Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qyf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 1.A N GLN 156.A OE1 no hydrogen 3.363 N/A GLY 3.A N ASP 157.A O no hydrogen 3.001 N/A GLU 4.A N GLU 90.A O no hydrogen 2.814 N/A VAL 5.A N GLU 159.A O no hydrogen 2.774 N/A HIS 6.A N TYR 92.A O no hydrogen 2.831 N/A VAL 7.A N TYR 161.A O no hydrogen 2.879 N/A CYS 8.A N PHE 94.A O no hydrogen 2.917 N/A CYS 8.A SG SER 9.A O no hydrogen 3.389 N/A VAL 10.A N TYR 96.A O no hydrogen 2.913 N/A GLY 11.A N GLU 73.A OE2 no hydrogen 2.698 N/A THR 12.A OG1 ASP 37.A O no hydrogen 2.650 N/A LEU 15.A N THR 12.A O no hydrogen 3.044 N/A LYS 16.A N THR 12.A O no hydrogen 3.231 N/A ASN 17.A N SER 13.A O no hydrogen 2.776 N/A ASN 17.A ND2 ARG 69.A O no hydrogen 3.546 N/A ASN 17.A ND2 ALA 70.A O no hydrogen 2.889 N/A SER 18.A N LEU 14.A O no hydrogen 2.947 N/A SER 18.A OG LEU 14.A O no hydrogen 3.433 N/A SER 18.A OG LEU 15.A O no hydrogen 2.744 N/A LEU 19.A N LYS 16.A O no hydrogen 3.307 N/A ASP 20.A N ASN 17.A O no hydrogen 3.162 N/A ASP 21.A N SER 18.A O no hydrogen 2.778 N/A VAL 24.A N ASP 21.A OD1 no hydrogen 3.069 N/A ARG 25.A N ASP 21.A O no hydrogen 2.805 N/A ARG 25.A NH1 LEU 19.A O no hydrogen 3.018 N/A ARG 25.A NH1 ASP 22.A OD1 no hydrogen 3.073 N/A ARG 25.A NH2 ASP 22.A OD1 no hydrogen 3.188 N/A LYS 26.A N ASP 22.A O no hydrogen 2.990 N/A GLU 27.A N ASN 23.A O no hydrogen 3.235 N/A ILE 28.A N VAL 24.A O no hydrogen 2.893 N/A GLU 29.A N ARG 25.A O no hydrogen 2.823 N/A ARG 30.A N LYS 26.A O no hydrogen 2.894 N/A LEU 31.A N GLU 27.A O no hydrogen 3.158 N/A LEU 31.A N ILE 28.A O no hydrogen 2.983 N/A GLY 32.A N GLU 29.A O no hydrogen 2.933 N/A LEU 33.A N ILE 28.A O no hydrogen 2.866 N/A TRP 36.A N LEU 33.A O no hydrogen 2.797 N/A TRP 36.A NE1 LEU 15.A O no hydrogen 3.129 N/A ARG 38.A N ASP 35.A O no hydrogen 2.893 N/A ASP 43.A N LYS 40.A O no hydrogen 3.049 N/A ARG 45.A N ASP 43.A OD1 no hydrogen 2.817 N/A ARG 45.A NE ASP 43.A OD1 no hydrogen 3.378 N/A ARG 45.A NH1 GLY 32.A O no hydrogen 3.050 N/A ARG 45.A NH1 ASP 35.A OD1 no hydrogen 2.770 N/A ARG 45.A NH2 ASP 35.A OD2 no hydrogen 2.972 N/A ARG 45.A NH2 ASP 43.A OD2 no hydrogen 3.245 N/A GLN 46.A N ASP 43.A O no hydrogen 3.007 N/A GLN 46.A NE2 LYS 40.A O no hydrogen 3.170 N/A GLN 46.A NE2 ASN 102.A OD1 no hydrogen 3.098 N/A ASN 47.A N ASP 44.A O no hydrogen 3.071 N/A ARG 48.A N ARG 45.A O no hydrogen 2.806 N/A ILE 49.A N ARG 45.A O no hydrogen 3.456 N/A LYS 50.A N GLN 46.A O no hydrogen 2.985 N/A GLU 51.A N ASN 47.A O no hydrogen 2.799 N/A ASN 52.A N ILE 49.A O no hydrogen 3.064 