Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2au1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N ALA 222.A O no hydrogen 2.716 N/A THR 6.A N TRP 220.A O no hydrogen 2.773 N/A THR 6.A OG1 TRP 220.A O no hydrogen 2.844 N/A LYS 7.A NZ GLN 285.A OE1 no hydrogen 2.917 N/A VAL 9.A N THR 6.A O no hydrogen 3.122 N/A THR 10.A N GLN 30.A O no hydrogen 2.981 N/A ASN 14.A ND2 PRO 25.A O no hydrogen 3.146 N/A THR 16.A N HIS 23.A O no hydrogen 2.635 N/A THR 16.A OG1 ASN 14.A O no hydrogen 3.480 N/A GLY 18.A N VAL 21.A O no hydrogen 2.531 N/A HIS 23.A N THR 16.A O no hydrogen 2.834 N/A ALA 24.A N MET 246.A O no hydrogen 2.846 N/A TYR 26.A OH ASN 98.A O no hydrogen 2.905 N/A TYR 33.A OH ASP 61.A OD1 no hydrogen 2.588 N/A TYR 33.A OH ASP 61.A OD2 no hydrogen 3.012 N/A THR 36.A N GLN 100.A O no hydrogen 2.822 N/A THR 36.A OG1 ASP 34.A O no hydrogen 3.121 N/A LYS 37.A N SER 238.A O no hydrogen 2.911 N/A LYS 37.A NZ ASP 44.A O no hydrogen 2.946 N/A LYS 37.A NZ ASP 239.A OD1 no hydrogen 2.697 N/A THR 38.A N ASP 43.A OD2 no hydrogen 2.986 N/A THR 38.A OG1 ASP 43.A OD2 no hydrogen 3.356 N/A ASN 40.A N ASP 43.A OD1 no hydrogen 3.241 N/A ASN 40.A ND2 GLU 111.A OE1 no hydrogen 3.369 N/A LYS 42.A N ASN 40.A OD1 no hydrogen 3.131 N/A LYS 42.A NZ GLU 111.A OE2 no hydrogen 3.011 N/A LEU 45.A N SER 118.A OG no hydrogen 2.879 N/A LEU 46.A N ASP 43.A O no hydrogen 2.989 N/A CYS 47.A SG HIS 215.A ND1 no hydrogen 3.380 N/A ALA 50.A N LEU 46.A O no hydrogen 2.936 N/A THR 51.A N CYS 47.A O no hydrogen 2.967 N/A THR 51.A OG1 CYS 47.A O no hydrogen 2.942 N/A ALA 52.A N GLY 48.A O no hydrogen 2.940 N/A GLY 53.A N ALA 49.A O no hydrogen 2.730 N/A ASN 54.A N ALA 50.A O no hydrogen 2.846 N/A MET 55.A N THR 51.A O no hydrogen 2.889 N/A LEU 56.A N ALA 52.A O no hydrogen 3.081 N/A HIS 57.A N GLY 53.A O no hydrogen 3.028 N/A HIS 57.A N ASN 54.A O no hydrogen 3.247 N/A TRP 58.A N ASN 54.A O no hydrogen 3.321 N/A TRP 58.A NE1 LYS 7.A O no hydrogen 2.774 N/A TRP 59.A N MET 55.A O no hydrogen 3.083 N/A TRP 59.A NE1 SER 282.A O no hydrogen 3.141 N/A PHE 60.A N LEU 56.A O no hydrogen 2.920 N/A ASP 61.A N HIS 57.A O no hydrogen 3.356 N/A GLN 62.A N TRP 58.A O no hydrogen 3.161 N/A GLN 62.A NE2 TRP 58.A O no hydrogen 3.568 N/A ASN 63.A N PHE 60.A O no hydrogen 3.299 N/A ASN 63.A ND2 TRP 59.A O no hydrogen 3.069 N/A ASN 63.A ND2 THR 283.A O no hydrogen 3.093 N/A LYS 64.A N ASP 61.A O