Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8gqw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A ND1 ASP 29.A OD2 no hydrogen 2.748 N/A SER 4.A N ASP 29.A OD1 no hydrogen 2.918 N/A SER 4.A OG ASP 29.A OD1 no hydrogen 3.512 N/A LEU 5.A N CYS 101.A O no hydrogen 3.148 N/A SER 6.A N TYR 27.A O no hydrogen 2.765 N/A TYR 7.A N TYR 99.A O no hydrogen 3.058 N/A SER 8.A N VAL 25.A O no hydrogen 3.032 N/A TYR 9.A N ARG 97.A O no hydrogen 2.724 N/A THR 10.A N PHE 23.A O no hydrogen 2.997 N/A ALA 11.A N ILE 95.A O no hydrogen 2.825 N/A VAL 12.A N ARG 21.A O no hydrogen 3.020 N/A SER 13.A N ARG 93.A O no hydrogen 2.930 N/A ARG 14.A N ASP 19.A O no hydrogen 2.946 N/A ARG 14.A NE ASP 19.A OD1 no hydrogen 2.773 N/A ARG 14.A NH1 ASP 39.A OD2 no hydrogen 2.271 N/A ARG 14.A NH2 ASP 39.A OD1 no hydrogen 2.882 N/A ASP 16.A N ARG 17.A O no hydrogen 2.737 N/A ARG 21.A N VAL 12.A O no hydrogen 2.799 N/A ARG 21.A NE ASP 37.A OD2 no hydrogen 3.109 N/A ARG 21.A NH2 ASP 37.A OD1 no hydrogen 2.943 N/A PHE 22.A N SER 38.A OG no hydrogen 2.840 N/A PHE 23.A N THR 10.A O no hydrogen 2.877 N/A ILE 24.A N PHE 36.A O no hydrogen 3.054 N/A VAL 25.A N SER 8.A O no hydrogen 3.202 N/A GLY 26.A N VAL 34.A O no hydrogen 2.911 N/A TYR 27.A N SER 6.A O no hydrogen 2.839 N/A VAL 28.A N THR 31.A O no hydrogen 2.982 N/A ASP 29.A N SER 4.A O no hydrogen 2.710 N/A THR 31.A N VAL 28.A O no hydrogen 2.963 N/A THR 31.A OG1 TYR 209.A OH no hydrogen 2.890 N/A PHE 33.A N GLY 26.A O no hydrogen 2.878 N/A ARG 35.A N GLU 46.A O no hydrogen 3.075 N/A ARG 35.A NE GLU 46.A OE1 no hydrogen 2.886 N/A ARG 35.A NH2 GLU 46.A OE1 no hydrogen 3.065 N/A PHE 36.A N ILE 24.A O no hydrogen 2.882 N/A SER 38.A N PHE 22.A O no hydrogen 3.025 N/A ASP 39.A N ASP 37.A OD2 no hydrogen 3.268 N/A ALA 40.A N ASP 37.A O no hydrogen 3.026 N/A MET 45.A N THR 64.A OG1 no hydrogen 3.005 N/A GLU 46.A N ARG 35.A O no hydrogen 2.946 N/A ARG 48.A N PHE 33.A O no hydrogen 2.608 N/A ILE 52.A N ALA 49.A O no hydrogen 3.161 N/A GLU 55.A N ILE 52.A O no hydrogen 3.044 N/A GLN 57.A NE2 ASP 61.A OD1 no hydrogen 3.130 N/A TYR 59.A N GLY 56.A O no hydrogen 2.855 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.657 N/A TRP 60.A N GLY 56.A O no hydrogen 3.319 N/A TRP 60.A NE1 GLU 55.A O no hydrogen 3.182 N/A ASP 61.A N GLN 57.A O no hydrogen 2.767 N/A GLU 63.A N TYR 59.A O no hydrogen 3.169 N/A THR 64.A N TRP 60.A O no hydrogen 2.972 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.714 N/A GLN 65.A N ASP 61.A O no hydrogen 2.866 N/A GLN 65.A NE2 GLU 69.A OE2 no hydrogen 3.134 N/A ILE 66.A N ARG 62.A O no hydrogen 2.981 N/A SER 67.A N GLU 63.A O no hydrogen 2.903 N/A SER 67.A OG GLU 63.A O no hydrogen 2.669 N/A LYS 68.A N THR 64.A O no hydrogen 3.120 N/A GLU 69.A N GLN 65.A O no hydrogen 3.086 N/A THR 70.A N ILE 66.A O no hydrogen 3.036 N/A THR 70.A OG1 ILE 66.A O no hydrogen 2.777 N/A ALA 71.A N SER 