A O no hydrogen 2.851 N/A ARG 183.A N GLN 179.A O no hydrogen 2.878 N/A ILE 184.A N ALA 180.A O no hydrogen 3.142 N/A ILE 184.A N TYR 181.A O no hydrogen 3.296 N/A GLN 185.A N TYR 181.A O no hydrogen 2.829 N/A HIS 186.A N ILE 182.A O no hydrogen 3.022 N/A GLY 189.A N HIS 186.A O no hydrogen 3.116 N/A LEU 192.A N GLY 189.A O no hydrogen 2.914 N/A LYS 195.A N LEU 191.A O no hydrogen 3.341 N/A MET 196.A N LEU 192.A O no hydrogen 2.821 N/A ILE 197.A N TYR 193.A O no hydrogen 3.058 N/A GLN 198.A N ALA 194.A O no hydrogen 2.982 N/A LYS 199.A N LYS 195.A O no hydrogen 3.364 N/A ASP 202.A N GLN 198.A O no hydrogen 3.068 N/A LEU 203.A N LYS 199.A O no hydrogen 2.742 N/A ARG 204.A N LEU 200.A O no hydrogen 3.099 N/A ARG 204.A NH1 ASP 157.A OD2 no hydrogen 3.061 N/A ARG 204.A NH2 ASP 157.A OD1 no hydrogen 3.503 N/A SER 205.A OG ASP 202.A O no hydrogen 3.015 N/A LEU 206.A N ASP 202.A O no hydrogen 2.990 N/A ASN 207.A N LEU 203.A O no hydrogen 2.590 N/A ASN 207.A ND2 SER 80.A O no hydrogen 2.753 N/A ASN 207.A ND2 GLU 84.A OE2 no hydrogen 3.034 N/A GLU 208.A N ARG 204.A O no hydrogen 2.786 N/A GLU 209.A N SER 205.A O no hydrogen 2.844 N/A HIS 210.A N LEU 206.A O no hydrogen 3.351 N/A SER 211.A N ASN 207.A O no hydrogen 2.967 N/A SER 211.A OG GLU 208.A O no hydrogen 3.397 N/A LYS 212.A N GLU 208.A O no hydrogen 3.167 N/A LYS 212.A N GLU 209.A O no hydrogen 3.253 N/A GLN 213.A N GLU 209.A O no hydrogen 3.140 N/A GLN 213.A NE2 THR 121.A OG1 no hydrogen 2.678 N/A TYR 214.A N HIS 210.A O no hydrogen 2.772 N/A ARG 215.A N SER 211.A O no hydrogen 3.323 N/A ARG 215.A N LYS 212.A O no hydrogen 2.912 N/A SER 216.A N LYS 212.A O no hydrogen 3.396 N/A SER 216.A OG LYS 212.A O no hydrogen 3.504 N/A SER 218.A N TYR 214.A O no hydrogen 2.811 N/A SER 218.A OG TYR 214.A O no hydrogen 3.559 N/A SER 218.A OG ARG 215.A O no hydrogen 2.939 N/A PHE 219.A N SER 216.A O no hydrogen 3.117 N/A GLN 220.A N SER 216.A O no hydrogen 3.306 N/A GLN 220.A N LEU 217.A O no hydrogen 2.897 N/A GLU 222.A N GLU 222.A OE1 no hydrogen 2.451 N/A HIS 223.A N GLN 220.A O no hydrogen 2.700 N/A SER 224.A N GLN 220.A O no hydrogen 2.772 N/A MET 225.A N PRO 221.A O no hydrogen 2.819 N/A GLN 226.A N HIS 223.A O no hydrogen 2.843 N/A LEU 227.A N SER 224.A O no hydrogen 3.096 N/A THR 228.A OG1 SER 50.A OG no hydrogen 2.904 N/A VAL 231.A N THR 228.A OG1 no hydrogen 3.226 N/A LEU 232.A N THR 228.A O no hydrogen 2.963 N/A GLU 233.A N PRO 229.A O no hydrogen 2.916 N/A VAL 234.A N LEU 230.A O no hydrogen 2.842 N/A PHE 235.A N VAL 231.A O no hydrogen 2.849 N/A