Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5xd1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N THR 77.A O no hydrogen 2.744 N/A ARG 5.A NE GLU 44.A OE2 no hydrogen 3.223 N/A ARG 5.A NH2 GLU 44.A OE1 no hydrogen 3.196 N/A ARG 5.A NH2 GLU 44.A OE2 no hydrogen 3.142 N/A ALA 6.A N ARG 79.A O no hydrogen 2.728 N/A ALA 7.A N GLY 36.A O no hydrogen 2.893 N/A GLY 8.A N TRP 81.A O no hydrogen 2.929 N/A ALA 9.A N PRO 34.A O no hydrogen 3.081 N/A VAL 10.A N TRP 83.A O no hydrogen 2.914 N/A TRP 12.A N ALA 85.A O no hydrogen 2.935 N/A ARG 13.A N GLU 19.A O no hydrogen 2.858 N/A ARG 13.A NE GLU 19.A OE1 no hydrogen 2.838 N/A ARG 13.A NH2 GLU 19.A OE1 no hydrogen 2.922 N/A GLU 19.A N ARG 13.A O no hydrogen 2.940 N/A VAL 20.A N LEU 104.A O no hydrogen 2.886 N/A ALA 21.A N LEU 11.A O no hydrogen 2.967 N/A VAL 22.A N VAL 102.A O no hydrogen 2.879 N/A ILE 23.A N SER 32.A O no hydrogen 2.952 N/A HIS 24.A N LYS 100.A O no hydrogen 2.918 N/A HIS 24.A ND1 ASP 99.A OD1 no hydrogen 2.759 N/A HIS 24.A NE2 ASP 29.A OD1 no hydrogen 2.938 N/A ARG 25.A N ASP 30.A O no hydrogen 3.128 N/A ARG 25.A NE ASP 30.A OD1 no hydrogen 3.075 N/A ARG 25.A NH1 ASP 30.A OD2 no hydrogen 2.841 N/A TYR 28.A N ARG 25.A O no hydrogen 3.256 N/A ASP 29.A N PRO 26.A O no hydrogen 3.321 N/A TRP 31.A N GLN 114.A OE1 no hydrogen 3.008 N/A SER 32.A N ILE 23.A O no hydrogen 2.953 N/A LEU 33.A N ASP 118.A OD2 no hydrogen 3.358 N/A LYS 35.A N GLU 55.A OE1 no hydrogen 3.287 N/A GLY 36.A N ALA 7.A O no hydrogen 2.940 N/A LEU 38.A N ARG 5.A O no hydrogen 2.983 N/A ASP 39.A N GLU 42.A OE2 no hydrogen 2.981 N/A GLU 42.A N ASP 39.A O no hydrogen 2.958 N/A THR 43.A OG1 GLN 172.A OE1.A no hydrogen 3.269 N/A GLU 44.A N GLU 44.A OE1 no hydrogen 2.923 N/A ALA 47.A N THR 43.A O no hydrogen 2.990 N/A ALA 48.A N GLU 44.A O no hydrogen 2.833 N/A ALA 49.A N PRO 45.A O no hydrogen 3.116 N/A ARG 50.A N VAL 46.A O no hydrogen 3.031 N/A ARG 50.A NE GLU 42.A OE1 no hydrogen 2.769 N/A ARG 50.A NH1 GLU 51.A OE2 no hydrogen 2.728 N/A ARG 50.A NH1 GLU 54.A OE1 no hydrogen 3.170 N/A ARG 50.A NH2 LYS 37.A O no hydrogen 3.219 N/A ARG 50.A NH2 GLU 42.A OE2 no hydrogen 2.914 N/A ARG 50.A NH2 GLU 51.A OE2 no hydrogen 3.130 N/A GLU 51.A N ALA 47.A O no hydrogen 2.762 N/A ILE 52.A N ALA 48.A O no hydrogen 2.917 N/A HIS 53.A N ALA 49.A O no hydrogen 3.138 N/A GLU 54.A N ARG 50.A O no hydrogen 2.846 N/A GLU 55.A N GLU 51.A O no hydrogen 2.822 N/A THR 56.A N ILE 52.A O no hydrogen 2.874 N/A THR 56.A OG1 ILE 52.A O no hydrogen 2.610 N/A GLY 57.A N HIS 53.A O no hydrogen 2.927 N/A HIS 58.A N THR 56.A OG1 no hydrogen 3.067 N/A HIS 58.A ND1 SER 87.A OG no hydrogen 2.911 N/A THR 59.A N GLY 