67.A O no hydrogen 2.794 N/A GLN 72.A N LYS 68.A O no hydrogen 2.967 N/A ASN 73.A N GLU 69.A O no hydrogen 3.145 N/A TYR 74.A N THR 70.A O no hydrogen 3.091 N/A ARG 75.A N GLN 72.A O no hydrogen 3.244 N/A ASP 77.A N ASN 73.A O no hydrogen 2.985 N/A LEU 78.A N TYR 74.A O no hydrogen 3.119 N/A THR 80.A N VAL 76.A O no hydrogen 2.939 N/A THR 80.A OG1 VAL 76.A O no hydrogen 3.009 N/A LEU 81.A N ASP 77.A O no hydrogen 3.005 N/A ARG 82.A N LEU 78.A O no hydrogen 3.082 N/A ARG 82.A NE GLN 87.A O no hydrogen 3.387 N/A GLY 83.A N ASN 79.A O no hydrogen 3.046 N/A TYR 84.A N THR 80.A O no hydrogen 2.834 N/A TYR 85.A N LEU 81.A O no hydrogen 3.014 N/A TYR 85.A N ARG 82.A O no hydrogen 3.274 N/A TYR 85.A OH ASP 137.A OD1 no hydrogen 2.646 N/A TYR 85.A OH ASP 137.A OD2 no hydrogen 3.320 N/A ASN 86.A N GLY 83.A O no hydrogen 3.278 N/A GLN 87.A N ARG 82.A O no hydrogen 3.012 N/A ALA 90.A N SER 88.A OG no hydrogen 3.251 N/A SER 92.A OG SER 13.A O no hydrogen 2.778 N/A ARG 93.A N SER 13.A OG no hydrogen 2.919 N/A ARG 93.A NH1 ASP 119.A OD2 no hydrogen 3.276 N/A THR 94.A N ASP 119.A OD1 no hydrogen 3.023 N/A ILE 95.A N ALA 11.A O no hydrogen 2.846 N/A GLN 96.A N ALA 117.A O no hydrogen 2.901 N/A ARG 97.A N TYR 9.A O no hydrogen 2.966 N/A ARG 97.A NH1 TYR 74.A OH no hydrogen 3.204 N/A VAL 98.A N GLN 115.A O no hydrogen 3.004 N/A TYR 99.A N TYR 7.A O no hydrogen 3.336 N/A TYR 99.A OH TYR 9.A OH no hydrogen 2.716 N/A GLY 100.A N TYR 113.A O no hydrogen 3.150 N/A CYS 101.A N LEU 5.A O no hydrogen 3.077 N/A TYR 102.A N ARG 111.A O no hydrogen 2.878 N/A LEU 103.A N HIS 3.A O no hydrogen 2.919 N/A GLY 104.A N LEU 108.A O no hydrogen 2.801 N/A GLY 107.A N GLY 104.A O no hydrogen 3.052 N/A LEU 108.A N ASP 106.A OD2 no hydrogen 3.224 N/A LEU 110.A N TYR 102.A O no hydrogen 2.802 N/A TYR 113.A N GLY 100.A O no hydrogen 3.200 N/A ARG 114.A NE ASP 116.A OD2 no hydrogen 2.896 N/A ARG 114.A NH1 GLU 156.A OE1 no hydrogen 2.650 N/A ARG 114.A NH2 ASP 116.A OD1 no hydrogen 2.742 N/A GLN 115.A N VAL 98.A O no hydrogen 2.873 N/A ASP 116.A N ILE 124.A O no hydrogen 2.751 N/A ALA 117.A N GLN 96.A O no hydrogen 2.898 N/A TYR 118.A N ALA 121.A O no hydrogen 2.841 N/A TYR 118.A OH GLN 87.A OE1 no hydrogen 2.581 N/A ASP 119.A N THR 94.A O no hydrogen 2.734 N/A ALA 121.A N TYR 118.A O no hydrogen 3.088 N/A TYR 123.A N ASP 116.A O no hydrogen 2.760 N/A TYR 123.A OH THR 143.A OG1 no hydrogen 2.771 N/A ILE 124.A N ASP 116.A O no hydrogen 3.295 N/A ALA 125.A N THR 134.A O no hydrogen 2.992 N/A LEU 126.A N ARG 114.A O no hydrogen 2.815 N/A ASN 127.A N SER 132.A O no hydrogen 2.861 N/A ASN 127.A ND2 SER 132.A OG no hydrogen 2.683 N/A LEU 130.A N ASN 127.A O no hydrogen 2.741 N/A ARG 131.A N ASP 129.A OD1 no hydrogen 3.209 N/A SER 132.A OG ASP 129.A OD1 no hydrogen 2.887 N/A SER 132.A OG ASP 129.A OD2 no hydrogen 3.380 N/A THR 134.A N ALA 125.A O no hydrogen 2.819 N/A THR 134.A