Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6whl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A N SER 213.A OG no hydrogen 3.358 N/A ASP 2.A N ALA 211.A O no hydrogen 3.387 N/A CYS 4.A N HIS 209.A O no hydrogen 3.048 N/A PHE 5.A N GLU 17.A O no hydrogen 2.747 N/A LEU 6.A N ALA 207.A O no hydrogen 2.940 N/A ALA 7.A N LYS 15.A O no hydrogen 3.066 N/A LYS 8.A N THR 205.A O no hydrogen 2.930 N/A GLU 9.A N THR 12.A O no hydrogen 2.832 N/A THR 12.A N GLU 9.A O no hydrogen 2.896 N/A LEU 14.A N ALA 7.A O no hydrogen 2.857 N/A LYS 15.A N ALA 7.A O no hydrogen 3.271 N/A LYS 15.A NZ GLU 238.A OE1 no hydrogen 2.857 N/A LYS 15.A NZ GLU 238.A OE2 no hydrogen 3.437 N/A GLU 17.A N PHE 5.A O no hydrogen 2.766 N/A ASP 20.A N THR 3.A O no hydrogen 3.222 N/A GLN 23.A N ASP 20.A O no hydrogen 3.238 N/A GLN 23.A NE2 ARG 24.A O no hydrogen 2.996 N/A ARG 24.A NE GLU 132.A OE1 no hydrogen 2.901 N/A ARG 24.A NH2 GLU 132.A OE2 no hydrogen 2.614 N/A TYR 25.A N ILE 128.A O no hydrogen 2.811 N/A TYR 25.A OH ASP 20.A OD2 no hydrogen 2.429 N/A ALA 28.A N SER 26.A OG no hydrogen 3.255 N/A SER 29.A OG SER 77.A OG no hydrogen 3.134 N/A THR 30.A N PRO 27.A O no hydrogen 3.001 N/A THR 30.A OG1 PRO 27.A O no hydrogen 2.715 N/A PHE 31.A N ALA 28.A O no hydrogen 3.243 N/A LEU 34.A N PHE 31.A O no hydrogen 2.870 N/A SER 35.A OG THR 154.A OG1 no hydrogen 2.583 N/A LEU 36.A N ILE 32.A O no hydrogen 3.226 N/A PHE 38.A N SER 35.A O no hydrogen 3.023 N/A ASP 39.A N LEU 36.A O no hydrogen 3.034 N/A SER 40.A OG GLY 37.A O no hydrogen 3.170 N/A LEU 43.A N GLY 37.A O no hydrogen 3.077 N/A LYS 44.A N HIS 48.A O no hydrogen 2.952 N/A LYS 44.A NZ GLY 41.A O no hydrogen 2.867 N/A ASP 45.A N HIS 48.A O no hydrogen 3.090 N/A LEU 47.A N ASP 45.A OD1 no hydrogen 2.905 N/A HIS 48.A N ASP 45.A O no hydrogen 3.325 N/A HIS 48.A ND1 ASP 45.A OD1 no hydrogen 2.880 N/A TRP 51.A N GLN 68.A O no hydrogen 2.804 N/A TYR 53.A OH TYR 57.A O no hydrogen 3.150 N/A TYR 57.A N LYS 54.A O no hydrogen 3.071 N/A TRP 64.A N LEU 61.A O no hydrogen 2.958 N/A TRP 64.A NE1 ASP 76.A O no hydrogen 2.942 N/A LYS 65.A N ASN 62.A O no hydrogen 3.075 N/A GLN 68.A N TRP 51.A O no hydrogen 3.090 N/A GLN 68.A NE2 TYR 66.A O no hydrogen 3.625 N/A GLN 68.A NE2 ASP 76.A OD2 no hydrogen 3.227 N/A ASN 69.A N THR 72.A OG1 no hydrogen 2.964 N/A HIS 71.A N GLU 46.A O no hydrogen 2.960 N/A THR 72.A N ASN 69.A OD1 no hydrogen 2.926 N/A THR 72.A OG1 GLN 68.A OE1 no hydrogen 2.559 N/A THR 72.A OG1 ASN 69.A O no hydrogen 3.103 N/A THR 72.A OG1 ASN 69.A OD1 no hydrogen 3.486 N/A TRP 73.A N ASN 69.A O no hydrogen 2.754 N/A TRP 73.A NE1 SER 82.A OG no hydrogen 2.694 N/A ILE 74.A N PRO 70.A O no hydrogen 3.243 N/A ARG 75.A N HIS 71.A O no hydrogen 3.166 N/A ARG 75.A NE ASP 76.A OD1 no hydrogen 2.781 