Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1aua_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 6.A N GLN 2.A O no hydrogen 3.089 N/A LEU 7.A N GLU 3.A O no hydrogen 2.896 N/A GLU 8.A N LYS 4.A O no hydrogen 3.311 N/A SER 9.A N PHE 6.A O no hydrogen 2.999 N/A SER 9.A OG PHE 6.A O no hydrogen 2.630 N/A CYS 14.A N PRO 23.A O no hydrogen 2.948 N/A ALA 18.A N PRO 15.A O no hydrogen 3.015 N/A THR 22.A OG1 LEU 19.A O no hydrogen 2.661 N/A ASN 25.A N THR 22.A O no hydrogen 2.910 N/A ASN 25.A ND2 PRO 15.A O no hydrogen 3.036 N/A LYS 32.A N ALA 29.A O no hydrogen 3.176 N/A LYS 32.A NZ ASP 27.A O no hydrogen 2.810 N/A LYS 32.A NZ GLU 31.A OE1 no hydrogen 3.079 N/A ALA 33.A N ALA 29.A O no hydrogen 3.288 N/A LEU 34.A N GLN 30.A O no hydrogen 2.848 N/A ALA 35.A N GLU 31.A O no hydrogen 2.841 N/A GLU 36.A N LEU 34.A O no hydrogen 2.701 N/A LEU 37.A N ALA 33.A O no hydrogen 3.428 N/A LEU 37.A N LEU 34.A O no hydrogen 3.076 N/A ARG 38.A N LEU 34.A O no hydrogen 3.405 N/A ARG 38.A NE LEU 50.A O no hydrogen 3.318 N/A LEU 40.A N GLU 36.A O no hydrogen 3.123 N/A LEU 41.A N LEU 37.A O no hydrogen 3.219 N/A GLU 42.A N ARG 38.A O no hydrogen 2.985 N/A GLU 42.A N LYS 39.A O no hydrogen 3.069 N/A ASP 43.A N LYS 39.A O no hydrogen 3.082 N/A ALA 44.A N LEU 40.A O no hydrogen 3.033 N/A GLY 45.A N GLU 42.A O no hydrogen 3.447 N/A PHE 46.A N LEU 41.A O no hydrogen 2.989 N/A ARG 49.A N GLU 3.A OE2 no hydrogen 3.292 N/A ARG 49.A NE GLU 77.A OE1 no hydrogen 3.419 N/A ARG 49.A NE GLU 77.A OE2 no hydrogen 2.764 N/A ARG 49.A NH1 ASP 86.A OD1 no hydrogen 3.513 N/A ARG 49.A NH2 GLU 77.A OE1 no hydrogen 2.685 N/A SER 53.A OG GLU 168.A OE2 no hydrogen 2.711 N/A THR 54.A N ASP 51.A OD2 no hydrogen 3.212 N/A THR 54.A OG1 ASP 51.A OD1 no hydrogen 2.954 N/A THR 54.A OG1 ASP 51.A OD2 no hydrogen 3.182 N/A LEU 55.A N ASP 51.A O no hydrogen 3.294 N/A LEU 56.A N ASP 52.A O no hydrogen 3.031 N/A ARG 57.A N SER 53.A O no hydrogen 3.226 N/A ARG 57.A N THR 54.A O no hydrogen 2.953 N/A ARG 57.A NE PRO 203.A O no hydrogen 3.087 N/A PHE 58.A N THR 54.A O no hydrogen 3.196 N/A LEU 59.A N LEU 55.A O no hydrogen 2.762 N/A ARG 60.A N LEU 56.A O no hydrogen 2.861 N/A ARG 60.A NE GLY 21.A O no hydrogen 3.181 N/A ARG 60.A NH2 GLU 168.A OE1 no hydrogen 3.152 N/A ALA 61.A N ARG 57.A O no hydrogen 3.082 N/A ARG 62.A NH1 ALA 61.A O no hydrogen 3.388 N/A PHE 64.A N LEU 59.A O no hydrogen 2.603 N/A ASP 65.A N ARG 62.A O no hydrogen 2.938 N/A LEU 68.A N ASP 65.A OD2 no hydrogen 3.003 N/A ALA 69.A N ASP 65.A O no