89.A O no hydrogen 2.936 N/A THR 59.A OG1 THR 88.A OG1 no hydrogen 2.687 N/A THR 59.A OG1 GLY 89.A O no hydrogen 3.336 N/A VAL 61.A N LYS 86.A O no hydrogen 3.044 N/A LEU 62.A N ALA 175.A O no hydrogen 3.048 N/A GLY 63.A N ALA 84.A O no hydrogen 2.906 N/A ARG 64.A NH1 PHE 125.A O no hydrogen 3.065 N/A ARG 64.A NH1 PRO 129.A O no hydrogen 3.225 N/A ARG 64.A NH2 ARG 124.A O no hydrogen 2.985 N/A ARG 65.A N ASP 284.A OD2 no hydrogen 2.847 N/A ARG 65.A NH1 TYR 285.A O no hydrogen 2.946 N/A ARG 65.A NH2 THR 262.A OG1 no hydrogen 2.875 N/A LEU 66.A N TYR 82.A O no hydrogen 2.694 N/A VAL 69.A N VAL 80.A O no hydrogen 2.820 N/A TYR 71.A N LYS 78.A O no hydrogen 3.066 N/A ILE 73.A N GLY 76.A O no hydrogen 2.980 N/A GLY 76.A N ILE 73.A O no hydrogen 2.913 N/A THR 77.A N HIS 2.A O no hydrogen 2.857 N/A LYS 78.A N TYR 71.A O no hydrogen 2.857 N/A ARG 79.A N VAL 4.A O no hydrogen 2.853 N/A ARG 79.A NH2 GLU 44.A OE2 no hydrogen 2.835 N/A VAL 80.A N VAL 69.A O no hydrogen 2.789 N/A TRP 81.A N ALA 6.A O no hydrogen 3.186 N/A TYR 82.A N GLY 67.A O no hydrogen 3.060 N/A TRP 83.A N GLY 8.A O no hydrogen 3.010 N/A ALA 84.A N ARG 64.A O no hydrogen 2.856 N/A ALA 85.A N VAL 10.A O no hydrogen 2.913 N/A LYS 86.A N VAL 61.A O no hydrogen 3.036 N/A SER 87.A N TRP 12.A O no hydrogen 2.913 N/A SER 87.A OG HIS 58.A ND1 no hydrogen 2.911 N/A THR 88.A N THR 59.A O no hydrogen 2.811 N/A THR 88.A OG1 THR 59.A OG1 no hydrogen 2.687 N/A GLY 89.A N SER 87.A OG no hydrogen 3.117 N/A ASN 95.A N VAL 98.A O no hydrogen 2.973 N/A ASN 95.A ND2 SER 93.A O no hydrogen 3.044 N/A GLU 97.A N.A ASN 95.A OD1 no hydrogen 2.875 N/A GLU 97.A N.B ASN 95.A OD1 no hydrogen 2.889 N/A VAL 98.A N ASN 95.A OD1 no hydrogen 3.051 N/A ASP 99.A N HIS 24.A O no hydrogen 3.043 N/A VAL 102.A N VAL 22.A O no hydrogen 2.929 N/A LEU 104.A N VAL 20.A O no hydrogen 2.919 N/A ALA 109.A N PRO 105.A O no hydrogen 2.824 N/A MET 110.A N.A VAL 106.A O no hydrogen 2.902 N/A MET 110.A N.B VAL 106.A O no hydrogen 2.897 N/A ASP 111.A N ALA 108.A O no hydrogen 3.173 N/A GLN 112.A N ALA 108.A O no hydrogen 3.032 N/A LEU 113.A N ALA 109.A O no hydrogen 2.886 N/A GLN 114.A N TRP 31.A O no hydrogen 3.439 N/A TYR 115.A OH ASP 30.A OD2 no hydrogen 2.575 N/A ARG 119.A N.A TYR 115.A O no hydrogen 3.245 N/A ARG 119.A N.A PRO 116.A O no hydrogen 3.091 N/A ARG 119.A N.B TYR 115.A O no hydrogen 3.262 N/A ARG 119.A NE.B MET 110.A O.A no hydrogen 2.460 N/A ARG 119.A NE.B MET 110.A O.B no hydrogen 2.517 N/A ARG 119.A NH1.A LEU 113.A O no hydrogen 3.021 N/A LYS 120.A N PRO 116.A O no hydrogen 3.070 N/A VAL 121.A N ASP 117.A O no hydrogen 3.124 N/A LEU 122.A N ASP 118.A O no hydrogen 3.102 N/A ARG 123.A