Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5him_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 6.A N HIS 2.A O no hydrogen 3.187 N/A TYR 7.A N TYR 3.A O no hydrogen 2.769 N/A VAL 8.A N GLU 4.A O no hydrogen 3.158 N/A LEU 9.A N GLU 5.A O no hydrogen 2.877 N/A GLY 10.A N GLU 6.A O no hydrogen 2.977 N/A PHE 11.A N TYR 7.A O no hydrogen 3.104 N/A VAL 12.A N VAL 8.A O no hydrogen 3.066 N/A ASP 13.A N LEU 9.A O no hydrogen 3.187 N/A LYS 14.A N GLY 10.A O no hydrogen 3.118 N/A LYS 14.A NZ GLU 17.A OE1 no hydrogen 2.716 N/A LYS 14.A NZ ASP 188.A OD2 no hydrogen 2.721 N/A TRP 15.A N PHE 11.A O no hydrogen 2.951 N/A ASP 16.A N VAL 12.A O no hydrogen 2.974 N/A GLU 17.A N ASP 13.A O no hydrogen 2.766 N/A LEU 18.A N LYS 14.A O no hydrogen 3.050 N/A ILE 19.A N TRP 15.A O no hydrogen 2.870 N/A TRP 21.A NE1 ASP 16.A OD1 no hydrogen 3.180 N/A SER 23.A N ASP 20.A OD2 no hydrogen 3.074 N/A SER 23.A OG ASP 20.A OD1 no hydrogen 3.050 N/A ARG 24.A N ASP 20.A O no hydrogen 3.267 N/A ALA 25.A N TRP 21.A O no hydrogen 2.770 N/A GLU 26.A N GLU 22.A O no hydrogen 3.005 N/A SER 27.A N SER 23.A O no hydrogen 3.088 N/A SER 27.A OG SER 23.A O no hydrogen 3.041 N/A GLU 28.A N ARG 24.A O no hydrogen 2.925 N/A GLY 29.A N ALA 25.A O no hydrogen 3.103 N/A ASN 34.A N ASP 30.A O no hydrogen 2.864 N/A ILE 35.A N THR 31.A O no hydrogen 2.908 N/A LEU 36.A N ILE 32.A O no hydrogen 3.105 N/A LYS 37.A N ILE 33.A O no hydrogen 2.878 N/A GLU 38.A N ASN 34.A O no hydrogen 2.894 N/A ARG 39.A N LEU 36.A O no hydrogen 3.156 N/A ARG 39.A NH2 ASP 140.A O no hydrogen 3.046 N/A GLY 40.A N LYS 37.A O no hydrogen 2.863 N/A VAL 41.A N LEU 36.A O no hydrogen 3.075 N/A LYS 42.A N ASP 108.A OD2 no hydrogen 2.809 N/A LYS 43.A N ASP 108.A OD2 no hydrogen 2.876 N/A LYS 43.A NZ ASP 105.A OD2 no hydrogen 3.000 N/A VAL 44.A N ASP 64.A O no hydrogen 2.844 N/A LEU 45.A N ALA 109.A O no hydrogen 2.919 N/A ASP 46.A N VAL 66.A O no hydrogen 2.825 N/A VAL 47.A N VAL 111.A O no hydrogen 3.081 N/A ALA 48.A N ASP 46.A OD1 no hydrogen 2.907 N/A THR 49.A N ALA 68.A O no hydrogen 3.073 N/A THR 49.A OG1 ASP 46.A O no hydrogen 3.475 N/A THR 49.A OG1 ALA 68.A O no hydrogen 2.933 N/A GLY 50.A N ASP 69.A OD2 no hydrogen 2.866 N/A THR 51.A OG1 ASP 16.A OD2 no hydrogen 2.692 N/A GLY 52.A N THR 49.A O no hydrogen 2.792 N/A SER 55.A OG ASP 46.A OD2 no hydrogen 2.672 N/A SER 55.A OG SER 67.A OG no hydrogen 2.824 N/A VAL 56.A N GLY 52.A O no hydrogen 2.863 N/A ARG 57.A N PHE 53.A O no hydrogen 2.930 N/A ARG 57.A NE GLU 28.A OE1 no hydrogen 2.643 N/A ARG 57.A NH2 GLU 28.A OE1 no hydrogen 2.630 N/A ARG 57.A NH2 ASP 30.A OD1 no hydrogen 3.137 N/A LEU 58.A N ASN 54.A O no hydrogen 2.986 N/A LEU 59.A N SER 55.A O no hydrogen 2.798 N/A GLN 60.A N VAL 56.A O no hydrogen 2.897 N/A ALA 61.A N ARG 57.A O no hydrogen 3.073 N/A ALA 61.A N LEU 58.A O no hydrogen 3.045 N/A GLY 62.A N LEU 