Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 9h17_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 5.A NE1 GLU 4.A OE2 no hydrogen 2.719 N/A GLN 6.A N GLY 34.A O no hydrogen 2.985 N/A ASN 8.A N THR 36.A O no hydrogen 2.741 N/A SER 10.A N ASN 8.A OD1 no hydrogen 3.094 N/A SER 10.A OG ASN 8.A OD1 no hydrogen 2.519 N/A TRP 11.A N ASN 8.A O no hydrogen 3.466 N/A TRP 11.A NE1 GLU 237.A OE2 no hydrogen 2.888 N/A ASN 12.A N LYS 9.A O no hydrogen 3.010 N/A ALA 13.A N SER 10.A O no hydrogen 3.212 N/A HIS 14.A N TRP 11.A O no hydrogen 2.912 N/A HIS 14.A NE2 GLN 236.A OE1 no hydrogen 2.734 N/A THR 16.A N ASN 12.A O no hydrogen 2.793 N/A THR 16.A OG1 ASN 12.A O no hydrogen 3.272 N/A GLU 17.A N ALA 13.A O no hydrogen 2.880 N/A HIS 18.A N PHE 15.A O no hydrogen 2.987 N/A HIS 18.A ND1 HIS 14.A O no hydrogen 2.854 N/A LYS 19.A N THR 16.A O no hydrogen 2.867 N/A SER 20.A N PHE 15.A O no hydrogen 3.011 N/A SER 20.A OG PHE 15.A O no hydrogen 3.136 N/A VAL 23.A N ASN 214.A O no hydrogen 2.834 N/A VAL 24.A N ASN 37.A OD1 no hydrogen 2.851 N/A VAL 25.A N ALA 212.A O no hydrogen 2.837 N/A LEU 26.A N PHE 35.A O no hydrogen 2.793 N/A TRP 27.A N PHE 210.A O no hydrogen 2.858 N/A ASN 28.A N GLN 33.A O no hydrogen 2.846 N/A GLU 29.A N VAL 208.A O no hydrogen 3.076 N/A ASN 30.A N ASN 207.A OD1 no hydrogen 2.942 N/A ASN 30.A ND2 ASP 206.A O no hydrogen 2.469 N/A LYS 31.A N ASN 28.A OD1 no hydrogen 3.005 N/A GLN 32.A N GLU 29.A O no hydrogen 3.340 N/A GLN 32.A NE2 GLU 29.A O no hydrogen 2.949 N/A GLN 33.A N ASN 28.A O no hydrogen 3.400 N/A GLN 33.A NE2 LYS 3.A O no hydrogen 2.924 N/A GLY 34.A N GLU 4.A O no hydrogen 2.700 N/A PHE 35.A N LEU 26.A O no hydrogen 2.859 N/A THR 36.A N GLN 6.A O no hydrogen 3.043 N/A THR 36.A OG1 VAL 24.A O no hydrogen 2.838 N/A ASN 37.A ND2 ASN 12.A OD1 no hydrogen 2.727 N/A ASN 37.A ND2 GLY 22.A O no hydrogen 3.145 N/A ASN 38.A N THR 36.A OG1 no hydrogen 3.291 N/A LEU 39.A N GLU 7.A OE2 no hydrogen 2.799 N/A ARG 41.A N ASN 38.A OD1 no hydrogen 3.010 N/A ARG 41.A NE ASN 214.A OD1 no hydrogen 2.832 N/A ARG 41.A NH1 ASP 216.A OD1 no hydrogen 2.861 N/A ARG 41.A NH2 ASN 214.A OD1 no hydrogen 3.012 N/A ARG 41.A NH2 ASP 216.A OD1 no hydrogen 2.953 N/A ALA 42.A N ASN 38.A O no hydrogen 2.853 N/A ASN 43.A N LYS 40.A O no hydrogen 3.024 N/A ASN 43.A ND2 LEU 39.A O no hydrogen 3.048 N/A GLN 44.A N ARG 41.A O no hydrogen 3.007 N/A PHE 46.A N ILE 144.A O no hydrogen 2.892 N/A ALA 49.A N TRP 137.A O no hydrogen 3.145 N/A SER 50.A OG SER 98.A OG no hydrogen 3.109 N/A THR 