Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5b1u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH1 GLN 7.A OE1 no hydrogen 2.798 N/A ARG 1.A NH1 GLY 22.A O no hydrogen 3.200 N/A SER 4.A OG THR 42.A OG1 no hydrogen 2.626 N/A SER 5.A N ASP 2.A O no hydrogen 3.171 N/A SER 5.A OG ASP 2.A O no hydrogen 2.875 N/A GLN 7.A NE2 GLN 8.A O no hydrogen 3.103 N/A PHE 10.A N TYR 18.A O no hydrogen 3.154 N/A THR 11.A OG1 HIS 17.A ND1 no hydrogen 2.824 N/A ILE 12.A N THR 16.A O no hydrogen 2.852 N/A TYR 13.A N THR 16.A O no hydrogen 3.361 N/A TYR 13.A OH LYS 164.A O no hydrogen 2.726 N/A GLY 14.A N GLU 161.A OE2 no hydrogen 2.817 N/A ASN 15.A ND2 SER 30.A O no hydrogen 2.918 N/A THR 16.A N TYR 13.A O no hydrogen 2.882 N/A THR 16.A OG1 SER 159.A OG no hydrogen 2.641 N/A HIS 17.A N LEU 28.A O no hydrogen 2.924 N/A HIS 17.A ND1 THR 11.A OG1 no hydrogen 2.824 N/A HIS 17.A NE2 SER 30.A OG no hydrogen 2.913 N/A TYR 18.A N PHE 10.A O no hydrogen 2.757 N/A TYR 18.A OH THR 21.A O no hydrogen 2.748 N/A VAL 19.A N ALA 26.A O no hydrogen 2.881 N/A THR 21.A N ILE 24.A O no hydrogen 2.989 N/A THR 21.A OG1 TRP 3.A O no hydrogen 2.701 N/A THR 21.A OG1 ILE 24.A O no hydrogen 3.282 N/A GLY 22.A N SER 5.A O no hydrogen 3.042 N/A ILE 24.A N THR 21.A OG1 no hydrogen 2.920 N/A SER 25.A N ALA 212.A O no hydrogen 2.938 N/A SER 25.A OG ALA 211.A O no hydrogen 2.724 N/A SER 25.A OG ALA 212.A O no hydrogen 3.555 N/A VAL 27.A N VAL 38.A O no hydrogen 3.033 N/A LEU 28.A N HIS 17.A O no hydrogen 2.830 N/A LEU 29.A N ILE 36.A O no hydrogen 2.784 N/A SER 30.A N ASN 15.A O no hydrogen 3.003 N/A SER 30.A OG ASN 15.A O no hydrogen 3.480 N/A SER 30.A OG HIS 17.A NE2 no hydrogen 2.913 N/A SER 31.A N HIS 35.A ND1 no hydrogen 3.185 N/A SER 31.A OG GLY 34.A O no hydrogen 2.649 N/A GLN 33.A N SER 31.A OG no hydrogen 3.002 N/A GLY 34.A N SER 31.A O no hydrogen 3.107 N/A HIS 35.A N ASP 62.A O no hydrogen 2.825 N/A ILE 36.A N LEU 29.A O no hydrogen 2.901 N/A LEU 37.A N TYR 65.A O no hydrogen 2.965 N/A VAL 38.A N VAL 27.A O no hydrogen 2.747 N/A ASP 39.A N LEU 67.A O no hydrogen 2.806 N/A GLY 40.A N HIS 75.A O no hydrogen 2.979 N/A THR 41.A OG1 GLY 40.A O no hydrogen 2.757 N/A THR 42.A OG1 SER 4.A OG no hydrogen 2.626 N/A GLY 45.A N THR 42.A OG1 no hydrogen 2.789 N/A ALA 46.A N THR 42.A O no hydrogen 2.964 N/A ALA 46.A N GLU 43.A O no hydrogen 3.287 N/A GLN 47.A N LYS 44.A O no hydrogen 3.267 N/A VAL 49.A N GLY 45.A O