N/A ARG 75.A NH2 ASP 76.A OD1 no hydrogen 3.314 N/A ARG 75.A NH2 ASP 76.A OD2 no hydrogen 3.101 N/A ASP 76.A N THR 72.A O no hydrogen 2.719 N/A SER 77.A N ILE 74.A O no hydrogen 3.109 N/A SER 77.A OG SER 29.A OG no hydrogen 3.134 N/A CYS 78.A N TRP 73.A O no hydrogen 3.118 N/A TRP 80.A NE1 TRP 64.A O no hydrogen 2.960 N/A TYR 81.A OH PRO 49.A O no hydrogen 2.875 N/A SER 82.A N CYS 78.A O no hydrogen 3.518 N/A GLN 83.A N VAL 79.A O no hydrogen 3.082 N/A GLN 83.A NE2 THR 118.A O no hydrogen 3.016 N/A ALA 84.A N TRP 80.A O no hydrogen 2.861 N/A LEU 85.A N TYR 81.A O no hydrogen 3.016 N/A THR 86.A N SER 82.A O no hydrogen 3.018 N/A THR 86.A OG1 SER 82.A O no hydrogen 3.546 N/A THR 86.A OG1 GLN 83.A O no hydrogen 3.245 N/A THR 86.A OG1 LEU 117.A O no hydrogen 2.872 N/A ARG 87.A N GLN 83.A O no hydrogen 3.120 N/A GLN 88.A N ALA 84.A O no hydrogen 3.336 N/A LEU 89.A N LEU 85.A O no hydrogen 2.984 N/A GLY 90.A N THR 86.A O no hydrogen 2.943 N/A ARG 92.A NE LEU 89.A O no hydrogen 3.057 N/A ARG 92.A NH2 GLN 88.A O no hydrogen 3.160 N/A ARG 92.A NH2 LEU 89.A O no hydrogen 3.527 N/A PHE 93.A N GLY 90.A O no hydrogen 3.055 N/A LYS 94.A NZ GLN 105.A O no hydrogen 3.145 N/A GLY 95.A N LYS 91.A O no hydrogen 2.983 N/A TYR 96.A N ARG 92.A O no hydrogen 2.925 N/A TYR 96.A OH ASP 39.A OD2 no hydrogen 2.609 N/A VAL 97.A N PHE 93.A O no hydrogen 3.064 N/A ASP 98.A N LYS 94.A O no hydrogen 2.927 N/A ALA 99.A N GLY 95.A O no hydrogen 2.768 N/A PHE 100.A N TYR 96.A O no hydrogen 2.717 N/A HIS 101.A N ASP 98.A O no hydrogen 2.948 N/A TYR 102.A N VAL 97.A O no hydrogen 3.242 N/A ASN 104.A N SER 127.A O no hydrogen 2.896 N/A ASN 104.A ND2 SER 125.A O no hydrogen 2.831 N/A GLN 105.A N TYR 102.A O no hydrogen 3.073 N/A ASP 106.A N ASN 104.A OD1 no hydrogen 3.092 N/A SER 108.A N ASP 106.A OD1 no hydrogen 3.000 N/A SER 108.A OG ASP 106.A OD1 no hydrogen 3.014 N/A GLY 109.A N SER 125.A OG no hydrogen 3.015 N/A ASP 110.A N ASN 115.A OD1 no hydrogen 3.050 N/A GLN 113.A N ASP 110.A O no hydrogen 3.031 N/A ASN 115.A ND2 ASP 110.A OD2 no hydrogen 2.898 N/A THR 118.A N ASN 115.A O no hydrogen 3.136 N/A ALA 120.A N GLY 116.A O no hydrogen 3.079 N/A LEU 122.A N HIS 119.A O no hydrogen 3.001 N/A SER 123.A N SER 26.A OG no hydrogen 3.047 N/A SER 123.A OG ARG 176.A O no hydrogen 3.345 N/A SER 124.A OG ASP 110.A OD1 no hydrogen 2.202 N/A SER 124.A OG HIS 119.A O no hydrogen 3.153 N/A SER 125.A OG ASP 106.A O no hydrogen 2.887 N/A LEU 126.A N ALA 120.A O no hydrogen 3.166 N/A SER 127.A N ASN 104.A OD1 no hydrogen 2.944 N/A ILE 128.A N TYR 25.A O no hydrogen 2.798 N/A SER 129.A N GLU 132.A OE1 no hydrogen 2.995 N/A SER 129.A OG GLU 132.A OE1 no hydrogen 3.163 N/A THR 131.A N CYS 21.A O no hydrogen 3.082 N/A THR 131.A OG1 CYS 21.A O no hydrogen 3.103 N/A