51.A N PRO 48.A O no hydrogen 3.108 N/A THR 51.A OG1 PRO 48.A O no hydrogen 2.663 N/A PHE 52.A N ALA 49.A O no hydrogen 2.894 N/A LYS 53.A N.B SER 50.A O no hydrogen 2.986 N/A LYS 53.A NZ.B SER 50.A OG no hydrogen 3.304 N/A LYS 53.A NZ.B SER 98.A OG no hydrogen 2.858 N/A LYS 53.A O.B SER 57.A OG no hydrogen 2.616 N/A ILE 54.A N THR 51.A O no hydrogen 3.191 N/A ASN 56.A N PHE 52.A O no hydrogen 2.959 N/A ASN 56.A ND2 TYR 103.A O no hydrogen 3.313 N/A SER 57.A N LYS 53.A O.B no hydrogen 3.028 N/A SER 57.A OG LYS 53.A O.B no hydrogen 2.616 N/A SER 57.A OG TYR 103.A OH no hydrogen 2.763 N/A LEU 58.A N ILE 54.A O no hydrogen 3.149 N/A ILE 59.A N PRO 55.A O no hydrogen 2.971 N/A ALA 60.A N ASN 56.A O no hydrogen 2.912 N/A LEU 61.A N SER 57.A O no hydrogen 2.954 N/A ASP 62.A N LEU 58.A O no hydrogen 2.977 N/A LEU 63.A N ILE 59.A O no hydrogen 3.024 N/A GLY 64.A N LEU 61.A O no hydrogen 3.058 N/A VAL 66.A N ALA 60.A O no hydrogen 3.084 N/A LYS 67.A N GLN 71.A OE1 no hydrogen 2.715 N/A GLU 69.A N GLU 69.A OE1 no hydrogen 2.652 N/A HIS 70.A N ASP 68.A OD1 no hydrogen 2.828 N/A GLN 71.A N ASP 68.A O no hydrogen 3.436 N/A PHE 73.A N HIS 89.A O no hydrogen 2.704 N/A TRP 75.A N ASP 88.A OD1 no hydrogen 2.906 N/A TRP 75.A NE1 GLN 78.A O no hydrogen 2.913 N/A GLN 78.A N ASP 76.A OD1 no hydrogen 2.968 N/A ARG 80.A N ASN 86.A OD1 no hydrogen 2.855 N/A ARG 80.A NH1 ASP 76.A OD1 no hydrogen 2.958 N/A ARG 80.A NH1 ASP 76.A OD2 no hydrogen 3.404 N/A ARG 80.A NH2 ASP 76.A OD2 no hydrogen 2.725 N/A TRP 85.A N ILE 82.A O no hydrogen 2.936 N/A TRP 85.A NE1 TYR 97.A O no hydrogen 3.017 N/A ASN 86.A N ALA 83.A O no hydrogen 3.052 N/A ASN 86.A ND2 ARG 80.A O no hydrogen 3.009 N/A HIS 89.A N PHE 73.A O no hydrogen 3.156 N/A HIS 89.A ND1 THR 93.A OG1 no hydrogen 2.802 N/A HIS 89.A NE2 THR 84.A O no hydrogen 2.733 N/A ASN 90.A N THR 93.A OG1 no hydrogen 3.130 N/A THR 93.A N ASN 90.A OD1 no hydrogen 2.845 N/A THR 93.A OG1 HIS 89.A ND1 no hydrogen 2.802 N/A THR 93.A OG1 ASN 90.A O no hydrogen 3.459 N/A THR 93.A OG1 ASN 90.A OD1 no hydrogen 3.411 N/A ALA 94.A N ASN 90.A O no hydrogen 2.774 N/A MET 95.A N.A LEU 91.A O no hydrogen 3.002 N/A MET 95.A N.B LEU 91.A O no hydrogen 2.976 N/A LYS 96.A N ILE 92.A O no hydrogen 2.984 N/A LYS 96.A NZ TYR 97.A OH no hydrogen 3.543 N/A TYR 97.A N THR 93.A O no hydrogen 2.920 N/A SER 98.A N MET 95.A O.A no hydrogen 3.248 N/A SER 98.A N MET 95.A O.B no hydrogen 3.061 N/A SER 98.A OG SER 50.A OG no hydrogen 3.109 N/A VAL 99.A N ALA 94.A O no hydrogen 2.883 N/A VAL 102.A N