58.A O no hydrogen 3.116 N/A GLY 62.A N LEU 59.A O no hydrogen 2.989 N/A PHE 63.A N LEU 58.A O no hydrogen 3.064 N/A ASP 64.A N LYS 42.A O no hydrogen 3.092 N/A VAL 66.A N VAL 44.A O no hydrogen 2.896 N/A SER 67.A N ARG 90.A O no hydrogen 2.857 N/A SER 67.A OG SER 55.A OG no hydrogen 2.824 N/A ALA 68.A N ASP 46.A O no hydrogen 2.735 N/A ASP 69.A N VAL 92.A O no hydrogen 3.234 N/A SER 71.A N ASP 69.A OD1 no hydrogen 2.847 N/A MET 74.A N SER 71.A OG no hydrogen 3.156 N/A LEU 75.A N SER 71.A O no hydrogen 3.201 N/A VAL 76.A N ALA 72.A O no hydrogen 2.984 N/A LYS 77.A N GLU 73.A O no hydrogen 3.294 N/A LYS 77.A NZ ASP 13.A OD1 no hydrogen 2.678 N/A LYS 77.A NZ ASP 13.A OD2 no hydrogen 3.023 N/A ALA 78.A N MET 74.A O no hydrogen 2.767 N/A PHE 79.A N LEU 75.A O no hydrogen 2.870 N/A ASP 80.A N VAL 76.A O no hydrogen 3.183 N/A ASN 81.A N LYS 77.A O no hydrogen 2.915 N/A ASN 81.A ND2 THR 51.A O no hydrogen 2.966 N/A ALA 82.A N ALA 78.A O no hydrogen 2.855 N/A ARG 83.A N PHE 79.A O no hydrogen 2.855 N/A ARG 83.A NE ASP 84.A OD1 no hydrogen 3.307 N/A ASP 84.A N ASP 80.A O no hydrogen 2.921 N/A HIS 85.A N ASN 81.A O no hydrogen 3.173 N/A HIS 85.A N ALA 82.A O no hydrogen 2.951 N/A HIS 85.A ND1 ASN 81.A O no hydrogen 2.808 N/A GLY 86.A N ARG 83.A O no hydrogen 2.941 N/A TYR 87.A N ALA 82.A O no hydrogen 2.970 N/A VAL 92.A N SER 67.A O no hydrogen 2.971 N/A GLN 93.A NE2 GLY 70.A O no hydrogen 2.903 N/A ALA 94.A N ASP 69.A O no hydrogen 3.010 N/A TRP 96.A NE1 VAL 47.A O no hydrogen 2.665 N/A ARG 97.A N ASP 95.A OD1 no hydrogen 3.100 N/A ARG 97.A NE ASP 95.A OD1 no hydrogen 2.551 N/A ARG 97.A NH1 ASP 125.A OD2 no hydrogen 3.094 N/A ARG 97.A NH2 ASP 95.A OD1 no hydrogen 3.209 N/A ARG 97.A NH2 ASP 95.A OD2 no hydrogen 2.780 N/A TRP 98.A N ASP 95.A O no hydrogen 2.957 N/A ASN 100.A N GLU 132.A OE1 no hydrogen 3.435 N/A LYS 101.A N TRP 98.A O no hydrogen 3.375 N/A LYS 106.A N ASP 105.A OD1 no hydrogen 2.786 N/A PHE 107.A N LEU 136.A O no hydrogen 2.830 N/A ASP 108.A N LYS 43.A O no hydrogen 2.957 N/A ALA 109.A N LYS 43.A O no hydrogen 3.177 N/A ILE 110.A N VAL 142.A O no hydrogen 2.894 N/A VAL 111.A N LEU 45.A O no hydrogen 2.982 N/A CYS 112.A N LEU 144.A O no hydrogen 2.790 N/A GLY 114.A N ASP 146.A OD2 no hydrogen 2.816 N/A ASN 115.A N ASP 146.A OD1 no hydrogen 2.695 N/A ASN 115.A ND2 TYR 150.A OH no hydrogen 3.074 N/A SER 116.A OG LEU 113.A O no hydrogen 2.724 N/A THR 118.A OG1 TYR 150.A OH no hydrogen 2.913 N/A THR 118.A OG1 PHE 197.A O no hydrogen 2.627 N/A HIS 119.A N SER 116.A O no hydrogen 2.923 N/A LEU 120.A N PHE 117.A O no hydrogen 3.229 N/A ASP 125.A N ASP 122.A OD2 no hydrogen 3.056 N/A ARG 126.A N ASP 122.A O no hydrogen 3.111 N/A ARG 126.A NE LEU 120.A O no hydrogen 3.366 N/A ARG 126.A NH1 TYR 203.A OH no hydrogen 2.869 N/A ARG 126.A NH2 LEU 120.A O no hydrogen 3.134 N/A ARG 127.A N GLU 123.A O no hydrogen 