hydrogen 3.051 N/A LYS 70.A N VAL 66.A O no hydrogen 3.341 N/A LYS 70.A N GLN 67.A O no hydrogen 3.273 N/A GLU 71.A N GLN 67.A O no hydrogen 3.395 N/A MET 72.A N LEU 68.A O no hydrogen 2.938 N/A PHE 73.A N ALA 69.A O no hydrogen 2.806 N/A GLU 74.A N LYS 70.A O no hydrogen 2.841 N/A ASN 75.A N GLU 71.A O no hydrogen 2.961 N/A CYS 76.A N MET 72.A O no hydrogen 3.166 N/A CYS 76.A N PHE 73.A O no hydrogen 3.239 N/A CYS 76.A SG TYR 201.A O no hydrogen 3.855 N/A GLU 77.A N PHE 73.A O no hydrogen 3.051 N/A LYS 78.A N GLU 74.A O no hydrogen 2.765 N/A LYS 78.A NZ ASP 82.A OD2 no hydrogen 2.949 N/A TRP 79.A N ASN 75.A O no hydrogen 3.144 N/A ARG 80.A N CYS 76.A O no hydrogen 3.064 N/A ARG 80.A NE ASP 86.A OD1 no hydrogen 3.379 N/A ARG 80.A NH1 GLU 149.A OE2 no hydrogen 2.852 N/A ARG 80.A NH2 ASP 86.A OD1 no hydrogen 3.369 N/A ARG 80.A NH2 GLU 149.A OE1 no hydrogen 3.374 N/A LYS 81.A N LYS 78.A O no hydrogen 3.238 N/A LYS 81.A NZ ASP 86.A OD2 no hydrogen 3.296 N/A ASP 82.A N LYS 78.A O no hydrogen 3.225 N/A TYR 83.A N TRP 79.A O no hydrogen 2.959 N/A GLY 84.A N ARG 80.A O no hydrogen 3.173 N/A THR 85.A N ARG 80.A O no hydrogen 3.158 N/A THR 87.A OG1 GLY 84.A O no hydrogen 3.484 N/A THR 87.A OG1 ASP 91.A OD2 no hydrogen 3.076 N/A ILE 88.A N THR 85.A O no hydrogen 2.838 N/A GLN 90.A N THR 87.A O no hydrogen 3.342 N/A ASP 91.A N THR 87.A O no hydrogen 2.826 N/A PHE 92.A N ILE 88.A O no hydrogen 3.263 N/A GLU 96.A N GLU 96.A OE1 no hydrogen 2.807 N/A LYS 97.A N TYR 94.A O no hydrogen 2.923 N/A LEU 99.A N GLU 96.A O no hydrogen 2.880 N/A ILE 100.A N GLU 96.A O no hydrogen 3.078 N/A ALA 101.A N LYS 97.A O no hydrogen 2.796 N/A PHE 103.A N ILE 100.A O no hydrogen 2.899 N/A TYR 104.A N ALA 101.A O no hydrogen 3.253 N/A TYR 104.A OH GLU 121.A OE2 no hydrogen 2.850 N/A TYR 107.A N PHE 120.A O no hydrogen 3.138 N/A TYR 107.A OH GLU 122.A OE2 no hydrogen 3.243 N/A HIS 109.A N VAL 118.A O no hydrogen 2.945 N/A HIS 109.A NE2 SER 265.A OG no hydrogen 2.655 N/A LYS 110.A N ILE 279.A O no hydrogen 2.823 N/A LYS 110.A NZ GLU 255.A O no hydrogen 3.195 N/A LYS 110.A NZ SER 265.A OG no hydrogen 2.969 N/A ASP 112.A N ARG 116.A O no hydrogen 2.987 N/A LYS 113.A N GLN 251.A O no hydrogen 2.774 N/A LYS 113.A NZ ASP 114.A OD1 no hydrogen 2.841 N/A ASP 114.A N ASP 112.A OD1 no hydrogen 3.280 N/A GLY 115.A N ASP 112.A O no hydrogen 3.125 N/A ARG 116.A N ASP 112.A OD1 no hydrogen 2.807 N/A ARG 116.A NE THR 169.A OG1 no hydrogen 2.909 N/A ARG 116.A NH1 ASP 112.A OD2 no hydrogen 3.077 N/A ARG 116.A NH1 ASP 114.A