no hydrogen 3.430 N/A GLN 66.A N GLN 66.A OE1 no hydrogen 2.584 N/A ILE 67.A N ASN 63.A O no hydrogen 2.787 N/A LYS 68.A N LYS 64.A O no hydrogen 3.206 N/A ARG 69.A N ASP 65.A O no hydrogen 3.124 N/A TYR 70.A N GLN 66.A O no hydrogen 2.827 N/A TYR 70.A OH ILE 160.A O no hydrogen 2.965 N/A LEU 71.A N ILE 67.A O no hydrogen 2.999 N/A GLU 72.A N ARG 69.A O no hydrogen 3.180 N/A GLU 73.A N ARG 69.A O no hydrogen 3.037 N/A HIS 74.A N TYR 70.A O no hydrogen 2.840 N/A HIS 74.A ND1 TYR 70.A O no hydrogen 3.193 N/A LYS 77.A N HIS 74.A O no hydrogen 3.056 N/A LYS 77.A NZ GLY 159.A O no hydrogen 2.860 N/A LYS 77.A NZ ASP 162.A OD1 no hydrogen 2.746 N/A GLN 78.A N PRO 75.A O no hydrogen 3.226 N/A GLN 78.A NE2 ASP 89.A OD1 no hydrogen 3.331 N/A GLN 78.A NE2 ASP 89.A OD2 no hydrogen 3.361 N/A ILE 80.A N PHE 88.A O no hydrogen 2.893 N/A PHE 82.A N GLU 85.A O no hydrogen 2.799 N/A GLU 85.A N PHE 82.A O no hydrogen 3.269 N/A MET 87.A N ILE 80.A O no hydrogen 2.668 N/A VAL 90.A N GLN 78.A O no hydrogen 2.937 N/A LYS 91.A N ASP 89.A OD1 no hydrogen 2.733 N/A LYS 91.A NZ GLN 78.A OE1 no hydrogen 3.315 N/A GLU 92.A N ASP 89.A O no hydrogen 2.990 N/A ALA 93.A N ASP 89.A O no hydrogen 3.290 N/A ILE 94.A N VAL 90.A O no hydrogen 3.032 N/A ASP 95.A N LYS 91.A O no hydrogen 2.995 N/A THR 96.A N GLU 92.A O no hydrogen 3.067 N/A THR 96.A OG1 GLU 92.A O no hydrogen 2.705 N/A THR 96.A OG1 ALA 93.A O no hydrogen 3.375 N/A LYS 97.A NZ TYR 33.A OH no hydrogen 3.124 N/A LYS 97.A NZ ASP 61.A OD2 no hydrogen 3.214 N/A HIS 99.A N THR 96.A O no hydrogen 2.886 N/A GLN 100.A NE2 ASP 34.A OD2 no hydrogen 2.837 N/A GLN 100.A NE2 ALA 242.A O no hydrogen 2.823 N/A LYS 104.A N THR 96.A OG1 no hydrogen 2.859 N/A LYS 104.A NZ GLU 107.A OE2 no hydrogen 2.882 N/A PHE 106.A N SER 103.A OG no hydrogen 3.408 N/A GLU 107.A N SER 103.A O no hydrogen 3.323 N/A TYR 108.A N LYS 104.A O no hydrogen 3.106 N/A TYR 108.A OH ARG 157.A O no hydrogen 2.808 N/A PHE 109.A N LEU 105.A O no hydrogen 3.089 N/A LYS 110.A N PHE 106.A O no hydrogen 2.842 N/A LYS 110.A NZ THR 38.A OG1 no hydrogen 3.270 N/A LYS 110.A NZ ASP 43.A OD2 no hydrogen 2.713 N/A GLU 111.A N GLU 107.A O no hydrogen 2.849 N/A LYS 112.A N TYR 108.A O no hydrogen 2.915 N/A LYS 112.A NZ GLU 85.A OE1 no hydrogen 3.485 N/A ALA 113.A N TYR 108.A O no hydrogen 2.942 N/A PHE 114.A N PHE 109.A O no hydrogen 2.779 N/A SER 118.A OG LYS 42.A O no hydrogen 