2.998 N/A ARG 127.A NH1 GLU 210.A OE1 no hydrogen 2.571 N/A ARG 127.A NH2 GLU 123.A OE1 no hydrogen 3.201 N/A ARG 127.A NH2 GLU 210.A OE1 no hydrogen 3.332 N/A LYS 128.A N GLY 124.A O no hydrogen 2.986 N/A ALA 129.A N ASP 125.A O no hydrogen 2.886 N/A LEU 130.A N ARG 126.A O no hydrogen 3.048 N/A ALA 131.A N ARG 127.A O no hydrogen 2.872 N/A GLU 132.A N LYS 128.A O no hydrogen 2.802 N/A PHE 133.A N ALA 129.A O no hydrogen 2.937 N/A TYR 134.A N LEU 130.A O no hydrogen 2.823 N/A ALA 135.A N ALA 131.A O no hydrogen 2.992 N/A LEU 136.A N GLU 132.A O no hydrogen 3.227 N/A LEU 136.A N PHE 133.A O no hydrogen 3.018 N/A LEU 137.A N TYR 134.A O no hydrogen 3.355 N/A LYS 138.A N PHE 107.A O no hydrogen 2.925 N/A LYS 138.A NZ ASP 108.A OD1 no hydrogen 3.175 N/A ASP 140.A N ASP 140.A OD1 no hydrogen 2.507 N/A GLY 141.A N LYS 138.A O no hydrogen 2.722 N/A VAL 142.A N ASP 108.A O no hydrogen 3.035 N/A LEU 143.A N ALA 238.A O no hydrogen 2.820 N/A LEU 144.A N ILE 110.A O no hydrogen 2.796 N/A LEU 145.A N HIS 236.A O no hydrogen 2.970 N/A ASP 146.A N CYS 112.A O no hydrogen 3.160 N/A GLN 147.A N PHE 234.A O no hydrogen 2.985 N/A GLN 147.A NE2 ARG 148.A O no hydrogen 3.213 N/A GLN 147.A NE2 LEU 199.A O no hydrogen 2.798 N/A ARG 148.A N ASN 115.A OD1 no hydrogen 3.055 N/A ARG 148.A NH1 TYR 163.A OH no hydrogen 2.811 N/A ASN 149.A N ASP 232.A O no hydrogen 2.672 N/A ASN 149.A ND2 GLU 230.A OE1 no hydrogen 3.246 N/A ASN 149.A ND2 PRO 231.A O no hydrogen 2.780 N/A TYR 150.A OH THR 118.A OG1 no hydrogen 2.913 N/A ALA 152.A N ASN 149.A OD1 no hydrogen 3.121 N/A LEU 154.A N TYR 150.A O no hydrogen 2.888 N/A ASP 155.A N ASP 151.A O no hydrogen 3.053 N/A ASP 156.A N ALA 152.A O no hydrogen 3.358 N/A HIS 159.A N SER 157.A O no hydrogen 2.860 N/A HIS 159.A NE2 GLU 228.A OE2 no hydrogen 2.398 N/A HIS 161.A N VAL 170.A O no hydrogen 2.895 N/A HIS 161.A ND1 GLU 224.A OE2 no hydrogen 2.761 N/A TYR 163.A N VAL 168.A O no hydrogen 2.850 N/A TYR 163.A OH ASP 232.A OD2 no hydrogen 2.517 N/A THR 167.A N CYS 164.A O no hydrogen 3.026 N/A THR 167.A OG1 CYS 164.A O no hydrogen 2.797 N/A VAL 168.A N TYR 163.A O no hydrogen 3.364 N/A SER 169.A N GLU 185.A O no hydrogen 2.882 N/A VAL 170.A N HIS 161.A O no hydrogen 2.652 N/A TYR 171.A N LYS 183.A O no hydrogen 2.931 N/A GLU 173.A N ARG 181.A O no hydrogen 2.809 N/A HIS 174.A N ARG 181.A O no hydrogen 3.387 N/A HIS 174.A NE2 ASP 176.A OD2 no hydrogen 2.755 N/A ASP 176.A N LEU 179.A O no hydrogen 2.780 N/A GLY 178.A N ASP 176.A OD1 no hydrogen 2.800 N/A LEU 179.A N ASP 176.A O no hydrogen 3.319 N/A ALA 180.A N MET 196.A O no hydrogen 2.923 N/A ARG 181.A N HIS 174.A O no hydrogen 2.684 N/A ARG 181.A NE GLU 173.A OE1 no hydrogen 3.200 N/A PHE 182.A N LEU 194.A O no hydrogen 2.939 N/A LYS 183.A N TYR 171.A O no hydrogen 2.766 N/A TYR 184.A N TYR 192.A O no hydrogen 2.692 N/A GLU 185.A N SER 169.A O no