OD2 no hydrogen 2.823 N/A VAL 118.A N LYS 110.A O no hydrogen 2.893 N/A TYR 119.A N CYS 171.A O no hydrogen 2.667 N/A TYR 119.A OH GLU 121.A OE1 no hydrogen 2.694 N/A PHE 120.A N TYR 107.A O no hydrogen 2.836 N/A GLU 121.A N ILE 173.A O no hydrogen 2.811 N/A GLY 124.A N ASP 175.A O no hydrogen 2.828 N/A ALA 125.A N GLU 122.A O no hydrogen 3.240 N/A VAL 126.A N LEU 123.A O no hydrogen 3.134 N/A ASN 127.A N PHE 103.A O no hydrogen 2.787 N/A GLU 130.A N ASN 127.A OD1 no hydrogen 3.309 N/A MET 131.A N ASN 127.A O no hydrogen 3.135 N/A ASN 132.A N LEU 128.A O no hydrogen 2.715 N/A LYS 133.A NZ GLU 130.A OE1 no hydrogen 3.408 N/A LYS 133.A NZ GLU 130.A OE2 no hydrogen 2.901 N/A VAL 134.A N MET 131.A O no hydrogen 3.116 N/A THR 135.A N MET 131.A O no hydrogen 3.062 N/A THR 135.A OG1 MET 131.A O no hydrogen 3.520 N/A ARG 139.A NE GLU 96.A OE2 no hydrogen 2.574 N/A ARG 139.A NH2 GLU 96.A OE1 no hydrogen 2.839 N/A ARG 139.A NH2 GLU 96.A OE2 no hydrogen 3.310 N/A MET 140.A N SER 136.A O no hydrogen 3.094 N/A LEU 141.A N GLU 137.A O no hydrogen 3.065 N/A LYS 142.A N GLU 138.A O no hydrogen 3.095 N/A ASN 143.A N ARG 139.A O no hydrogen 2.899 N/A LEU 144.A N MET 140.A O no hydrogen 3.037 N/A VAL 145.A N LEU 141.A O no hydrogen 3.135 N/A TRP 146.A N LYS 142.A O no hydrogen 2.931 N/A GLU 147.A N ASN 143.A O no hydrogen 2.912 N/A TYR 148.A N LEU 144.A O no hydrogen 3.084 N/A GLU 149.A N VAL 145.A O no hydrogen 2.931 N/A SER 150.A N TRP 146.A O no hydrogen 3.200 N/A SER 150.A N GLU 147.A O no hydrogen 3.042 N/A SER 150.A OG TRP 146.A O no hydrogen 3.300 N/A VAL 151.A N GLU 147.A O no hydrogen 2.959 N/A VAL 152.A N TYR 148.A O no hydrogen 3.224 N/A GLN 153.A N GLU 149.A O no hydrogen 3.197 N/A TYR 154.A N SER 150.A O no hydrogen 3.007 N/A ARG 155.A N SER 150.A O no hydrogen 2.830 N/A ARG 155.A NE ASP 278.A OD1 no hydrogen 3.394 N/A ARG 155.A NH1 GLU 147.A OE1 no hydrogen 3.027 N/A ARG 155.A NH2 GLU 147.A OE1 no hydrogen 2.690 N/A ARG 155.A NH2 ASP 278.A OD1 no hydrogen 2.981 N/A ARG 155.A NH2 ASP 278.A OD2 no hydrogen 3.464 N/A LEU 156.A N VAL 151.A O no hydrogen 2.588 N/A ALA 158.A N TYR 154.A O no hydrogen 3.225 N/A CYS 159.A N ARG 155.A O no hydrogen 2.926 N/A CYS 159.A SG ARG 155.A O no hydrogen 3.262 N/A SER 160.A N LEU 156.A O no hydrogen 2.903 N/A SER 160.A OG LEU 156.A O no hydrogen 2.561 N/A SER 160.A OG LEU 166.A O no hydrogen 2.468 N/A ARG 161.A N PRO 157.A O no hydrogen 3.224 N/A ARG 161.A NE SER 9.A O no hydrogen 2.950 N/A ARG 161.A NH1 TYR 287.A O no hydrogen 2.950 N/A