N ARG 119.A O.A no hydrogen 2.853 N/A ARG 123.A N ARG 119.A O.B no hydrogen 2.775 N/A ARG 124.A N LYS 120.A O no hydrogen 3.065 N/A ARG 124.A NH1 GLU 261.A OE1 no hydrogen 2.874 N/A ARG 124.A NH2 GLU 261.A OE2 no hydrogen 3.269 N/A PHE 125.A N VAL 121.A O no hydrogen 2.915 N/A VAL 126.A N LEU 122.A O no hydrogen 3.114 N/A LYS 127.A N ARG 123.A O no hydrogen 3.209 N/A LYS 127.A N ARG 124.A O no hydrogen 3.251 N/A LYS 133.A N LEU 275.A O no hydrogen 2.975 N/A LYS 133.A NZ ALA 230.A O no hydrogen 2.870 N/A LYS 133.A NZ GLY 234.A O no hydrogen 2.827 N/A THR 134.A N ASN 235.A OD1 no hydrogen 2.957 N/A VAL 135.A N LEU 273.A O no hydrogen 2.785 N/A LEU 136.A N PRO 236.A O no hydrogen 2.855 N/A VAL 137.A N TRP 271.A O no hydrogen 2.929 N/A VAL 138.A N ILE 238.A O no hydrogen 2.870 N/A ARG 139.A N SER 269.A O no hydrogen 3.026 N/A ARG 139.A NH1 ASN 265.A O no hydrogen 2.726 N/A HIS 140.A N THR 240.A O no hydrogen 3.129 N/A HIS 140.A ND1 GLY 141.A O no hydrogen 2.674 N/A GLY 141.A N THR 192.A OG1 no hydrogen 3.025 N/A THR 142.A N GLN 165.A OE1 no hydrogen 2.935 N/A THR 142.A OG1 ASP 159.A OD1 no hydrogen 2.806 N/A GLY 144.A N ASP 159.A OD2 no hydrogen 3.122 N/A ARG 146.A NH1 GLY 151.A O no hydrogen 3.210 N/A ARG 146.A NH1 GLU 212.A OE2 no hydrogen 3.009 N/A ARG 146.A NH2 GLU 212.A OE1 no hydrogen 2.639 N/A ARG 146.A NH2 GLU 212.A OE2 no hydrogen 3.561 N/A SER 147.A N ASP 153.A OD2 no hydrogen 3.502 N/A SER 147.A OG ASP 153.A OD1 no hydrogen 3.075 N/A ARG 156.A NE ASP 153.A OD2 no hydrogen 2.858 N/A ARG 156.A NH1 ALA 143.A O no hydrogen 2.888 N/A ARG 156.A NH2 ASP 153.A OD2 no hydrogen 3.514 N/A LEU 158.A N GLN 191.A OE1 no hydrogen 2.763 N/A ASP 159.A N THR 142.A O no hydrogen 3.023 N/A ARG 161.A NE ASP 290.A OD2 no hydrogen 2.746 N/A ARG 161.A NH1 ASP 290.A OD1 no hydrogen 3.257 N/A ARG 161.A NH1 ASP 290.A OD2 no hydrogen 3.390 N/A ARG 161.A NH1 GLU 291.A OE1 no hydrogen 2.703 N/A GLY 162.A N ASP 159.A OD1 no hydrogen 2.911 N/A ARG 163.A N ASP 159.A O no hydrogen 2.862 N/A ALA 164.A N LYS 160.A O no hydrogen 3.194 N/A GLN 165.A N ARG 161.A O no hydrogen 2.811 N/A GLN 165.A NE2 LYS 267.A O no hydrogen 3.622 N/A GLN 165.A NE2 ASP 290.A OD1 no hydrogen 3.017 N/A ALA 166.A N GLY 162.A O no hydrogen 2.923 N/A GLU 167.A N ARG 163.A O no hydrogen 2.983 N/A ALA 168.A N ALA 164.A O no hydrogen 2.937 N/A LEU 169.A N GLN 165.A O no hydrogen 2.881 N/A VAL 170.A N GLU 167.A O no hydrogen 3.341 N/A LEU 173.A N LEU 169.A O no hydrogen 2.887 N/A MET 174.A N VAL 170.A O no hydrogen 2.865 N/A ALA 175.A N ALA 171.A O no hydrogen 3.008 N/A ALA 175.A N GLN 172.A O.A no hydrogen 3.273 N/A ALA 175.A N GLN 172.A O.B no hydrogen 3.259 N/A