Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1adu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N ALA 77.A O no hydrogen 2.504 N/A TRP 2.A NE1 LYS 27.A O no hydrogen 2.878 N/A LYS 4.A N ALA 1.A O no hydrogen 3.155 N/A GLY 5.A N ALA 1.A O no hydrogen 3.319 N/A MET 6.A N TRP 2.A O no hydrogen 2.998 N/A GLU 7.A N GLU 3.A O no hydrogen 3.161 N/A ALA 8.A N LYS 4.A O no hydrogen 3.471 N/A ALA 9.A N GLY 5.A O no hydrogen 2.786 N/A ARG 10.A N MET 6.A O no hydrogen 2.871 N/A ALA 11.A N GLU 7.A O no hydrogen 3.039 N/A LEU 12.A N ALA 8.A O no hydrogen 3.453 N/A MET 13.A N ALA 9.A O no hydrogen 3.080 N/A ASP 14.A N ARG 10.A O no hydrogen 2.793 N/A ASP 14.A N ALA 11.A O no hydrogen 3.042 N/A LYS 15.A N ALA 11.A O no hydrogen 2.951 N/A LYS 15.A NZ ASN 248.A OD1 no hydrogen 3.552 N/A TYR 16.A N LEU 12.A O no hydrogen 3.090 N/A TYR 16.A OH ASN 248.A OD1 no hydrogen 3.105 N/A HIS 17.A N ASP 14.A O no hydrogen 2.727 N/A HIS 17.A NE2 GLU 46.A OE1 no hydrogen 2.991 N/A VAL 18.A N MET 13.A O no hydrogen 2.925 N/A ASP 21.A N ASP 19.A OD2 no hydrogen 3.085 N/A LYS 23.A N ASP 19.A O no hydrogen 3.064 N/A ALA 24.A N ASP 21.A O no hydrogen 3.056 N/A ASN 25.A N ASP 21.A O no hydrogen 3.435 N/A LYS 27.A N GLN 32.A OE1 no hydrogen 2.692 N/A LEU 29.A N GLN 32.A OE1 no hydrogen 2.846 N/A GLN 32.A N LEU 29.A O no hydrogen 3.032 N/A GLN 32.A NE2 ASN 25.A O no hydrogen 3.406 N/A ALA 37.A N VAL 33.A O no hydrogen 2.943 N/A ALA 38.A N GLU 34.A O no hydrogen 2.989 N/A VAL 39.A N ALA 35.A O no hydrogen 2.964 N/A CYS 40.A N LEU 36.A O no hydrogen 3.308 N/A CYS 40.A SG LEU 36.A O no hydrogen 3.293 N/A LYS 41.A N ALA 37.A O no hydrogen 3.042 N/A LYS 41.A NZ ASN 58.A OD1 no hydrogen 3.335 N/A THR 42.A N ALA 38.A O no hydrogen 3.006 N/A THR 42.A OG1 TYR 16.A O no hydrogen 3.079 N/A TRP 43.A N VAL 39.A O no hydrogen 3.109 N/A TRP 43.A NE1 GLU 247.A OE2 no hydrogen 3.094 N/A LEU 44.A N CYS 40.A O no hydrogen 2.803 N/A ASN 45.A N LYS 41.A O no hydrogen 2.920 N/A GLU 46.A N THR 42.A O no hydrogen 2.898 N/A HIS 48.A N LEU 44.A O no hydrogen 2.675 N/A GLN 52.A NE2 LEU 51.A O no hydrogen 3.407 N/A THR 56.A OG1 THR 54.A O no hydrogen 3.109 N/A THR 56.A OG1 ASP 233.A OD2 no hydrogen 2.626 N/A SER 57.A N LYS 228.A O no hydrogen 3.161 N/A SER 57.A OG THR 60.A OG1 no hydrogen 3.095 N/A THR 60.A N SER 57.A OG no hydrogen 3.189 N/A THR 60.A OG1 LYS 228.A O no hydrogen 3.058 N/A PHE 61.A N SER 57.A O no hydrogen 2.977 N/A VAL 62.A N ASN 58.A O no hydrogen 3.091 N/A THR 63.A N LYS 59.A O no hydrogen 2.978 N/A THR 63.A OG1 LYS 59.A O no hydrogen 2.898 N/A MET 64.A N THR 60.A O no hydrogen 2.834 N/A MET 65.A N PHE 61.A O no hydrogen 