no hydrogen 2.884 N/A ALA 50.A N ALA 46.A O no hydrogen 2.952 N/A ALA 51.A N GLN 47.A O no hydrogen 3.223 N/A ASN 52.A N VAL 48.A O no hydrogen 2.858 N/A ASN 52.A ND2 GLN 7.A O no hydrogen 3.181 N/A ASN 52.A ND2 VAL 19.A O no hydrogen 2.986 N/A ILE 53.A N VAL 49.A O no hydrogen 2.925 N/A ARG 54.A N ALA 50.A O no hydrogen 3.193 N/A ALA 55.A N ALA 51.A O no hydrogen 2.808 N/A MET 56.A N ASN 52.A O no hydrogen 3.094 N/A MET 56.A N ILE 53.A O no hydrogen 3.171 N/A GLY 57.A N ARG 54.A O no hydrogen 2.895 N/A PHE 58.A N ILE 53.A O no hydrogen 3.220 N/A ASP 62.A N LYS 59.A O no hydrogen 3.040 N/A VAL 63.A N LEU 60.A O no hydrogen 2.995 N/A LYS 64.A N HIS 35.A O no hydrogen 2.818 N/A LYS 64.A NZ SER 61.A O no hydrogen 2.901 N/A ILE 66.A N THR 89.A O no hydrogen 2.858 N/A LEU 67.A N LEU 37.A O no hydrogen 2.766 N/A SER 68.A N LEU 91.A O no hydrogen 2.991 N/A THR 69.A N ASP 39.A OD1 no hydrogen 2.923 N/A THR 69.A OG1 ASP 39.A OD1 no hydrogen 3.248 N/A THR 69.A OG1 ASP 39.A OD2 no hydrogen 2.683 N/A HIS 70.A ND1 ASP 172.A OD1 no hydrogen 2.590 N/A HIS 72.A NE2 ASP 109.A OD2 no hydrogen 2.666 N/A HIS 75.A N HIS 72.A O no hydrogen 3.115 N/A HIS 75.A NE2 HIS 213.A NE2 no hydrogen 3.063 N/A ALA 76.A N HIS 72.A O no hydrogen 2.871 N/A GLY 77.A N GLU 73.A O no hydrogen 3.013 N/A GLY 78.A N THR 41.A O no hydrogen 2.858 N/A ILE 79.A N ALA 76.A O no hydrogen 2.936 N/A SER 80.A OG GLY 120.A O no hydrogen 2.701 N/A MET 82.A N GLY 78.A O no hydrogen 3.009 N/A GLN 83.A N ILE 79.A O no hydrogen 2.750 N/A GLN 83.A NE2 ALA 88.A O no hydrogen 2.926 N/A LYS 84.A N SER 80.A O no hydrogen 3.033 N/A LEU 85.A N ALA 81.A O no hydrogen 3.021 N/A THR 86.A N MET 82.A O no hydrogen 3.002 N/A THR 86.A N GLN 83.A O no hydrogen 3.358 N/A THR 86.A OG1 MET 82.A O no hydrogen 2.747 N/A THR 86.A OG1 GLN 83.A O no hydrogen 3.438 N/A GLY 87.A N GLN 83.A O no hydrogen 2.818 N/A ALA 88.A N THR 86.A OG1 no hydrogen 3.019 N/A THR 89.A N LYS 64.A O no hydrogen 3.092 N/A VAL 90.A N LYS 123.A O no hydrogen 2.864 N/A LEU 91.A N ILE 66.A O no hydrogen 2.883 N/A ALA 92.A N ARG 125.A O no hydrogen 3.002 N/A ASN 96.A N GLY 93.A O no hydrogen 2.910 N/A ASN 96.A ND2 THR 149.A OG1 no hydrogen 2.991 N/A VAL 97.A N ALA 94.A O no hydrogen 3.325 N/A LEU 100.A N ASN 96.A O no hydrogen 2.977 N/A ARG 101.A N VAL 97.A O no hydrogen 2.983 N/A ARG 101.A NH2 VAL 124.A O no hydrogen 2.815 N/A THR 102.A N ASP 98.A O no hydrogen 3.010 N/A THR 102.A