THR 131.A OG1 ASP 22.A OD1 no hydrogen 3.156 N/A GLU 132.A N SER 129.A OG no hydrogen 3.134 N/A GLN 133.A N SER 129.A O no hydrogen 2.822 N/A GLN 133.A NE2 THR 30.A OG1 no hydrogen 2.955 N/A ILE 134.A N PRO 130.A O no hydrogen 2.988 N/A GLN 135.A N THR 131.A O no hydrogen 3.090 N/A PHE 136.A N GLU 132.A O no hydrogen 2.792 N/A LEU 137.A N GLN 133.A O no hydrogen 2.851 N/A GLN 138.A N ILE 134.A O no hydrogen 2.812 N/A GLN 138.A NE2 ASN 10.A O no hydrogen 2.954 N/A LYS 139.A N GLN 135.A O no hydrogen 2.977 N/A ILE 140.A N PHE 136.A O no hydrogen 3.273 N/A ILE 140.A N LEU 137.A O no hydrogen 2.948 N/A ILE 141.A N LEU 137.A O no hydrogen 2.980 N/A TYR 142.A N GLN 138.A O no hydrogen 2.932 N/A LYS 143.A N ILE 140.A O no hydrogen 3.385 N/A LYS 144.A N LYS 139.A O no hydrogen 2.876 N/A LEU 145.A N TYR 152.A OH no hydrogen 2.996 N/A VAL 147.A N LEU 145.A O no hydrogen 3.018 N/A SER 148.A N ASP 39.A OD1 no hydrogen 2.774 N/A GLN 149.A NE2 THR 153.A OG1 no hydrogen 2.935 N/A LYS 150.A NZ LYS 44.A O no hydrogen 2.786 N/A ALA 151.A N SER 148.A O no hydrogen 3.095 N/A ALA 151.A N SER 148.A OG no hydrogen 3.428 N/A TYR 152.A N SER 148.A O no hydrogen 3.347 N/A TYR 152.A OH LEU 145.A O no hydrogen 2.929 N/A THR 153.A N GLN 149.A O no hydrogen 2.950 N/A THR 153.A OG1 GLN 149.A O no hydrogen 3.092 N/A THR 154.A OG1 SER 35.A OG no hydrogen 2.583 N/A THR 154.A OG1 ALA 151.A O no hydrogen 2.839 N/A LYS 155.A N TYR 152.A O no hydrogen 3.083 N/A LYS 155.A NZ GLU 198.A OE1 no hydrogen 3.378 N/A LYS 155.A NZ GLU 198.A OE2 no hydrogen 2.838 N/A ASN 156.A N THR 153.A O no hydrogen 3.050 N/A ILE 159.A N LEU 168.A O no hydrogen 2.897 N/A GLN 160.A NE2 GLU 161.A O no hydrogen 3.696 N/A LEU 162.A N TRP 166.A O no hydrogen 2.663 N/A GLY 165.A N LEU 162.A O no hydrogen 2.994 N/A TRP 166.A NE1 GLU 240.A OE2 no hydrogen 2.920 N/A LYS 167.A N GLU 198.A O no hydrogen 2.780 N/A LEU 168.A N GLN 160.A O no hydrogen 2.819 N/A TYR 169.A N TRP 196.A O no hydrogen 2.911 N/A LYS 171.A N VAL 194.A O no hydrogen 2.998 N/A LYS 171.A NZ SER 77.A OG no hydrogen 2.975 N/A LYS 171.A NZ THR 172.A O no hydrogen 2.821 N/A GLY 173.A N TRP 192.A O no hydrogen 3.086 N/A GLY 175.A N HIS 190.A O no hydrogen 2.878 N/A ARG 176.A N SER 123.A OG no hydrogen 2.866 N/A GLN 177.A N LEU 188.A O no hydrogen 3.039 N/A GLN 177.A NE2 GLN 189.A O no hydrogen 3.082 N/A GLN 177.A NE2 ASP 212.A O no hydrogen 2.989 N/A THR 179.A N GLN 184.A O no hydrogen 2.813 N/A THR 179.A OG1 ASP 181.A O no hydrogen 3.396 N/A THR 179.A OG1 GLN 184.A O no hydrogen 3.489 N/A GLN 184.A N THR 179.A OG1 no hydrogen 2.772 N/A LYS 185.A NZ LEU 122.A O no hydrogen 3.304 N/A LEU 186.A N GLN 177.A O no hydrogen 2.717 N/A GLN 189.A NE2 THR 218.A O no hydrogen 3.290 N/A HIS 190.A N GLY 175.A O no hydrogen 3.053 