N/A ASN 52.A ND2 ARG 48.A O no hydrogen 2.872 N/A PHE 53.A N LYS 50.A O no hydrogen 3.296 N/A LEU 56.A N ASN 52.A O no hydrogen 3.034 N/A ARG 57.A N PHE 53.A O no hydrogen 2.939 N/A ARG 57.A NE ASP 54.A OD1 no hydrogen 3.481 N/A ARG 57.A NH1 ASP 112.A OD2 no hydrogen 2.918 N/A ARG 57.A NH2 ASP 54.A OD1 no hydrogen 3.445 N/A LYS 58.A N ASP 54.A O no hydrogen 3.210 N/A LEU 60.A N ARG 57.A O no hydrogen 2.927 N/A LYS 61.A N LYS 58.A O no hydrogen 2.967 N/A ILE 63.A N LEU 59.A O no hydrogen 2.986 N/A ARG 64.A N LEU 60.A O no hydrogen 2.930 N/A ARG 64.A NE GLU 116.A OE1 no hydrogen 3.022 N/A ARG 64.A NH2 GLU 116.A OE1 no hydrogen 3.511 N/A ARG 64.A NH2 GLU 116.A OE2 no hydrogen 2.622 N/A SER 65.A N LYS 61.A O no hydrogen 3.178 N/A SER 65.A N PHE 62.A O no hydrogen 3.170 N/A SER 65.A OG LYS 61.A O no hydrogen 3.303 N/A SER 65.A OG PHE 62.A O no hydrogen 2.930 N/A LYS 66.A N PHE 62.A O no hydrogen 2.833 N/A GLY 67.A N ILE 63.A O no hydrogen 2.851 N/A ARG 68.A NH1 GLU 82.A OE1 no hydrogen 2.862 N/A ARG 68.A NH2 GLU 82.A OE2 no hydrogen 2.731 N/A ALA 70.A N GLY 67.A O no hydrogen 2.978 N/A SER 71.A OG GLU 73.A OE1 no hydrogen 2.804 N/A ALA 72.A N SER 13.A OG no hydrogen 2.802 N/A LEU 74.A N SER 71.A OG no hydrogen 3.183 N/A ASP 75.A N SER 71.A O no hydrogen 2.864 N/A SER 76.A N ALA 72.A O no hydrogen 2.991 N/A SER 76.A OG ALA 72.A O no hydrogen 2.756 N/A SER 76.A OG GLU 73.A O no hydrogen 3.098 N/A LEU 77.A N GLU 73.A O no hydrogen 2.833 N/A PHE 78.A N LEU 74.A O no hydrogen 2.972 N/A SER 79.A N ASP 75.A O no hydrogen 3.060 N/A SER 79.A OG ASP 75.A O no hydrogen 2.877 N/A SER 79.A OG ASP 75.A OD1 no hydrogen 3.488 N/A THR 80.A N SER 76.A O no hydrogen 3.106 N/A THR 80.A OG1 SER 76.A O no hydrogen 2.783 N/A PHE 81.A N LEU 77.A O no hydrogen 2.898 N/A GLU 82.A N PHE 78.A O no hydrogen 3.263 N/A LYS 83.A N SER 79.A O no hydrogen 3.076 N/A LEU 84.A N THR 80.A O no hydrogen 2.931 N/A HIS 86.A N PHE 81.A O no hydrogen 2.854 N/A ASN 87.A N GLU 90.A OE1 no hydrogen 2.925 N/A LYS 88.A NZ GLU 117.A O no hydrogen 2.863 N/A GLU 90.A N ASN 87.A O no hydrogen 2.792 N/A ILE 91.A N LYS 88.A O no hydrogen 3.245 N/A TYR 92.A N GLU 4.A O no hydrogen 3.047 N/A TYR 92.A OH GLU 122.A OE1 no hydrogen 2.584 N/A VAL 93.A N ARG 120.A O no hydrogen 2.905 N/A PHE 94.A N HIS 6.A O no hydrogen 2.717 N/A LEU 95.A N GLU 122.A O no hydrogen 2.814 N/A TYR 96.A N CYS 8.A O no hydrogen 3.126 N/A SER 97.A N VAL 124.A O no hydrogen 3.033 N/A SER 97.A OG THR 98.A O no hydrogen 3.226 N/A THR 98.A OG1 THR 100.A OG1 no hydrogen 2.901 N/A ASN 99.A N VAL 126.A O no hydrogen 2.982 