2.929 N/A GLY 66.A N VAL 62.A O no hydrogen 2.886 N/A ARG 67.A N THR 63.A O no hydrogen 3.052 N/A ARG 67.A NE THR 87.A O no hydrogen 3.442 N/A ARG 67.A NH2 ARG 175.A O no hydrogen 2.790 N/A PHE 68.A N MET 64.A O no hydrogen 3.014 N/A LEU 69.A N MET 65.A O no hydrogen 2.851 N/A GLN 70.A N GLY 66.A O no hydrogen 2.898 N/A GLN 70.A NE2 PRO 30.A O no hydrogen 3.237 N/A ALA 71.A N ARG 67.A O no hydrogen 2.776 N/A TYR 72.A N PHE 68.A O no hydrogen 2.992 N/A LEU 73.A N LEU 69.A O no hydrogen 2.836 N/A GLN 74.A N GLN 70.A O no hydrogen 2.855 N/A GLN 74.A NE2 VAL 79.A O no hydrogen 3.188 N/A SER 75.A N ALA 71.A O no hydrogen 2.885 N/A SER 75.A OG ALA 71.A O no hydrogen 2.820 N/A SER 75.A OG ARG 254.A O no hydrogen 3.267 N/A PHE 76.A N TYR 72.A O no hydrogen 2.802 N/A ALA 77.A N LEU 73.A O no hydrogen 2.905 N/A GLU 78.A N SER 75.A O no hydrogen 3.076 N/A VAL 79.A N GLN 74.A O no hydrogen 3.011 N/A TYR 81.A OH LEU 28.A O no hydrogen 2.982 N/A HIS 84.A NE2 GLN 70.A OE1 no hydrogen 2.863 N/A THR 87.A OG1 GLU 85.A OE1 no hydrogen 2.590 N/A THR 87.A OG1 GLU 85.A OE2 no hydrogen 3.193 N/A THR 87.A OG1 CYS 89.A O no hydrogen 3.559 N/A GLY 88.A N GLU 85.A O no hydrogen 3.285 N/A GLY 88.A N GLU 85.A OE1 no hydrogen 3.192 N/A CYS 89.A N THR 87.A OG1 no hydrogen 3.288 N/A CYS 89.A SG THR 87.A O no hydrogen 3.563 N/A ALA 90.A N MET 172.A O no hydrogen 2.925 N/A LEU 91.A N PRO 258.A O no hydrogen 2.773 N/A TRP 92.A N LEU 170.A O no hydrogen 2.849 N/A HIS 94.A N TRP 92.A O no hydrogen 2.824 N/A HIS 94.A ND1 TRP 92.A O no hydrogen 3.347 N/A CYS 96.A SG LYS 104.A O no hydrogen 3.465 N/A GLY 101.A N GLN 146.A OE1 no hydrogen 2.894 N/A GLU 102.A N ILE 99.A O no hydrogen 3.134 N/A LYS 104.A NZ GLY 108.A O no hydrogen 3.339 N/A CYS 105.A N SER 109.A O no hydrogen 3.221 N/A CYS 105.A SG HIS 107.A ND1 no hydrogen 3.415 N/A CYS 105.A SG SER 109.A O no hydrogen 3.899 N/A CYS 105.A SG SER 109.A OG no hydrogen 3.543 N/A GLY 108.A N CYS 105.A O no hydrogen 2.971 N/A ILE 112.A N CYS 118.A O no hydrogen 2.947 N/A LYS 114.A N ALA 116.A O no hydrogen 3.000 N/A LYS 114.A NZ ASP 122.A O no hydrogen 3.187 N/A LYS 114.A NZ CYS 125.A O no hydrogen 3.128 N/A ALA 116.A N LYS 114.A O no hydrogen 3.089 N/A ARG 117.A N PHE 139.A O no hydrogen 2.800 N/A ARG 117.A NE ASN 113.A OD1 no hydrogen 3.550 N/A ARG 117.A NE ALA 116.A O no hydrogen 3.223 N/A ARG 117.A NH1 GLY 101.A O no hydrogen 2.840 N/A CYS 118.A N ILE 112.A O no hydrogen 2.795 N/A CYS 118.A SG ILE 112.A O no hydrogen 3.577 N/A CYS 118.A SG CYS 119.A O no hydrogen 3.897 N/A CYS 119.A SG HIS 107.A ND1 no hydrogen 3.372 N/A ASP 122.A N CYS 119.A O no hydrogen 2.795 N/A ALA 123.A N