OG1 ASP 98.A O no hydrogen 3.035 N/A THR 102.A OG1 VAL 104.A O no hydrogen 3.569 N/A GLY 103.A N THR 99.A O no hydrogen 2.669 N/A VAL 104.A N THR 102.A OG1 no hydrogen 3.174 N/A ASP 109.A N PRO 106.A O no hydrogen 2.932 N/A GLN 111.A N ASP 109.A OD1 no hydrogen 2.851 N/A PHE 112.A N ASP 109.A O no hydrogen 2.849 N/A SER 114.A N GLN 111.A O no hydrogen 2.848 N/A SER 114.A OG GLN 111.A O no hydrogen 2.773 N/A SER 116.A OG.A GLU 73.A OE2 no hydrogen 3.503 N/A SER 116.A OG.B ASN 117.A O no hydrogen 3.277 N/A PHE 118.A N GLY 103.A O no hydrogen 3.046 N/A SER 121.A N LEU 100.A O no hydrogen 2.854 N/A SER 121.A OG.A ALA 122.A O no hydrogen 2.951 N/A ARG 125.A N VAL 90.A O no hydrogen 2.788 N/A ARG 125.A NH2 VAL 124.A O no hydrogen 2.938 N/A VAL 127.A N ALA 92.A O no hydrogen 2.948 N/A ALA 128.A N GLU 131.A OE1 no hydrogen 2.851 N/A GLY 130.A N ALA 142.A O no hydrogen 2.696 N/A GLU 131.A N ALA 128.A O no hydrogen 3.078 N/A VAL 133.A N VAL 140.A O no hydrogen 2.716 N/A LEU 135.A N LEU 138.A O no hydrogen 3.020 N/A LEU 138.A N LEU 135.A O no hydrogen 2.805 N/A VAL 140.A N VAL 133.A O no hydrogen 2.831 N/A LYS 141.A N THR 156.A O no hydrogen 2.840 N/A ALA 142.A N GLU 131.A O no hydrogen 2.866 N/A HIS 143.A N THR 154.A O no hydrogen 2.875 N/A HIS 143.A NE2 THR 156.A OG1 no hydrogen 2.815 N/A ALA 144.A N ASP 129.A OD1 no hydrogen 2.873 N/A THR 145.A N GLY 152.A O no hydrogen 2.830 N/A THR 145.A OG1 THR 154.A OG1 no hydrogen 2.927 N/A GLY 147.A N THR 149.A O no hydrogen 2.916 N/A HIS 148.A ND1 THR 175.A O no hydrogen 2.905 N/A GLY 151.A N ASN 96.A OD1 no hydrogen 2.952 N/A ILE 153.A N THR 69.A O no hydrogen 2.912 N/A THR 154.A N HIS 143.A O no hydrogen 2.906 N/A THR 154.A OG1 THR 145.A OG1 no hydrogen 2.927 N/A TRP 155.A N PHE 170.A O no hydrogen 3.072 N/A TRP 155.A NE1 SER 68.A O no hydrogen 3.118 N/A THR 156.A N LYS 141.A O no hydrogen 2.944 N/A THR 156.A OG1 HIS 143.A NE2 no hydrogen 2.815 N/A TRP 157.A N VAL 168.A O no hydrogen 3.010 N/A TRP 157.A NE1 THR 16.A OG1 no hydrogen 2.906 N/A SER 159.A N LYS 166.A O no hydrogen 3.050 N/A SER 159.A OG ASN 15.A OD1 no hydrogen 2.761 N/A SER 159.A OG THR 16.A OG1 no hydrogen 2.641 N/A GLU 161.A N LYS 164.A O no hydrogen 2.930 N/A LYS 164.A N GLU 161.A O no hydrogen 2.983 N/A CYS 165.A SG GLY 163.A O no hydrogen 3.851 N/A LYS 166.A N SER 159.A O no hydrogen 2.925 N/A ASP 167.A N ASP 207.A OD2 no hydrogen 2.823 N/A VAL 168.A N TRP 157.A O no