ARG 161.A NH1 GLU 291.A OE2 no hydrogen 2.851 N/A ARG 161.A NH2 SER 9.A OG no hydrogen 2.820 N/A ARG 161.A NH2 GLU 291.A OE2 no hydrogen 2.814 N/A ALA 162.A N ALA 158.A O no hydrogen 3.098 N/A ALA 163.A N CYS 159.A O no hydrogen 2.898 N/A LEU 166.A N ASN 13.A O no hydrogen 3.269 N/A SER 170.A N ARG 205.A O no hydrogen 2.987 N/A CYS 171.A N PRO 117.A O no hydrogen 2.860 N/A THR 172.A N LYS 208.A O no hydrogen 3.170 N/A ILE 173.A N TYR 119.A O no hydrogen 2.671 N/A MET 174.A N TYR 210.A O no hydrogen 2.823 N/A ASP 175.A N GLU 121.A O no hydrogen 2.881 N/A LEU 176.A N ILE 212.A O no hydrogen 3.102 N/A LYS 177.A N ASP 175.A OD1 no hydrogen 3.368 N/A ILE 179.A N LEU 176.A O no hydrogen 3.012 N/A SER 180.A N SER 183.A OG no hydrogen 3.313 N/A SER 180.A OG SER 183.A OG no hydrogen 2.887 N/A SER 183.A N SER 180.A OG no hydrogen 2.939 N/A SER 183.A OG SER 180.A O no hydrogen 3.513 N/A SER 183.A OG SER 180.A OG no hydrogen 2.887 N/A ALA 184.A N SER 180.A O no hydrogen 2.946 N/A TYR 185.A N ILE 181.A O no hydrogen 2.958 N/A SER 186.A N SER 182.A O no hydrogen 2.996 N/A SER 186.A OG SER 183.A O no hydrogen 2.739 N/A VAL 187.A N SER 183.A O no hydrogen 3.106 N/A SER 189.A OG GLU 137.A OE1 no hydrogen 3.139 N/A VAL 191.A N VAL 187.A O no hydrogen 2.982 N/A ARG 192.A N MET 188.A O no hydrogen 2.813 N/A GLU 193.A N SER 189.A O no hydrogen 2.904 N/A ALA 194.A N TYR 190.A O no hydrogen 2.780 N/A SER 195.A N VAL 191.A O no hydrogen 2.895 N/A SER 195.A OG VAL 191.A O no hydrogen 3.100 N/A TYR 196.A N ARG 192.A O no hydrogen 3.160 N/A ILE 197.A N GLU 193.A O no hydrogen 3.089 N/A SER 198.A N ALA 194.A O no hydrogen 3.233 N/A SER 198.A OG ALA 194.A O no hydrogen 2.966 N/A GLN 199.A N SER 195.A O no hydrogen 3.365 N/A TYR 201.A N ILE 197.A O no hydrogen 3.101 N/A TYR 202.A N SER 198.A O no hydrogen 2.673 N/A TYR 202.A OH GLU 149.A OE2 no hydrogen 2.821 N/A ARG 205.A NH1 GLU 168.A O no hydrogen 2.724 N/A GLY 207.A N SER 170.A O no hydrogen 3.214 N/A LYS 208.A NZ SER 235.A O no hydrogen 3.429 N/A PHE 209.A N LYS 236.A O no hydrogen 2.694 N/A TYR 210.A N THR 172.A O no hydrogen 2.973 N/A ILE 211.A N PHE 238.A O no hydrogen 2.868 N/A ILE 212.A N MET 174.A O no hydrogen 2.917 N/A ASN 213.A N GLY 241.A O no hydrogen 2.985 N/A ASN 213.A ND2 ASP 175.A OD1 no hydrogen 2.903 N/A ALA 214.A N LEU 240.A O no hydrogen 3.330 N/A SER 219.A N PRO 215.A O no hydrogen 2.872 N/A THR 220.A N PHE 216.A O no hydrogen 2.826 N/A THR 220.A OG1 PHE 216.A O no hydrogen 2.655 N/A ALA 221.A N GLY 217.A O no hydrogen 