N/A THR 100.A OG1 THR 98.A OG1 no hydrogen 2.901 N/A THR 100.A OG1 ASN 102.A OD1 no hydrogen 3.215 N/A SER 101.A OG GLN 46.A O no hydrogen 3.171 N/A ASN 102.A N GLN 46.A OE1 no hydrogen 3.010 N/A ASN 102.A ND2 TRP 36.A O no hydrogen 2.973 N/A ASN 102.A ND2 LEU 39.A O no hydrogen 3.473 N/A SER 103.A N ASN 102.A OD1 no hydrogen 2.896 N/A SER 103.A OG THR 98.A OG1 no hydrogen 3.287 N/A SER 103.A OG THR 100.A OG1 no hydrogen 3.211 N/A GLN 104.A N THR 100.A O no hydrogen 2.847 N/A GLN 104.A NE2 GLU 108.A OE2 no hydrogen 3.408 N/A LEU 105.A N SER 101.A O no hydrogen 2.882 N/A ALA 106.A N ASN 102.A O no hydrogen 3.159 N/A GLY 107.A N SER 103.A O no hydrogen 2.918 N/A GLU 108.A N GLN 104.A O no hydrogen 2.883 N/A VAL 109.A N LEU 105.A O no hydrogen 3.015 N/A ILE 110.A N ALA 106.A O no hydrogen 2.962 N/A ARG 111.A N GLY 107.A O no hydrogen 2.921 N/A ARG 111.A NE ASP 112.A OD1 no hydrogen 2.964 N/A ARG 111.A NH2 ASP 112.A OD1 no hydrogen 3.047 N/A ASP 112.A N GLU 108.A O no hydrogen 2.882 N/A TYR 113.A N VAL 109.A O no hydrogen 2.888 N/A LEU 114.A N ILE 110.A O no hydrogen 3.001 N/A ILE 115.A N ARG 111.A O no hydrogen 3.046 N/A GLU 116.A N ASP 112.A O no hydrogen 2.977 N/A GLU 117.A N TYR 113.A O no hydrogen 3.037 N/A GLY 118.A N ILE 115.A O no hydrogen 2.989 N/A ILE 119.A N LEU 114.A O no hydrogen 2.937 N/A SER 121.A OG VAL 93.A O no hydrogen 3.018 N/A GLU 122.A N VAL 93.A O no hydrogen 2.942 N/A VAL 124.A N LEU 95.A O no hydrogen 2.885 N/A VAL 126.A N SER 97.A O no hydrogen 2.811 N/A LYS 127.A N ASP 141.A OD2 no hydrogen 2.842 N/A THR 128.A OG1 ASN 99.A OD1 no hydrogen 3.142 N/A SER 130.A N ASN 134.A OD1 no hydrogen 2.724 N/A SER 131.A N ASN 134.A OD1 no hydrogen 3.033 N/A ASN 134.A N SER 131.A OG no hydrogen 2.997 N/A ASN 134.A ND2 SER 130.A OG no hydrogen 2.880 N/A PHE 135.A N SER 131.A O no hydrogen 2.856 N/A GLY 138.A N ASN 134.A O no hydrogen 2.948 N/A ILE 139.A N PHE 135.A O no hydrogen 2.986 N/A VAL 140.A N TYR 136.A O no hydrogen 2.933 N/A ASP 141.A N GLU 137.A O no hydrogen 3.080 N/A LEU 142.A N GLY 138.A O no hydrogen 2.868 N/A PHE 143.A N ILE 139.A O no hydrogen 2.909 N/A ASP 144.A N VAL 140.A O no hydrogen 3.093 N/A LYS 145.A N ASP 141.A O no hydrogen 2.788 N/A LYS 145.A NZ ASP 141.A OD1 no hydrogen 2.861 N/A VAL 146.A N LEU 142.A O no hydrogen 2.890 N/A ILE 147.A N LEU 142.A O no hydrogen 2.976 N/A TYR 148.A N PHE 143.A O no hydrogen 2.879 N/A TYR 148.A OH LYS 261.A O no hydrogen 2.586 N/A ARG 149.A N VAL 146.A O no hydrogen 2.975 N/A ARG 149.A NH1 GLU 122.A OE2 no hydrogen 2.757 N/A ARG 149.A NH2 GLU 122.A OE1 no