hydrogen 2.800 N/A VAL 169.A N ILE 208.A O no hydrogen 2.847 N/A PHE 170.A N TRP 155.A O no hydrogen 2.798 N/A ALA 171.A N ILE 210.A O no hydrogen 2.859 N/A ASP 172.A N THR 154.A OG1 no hydrogen 3.082 N/A SER 173.A N ASP 172.A OD1 no hydrogen 2.754 N/A THR 175.A N SER 173.A OG.A no hydrogen 3.263 N/A THR 175.A OG1 HIS 148.A ND1 no hydrogen 2.913 N/A THR 175.A OG1 SER 173.A OG.A no hydrogen 2.774 N/A SER 178.A OG ALA 179.A O no hydrogen 2.818 N/A ALA 179.A N PRO 110.A O no hydrogen 2.999 N/A TYR 182.A N ALA 179.A O no hydrogen 3.145 N/A ARG 183.A NH1 GLU 258.A O no hydrogen 2.899 N/A ARG 183.A NH2 ASP 186.A OD1 no hydrogen 2.803 N/A PHE 184.A N GLU 258.A OE2 no hydrogen 2.861 N/A SER 185.A N GLU 258.A OE1 no hydrogen 2.746 N/A SER 185.A OG GLU 258.A OE1 no hydrogen 2.644 N/A ASP 186.A N ARG 183.A O no hydrogen 3.027 N/A HIS 187.A N PHE 184.A O no hydrogen 2.924 N/A VAL 191.A N HIS 187.A O no hydrogen 3.234 N/A ALA 192.A N PRO 188.A O no hydrogen 2.899 N/A SER 193.A N GLU 189.A O no hydrogen 2.905 N/A SER 193.A OG GLU 189.A O no hydrogen 3.071 N/A LEU 194.A N VAL 190.A O no hydrogen 2.940 N/A ARG 195.A N VAL 191.A O no hydrogen 3.001 N/A ARG 195.A NH1 GLU 252.A OE2 no hydrogen 3.156 N/A GLY 196.A N ALA 192.A O no hydrogen 2.903 N/A SER 197.A N SER 193.A O no hydrogen 2.921 N/A SER 197.A OG PRO 146.A O no hydrogen 2.663 N/A SER 197.A OG SER 193.A O no hydrogen 3.056 N/A PHE 198.A N LEU 194.A O no hydrogen 2.928 N/A GLU 199.A N ARG 195.A O no hydrogen 3.254 N/A ALA 200.A N GLY 196.A O no hydrogen 2.967 N/A VAL 201.A N SER 197.A O no hydrogen 2.972 N/A GLU 202.A N PHE 198.A O no hydrogen 2.992 N/A LYS 203.A N ALA 200.A O no hydrogen 3.159 N/A LEU 204.A N VAL 201.A O no hydrogen 3.152 N/A SER 205.A OG.B ASP 167.A OD2 no hydrogen 2.440 N/A ASP 207.A N ASP 167.A O no hydrogen 2.847 N/A ILE 208.A N ASP 167.A O no hydrogen 2.986 N/A ILE 210.A N VAL 169.A O no hydrogen 2.812 N/A ALA 212.A N ALA 171.A O no hydrogen 3.034 N/A GLU 215.A N GLU 215.A OE1 no hydrogen 2.801 N/A VAL 216.A N HIS 213.A O no hydrogen 2.929 N/A ASN 217.A N PRO 214.A O no hydrogen 3.282 N/A ASN 217.A ND2 ALA 209.A O no hydrogen 2.935 N/A ASP 218.A N GLU 215.A O no hydrogen 2.932 N/A MET 219.A N PRO 214.A O no hydrogen 3.139 N/A ARG 222.A N ASP 218.A O no hydrogen 2.920 N/A ARG 222.A NE ASN 217.A O no hydrogen 2.801 N/A ARG 222.A NH1 ALA 233.A O no hydrogen 2.932 N/A ARG 222.A NH2 ASN 217.A OD1 no hydrogen 2.991 N/A