VAL 99.A O no hydrogen 3.134 N/A TYR 103.A N VAL 99.A O no hydrogen 3.376 N/A TYR 103.A OH SER 57.A OG no hydrogen 2.763 N/A GLN 104.A N VAL 100.A O no hydrogen 2.838 N/A GLN 104.A NE2 ASP 134.A O no hydrogen 2.896 N/A GLU 105.A N PRO 101.A O no hydrogen 3.142 N/A PHE 106.A N VAL 102.A O no hydrogen 3.012 N/A ALA 107.A N TYR 103.A O no hydrogen 2.954 N/A ARG 108.A N GLN 104.A O no hydrogen 2.996 N/A ARG 108.A NH1 ASP 134.A OD2 no hydrogen 2.908 N/A ARG 108.A NH2 GLU 105.A OE1 no hydrogen 2.744 N/A GLN 109.A N GLU 105.A O no hydrogen 3.107 N/A GLN 109.A NE2 GLU 105.A OE2 no hydrogen 2.761 N/A ILE 110.A N PHE 106.A O no hydrogen 2.830 N/A GLY 111.A N ALA 107.A O no hydrogen 2.876 N/A ARG 114.A NE ILE 110.A O no hydrogen 2.886 N/A ARG 114.A NH2 GLN 109.A O no hydrogen 2.918 N/A ARG 114.A NH2 ILE 110.A O no hydrogen 3.401 N/A MET 115.A N GLY 111.A O no hydrogen 2.913 N/A SER 116.A N.A GLU 112.A O no hydrogen 2.914 N/A SER 116.A N.B GLU 112.A O no hydrogen 2.920 N/A SER 116.A OG.B GLU 112.A O no hydrogen 3.120 N/A SER 116.A OG.B ALA 113.A O no hydrogen 3.026 N/A LYS 117.A N ALA 113.A O no hydrogen 3.134 N/A MET 118.A N ARG 114.A O no hydrogen 2.919 N/A LEU 119.A N MET 115.A O no hydrogen 2.960 N/A HIS 120.A N SER 116.A O.A no hydrogen 3.015 N/A HIS 120.A N SER 116.A O.B no hydrogen 3.038 N/A HIS 120.A ND1 GLU 127.A OE1 no hydrogen 2.927 N/A ALA 121.A N LYS 117.A O no hydrogen 2.993 N/A PHE 122.A N MET 118.A O no hydrogen 2.827 N/A ASP 123.A N HIS 120.A O no hydrogen 2.973 N/A TYR 124.A N LEU 119.A O no hydrogen 3.101 N/A ASN 126.A N ARG 143.A O no hydrogen 2.943 N/A ASN 126.A ND2 GLY 141.A O no hydrogen 3.061 N/A GLU 127.A N TYR 124.A O no hydrogen 2.982 N/A ASP 128.A N ASN 126.A OD1 no hydrogen 3.274 N/A SER 130.A N ASP 128.A OD1 no hydrogen 2.827 N/A SER 130.A OG ASP 128.A OD1 no hydrogen 3.171 N/A SER 130.A OG ASP 128.A OD2 no hydrogen 3.533 N/A SER 135.A N ASN 132.A O no hydrogen 3.027 N/A SER 135.A OG ASP 139.A OD1 no hydrogen 2.955 N/A LEU 138.A N.B SER 135.A O no hydrogen 2.876 N/A ASP 139.A N SER 135.A O no hydrogen 2.894 N/A GLY 140.A N PHE 136.A O no hydrogen 2.940 N/A ARG 143.A N ASN 126.A OD1 no hydrogen 2.968 N/A ARG 143.A NH1 GLY 140.A O no hydrogen 2.877 N/A ARG 143.A NH1 ILE 142.A O no hydrogen 2.922 N/A ILE 144.A N PHE 46.A O no hydrogen 2.824 N/A SER 145.A N GLU 148.A OE1 no hydrogen 2.956 N/A SER 145.A OG THR 147.A OG1 no hydrogen 3.304 N/A THR 147.A N ALA 42.A O no hydrogen 3.001 N/A THR 147.A OG1 ASN 43.A OD1 no hydrogen 2.830 N/A THR 147.A OG1 SER 145.A