N/A HIS 190.A ND1 HIS 209.A NE2 no hydrogen 2.915 N/A GLY 191.A N ILE 210.A O no hydrogen 2.809 N/A TRP 192.A N GLY 173.A O no hydrogen 2.716 N/A TRP 192.A NE1 SER 26.A O no hydrogen 2.786 N/A PHE 193.A N LYS 208.A O no hydrogen 3.072 N/A VAL 194.A N LYS 171.A O no hydrogen 3.277 N/A GLY 195.A N PHE 206.A O no hydrogen 3.119 N/A TRP 196.A N TYR 169.A O no hydrogen 2.909 N/A TRP 196.A NE1 GLU 198.A OE1 no hydrogen 3.137 N/A ILE 197.A N ILE 204.A O no hydrogen 2.914 N/A GLU 198.A N LYS 167.A O no hydrogen 2.967 N/A LYS 199.A N ARG 202.A O no hydrogen 2.996 N/A LYS 199.A NZ GLY 164.A O no hydrogen 3.024 N/A LYS 199.A NZ GLU 240.A OE2 no hydrogen 3.024 N/A ARG 202.A N LYS 199.A O no hydrogen 2.925 N/A ARG 202.A NE GLU 9.A OE2 no hydrogen 2.967 N/A ARG 202.A NH2 GLU 9.A OE1 no hydrogen 3.017 N/A ARG 202.A NH2 GLU 9.A OE2 no hydrogen 3.371 N/A ILE 204.A N ILE 197.A O no hydrogen 3.036 N/A THR 205.A N LYS 8.A O no hydrogen 2.994 N/A THR 205.A OG1 LYS 8.A O no hydrogen 3.306 N/A PHE 206.A N GLY 195.A O no hydrogen 2.798 N/A ALA 207.A N LEU 6.A O no hydrogen 2.844 N/A LYS 208.A N PHE 193.A O no hydrogen 2.902 N/A HIS 209.A N CYS 4.A O no hydrogen 2.964 N/A HIS 209.A NE2 HIS 190.A ND1 no hydrogen 2.915 N/A ILE 210.A N GLY 191.A O no hydrogen 2.941 N/A ALA 211.A N ASP 2.A O no hydrogen 2.864 N/A ASP 212.A N GLN 189.A O no hydrogen 3.058 N/A THR 218.A N ASN 216.A OD1 no hydrogen 2.846 N/A ALA 220.A N GLN 189.A OE1 no hydrogen 3.019 N/A SER 221.A N THR 174.A OG1 no hydrogen 2.977 N/A SER 221.A OG THR 174.A OG1 no hydrogen 2.974 N/A PHE 222.A N PHE 219.A O no hydrogen 3.200 N/A ARG 223.A N PHE 219.A O no hydrogen 3.393 N/A ARG 223.A NE THR 218.A O no hydrogen 3.508 N/A ARG 223.A NH1 ASP 212.A OD2 no hydrogen 2.799 N/A ARG 223.A NH1 THR 218.A O no hydrogen 2.993 N/A ARG 223.A NH2 ASP 212.A OD1 no hydrogen 2.826 N/A ARG 223.A NH2 ASP 212.A OD2 no hydrogen 3.433 N/A ALA 224.A N ALA 220.A O no hydrogen 2.836 N/A LYS 225.A N SER 221.A O no hydrogen 2.776 N/A ASN 226.A N PHE 222.A O no hydrogen 2.706 N/A ASP 227.A N ARG 223.A O no hydrogen 2.961 N/A THR 228.A N ALA 224.A O no hydrogen 3.049 N/A THR 228.A OG1 ALA 224.A O no hydrogen 2.736 N/A LEU 229.A N LYS 225.A O no hydrogen 3.067 N/A ILE 230.A N ASP 227.A O no hydrogen 2.975 N/A GLN 231.A N ASP 227.A O no hydrogen 3.099 N/A LEU 232.A N THR 228.A O no hydrogen 2.836 N/A PHE 233.A N LEU 229.A O no hydrogen 2.941 N/A ASN 234.A N ILE 230.A O no hydrogen 3.089 N/A LEU 235.A N GLN 231.A O no hydrogen 2.742 N/A ILE 236.A N LEU 232.A O no hydrogen 2.817 N/A ASN 237.A N PHE 233.A O no hydrogen 3.227 N/A GLU 238.A N ASN 234.A O no hydrogen 3.139 N/A LEU 239.A N LEU 235.A O no hydrogen 2.881 N/A GLU 240.A N ILE 236.A O no hydrogen 2.901 N/A LYS 241.A N GLU 238.A O no hydrogen 3.238 N/A