2.975 N/A THR 119.A OG1 GLY 41.A O no hydrogen 3.202 N/A LYS 120.A N LEU 117.A O no hydrogen 3.170 N/A HIS 128.A ND1 THR 147.A OG1 no hydrogen 3.275 N/A VAL 129.A N PHE 125.A O no hydrogen 3.172 N/A ILE 130.A N PRO 126.A O no hydrogen 3.153 N/A ASP 131.A N ASP 127.A O no hydrogen 2.952 N/A MET 132.A N HIS 128.A O no hydrogen 3.117 N/A PHE 133.A N VAL 129.A O no hydrogen 2.947 N/A ILE 134.A N ILE 130.A O no hydrogen 2.960 N/A GLY 136.A N ASP 131.A O no hydrogen 3.042 N/A TYR 137.A N ASP 131.A O no hydrogen 3.360 N/A LEU 139.A N ASP 155.A OD2 no hydrogen 3.226 N/A SER 140.A OG THR 142.A OG1 no hydrogen 3.390 N/A THR 142.A OG1 SER 140.A OG no hydrogen 3.390 N/A ASN 143.A ND2 GLY 145.A O no hydrogen 3.527 N/A HIS 144.A ND1 THR 142.A O no hydrogen 3.052 N/A GLY 145.A N ASN 143.A OD1 no hydrogen 2.783 N/A THR 147.A OG1 HIS 128.A ND1 no hydrogen 3.275 N/A THR 147.A OG1 ASP 131.A OD2 no hydrogen 2.586 N/A LYS 150.A N PRO 148.A O no hydrogen 2.746 N/A ASP 155.A N GLY 136.A O no hydrogen 2.621 N/A ARG 157.A N ASP 155.A OD1 no hydrogen 2.851 N/A ARG 157.A NE ASP 155.A OD1 no hydrogen 2.912 N/A ARG 157.A NE ASP 155.A OD2 no hydrogen 3.363 N/A ARG 157.A NH1 ALA 113.A O no hydrogen 3.560 N/A ARG 157.A NH2 ASP 155.A OD2 no hydrogen 2.536 N/A GLY 158.A N ASP 155.A O no hydrogen 2.891 N/A GLY 159.A N MET 132.A O no hydrogen 2.685 N/A ILE 160.A N PHE 133.A O no hydrogen 2.930 N/A PHE 161.A N ILE 134.A O no hydrogen 2.981 N/A ASP 162.A N GLY 159.A O no hydrogen 3.306 N/A ALA 163.A N TYR 70.A OH no hydrogen 3.186 N/A VAL 164.A N PHE 161.A O no hydrogen 3.077 N/A PHE 165.A N PHE 161.A O no hydrogen 2.818 N/A ARG 167.A NE GLY 152.A O no hydrogen 2.776 N/A ARG 167.A NH1 ASN 135.A O no hydrogen 2.777 N/A ARG 167.A NH1 ASP 162.A OD2 no hydrogen 3.156 N/A ARG 167.A NH2 GLY 152.A O no hydrogen 3.202 N/A GLY 168.A N TYR 137.A OH no hydrogen 2.872 N/A SER 171.A OG ASP 169.A OD1 no hydrogen 2.528 N/A SER 171.A OG ASP 169.A OD2 no hydrogen 3.560 N/A LYS 172.A N ASP 169.A O no hydrogen 2.599 N/A LYS 172.A NZ SER 171.A OG no hydrogen 3.232 N/A LEU 173.A N GLN 170.A O no hydrogen 3.281 N/A THR 175.A OG1 ASP 131.A OD1 no hydrogen 2.688 N/A THR 175.A OG1 ASP 131.A OD2 no hydrogen 2.973 N/A SER 176.A N THR 280.A O no hydrogen 3.196 N/A SER 176.A OG HIS 178.A NE2 no hydrogen 2.981 N/A SER 176.A OG THR 280.A OG1 no hydrogen 2.418 N/A ARG 177.A NE ASP 127.A OD1 no hydrogen 2.669 N/A