OG no hydrogen 3.304 N/A GLU 148.A N SER 145.A OG no hydrogen 3.101 N/A GLN 149.A N SER 145.A O no hydrogen 2.854 N/A GLN 149.A NE2 THR 51.A OG1 no hydrogen 3.055 N/A ILE 150.A N ALA 146.A O no hydrogen 3.025 N/A SER 151.A N THR 147.A O no hydrogen 2.977 N/A PHE 152.A N GLU 148.A O no hydrogen 2.973 N/A LEU 153.A N GLN 149.A O no hydrogen 2.825 N/A ARG 154.A N ILE 150.A O no hydrogen 2.811 N/A ARG 154.A NE GLU 29.A OE1 no hydrogen 2.736 N/A ARG 154.A NH2 GLU 29.A OE1 no hydrogen 3.274 N/A ARG 154.A NH2 GLU 29.A OE2 no hydrogen 2.863 N/A LYS 155.A N SER 151.A O no hydrogen 3.163 N/A LEU 156.A N PHE 152.A O no hydrogen 3.010 N/A TYR 157.A N LEU 153.A O no hydrogen 2.790 N/A HIS 158.A N ARG 154.A O no hydrogen 3.081 N/A HIS 158.A NE2 GLU 29.A OE2 no hydrogen 2.784 N/A ASN 159.A N LEU 156.A O no hydrogen 3.053 N/A LYS 160.A N LYS 155.A O no hydrogen 2.847 N/A LEU 161.A N GLN 168.A OE1 no hydrogen 3.060 N/A VAL 163.A N LEU 161.A O no hydrogen 2.807 N/A SER 164.A N ASP 62.A OD1 no hydrogen 2.765 N/A SER 164.A OG ASP 62.A OD1 no hydrogen 2.997 N/A SER 164.A OG SER 167.A OG no hydrogen 3.048 N/A ARG 166.A NH2 LYS 67.A O no hydrogen 2.838 N/A SER 167.A N SER 164.A OG no hydrogen 2.977 N/A SER 167.A OG ASP 62.A OD1 no hydrogen 2.898 N/A SER 167.A OG SER 164.A OG no hydrogen 3.048 N/A GLN 168.A N SER 164.A O no hydrogen 3.214 N/A GLN 168.A NE2 VAL 163.A O no hydrogen 3.158 N/A GLN 168.A NE2 SER 164.A O no hydrogen 3.332 N/A ARG 169.A N GLU 165.A O no hydrogen 2.839 N/A ARG 169.A NE GLU 165.A OE2 no hydrogen 2.784 N/A ARG 169.A NH2 GLU 165.A OE2 no hydrogen 3.155 N/A ILE 170.A N ARG 166.A O no hydrogen 2.953 N/A VAL 171.A N SER 167.A O no hydrogen 3.074 N/A LYS 172.A N GLN 168.A O no hydrogen 3.009 N/A LYS 172.A NZ LEU 156.A O no hydrogen 3.035 N/A LYS 172.A NZ TYR 157.A O no hydrogen 3.123 N/A LYS 172.A NZ ASN 159.A OD1 no hydrogen 2.765 N/A GLN 173.A N ARG 169.A O no hydrogen 2.979 N/A ALA 174.A N ILE 170.A O no hydrogen 2.905 N/A MET 175.A N VAL 171.A O no hydrogen 2.889 N/A LEU 176.A N GLN 173.A O no hydrogen 3.034 N/A THR 177.A N ILE 185.A O no hydrogen 2.843 N/A THR 177.A OG1 MET 175.A O no hydrogen 3.019 N/A GLU 178.A N ILE 185.A O no hydrogen 3.267 N/A ASN 180.A N TYR 183.A O no hydrogen 2.954 N/A ASP 182.A N ASN 180.A OD1 no hydrogen 2.709 N/A TYR 183.A N ASN 180.A OD1 no hydrogen 2.989 N/A TYR 183.A OH GLU 178.A OE2 no hydrogen 2.869 N/A ILE 184.A N GLU 203.A O no hydrogen 3.093 N/A ILE 185.A N GLU 178.A O no hydrogen 2.785 N/A ARG 186.A N TRP 201.A O no hydrogen 3.123 N/A