Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ayx_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH1 ILE 36.A O no hydrogen 2.930 N/A VAL 5.A N SER 37.A O no hydrogen 2.920 N/A ILE 6.A N ILE 68.A O no hydrogen 2.982 N/A TRP 7.A N TYR 40.A O no hydrogen 2.835 N/A TRP 7.A NE1 GLU 72.A OE1 no hydrogen 2.862 N/A LEU 8.A N ALA 70.A O no hydrogen 2.886 N/A HIS 9.A ND1 GLU 12.A OE1.A no hydrogen 2.608 N/A HIS 9.A ND1 GLU 12.A OE1.B no hydrogen 2.716 N/A HIS 9.A ND1 GLU 12.A OE2.B no hydrogen 2.829 N/A HIS 9.A NE2 ASP 41.A OD1 no hydrogen 2.768 N/A GLY 10.A N GLU 72.A O no hydrogen 2.841 N/A LEU 11.A N ASN 74.A O no hydrogen 2.865 N/A THR 14.A OG1 GLU 12.A OE1.B no hydrogen 2.807 N/A SER 17.A N GLU 72.A OE2 no hydrogen 2.818 N/A SER 17.A OG GLU 72.A OE1 no hydrogen 2.545 N/A GLU 18.A N THR 14.A O no hydrogen 3.112 N/A SER 19.A N CYS 15.A O no hydrogen 2.883 N/A SER 19.A OG PRO 150.A O no hydrogen 2.677 N/A PHE 20.A N CYS 16.A O no hydrogen 3.003 N/A ILE 21.A N SER 17.A O no hydrogen 3.270 N/A ARG 22.A N SER 19.A O no hydrogen 2.871 N/A ARG 22.A NH1 GLU 18.A OE1 no hydrogen 2.806 N/A ARG 22.A NH2 GLU 18.A OE1 no hydrogen 3.066 N/A SER 23.A N PHE 20.A O no hydrogen 3.207 N/A SER 23.A OG PRO 26.A O no hydrogen 2.711 N/A SER 23.A OG THR 156.A OG1 no hydrogen 2.797 N/A ALA 24.A N GLU 153.A OE2 no hydrogen 2.818 N/A VAL 31.A N LEU 27.A O no hydrogen 2.969 N/A VAL 32.A N ALA 28.A O no hydrogen 3.035 N/A LEU 33.A N LYS 29.A O no hydrogen 3.000 N/A SER 34.A N ASP 30.A O no hydrogen 2.908 N/A MET 35.A N VAL 31.A O no hydrogen 3.077 N/A ILE 36.A N VAL 31.A O no hydrogen 3.019 N/A SER 37.A N THR 3.A O no hydrogen 2.805 N/A SER 37.A OG ASP 39.A OD1 no hydrogen 2.563 N/A ASP 39.A N VAL 5.A O no hydrogen 2.882 N/A THR 43.A N ASP 41.A OD1 no hydrogen 3.347 N/A LEU 44.A N ASP 41.A O no hydrogen 3.208 N/A MET 45.A N ASP 41.A O no hydrogen 3.031 N/A ALA 52.A N SER 48.A O no hydrogen 3.189 N/A GLU 53.A N GLY 49.A O no hydrogen 3.059 N/A ALA 54.A N HIS 50.A O no hydrogen 3.094 N/A ILE 55.A N ALA 52.A O no hydrogen 2.996 N/A ASP 57.A N GLU 53.A O no hydrogen 3.162 N/A GLU 58.A N ALA 54.A O no hydrogen 2.983 N/A ILE 59.A N ILE 55.A O no hydrogen 2.856 N/A LYS 60.A N LEU 56.A O no hydrogen 2.979 N/A LYS 60.A NZ ARG 97.A O no hydrogen 3.042 N/A LYS 60.A NZ ASP 101.A OD2 no hydrogen 2.837 N/A GLU 61.A N ASP 57.A O no hydrogen 3.318 N/A