ARG 177.A NH2 ASP 127.A OD1 no hydrogen 3.002 N/A ARG 177.A NH2 ASP 127.A OD2 no hydrogen 2.693 N/A HIS 178.A N LEU 278.A O no hydrogen 2.754 N/A PHE 180.A N LEU 276.A O no hydrogen 2.757 N/A LYS 181.A N ASP 179.A OD2 no hydrogen 2.554 N/A LYS 183.A N PHE 180.A O no hydrogen 3.269 N/A LYS 183.A NZ ASP 179.A O no hydrogen 2.848 N/A LYS 186.A NZ ASP 190.A OD1 no hydrogen 3.522 N/A LYS 186.A NZ ASN 227.A O no hydrogen 3.430 N/A GLU 187.A N ASN 184.A OD1 no hydrogen 3.016 N/A ILE 188.A N ASN 184.A O no hydrogen 2.909 N/A SER 189.A N LEU 185.A O no hydrogen 2.764 N/A SER 189.A OG LEU 185.A O no hydrogen 2.461 N/A ASP 190.A N LYS 186.A O no hydrogen 2.843 N/A LEU 191.A N GLU 187.A O no hydrogen 3.105 N/A ILE 192.A N ILE 188.A O no hydrogen 3.100 N/A LYS 193.A N SER 189.A O no hydrogen 3.086 N/A LYS 194.A N ASP 190.A O no hydrogen 2.987 N/A GLU 195.A N LEU 191.A O no hydrogen 3.088 N/A LEU 196.A N ILE 192.A O no hydrogen 3.072 N/A THR 197.A N LYS 193.A O no hydrogen 2.951 N/A THR 197.A OG1 LYS 193.A O no hydrogen 2.919 N/A GLU 198.A N LYS 194.A O no hydrogen 2.766 N/A GLY 199.A N LEU 196.A O no hydrogen 2.901 N/A LYS 200.A N GLU 195.A O no hydrogen 3.168 N/A LYS 200.A NZ GLU 195.A OE1 no hydrogen 3.315 N/A LYS 200.A NZ GLU 198.A OE1 no hydrogen 3.388 N/A ALA 201.A N LEU 281.A O no hydrogen 2.825 N/A GLY 203.A N PHE 279.A O no hydrogen 2.850 N/A LEU 204.A N ILE 217.A O no hydrogen 2.663 N/A SER 205.A N GLY 277.A O no hydrogen 3.223 N/A HIS 206.A N HIS 215.A O no hydrogen 2.804 N/A HIS 206.A ND1 THR 207.A O no hydrogen 2.998 N/A THR 207.A N GLN 274.A O no hydrogen 3.065 N/A TYR 208.A N ILE 213.A O no hydrogen 2.902 N/A TYR 208.A OH ASP 239.A OD2 no hydrogen 2.987 N/A ILE 213.A N ASN 210.A OD1 no hydrogen 2.481 N/A HIS 215.A N HIS 206.A O no hydrogen 2.687 N/A HIS 215.A NE2 ASP 237.A OD2 no hydrogen 3.089 N/A ILE 217.A N LEU 204.A O no hydrogen 2.834 N/A ASN 218.A N THR 236.A O no hydrogen 3.101 N/A LEU 219.A N LEU 202.A O no hydrogen 3.088 N/A TRP 220.A N TYR 234.A O no hydrogen 2.739 N/A TRP 220.A NE1 THR 236.A OG1 no hydrogen 2.828 N/A GLY 221.A N TYR 234.A O no hydrogen 3.465 N/A ALA 222.A N VAL 4.A O no hydrogen 2.746 N/A ASP 223.A N ALA 232.A O no hydrogen 2.932 N/A PHE 224.A N THR 2.A O no hydrogen 2.658 N/A ASP 225.A N ASN 229.A O no hydrogen 2.808 N/A ASN 227.A N ASP 225.A OD1 no hydrogen 2.640 N/A GLY 228.A N ASP 225.A O no hydrogen 3.054 N/A ASN 