PHE 176.A N LEU 173.A O no hydrogen 3.220 N/A GLY 177.A N MET 174.A O no hydrogen 2.975 N/A ALA 178.A N LEU 173.A O no hydrogen 3.337 N/A THR 179.A N ASN 235.A O no hydrogen 2.848 N/A THR 179.A OG1 ASN 235.A O no hydrogen 3.543 N/A THR 180.A N ASN 235.A O no hydrogen 3.352 N/A TYR 182.A N VAL 237.A O no hydrogen 2.806 N/A ALA 183.A N HIS 205.A O.A no hydrogen 2.980 N/A ALA 183.A N HIS 205.A O.B no hydrogen 2.855 N/A ALA 184.A N CYS 239.A O no hydrogen 2.811 N/A ASP 185.A N GLU 207.A O no hydrogen 3.316 N/A ARG 186.A N ALA 184.A O no hydrogen 2.785 N/A ARG 186.A NE ASP 152.A OD2 no hydrogen 2.954 N/A ARG 186.A NH1 ASP 185.A O no hydrogen 2.840 N/A ARG 186.A NH2 GLU 213.A OE1 no hydrogen 3.214 N/A VAL 187.A N ARG 154.A O no hydrogen 2.984 N/A ARG 188.A NE HIS 140.A NE2 no hydrogen 3.316 N/A ARG 188.A NH1 ASP 153.A O no hydrogen 2.734 N/A ARG 188.A NH2 ASP 152.A OD1 no hydrogen 2.728 N/A CYS 189.A N ARG 186.A O no hydrogen 3.108 N/A HIS 190.A N ARG 186.A O no hydrogen 3.305 N/A HIS 190.A NE2 ASN 206.A OD1 no hydrogen 2.810 N/A GLN 191.A N VAL 187.A O no hydrogen 2.862 N/A THR 192.A N CYS 189.A O no hydrogen 3.217 N/A THR 192.A OG1 ARG 188.A O no hydrogen 2.788 N/A ILE 193.A N HIS 190.A O no hydrogen 3.103 N/A ALA 197.A N ILE 193.A O no hydrogen 2.845 N/A GLN 198.A N GLU 194.A O no hydrogen 2.916 N/A GLN 198.A NE2 GLU 194.A OE2 no hydrogen 3.014 N/A GLU 199.A N PRO 195.A O no hydrogen 3.050 N/A LEU 200.A N LEU 196.A O no hydrogen 2.950 N/A ASP 201.A N GLN 198.A O no hydrogen 3.300 N/A GLN 202.A N ALA 197.A O no hydrogen 2.941 N/A HIS 205.A N.A LEU 181.A O no hydrogen 2.830 N/A HIS 205.A N.B LEU 181.A O no hydrogen 2.826 N/A HIS 205.A ND1.A GLU 207.A OE2 no hydrogen 2.685 N/A ASN 206.A ND2 ASP 185.A OD1 no hydrogen 3.031 N/A GLU 207.A N ALA 183.A O no hydrogen 2.758 N/A LEU 210.A N GLU 207.A O no hydrogen 3.195 N/A THR 211.A OG1 PRO 208.A O no hydrogen 3.508 N/A GLU 212.A N GLN 241.A OE1 no hydrogen 2.850 N/A ALA 214.A N THR 211.A OG1 no hydrogen 3.106 N/A TYR 215.A N THR 211.A O no hydrogen 2.874 N/A ALA 216.A N GLU 212.A O no hydrogen 3.053 N/A ALA 217.A N GLU 213.A O no hydrogen 3.055 N/A ASP 218.A N ALA 214.A O no hydrogen 2.805 N/A ALA 221.A N ASP 218.A OD1 no hydrogen 3.097 N/A ALA 222.A N ASP 218.A O no hydrogen 3.366 N/A ARG 223.A N HIS 219.A O no hydrogen 3.001 N/A LYS 224.A N LYS 220.A O no hydrogen 3.108 N/A LYS 224.A NZ GLU 228.A OE2 no hydrogen 3.160 N/A ARG 225.A N ALA 221.A O no hydrogen 2.920 N/A ARG 225.A NE GLU 207.A OE1 no hydrogen 2.671 N/A ARG 225.A NH1 GLU 228.A OE1 no hydrogen 2.937 N/A ARG 225.A NH2 GLU 207.A OE1 no hydrogen 3.532 N/A ARG 225.A NH2 GLU 207.A OE2 no hydrogen 2.788 N/A LEU 