OG1 ASN 127.A OD1 no hydrogen 2.533 N/A ALA 136.A N TYR 123.A O no hydrogen 3.007 N/A ALA 140.A N ASP 137.A OD2 no hydrogen 3.158 N/A GLN 141.A N MET 138.A O no hydrogen 2.883 N/A ILE 142.A N MET 138.A O no hydrogen 3.202 N/A THR 143.A N ALA 139.A O no hydrogen 3.302 N/A THR 143.A OG1 TYR 123.A OH no hydrogen 2.771 N/A LYS 144.A N ALA 140.A O no hydrogen 2.713 N/A LYS 144.A NZ TRP 133.A O no hydrogen 3.116 N/A ARG 145.A N GLN 141.A O no hydrogen 2.970 N/A LYS 146.A N ILE 142.A O no hydrogen 3.145 N/A LYS 146.A NZ TYR 84.A OH no hydrogen 2.972 N/A TRP 147.A N THR 143.A O no hydrogen 3.202 N/A GLU 148.A N LYS 144.A O no hydrogen 3.052 N/A GLU 148.A N ARG 145.A O no hydrogen 3.097 N/A VAL 149.A N ARG 145.A O no hydrogen 2.857 N/A VAL 150.A N LYS 146.A O no hydrogen 3.189 N/A ASN 151.A N GLU 148.A O no hydrogen 3.214 N/A GLU 152.A N TRP 147.A O no hydrogen 2.871 N/A GLU 154.A N ASN 151.A O no hydrogen 3.234 N/A GLU 156.A N GLU 152.A O no hydrogen 3.079 N/A ARG 157.A N ALA 153.A O no hydrogen 2.704 N/A ARG 157.A NE LEU 130.A O no hydrogen 3.358 N/A SER 158.A N GLU 154.A O no hydrogen 3.025 N/A SER 158.A OG GLU 154.A O no hydrogen 3.339 N/A SER 158.A OG GLY 155.A O no hydrogen 3.013 N/A TYR 159.A N GLY 155.A O no hydrogen 3.099 N/A LEU 160.A N GLU 156.A O no hydrogen 2.878 N/A GLN 161.A N ARG 157.A O no hydrogen 2.958 N/A GLY 162.A N TYR 159.A O no hydrogen 3.184 N/A CYS 164.A N TYR 159.A O no hydrogen 2.875 N/A CYS 164.A SG TYR 159.A OH no hydrogen 3.845 N/A GLU 166.A N GLY 162.A O no hydrogen 3.048 N/A TRP 167.A N ARG 163.A O no hydrogen 3.091 N/A LEU 168.A N CYS 164.A O no hydrogen 3.125 N/A GLN 169.A N VAL 165.A O no hydrogen 3.090 N/A LYS 170.A N GLU 166.A O no hydrogen 3.208 N/A LYS 170.A NZ GLU 55.A OE1 no hydrogen 2.685 N/A TYR 171.A N TRP 167.A O no hydrogen 2.821 N/A TYR 171.A OH TYR 59.A OH no hydrogen 2.657 N/A LEU 172.A N LEU 168.A O no hydrogen 2.929 N/A VAL 173.A N GLN 169.A O no hydrogen 3.124 N/A MET 174.A N LYS 170.A O no hydrogen 2.802 N/A GLY 175.A N TYR 171.A O no hydrogen 2.941 N/A LYS 176.A N VAL 173.A O no hydrogen 3.248 N/A THR 178.A N GLY 175.A O no hydrogen 3.226 N/A LEU 179.A N GLY 175.A O no hydrogen 2.750 N/A GLN 180.A N LYS 176.A O no hydrogen 2.965 N/A GLN 180.A NE2 LEU 172.A O no hydrogen 2.950 N/A GLU 183.A N TYR 209.A O no hydrogen 2.374 N/A LYS 186.A N LEU 206.A O no hydrogen 2.740 N/A HIS 188.A N TRP 204.A O no hydrogen 3.388 N/A THR 190.A N ARG 202.A O no hydrogen 2.929 N/A THR 190.A OG1 HIS 192.A NE2 no hydrogen 2.593 N/A ARG 191.A NE GLU 254.A OE2 no hydrogen 2.859 N/A ARG 191.A NH2 GLU 254.A OE2 no hydrogen 3.285 N/A HIS 192.A N THR 200.A O no hydrogen 2.542 N/A HIS 192.A NE2 THR 190.A OG1 no hydrogen 2.593 N/A SER 194.A N GLY 198.A O no hydrogen 2.826 N/A VAL 199.A N VAL 249.A O no hydrogen 3.000 N/A THR 200.A N HIS 192.A O no hydrogen 2.616 N/A LEU 201.A N LEU 247.A O no hydrogen 3.134 