hydrogen 2.873 N/A ARG 149.A NH2 GLU 122.A OE2 no hydrogen 3.421 N/A ILE 150.A N VAL 146.A O no hydrogen 3.049 N/A LEU 151.A N ILE 147.A O no hydrogen 3.053 N/A LYS 152.A N TYR 148.A O no hydrogen 3.130 N/A PHE 153.A N ARG 149.A O no hydrogen 2.787 N/A LYS 154.A N ILE 150.A O no hydrogen 2.942 N/A LYS 154.A NZ ASN 158.A O no hydrogen 2.848 N/A LYS 154.A NZ ASP 185.A OD1 no hydrogen 3.279 N/A LYS 154.A NZ ASP 185.A OD2 no hydrogen 2.815 N/A GLU 155.A N LEU 151.A O no hydrogen 2.926 N/A GLN 156.A N LYS 152.A O no hydrogen 3.069 N/A ASP 157.A N LYS 154.A O no hydrogen 3.113 N/A ASN 158.A N PHE 153.A O no hydrogen 3.115 N/A ASN 158.A ND2 PHE 1.A O no hydrogen 3.046 N/A ASN 158.A ND2 PHE 153.A O no hydrogen 2.999 N/A VAL 160.A N ASP 185.A OD2 no hydrogen 2.864 N/A TYR 161.A N VAL 5.A O no hydrogen 2.741 N/A TYR 161.A OH GLU 4.A OE1 no hydrogen 2.572 N/A ILE 162.A N LEU 186.A O no hydrogen 2.873 N/A ASN 163.A N VAL 7.A O no hydrogen 2.824 N/A ASN 163.A ND2 SER 76.A OG no hydrogen 2.772 N/A ALA 164.A N TYR 188.A O no hydrogen 2.824 N/A THR 165.A N ASN 163.A OD1 no hydrogen 2.965 N/A THR 165.A OG1 ASN 163.A OD1 no hydrogen 2.740 N/A SER 172.A N LEU 168.A O no hydrogen 3.085 N/A SER 172.A OG PRO 166.A O no hydrogen 3.458 N/A SER 172.A OG LEU 168.A O no hydrogen 3.511 N/A ILE 173.A N LYS 169.A O no hydrogen 2.870 N/A PHE 174.A N PRO 170.A O no hydrogen 3.036 N/A LEU 175.A N GLU 171.A O no hydrogen 2.792 N/A THR 176.A N SER 172.A O no hydrogen 2.972 N/A THR 176.A OG1 SER 172.A O no hydrogen 2.990 N/A LEU 177.A N ILE 173.A O no hydrogen 3.091 N/A ALA 178.A N PHE 174.A O no hydrogen 2.879 N/A GLY 179.A N LEU 175.A O no hydrogen 2.783 N/A LEU 180.A N THR 176.A O no hydrogen 2.945 N/A LEU 181.A N LEU 177.A O no hydrogen 3.001 N/A ALA 182.A N ALA 178.A O no hydrogen 2.852 N/A GLY 183.A N LEU 180.A O no hydrogen 2.953 N/A ALA 184.A N GLY 179.A O no hydrogen 2.942 N/A ASP 185.A N VAL 160.A O no hydrogen 2.849 N/A ILE 187.A N SER 202.A OG no hydrogen 2.981 N/A TYR 188.A N ILE 162.A O no hydrogen 2.811 N/A TYR 189.A N VAL 198.A O no hydrogen 3.029 N/A LYS 190.A N THR 165.A OG1 no hydrogen 3.049 N/A LYS 190.A NZ ASP 75.A OD1 no hydrogen 2.801 N/A LYS 190.A NZ ASP 75.A OD2 no hydrogen 3.367 N/A LYS 190.A NZ SER 79.A OG no hydrogen 2.779 N/A TYR 191.A N ASP 196.A O no hydrogen 2.960 N/A GLU 193.A N GLU 193.A OE1 no hydrogen 2.475 N/A ASN 195.A N GLN 192.A O no hydrogen 3.011 N/A ASP 196.A N TYR 191.A O no hydrogen 3.172 N/A VAL 197.A N ASP 196.A OD1 no hydrogen 3.043 N/A VAL 198.A N TYR 189.A O no hydrogen 2.874 N/A LEU 200.A N ILE 187.A O no hydrogen 