229.A N ASP 225.A OD1 no hydrogen 3.147 N/A LEU 230.A N SER 189.A OG no hydrogen 2.850 N/A LYS 231.A N ASP 223.A O no hydrogen 2.823 N/A LYS 231.A NZ ASP 225.A OD2 no hydrogen 3.064 N/A ALA 232.A N ASP 223.A O no hydrogen 3.416 N/A ILE 233.A N TYR 249.A O no hydrogen 3.218 N/A TYR 234.A N GLY 221.A O no hydrogen 2.835 N/A TYR 234.A OH ASP 223.A OD1 no hydrogen 2.643 N/A VAL 235.A N LYS 247.A O no hydrogen 2.830 N/A THR 236.A N ASN 218.A O no hydrogen 3.144 N/A THR 236.A OG1 TYR 33.A O no hydrogen 3.160 N/A ASP 239.A N ASP 237.A OD2 no hydrogen 2.783 N/A SER 240.A N ASP 237.A O no hydrogen 3.266 N/A SER 240.A OG ASP 237.A O no hydrogen 3.406 N/A SER 243.A N ASN 241.A OD1 no hydrogen 3.151 N/A ILE 244.A N ASN 241.A O no hydrogen 2.963 N/A MET 246.A N ALA 24.A O no hydrogen 3.018 N/A LYS 247.A N VAL 235.A O no hydrogen 2.605 N/A LYS 247.A NZ ASP 237.A OD1 no hydrogen 3.305 N/A LYS 247.A NZ SER 240.A OG no hydrogen 2.807 N/A LYS 247.A NZ TYR 249.A OH no hydrogen 2.871 N/A LYS 248.A N PHE 22.A O no hydrogen 3.109 N/A TYR 249.A N ILE 233.A O no hydrogen 2.979 N/A PHE 250.A N SER 262.A O no hydrogen 2.590 N/A VAL 251.A N LYS 231.A O no hydrogen 2.868 N/A GLY 252.A N ALA 260.A O no hydrogen 3.036 N/A ASN 254.A N LYS 258.A O no hydrogen 2.685 N/A GLY 257.A N ASN 254.A O no hydrogen 2.829 N/A LYS 258.A NZ GLU 182.A OE1 no hydrogen 2.579 N/A ALA 260.A N GLY 252.A O no hydrogen 2.777 N/A ILE 261.A N ALA 273.A O no hydrogen 2.926 N/A SER 262.A N PHE 250.A O no hydrogen 3.110 N/A SER 262.A OG LYS 264.A O no hydrogen 3.454 N/A LYS 267.A N ASN 270.A O no hydrogen 2.925 N/A ASN 270.A ND2 SER 262.A OG no hydrogen 2.903 N/A ASN 270.A ND2 GLU 265.A O no hydrogen 2.684 N/A ALA 273.A N ILE 261.A O no hydrogen 2.871 N/A VAL 275.A N VAL 259.A O no hydrogen 3.078 N/A LEU 276.A N SER 205.A O no hydrogen 2.817 N/A LEU 278.A N HIS 178.A O no hydrogen 2.767 N/A PHE 279.A N GLY 203.A O no hydrogen 2.977 N/A THR 280.A N SER 176.A O no hydrogen 3.081 N/A THR 280.A OG1 SER 176.A OG no hydrogen 2.418 N/A LEU 281.A N ALA 201.A O no hydrogen 2.940 N/A SER 282.A N LEU 174.A O no hydrogen 2.794 N/A SER 282.A OG LEU 174.A O no hydrogen 3.242 N/A THR 283.A OG1 GLN 285.A OE1 no hydrogen 2.666 N/A GLN 285.A N THR 283.A OG1 no hydrogen 2.994 N/A SER 287.A N GLY 284.A O no hydrogen 3.285 N/A TRP 288.A NE1 ASN 63.A OD1 no hydrogen 3.033 N/A THR 291.A OG1 ASN 289.A OD1 no hydrogen 2.402 N/A