VAL 120.A O no hydrogen 3.090 N/A CYS 125.A N ASP 122.A O no hydrogen 3.122 N/A GLN 129.A N PRO 126.A O no hydrogen 2.946 N/A SER 131.A N ASP 122.A OD1 no hydrogen 2.893 N/A SER 131.A OG HIS 121.A O no hydrogen 2.820 N/A SER 131.A OG ASP 122.A OD1 no hydrogen 3.217 N/A LYS 133.A N SER 131.A OG no hydrogen 3.185 N/A SER 134.A OG ASP 122.A OD2 no hydrogen 2.698 N/A CYS 135.A SG HIS 107.A ND1 no hydrogen 3.738 N/A GLY 136.A N SER 134.A OG no hydrogen 2.928 N/A PHE 139.A N ARG 117.A O no hydrogen 2.907 N/A GLY 142.A N ASP 115.A O no hydrogen 3.034 N/A LYS 144.A NZ GLU 141.A OE2 no hydrogen 3.217 N/A ALA 145.A N GLU 141.A O no hydrogen 3.106 N/A GLN 146.A N GLY 142.A O no hydrogen 3.143 N/A GLN 146.A NE2 CYS 96.A O no hydrogen 2.843 N/A GLN 146.A NE2 ILE 99.A O no hydrogen 3.009 N/A VAL 147.A N ALA 143.A O no hydrogen 3.049 N/A ALA 148.A N LYS 144.A O no hydrogen 3.011 N/A PHE 149.A N ALA 145.A O no hydrogen 3.273 N/A LYS 150.A N GLN 146.A O no hydrogen 2.767 N/A LYS 150.A NZ GLU 100.A OE1 no hydrogen 3.460 N/A LYS 150.A NZ GLU 100.A OE2 no hydrogen 3.387 N/A GLN 151.A N VAL 147.A O no hydrogen 2.918 N/A ILE 152.A N ALA 148.A O no hydrogen 3.457 N/A LYS 153.A N PHE 149.A O no hydrogen 3.169 N/A LYS 153.A NZ HIS 167.A O no hydrogen 3.372 N/A ALA 154.A N LYS 150.A O no hydrogen 3.096 N/A PHE 155.A N GLN 151.A O no hydrogen 2.821 N/A MET 156.A N ILE 152.A O no hydrogen 2.961 N/A GLN 157.A N LYS 153.A O no hydrogen 2.910 N/A ALA 158.A N ALA 154.A O no hydrogen 2.890 N/A LEU 159.A N PHE 155.A O no hydrogen 3.097 N/A TYR 160.A N MET 156.A O no hydrogen 3.242 N/A TYR 160.A N GLN 157.A O no hydrogen 3.131 N/A ALA 163.A N TYR 160.A O no hydrogen 3.203 N/A HIS 169.A N GLY 166.A O no hydrogen 3.299 N/A MET 172.A N ALA 90.A O no hydrogen 3.136 N/A LEU 174.A N GLY 88.A O no hydrogen 2.758 N/A ARG 175.A NH1 GLU 85.A O no hydrogen 3.149 N/A ARG 175.A NH2 GLU 85.A O no hydrogen 2.914 N/A CYS 176.A N ASN 179.A OD1 no hydrogen 2.816 N/A CYS 176.A SG ASN 179.A OD1 no hydrogen 3.328 N/A ASN 179.A N ASN 179.A OD1 no hydrogen 2.576 N/A ASN 179.A ND2 LEU 174.A O no hydrogen 3.323 N/A SER 180.A OG CYS 176.A O no hydrogen 2.757 N/A GLY 184.A N ARG 269.A O no hydrogen 2.956 N/A ARG 185.A N ASN 221.A OD1 no hydrogen 2.977 N/A ARG 185.A NE CYS 220.A O no hydrogen 3.216 N/A GLN 186.A NE2 LYS 265.A O no hydrogen 3.438 N/A LYS 189.A N CYS 219.A O no hydrogen 3.142 N/A THR 191.A N VAL 216.A O no hydrogen 2.849 N/A THR 191.A OG1 LYS 189.A O no hydrogen 3.526 N/A THR 191.A OG1 GLN 218.A OE1 no hydrogen 2.975 N/A PHE 193.A N LEU 214.A O no hydrogen 2.700 N/A LEU 195.A N PRO 212.A O no hydrogen 3.162 N/A GLU 199.A N SER 196.A O