N/A ARG 202.A N THR 190.A O no hydrogen 2.820 N/A CYS 203.A N ALA 245.A O no hydrogen 2.732 N/A TRP 204.A N HIS 188.A O no hydrogen 2.700 N/A TRP 204.A NE1 THR 190.A OG1 no hydrogen 3.130 N/A ALA 205.A N LYS 243.A O no hydrogen 2.859 N/A LEU 206.A N LYS 186.A O no hydrogen 3.126 N/A PHE 208.A N PHE 241.A O no hydrogen 3.211 N/A TYR 209.A N GLU 183.A O no hydrogen 2.944 N/A TYR 209.A OH THR 31.A OG1 no hydrogen 2.890 N/A SER 214.A N GLN 262.A O no hydrogen 2.830 N/A SER 216.A N HIS 260.A O no hydrogen 3.133 N/A TRP 217.A NE1 ALA 245.A O no hydrogen 2.868 N/A GLN 218.A N THR 258.A O no hydrogen 3.001 N/A ARG 219.A N GLN 222.A O no hydrogen 2.496 N/A GLU 220.A N SER 256.A O no hydrogen 3.243 N/A GLN 222.A N ARG 219.A O no hydrogen 2.806 N/A GLN 224.A N TRP 217.A O no hydrogen 3.004 N/A GLN 224.A NE2 GLN 222.A O no hydrogen 3.392 N/A GLN 224.A NE2 ASP 223.A O no hydrogen 2.741 N/A SER 225.A N ASP 223.A OD2 no hydrogen 3.092 N/A SER 225.A OG ASP 223.A OD1 no hydrogen 2.674 N/A SER 225.A OG ASP 223.A OD2 no hydrogen 2.864 N/A GLU 229.A N ALA 246.A O no hydrogen 2.531 N/A VAL 231.A N TRP 244.A O no hydrogen 3.209 N/A ARG 234.A N GLN 242.A O no hydrogen 2.918 N/A ARG 234.A NE GLN 242.A OE1 no hydrogen 3.206 N/A ARG 234.A NH2 GLN 242.A OE1 no hydrogen 3.396 N/A SER 236.A N THR 240.A O no hydrogen 2.805 N/A SER 236.A OG THR 240.A OG1 no hydrogen 2.774 N/A THR 240.A N ASP 238.A OD1 no hydrogen 3.290 N/A THR 240.A OG1 SER 236.A OG no hydrogen 2.774 N/A THR 240.A OG1 ASP 238.A OD1 no hydrogen 2.560 N/A PHE 241.A N PHE 208.A O no hydrogen 2.798 N/A GLN 242.A N ARG 234.A O no hydrogen 2.691 N/A LYS 243.A N ALA 205.A O no hydrogen 2.887 N/A LYS 243.A NZ VAL 231.A O no hydrogen 2.358 N/A LYS 243.A NZ THR 233.A OG1 no hydrogen 3.061 N/A ALA 245.A N CYS 203.A O no hydrogen 2.992 N/A ALA 246.A N GLU 229.A O no hydrogen 2.660 N/A LEU 247.A N LEU 201.A O no hydrogen 3.197 N/A VAL 249.A N VAL 199.A O no hydrogen 2.765 N/A GLU 253.A N PRO 250.A O no hydrogen 2.800 N/A GLU 254.A N GLU 254.A OE1 no hydrogen 2.664 N/A GLN 255.A NE2 TRP 274.A O no hydrogen 3.418 N/A SER 256.A N GLU 253.A O no hydrogen 3.129 N/A SER 256.A OG GLU 220.A OE2 no hydrogen 2.622 N/A THR 258.A N GLN 218.A O no hydrogen 3.054 N/A THR 258.A OG1 HIS 260.A NE2 no hydrogen 2.804 N/A CYS 259.A N LEU 272.A O no hydrogen 2.766 N/A CYS 259.A SG SER 216.A O no hydrogen 3.967 N/A HIS 260.A N SER 216.A O no hydrogen 2.801 N/A HIS 260.A NE2 THR 258.A OG1 no hydrogen 2.804 N/A VAL 261.A N LEU 270.A O no hydrogen 2.976 N/A GLN 262.A N SER 214.A O no hydrogen 2.985 N/A HIS 263.A NE2 PRO 210.A O no hydrogen 2.948 N/A GLY 265.A N HIS 263.A ND1 no hydrogen 3.040 N/A LEU 266.A N HIS 263.A O no hydrogen 2.905 N/A GLN 267.A NE2 GLY 265.A O no hydrogen 3.530 N/A LEU 270.A N VAL 261.A O no hydrogen 2.847 N/A LEU 272.A N CYS 259.A O no hydrogen 2.575 N/A ARG 273.A NH1 GLN 255.A O no hydrogen 2.812 N/A