LYS 62.A N GLU 58.A O no hydrogen 2.889 N/A TYR 63.A N ILE 59.A O no hydrogen 2.692 N/A LYS 64.A N GLU 61.A O no hydrogen 3.352 N/A GLY 65.A N ASP 101.A O no hydrogen 2.793 N/A ASN 66.A N TYR 63.A O no hydrogen 2.787 N/A TYR 67.A OH MET 98.A O no hydrogen 2.627 N/A ILE 68.A N PRO 4.A O no hydrogen 2.876 N/A LEU 69.A N ALA 104.A O no hydrogen 2.980 N/A ALA 70.A N ILE 6.A O no hydrogen 2.825 N/A VAL 71.A N ILE 106.A O no hydrogen 2.826 N/A GLU 72.A N LEU 8.A O no hydrogen 2.950 N/A ASN 74.A N LEU 11.A O no hydrogen 2.940 N/A ASN 74.A ND2 CYS 111.A O no hydrogen 2.875 N/A ASN 74.A ND2 GLY 115.A O no hydrogen 2.944 N/A LEU 77.A N GLN 126.A O no hydrogen 3.033 N/A ASN 78.A N THR 125.A O no hydrogen 2.916 N/A ASN 78.A ND2 PRO 124.A O no hydrogen 3.011 N/A GLN 79.A NE2 PRO 124.A O no hydrogen 3.198 N/A GLY 81.A N ASN 78.A O no hydrogen 2.834 N/A MET 82.A N GLN 79.A O no hydrogen 2.855 N/A SER 83.A OG ASN 78.A O no hydrogen 3.514 N/A SER 83.A OG GLN 79.A OE1 no hydrogen 2.813 N/A CYS 84.A N GLY 81.A O no hydrogen 3.242 N/A ILE 86.A N ARG 89.A O no hydrogen 2.829 N/A ARG 89.A N ILE 86.A O no hydrogen 3.117 N/A PHE 91.A N CYS 84.A O no hydrogen 2.812 N/A GLU 93.A N PRO 90.A O no hydrogen 2.984 N/A GLN 94.A NE2 TYR 40.A OH no hydrogen 3.500 N/A LEU 95.A N PHE 91.A O no hydrogen 2.955 N/A LYS 96.A N SER 92.A O no hydrogen 2.930 N/A LYS 96.A NZ ASP 100.A OD1 no hydrogen 2.638 N/A LYS 96.A NZ ASP 100.A OD2 no hydrogen 3.228 N/A ARG 97.A N GLU 93.A O no hydrogen 3.061 N/A ARG 97.A NH1 ASP 57.A OD1 no hydrogen 3.046 N/A MET 98.A N GLN 94.A O no hydrogen 3.018 N/A ALA 99.A N LEU 95.A O no hydrogen 2.824 N/A ASP 100.A N LYS 96.A O no hydrogen 3.023 N/A ASP 101.A N MET 98.A O no hydrogen 3.360 N/A ALA 102.A N ALA 99.A O no hydrogen 3.315 N/A LYS 103.A N TYR 67.A O no hydrogen 2.809 N/A ILE 105.A N PRO 141.A O no hydrogen 2.901 N/A ILE 106.A N LEU 69.A O no hydrogen 2.919 N/A SER 107.A N ILE 143.A O no hydrogen 2.811 N/A TRP 108.A N VAL 71.A O no hydrogen 2.883 N/A GLY 109.A N VAL 145.A O no hydrogen 2.747 N/A SER 110.A N GLY 147.A O no hydrogen 2.888 N/A SER 110.A OG CYS 251.A O no hydrogen 2.699 N/A CYS 111.A SG LEU 11.A O no hydrogen 4.010 N/A SER 113.A N GLY 109.A O no hydrogen 3.023 N/A SER 113.A OG SER 107.A O no hydrogen 3.323 N/A SER 113.A OG GLY 109.A O no hydrogen 2.863 N/A TRP 114.A N SER 110.A O no hydrogen 2.827 N/A TRP 