no hydrogen 3.280 N/A ASP 200.A N ASN 197.A O no hydrogen 3.329 N/A SER 204.A OG ASP 202.A OD2 no hydrogen 3.209 N/A VAL 205.A N ASP 202.A O no hydrogen 3.009 N/A LEU 206.A N ASP 202.A O no hydrogen 3.286 N/A ALA 207.A N LYS 203.A O no hydrogen 2.946 N/A SER 208.A OG GLN 151.A OE1 no hydrogen 2.918 N/A VAL 209.A N VAL 205.A O no hydrogen 3.173 N/A HIS 210.A N LEU 206.A O no hydrogen 2.792 N/A HIS 211.A N ALA 207.A O no hydrogen 2.940 N/A ALA 213.A N HIS 211.A O no hydrogen 2.693 N/A LEU 214.A N PHE 193.A O no hydrogen 2.616 N/A VAL 216.A N THR 191.A O no hydrogen 2.750 N/A PHE 217.A N ILE 229.A O no hydrogen 2.833 N/A GLN 218.A N LYS 189.A O no hydrogen 3.203 N/A CYS 219.A SG ASN 221.A O no hydrogen 3.433 N/A ASN 221.A ND2 ARG 185.A O no hydrogen 2.932 N/A ASN 224.A ND2 ASN 221.A O no hydrogen 2.804 N/A LYS 228.A N THR 60.A OG1 no hydrogen 3.414 N/A ILE 229.A N PHE 217.A O no hydrogen 3.220 N/A SER 230.A N THR 56.A OG1 no hydrogen 3.167 N/A SER 230.A OG THR 54.A O no hydrogen 2.814 N/A SER 230.A OG THR 56.A OG1 no hydrogen 3.217 N/A SER 230.A OG ASP 233.A OD2 no hydrogen 3.077 N/A ALA 231.A N ILE 215.A O no hydrogen 2.821 N/A LEU 234.A N SER 230.A O no hydrogen 3.004 N/A LEU 235.A N ALA 231.A O no hydrogen 3.111 N/A ASN 236.A N PRO 232.A O no hydrogen 2.876 N/A ALA 237.A N ASP 233.A O no hydrogen 2.744 N/A LEU 238.A N LEU 234.A O no hydrogen 3.226 N/A LEU 238.A N LEU 235.A O no hydrogen 3.001 N/A VAL 239.A N LEU 235.A O no hydrogen 2.996 N/A MET 240.A N ASN 236.A O no hydrogen 2.768 N/A ARG 242.A N LEU 238.A O no hydrogen 3.124 N/A ARG 242.A NE TYR 72.A OH no hydrogen 2.838 N/A SER 243.A N VAL 239.A O no hydrogen 3.085 N/A SER 243.A OG VAL 239.A O no hydrogen 3.285 N/A LEU 244.A N MET 240.A O no hydrogen 2.949 N/A TRP 245.A N VAL 241.A O no hydrogen 2.956 N/A TRP 245.A NE1 GLU 251.A O no hydrogen 2.885 N/A SER 246.A N ARG 242.A O no hydrogen 3.017 N/A SER 246.A OG ARG 242.A O no hydrogen 2.753 N/A GLU 247.A N SER 243.A O no hydrogen 2.793 N/A ASN 248.A N TRP 245.A O no hydrogen 2.882 N/A PHE 249.A N TRP 245.A O no hydrogen 2.630 N/A THR 250.A OG1 GLU 251.A OE1 no hydrogen 2.967 N/A PHE 260.A N LEU 91.A O no hydrogen 3.101 N/A LYS 261.A NZ GLU 259.A O no hydrogen 3.373 N/A HIS 266.A N SER 263.A O no hydrogen 3.303 N/A GLN 267.A N THR 264.A O no hydrogen 3.011 N/A GLN 267.A NE2 THR 264.A O no hydrogen 3.234 N/A TYR 268.A N SER 134.A O no hydrogen 3.107 N/A ARG 269.A N GLY 184.A O no hydrogen 3.285 N/A ASN 270.A ND2 PHE 130.A O no hydrogen 3.630 N/A ARG 281.A NE ASN 283.A O no hydrogen 3.332 N/A ARG 281.A NH2 ASN 283.A O no hydrogen 3.389 N/A ARG 281.A NH2 ASP 286.A OD1 no hydrogen 3.093 N/A