hydrogen 2.994 N/A PHE 186.A N SER 190.A O no hydrogen 2.850 N/A GLY 189.A N PHE 186.A O no hydrogen 3.017 N/A SER 190.A N ASP 188.A OD1 no hydrogen 2.964 N/A SER 190.A OG ASP 188.A OD1 no hydrogen 2.642 N/A SER 190.A OG ASP 188.A OD2 no hydrogen 3.143 N/A TYR 192.A N TYR 184.A O no hydrogen 2.831 N/A ASN 193.A N TYR 7.A OH no hydrogen 2.996 N/A ASN 193.A ND2 GLU 173.A OE1 no hydrogen 2.842 N/A LEU 194.A N PHE 182.A O no hydrogen 2.943 N/A MET 196.A N ALA 180.A O no hydrogen 2.936 N/A PHE 197.A N THR 118.A O no hydrogen 2.827 N/A LEU 199.A N PHE 197.A O no hydrogen 2.932 N/A ARG 200.A NH1 ASP 151.A OD2 no hydrogen 3.115 N/A ARG 200.A NH1 ASP 155.A OD1 no hydrogen 3.205 N/A ARG 200.A NH1 ASP 155.A OD2 no hydrogen 3.563 N/A ARG 200.A NH2 ASP 155.A OD1 no hydrogen 3.113 N/A LYS 201.A N ASP 151.A OD1 no hydrogen 2.797 N/A TYR 203.A OH GLU 123.A OE2 no hydrogen 2.663 N/A THR 204.A N ARG 200.A O no hydrogen 3.087 N/A THR 204.A OG1 GLN 147.A OE1 no hydrogen 2.693 N/A THR 204.A OG1 ARG 200.A O no hydrogen 3.269 N/A ARG 205.A N LYS 201.A O no hydrogen 3.113 N/A ARG 205.A NH1 ILE 216.A O no hydrogen 2.940 N/A ARG 205.A NH1 THR 218.A OG1 no hydrogen 2.802 N/A ARG 205.A NH2 ILE 216.A O no hydrogen 3.358 N/A GLN 206.A N ASP 202.A O no hydrogen 2.885 N/A LEU 207.A N TYR 203.A O no hydrogen 3.032 N/A LEU 208.A N THR 204.A O no hydrogen 3.043 N/A HIS 209.A N ARG 205.A O no hydrogen 3.060 N/A GLU 210.A N GLN 206.A O no hydrogen 2.898 N/A VAL 211.A N LEU 207.A O no hydrogen 3.128 N/A GLY 212.A N HIS 209.A O no hydrogen 3.209 N/A PHE 213.A N LEU 208.A O no hydrogen 3.120 N/A GLN 214.A N GLU 239.A O no hydrogen 2.973 N/A GLU 215.A N GLU 239.A O no hydrogen 3.410 N/A ASN 217.A N VAL 237.A O no hydrogen 2.906 N/A THR 218.A OG1 HIS 236.A ND1 no hydrogen 2.879 N/A LEU 219.A N LEU 235.A O no hydrogen 2.764 N/A ASP 221.A N PHE 233.A O no hydrogen 2.838 N/A LYS 223.A N ASP 232.A OD1 no hydrogen 2.795 N/A LYS 223.A NZ ASP 221.A OD2 no hydrogen 2.842 N/A THR 225.A N TYR 162.A O no hydrogen 2.821 N/A THR 225.A OG1 TYR 162.A O no hydrogen 3.180 N/A THR 225.A OG1 GLY 165.A O no hydrogen 2.592 N/A TYR 226.A OH ASP 166.A OD1 no hydrogen 2.549 N/A LYS 227.A NZ GLU 224.A O no hydrogen 2.752 N/A ASP 232.A N ASP 232.A OD1 no hydrogen 2.579 N/A PHE 233.A N ASP 221.A O no hydrogen 2.998 N/A PHE 234.A N GLN 147.A O no hydrogen 2.829 N/A LEU 235.A N LEU 219.A O no hydrogen 2.826 N/A HIS 236.A N LEU 145.A O no hydrogen 2.707 N/A HIS 236.A ND1 THR 218.A OG1 no hydrogen 2.879 N/A HIS 236.A NE2 GLN 147.A OE1 no hydrogen 2.713 N/A VAL 237.A N ASN 217.A O no hydrogen 2.747 N/A ALA 238.A N LEU 143.A O no hydrogen 2.888 N/A GLU 239.A N GLU 215.A O no hydrogen 2.784 N/A LYS 240.A N GLY 141.A O no hydrogen 3.195 N/A LYS 240.A NZ TYR 134.A O no hydrogen 2.978 N/A LYS 240.A NZ LEU 137.A O no hydrogen 2.854 N/A ASN 241.A ND2 HIS 139.A O no hydrogen 2.847 N/A