ARG 186.A NE GLU 203.A OE2 no hydrogen 2.860 N/A ARG 186.A NH1 LYS 172.A O no hydrogen 2.928 N/A ALA 187.A N MET 175.A O no hydrogen 2.931 N/A LYS 188.A N VAL 199.A O no hydrogen 2.824 N/A LYS 188.A NZ SER 98.A OG no hydrogen 2.820 N/A LYS 188.A NZ THR 189.A O no hydrogen 2.974 N/A GLY 190.A N TRP 197.A O no hydrogen 3.049 N/A SER 192.A N ILE 195.A O no hydrogen 2.874 N/A ILE 195.A N SER 192.A O no hydrogen 3.081 N/A GLY 196.A N MET 215.A O no hydrogen 2.887 N/A TRP 197.A N GLY 190.A O no hydrogen 2.774 N/A TRP 197.A NE1 LEU 47.A O no hydrogen 2.830 N/A TRP 198.A N MET 213.A O no hydrogen 2.968 N/A VAL 199.A N LYS 188.A O no hydrogen 3.106 N/A GLY 200.A N PHE 211.A O no hydrogen 2.931 N/A TRP 201.A N ARG 186.A O no hydrogen 2.841 N/A TRP 201.A NE1 GLU 203.A OE2 no hydrogen 2.979 N/A VAL 202.A N TRP 209.A O no hydrogen 2.781 N/A GLU 203.A N ILE 184.A O no hydrogen 2.740 N/A LEU 204.A N ASN 207.A O no hydrogen 2.884 N/A ASN 207.A ND2 ASN 28.A OD1 no hydrogen 2.894 N/A VAL 208.A N ASN 207.A OD1 no hydrogen 2.877 N/A TRP 209.A N VAL 202.A O no hydrogen 2.923 N/A PHE 210.A N TRP 27.A O no hydrogen 2.921 N/A PHE 211.A N GLY 200.A O no hydrogen 2.860 N/A ALA 212.A N VAL 25.A O no hydrogen 2.930 N/A MET 213.A N TRP 198.A O no hydrogen 2.854 N/A ASN 214.A N VAL 23.A O no hydrogen 3.054 N/A MET 215.A N GLY 196.A O no hydrogen 2.925 N/A ASP 216.A N GLN 21.A O no hydrogen 2.865 N/A MET 217.A N.A LYS 194.A O no hydrogen 2.908 N/A MET 217.A N.B LYS 194.A O no hydrogen 2.906 N/A THR 219.A OG1 ASP 221.A OD1 no hydrogen 3.499 N/A LEU 225.A N GLY 222.A O no hydrogen 3.020 N/A ARG 226.A N LEU 223.A O no hydrogen 3.131 N/A ARG 226.A NE LEU 223.A O no hydrogen 2.823 N/A ARG 226.A NH1 GLY 190.A O no hydrogen 2.793 N/A GLN 227.A N GLN 227.A OE1 no hydrogen 2.791 N/A ALA 228.A N GLY 224.A O no hydrogen 3.089 N/A ILE 229.A N LEU 225.A O no hydrogen 2.864 N/A THR 230.A N ARG 226.A O no hydrogen 3.365 N/A THR 230.A OG1 ARG 226.A O no hydrogen 2.646 N/A LYS 231.A N GLN 227.A O no hydrogen 2.839 N/A LYS 231.A NZ GLU 178.A OE1 no hydrogen 2.844 N/A GLU 232.A N ALA 228.A O no hydrogen 3.031 N/A VAL 233.A N ILE 229.A O no hydrogen 3.194 N/A LEU 234.A N THR 230.A O no hydrogen 2.939 N/A LYS 235.A N LYS 231.A O no hydrogen 2.791 N/A GLN 236.A N GLU 232.A O no hydrogen 2.884 N/A GLN 236.A NE2 SER 10.A OG no hydrogen 3.027 N/A GLU 237.A N VAL 233.A O no hydrogen 2.933 N/A LYS 238.A N LYS 235.A O no hydrogen 3.003 N/A ILE 239.A N LEU 234.A O no hydrogen 2.840 N/A ILE 240.A N LEU 234.A O no hydrogen 3.502 N/A