ARG 222.A NH2 ASP 236.A OD2 no hydrogen 2.922 N/A GLN 223.A N MET 219.A O no hydrogen 2.831 N/A GLN 224.A N TRP 220.A O no hydrogen 3.051 N/A ARG 225.A N THR 221.A O no hydrogen 2.966 N/A ARG 225.A NE GLU 229.A OE2.B no hydrogen 2.863 N/A ARG 225.A NH2 GLU 229.A OE1.B no hydrogen 2.677 N/A ARG 225.A NH2 GLU 229.A OE2.A no hydrogen 2.968 N/A ARG 225.A NH2 GLU 229.A OE2.B no hydrogen 3.449 N/A ALA 226.A N ARG 222.A O no hydrogen 2.839 N/A ALA 227.A N GLN 224.A O no hydrogen 3.362 N/A LYS 228.A N ARG 225.A O no hydrogen 3.249 N/A GLU 229.A N ARG 225.A O no hydrogen 2.866 N/A GLY 230.A N ALA 226.A O no hydrogen 2.746 N/A SER 232.A OG GLU 229.A O no hydrogen 3.263 N/A SER 232.A OG GLU 229.A OE1.A no hydrogen 2.582 N/A ALA 233.A N GLY 230.A O no hydrogen 3.067 N/A TYR 234.A N ASN 231.A O no hydrogen 3.035 N/A VAL 235.A N SER 232.A O no hydrogen 2.987 N/A ASP 236.A N ASP 207.A O no hydrogen 2.793 N/A GLY 238.A N ASP 236.A OD1 no hydrogen 2.999 N/A ALA 239.A N ASP 236.A O no hydrogen 3.064 N/A ALA 242.A N GLY 238.A O no hydrogen 2.971 N/A ILE 243.A N ALA 239.A O no hydrogen 2.943 N/A ALA 244.A N CYS 240.A O no hydrogen 2.974 N/A ALA 245.A N ARG 241.A O no hydrogen 2.847 N/A ALA 246.A N ALA 242.A O no hydrogen 3.001 N/A GLY 247.A N ILE 243.A O no hydrogen 3.017 N/A ARG 248.A N ALA 244.A O no hydrogen 2.874 N/A ARG 248.A NH1 GLU 202.A OE2 no hydrogen 3.028 N/A ARG 248.A NH2 GLU 202.A OE1 no hydrogen 3.092 N/A ARG 248.A NH2 GLU 202.A OE2 no hydrogen 3.378 N/A LYS 249.A N ALA 245.A O no hydrogen 2.861 N/A ARG 250.A N ALA 246.A O no hydrogen 3.021 N/A ARG 250.A NE ALA 176.A O no hydrogen 3.328 N/A LEU 251.A N GLY 247.A O no hydrogen 3.040 N/A GLU 252.A N ARG 248.A O no hydrogen 2.862 N/A THR 253.A N LYS 249.A O no hydrogen 2.877 N/A THR 253.A OG1 LYS 249.A O no hydrogen 2.937 N/A ARG 254.A N ARG 250.A O no hydrogen 2.973 N/A ARG 254.A NE GLU 258.A OE2 no hydrogen 2.784 N/A ARG 254.A NH1 SER 178.A OG no hydrogen 3.166 N/A ARG 254.A NH2 SER 178.A OG no hydrogen 2.855 N/A ARG 254.A NH2 GLU 258.A OE2 no hydrogen 3.180 N/A LEU 255.A N LEU 251.A O no hydrogen 2.863 N/A ALA 256.A N GLU 252.A O no hydrogen 3.013 N/A SER 257.A N THR 253.A O no hydrogen 3.018 N/A SER 257.A OG.A THR 253.A O no hydrogen 2.777 N/A SER 257.A OG.B ARG 254.A O no hydrogen 2.671 N/A GLU 258.A N ARG 254.A O no hydrogen 3.115 N/A GLU 258.A N LEU 255.A O no hydrogen 3.187 N/A LYS 259.A N ALA 256.A O no hydrogen 3.259 N/A