2.854 N/A SER 202.A OG LEU 200.A O no hydrogen 2.785 N/A THR 206.A OG1 TYR 266.A OH no hydrogen 3.301 N/A ILE 207.A N TYR 266.A OH no hydrogen 3.331 N/A LEU 212.A N ARG 208.A O no hydrogen 2.884 N/A ASP 213.A N PRO 209.A O no hydrogen 2.943 N/A TRP 214.A N LYS 210.A O no hydrogen 3.046 N/A LEU 215.A N TYR 211.A O no hydrogen 2.832 N/A ILE 216.A N LEU 212.A O no hydrogen 2.879 N/A ARG 217.A N ASP 213.A O no hydrogen 2.926 N/A ARG 217.A NE ASP 213.A OD1 no hydrogen 3.230 N/A ARG 217.A NH1 LEU 233.A O no hydrogen 2.742 N/A PHE 218.A N TRP 214.A O no hydrogen 3.008 N/A ALA 219.A N LEU 215.A O no hydrogen 2.942 N/A ILE 220.A N ILE 216.A O no hydrogen 2.934 N/A SER 221.A N ARG 217.A O no hydrogen 3.268 N/A SER 221.A N PHE 218.A O no hydrogen 3.155 N/A SER 221.A OG ARG 217.A O no hydrogen 2.856 N/A GLY 222.A N PHE 218.A O no hydrogen 2.989 N/A GLY 222.A N ALA 219.A O no hydrogen 3.232 N/A LEU 225.A N TYR 253.A O no hydrogen 2.965 N/A GLU 227.A N ASP 251.A O no hydrogen 2.777 N/A ARG 229.A N SER 226.A OG no hydrogen 2.993 N/A ALA 230.A N SER 226.A O no hydrogen 3.007 N/A GLU 231.A N GLU 227.A O no hydrogen 3.027 N/A GLU 232.A N LYS 228.A O no hydrogen 3.182 N/A LEU 233.A N ARG 229.A O no hydrogen 3.081 N/A GLY 234.A N GLU 231.A O no hydrogen 2.999 N/A ILE 235.A N ALA 230.A O no hydrogen 2.953 N/A LEU 240.A N PRO 236.A O no hydrogen 3.163 N/A GLU 241.A N VAL 237.A O no hydrogen 2.850 N/A ALA 242.A N ARG 238.A O no hydrogen 2.969 N/A LYS 243.A N LEU 239.A O no hydrogen 3.262 N/A GLU 246.A N ARG 254.A O no hydrogen 2.900 N/A LYS 248.A N ALA 252.A O no hydrogen 2.832 N/A ALA 252.A N LYS 248.A O no hydrogen 3.109 N/A TYR 253.A N LEU 225.A O no hydrogen 2.806 N/A ARG 254.A N GLU 246.A O no hydrogen 2.759 N/A ARG 254.A NH1 ASP 257.A OD1 no hydrogen 3.253 N/A ARG 254.A NH2 ASP 257.A OD1 no hydrogen 2.818 N/A LEU 255.A N TYR 223.A O no hydrogen 2.852 N/A LYS 256.A N LEU 244.A O no hydrogen 3.117 N/A ARG 260.A N LYS 256.A O no hydrogen 3.043 N/A ARG 260.A NE LEU 255.A O no hydrogen 2.807 N/A ARG 260.A NH2 LEU 255.A O no hydrogen 3.025 N/A LYS 261.A N ASP 257.A O no hydrogen 3.124 N/A LYS 261.A NZ ASP 144.A OD1 no hydrogen 2.721 N/A LYS 261.A NZ ASP 144.A OD2 no hydrogen 3.207 N/A LEU 262.A N TRP 258.A O no hydrogen 2.940 N/A LEU 263.A N VAL 259.A O no hydrogen 2.994 N/A GLY 264.A N ARG 260.A O no hydrogen 3.344 N/A GLY 264.A N LYS 261.A O no hydrogen 2.981 N/A ILE 265.A N LEU 262.A O no hydrogen 2.952 N/A TYR 266.A N LEU 263.A O no hydrogen 2.810 N/A TYR 266.A OH THR 206.A OG1 no hydrogen 3.301 N/A LEU 267.A N LEU 263.A O no hydrogen 2.889 N/A