114.A NE1 SER 252.A O no hydrogen 3.217 N/A GLY 115.A N SER 110.A O no hydrogen 2.914 N/A GLN 118.A N GLN 118.A OE1 no hydrogen 2.772 N/A GLN 118.A NE2 ASN 74.A OD1 no hydrogen 2.948 N/A ALA 119.A N CYS 116.A O no hydrogen 2.955 N/A ALA 120.A N VAL 117.A O no hydrogen 3.006 N/A LYS 121.A N ASP 258.A OD2 no hydrogen 2.887 N/A ASN 123.A N ALA 120.A O no hydrogen 2.776 N/A ASN 123.A ND2 ALA 127.A O no hydrogen 3.107 N/A GLN 126.A N ASN 123.A O no hydrogen 3.009 N/A ALA 127.A N ASN 123.A OD1 no hydrogen 2.815 N/A THR 128.A N PRO 75.A O no hydrogen 2.977 N/A THR 128.A OG1 GLN 126.A O no hydrogen 2.898 N/A VAL 130.A N ALA 112.A O no hydrogen 3.002 N/A PHE 133.A N PRO 129.A O no hydrogen 2.916 N/A LEU 134.A N VAL 130.A O no hydrogen 2.942 N/A GLY 135.A N HIS 131.A O no hydrogen 3.084 N/A TYR 138.A N GLY 135.A O no hydrogen 3.179 N/A TYR 138.A OH ALA 99.A O no hydrogen 2.749 N/A LYS 140.A NZ ALA 99.A O no hydrogen 3.535 N/A LYS 140.A NZ ASP 100.A O no hydrogen 2.788 N/A LYS 140.A NZ ASP 139.A OD1 no hydrogen 3.408 N/A ILE 143.A N ILE 105.A O no hydrogen 2.809 N/A LYS 144.A N GLY 175.A O no hydrogen 2.881 N/A LYS 144.A NZ GLN 174.A O no hydrogen 2.747 N/A VAL 145.A N SER 107.A O no hydrogen 3.004 N/A GLY 147.A N SER 110.A OG no hydrogen 2.963 N/A MET 155.A N ILE 151.A O no hydrogen 3.107 N/A THR 156.A N ALA 152.A O no hydrogen 3.027 N/A THR 156.A OG1 SER 23.A OG no hydrogen 2.797 N/A THR 156.A OG1 ALA 152.A O no hydrogen 3.424 N/A GLY 157.A N GLU 153.A O no hydrogen 2.830 N/A VAL 158.A N VAL 154.A O no hydrogen 2.907 N/A ILE 159.A N MET 155.A O no hydrogen 3.381 N/A THR 160.A N THR 156.A O no hydrogen 2.864 N/A THR 160.A OG1 THR 156.A O no hydrogen 3.122 N/A THR 160.A OG1 GLY 157.A O no hydrogen 3.188 N/A TYR 161.A N GLY 157.A O no hydrogen 2.963 N/A MET 162.A N VAL 158.A O no hydrogen 3.157 N/A LEU 163.A N ILE 159.A O no hydrogen 2.983 N/A THR 164.A N THR 160.A O no hydrogen 2.871 N/A THR 164.A OG1 THR 160.A O no hydrogen 2.779 N/A PHE 165.A N TYR 161.A O no hydrogen 2.886 N/A ASP 166.A N MET 162.A O no hydrogen 2.959 N/A ARG 167.A NH1 TYR 161.A OH no hydrogen 3.095 N/A ASP 172.A N ARG 176.A O no hydrogen 2.937 N/A GLY 175.A N ASP 172.A O no hydrogen 2.908 N/A ARG 176.A N ASP 172.A OD1 no hydrogen 2.911 N/A ARG 176.A NE ASP 172.A OD2 no hydrogen 2.825 N/A ARG 176.A NH1 GLU 253.A OE2 no hydrogen 3.034 N/A ARG 176.A NH2 ASP 