226.A N ALA 222.A O no hydrogen 2.884 N/A LEU 227.A N ARG 223.A O no hydrogen 3.068 N/A GLU 228.A N LYS 224.A O no hydrogen 2.891 N/A ILE 229.A N ARG 225.A O no hydrogen 2.890 N/A ALA 230.A N LEU 226.A O no hydrogen 2.889 N/A GLY 231.A N LEU 227.A O no hydrogen 2.885 N/A ARG 232.A N ILE 229.A O no hydrogen 3.086 N/A ARG 232.A NH1 TYR 182.A OH no hydrogen 3.239 N/A ASN 235.A N THR 179.A OG1 no hydrogen 2.823 N/A ASN 235.A ND2 PHE 176.A O no hydrogen 3.330 N/A ASN 235.A ND2 GLY 177.A O no hydrogen 3.170 N/A VAL 237.A N THR 180.A O no hydrogen 2.790 N/A ILE 238.A N LEU 136.A O no hydrogen 2.780 N/A CYS 239.A N TYR 182.A O no hydrogen 2.886 N/A CYS 239.A SG VAL 138.A O no hydrogen 3.516 N/A CYS 239.A SG CYS 189.A O no hydrogen 3.390 N/A THR 240.A N VAL 138.A O no hydrogen 2.928 N/A THR 240.A OG1 LEU 210.A O no hydrogen 2.528 N/A GLN 241.A N THR 240.A OG1 no hydrogen 2.634 N/A GLN 241.A NE2 ASP 152.A OD2 no hydrogen 2.881 N/A VAL 244.A N GLN 241.A O no hydrogen 3.107 N/A ILE 245.A N GLN 241.A O no hydrogen 3.217 N/A LEU 248.A N VAL 244.A O no hydrogen 3.093 N/A ILE 249.A N ILE 245.A O no hydrogen 2.824 N/A GLU 250.A N PRO 246.A O no hydrogen 2.837 N/A TRP 251.A N GLY 247.A O no hydrogen 3.064 N/A TRP 252.A N LEU 248.A O no hydrogen 3.107 N/A CYS 253.A N ILE 249.A O no hydrogen 2.913 N/A CYS 253.A SG ILE 249.A O no hydrogen 3.452 N/A GLU 254.A N GLU 250.A O no hydrogen 2.841 N/A ARG 255.A N TRP 251.A O no hydrogen 3.095 N/A ALA 256.A N TRP 252.A O no hydrogen 3.032 N/A LYS 257.A N GLU 254.A O no hydrogen 3.315 N/A LYS 257.A NZ GLU 254.A O no hydrogen 2.773 N/A VAL 258.A N CYS 253.A O no hydrogen 2.914 N/A THR 262.A OG1 TYR 285.A O no hydrogen 2.932 N/A ASN 265.A ND2 GLY 242.A O no hydrogen 3.028 N/A ARG 266.A N TYR 285.A OH no hydrogen 3.187 N/A ARG 266.A NE GLU 291.A OE2 no hydrogen 3.011 N/A ARG 266.A NH1 GLU 291.A OE1 no hydrogen 3.103 N/A GLY 268.A N ARG 139.A O no hydrogen 2.803 N/A GLY 268.A N HIS 140.A O no hydrogen 3.052 N/A SER 269.A N ARG 266.A O no hydrogen 3.013 N/A SER 269.A OG ARG 266.A O no hydrogen 2.643 N/A THR 270.A N LEU 286.A O no hydrogen 3.065 N/A TRP 271.A N VAL 137.A O no hydrogen 2.723 N/A VAL 272.A N ASP 284.A O no hydrogen 2.832 N/A LEU 273.A N VAL 135.A O no hydrogen 2.767 N/A SER 274.A N GLY 282.A O no hydrogen 3.006 N/A LEU 275.A N LYS 133.A O no hydrogen 2.848 N/A SER 276.A N GLU 279.A O no hydrogen 2.803 N/A GLU 279.A N SER 276.A O no hydrogen 2.916 N/A VAL 281.A N SER 274.A O no hydrogen 2.791 N/A ASP 284.A N VAL 272.A O no hydrogen 2.900 N/A LEU 286.A N THR 270.A O no hydrogen 2.688 N/A SER 287.A OG.A LYS 292.A O no hydrogen 2.904 N/A GLU 291.A N PRO 288.A O no hydrogen 3.033 N/A