3.177 N/A ARG 223.A N SER 219.A O no hydrogen 3.361 N/A LEU 224.A N THR 220.A O no hydrogen 3.249 N/A LEU 224.A N ALA 221.A O no hydrogen 3.206 N/A PHE 225.A N ALA 221.A O no hydrogen 3.129 N/A PHE 225.A N PHE 222.A O no hydrogen 3.245 N/A PHE 228.A N PHE 225.A O no hydrogen 3.001 N/A LEU 229.A N PHE 225.A O no hydrogen 3.237 N/A LEU 229.A N LYS 226.A O no hydrogen 3.346 N/A THR 233.A N ASP 230.A O no hydrogen 2.951 N/A THR 233.A OG1 ASP 230.A OD1 no hydrogen 3.493 N/A THR 233.A OG1 ASP 230.A OD2 no hydrogen 3.143 N/A VAL 234.A N ASP 230.A O no hydrogen 3.282 N/A SER 235.A OG VAL 232.A O no hydrogen 2.672 N/A LYS 236.A N THR 233.A O no hydrogen 3.322 N/A LYS 236.A NZ GLU 204.A OE1 no hydrogen 3.428 N/A ILE 237.A N THR 233.A O no hydrogen 3.047 N/A PHE 238.A N PHE 209.A O no hydrogen 2.788 N/A LEU 240.A N ILE 211.A O no hydrogen 3.013 N/A LEU 248.A N TYR 244.A O no hydrogen 2.971 N/A LEU 249.A N GLN 245.A O no hydrogen 2.799 N/A LYS 250.A N GLU 247.A O no hydrogen 3.184 N/A LYS 250.A NZ GLU 247.A OE2 no hydrogen 2.757 N/A GLN 251.A N LEU 248.A O no hydrogen 2.713 N/A GLN 251.A NE2 ASP 112.A OD2 no hydrogen 2.725 N/A GLN 251.A NE2 ASP 114.A OD2 no hydrogen 2.818 N/A ILE 252.A N LEU 248.A O no hydrogen 2.815 N/A GLU 255.A N GLU 255.A OE1 no hydrogen 2.654 N/A VAL 259.A N SER 265.A O no hydrogen 3.233 N/A LYS 260.A NZ GLU 122.A OE1 no hydrogen 3.538 N/A LYS 260.A NZ GLU 122.A OE2 no hydrogen 2.739 N/A PHE 261.A N PRO 258.A O no hydrogen 2.942 N/A GLY 262.A N VAL 259.A O no hydrogen 3.022 N/A GLY 263.A N PRO 258.A O no hydrogen 3.224 N/A LYS 264.A N ALA 254.A O no hydrogen 2.702 N/A SER 265.A N LEU 257.A O no hydrogen 3.083 N/A SER 265.A OG HIS 109.A NE2 no hydrogen 2.655 N/A SER 270.A N ASP 268.A OD1 no hydrogen 3.507 N/A SER 270.A OG ASP 268.A OD1 no hydrogen 3.115 N/A SER 270.A OG ASP 268.A OD2 no hydrogen 2.609 N/A LYS 271.A N ASP 268.A O no hydrogen 3.373 N/A TYR 275.A N GLY 273.A O no hydrogen 2.742 N/A SER 277.A N LEU 274.A O no hydrogen 3.054 N/A SER 277.A OG LEU 274.A O no hydrogen 2.880 N/A TRP 282.A NE1 ASP 278.A OD1 no hydrogen 3.162 N/A TRP 282.A NE1 ASP 278.A OD2 no hydrogen 3.031 N/A ARG 283.A N GLY 280.A O no hydrogen 2.888 N/A ARG 283.A NE GLU 293.A OE2 no hydrogen 3.116 N/A ARG 283.A NH2 GLU 293.A OE2 no hydrogen 3.241 N/A ASP 284.A N PRO 281.A O no hydrogen 3.152 N/A LYS 286.A N ASP 284.A OD1 no hydrogen 3.297 N/A TYR 287.A N ASP 284.A O no hydrogen 2.853 N/A GLY 289.A N GLU 291.A OE2 no hydrogen 2.869 N/A GLY 292.A N GLY 289.A O no hydrogen 3.157 N/A