172.A OD2 no hydrogen 3.282 N/A LYS 178.A N GLU 170.A O no hydrogen 2.945 N/A LYS 178.A NZ GLU 170.A OE2 no hydrogen 2.727 N/A PHE 180.A N PRO 177.A O no hydrogen 3.086 N/A TYR 181.A N PRO 177.A O no hydrogen 2.968 N/A TYR 181.A OH PRO 146.A O no hydrogen 2.652 N/A SER 182.A OG LYS 178.A O no hydrogen 2.685 N/A GLN 183.A NE2 PHE 180.A O no hydrogen 2.946 N/A GLN 183.A NE2 GLN 183.A O no hydrogen 3.419 N/A GLN 183.A NE2 ASN 227.A O no hydrogen 3.011 N/A ARG 184.A N ASP 187.A OD2 no hydrogen 2.816 N/A ARG 184.A NE ASP 187.A OD2 no hydrogen 3.089 N/A ARG 184.A NH2 ASP 187.A OD1 no hydrogen 3.071 N/A ARG 184.A NH2 ASP 187.A OD2 no hydrogen 3.468 N/A ILE 185.A N THR 225.A O no hydrogen 2.849 N/A HIS 186.A N GLY 222.A O no hydrogen 3.299 N/A ASP 187.A N ARG 184.A O no hydrogen 2.918 N/A LYS 188.A N ILE 185.A O no hydrogen 3.101 N/A ARG 191.A NE TYR 190.A OH no hydrogen 2.991 N/A ARG 191.A NH1 TYR 190.A OH no hydrogen 3.365 N/A ARG 191.A NH1 GLN 243.A O no hydrogen 3.327 N/A ARG 191.A NH2 TYR 213.A O no hydrogen 2.777 N/A ARG 192.A N CYS 189.A O no hydrogen 2.935 N/A ARG 192.A NE ASP 196.A OD1 no hydrogen 2.952 N/A ARG 192.A NH1 HIS 186.A O no hydrogen 3.114 N/A HIS 194.A N ARG 191.A O no hydrogen 2.960 N/A HIS 194.A ND1 GLN 199.A OE1 no hydrogen 2.864 N/A PHE 195.A N ARG 191.A O no hydrogen 3.274 N/A ASP 196.A N ARG 192.A O no hydrogen 2.875 N/A ALA 197.A N PRO 193.A O no hydrogen 3.129 N/A GLY 198.A N PHE 195.A O no hydrogen 3.076 N/A GLN 199.A N HIS 194.A O no hydrogen 2.894 N/A VAL 201.A N CYS 214.A O no hydrogen 2.961 N/A GLU 202.A N ASP 206.A OD2 no hydrogen 2.849 N/A GLU 203.A N ASP 206.A OD2 no hydrogen 3.073 N/A ASP 206.A N GLU 203.A O no hydrogen 3.210 N/A ALA 209.A N ASP 206.A OD1 no hydrogen 2.842 N/A ARG 210.A N ASP 206.A O no hydrogen 3.213 N/A ARG 210.A NE ASP 205.A OD1 no hydrogen 2.848 N/A ARG 210.A NH2 ASP 205.A OD1 no hydrogen 3.424 N/A ARG 210.A NH2 ASP 205.A OD2 no hydrogen 3.032 N/A LYS 211.A N GLY 208.A O no hydrogen 3.080 N/A LYS 211.A NZ GLU 207.A OE1 no hydrogen 2.863 N/A GLY 212.A N ALA 209.A O no hydrogen 3.319 N/A TYR 213.A N GLY 208.A O no hydrogen 2.943 N/A CYS 214.A N GLN 199.A O no hydrogen 3.115 N/A TYR 216.A OH ASP 266.A O no hydrogen 2.606 N/A LYS 217.A NZ GLU 202.A OE1 no hydrogen 3.011 N/A LYS 217.A NZ GLU 202.A OE2 no hydrogen 2.499 N/A VAL 218.A N LEU 215.A O no hydrogen 3.093 N/A GLY 219.A N TYR 216.A O no hydrogen 3.133 N/A CYS 220.A N LEU 215.A O no hydrogen 3.130 N/A LYS 221.A N CYS 248.A O no hydrogen 2.829 N/A LYS 221.A NZ GLY 219.A O no hydrogen 2.800 N/A LYS 221.A NZ SER 261.A O no hydrogen 3.301 N/A LYS 221.A NZ SER 264.A O no hydrogen 2.740 N/A THR 224.A N LYS 221.A O no hydrogen 3.075 N/A THR 224.A OG1 LYS 221.A O no hydrogen 3.357 N/A THR 224.A OG1 ASP 266.A OD1 no hydrogen 3.317 N/A THR 224.A OG1 ASP 266.A OD2 no hydrogen 2.684 N/A THR 225.A N GLY 222.A O no hydrogen 3.337 N/A THR 225.A OG1 LYS 221.A O no hydrogen 2.663 N/A TYR 226.A N GLU 253.A OE2 no hydrogen 2.878 N/A ASN 227.A N GLN 183.A O no hydrogen 3.200 N/A ALA 228.A N ASN 227.A OD1 no hydrogen 2.747 N/A SER 230.A OG ILE 185.A O no hydrogen 2.911 N/A THR 231.A N ALA 228.A O no hydrogen 3.125 N/A THR 231.A OG1 ALA 228.A O no hydrogen 3.056 N/A VAL 232.A N ALA 228.A O no hydrogen 2.821 N/A ARG 233.A N ALA 228.A O no hydrogen 3.255 N/A ARG 233.A NE GLY 237.A O no hydrogen 3.376 N/A ARG 233.A NH2 GLY 237.A O no hydrogen 2.895 N/A TRP 234.A N SER 239.A O no hydrogen 2.768 N/A THR 238.A N TRP 234.A O no hydrogen 2.763 N/A THR 238.A OG1 ASN 235.A O no hydrogen 2.659 N/A SER 239.A N TRP 234.A O no hydrogen 3.373 N/A SER 239.A OG PHE 240.A O no hydrogen 3.423 N/A SER 239.A OG SER 244.A OG no hydrogen 2.815 N/A SER 244.A N PHE 240.A O no hydrogen 3.237 N/A SER 244.A OG SER 239.A OG no hydrogen 2.815 N/A GLY 245.A N ILE 242.A O no hydrogen 3.020 N/A HIS 246.A N PRO 241.A O no hydrogen 3.248 N/A HIS 246.A ND1 GLY 247.A O no hydrogen 2.870 N/A HIS 246.A NE2 TYR 263.A OH no hydrogen 2.728 N/A CYS 248.A SG THR 225.A OG1 no hydrogen 3.726 N/A CYS 251.A SG CYS 148.A O no hydrogen 4.029 N/A SER 252.A OG TYR 226.A O no hydrogen 2.781 N/A GLU 253.A N GLY 250.A O no hydrogen 2.972 N/A PHE 256.A N GLU 253.A O no hydrogen 3.182 N/A ASP 258.A N GLY 255.A O no hydrogen 3.001 N/A LYS 259.A N PHE 256.A O no hydrogen 3.288 N/A LYS 259.A NZ ASP 266.A OD1 no hydrogen 2.726 N/A TYR 263.A N SER 261.A OG no hydrogen 3.209 N/A TYR 263.A OH HIS 246.A NE2 no hydrogen 2.728 N/A SER 264.A N SER 261.A O no hydrogen 2.974 N/A SER 264.A OG SER 261.A O no hydrogen 2.708 N/A ARG 265.A NE LYS 217.A O no hydrogen 3.073 N/A THR 267.A N ASP 266.A OD1 no hydrogen 2.823 N/A THR 267.A OG1 GLU 268.A OE2 no hydrogen 2.283 N/A GLY 273.A N ASN 270.A O no hydrogen 3.372 N/A