Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u0y_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N GLN 55.A O no hydrogen 2.967 N/A ALA 1.A N ASP 148.A OD2 no hydrogen 2.954 N/A GLY 3.A N GLN 55.A OE1.B no hydrogen 3.008 N/A THR 21.A N LYS 18.A O no hydrogen 3.198 N/A ARG 24.A NE ASP 26.A OD1 no hydrogen 2.918 N/A ARG 24.A NH1 ASP 26.A OD1 no hydrogen 3.381 N/A ARG 24.A NH1 ASP 26.A OD2 no hydrogen 2.938 N/A ARG 24.A NH1 VAL 278.A O no hydrogen 3.081 N/A ARG 24.A NH2 GLU 40.A O no hydrogen 2.862 N/A ASP 26.A N ASP 26.A OD1 no hydrogen 2.576 N/A THR 31.A N ALA 35.A O no hydrogen 2.833 N/A THR 31.A OG1 ALA 35.A O no hydrogen 3.528 N/A TRP 33.A N THR 31.A OG1 no hydrogen 3.318 N/A TRP 33.A NE1 PRO 258.A O no hydrogen 2.774 N/A LEU 34.A N THR 31.A O no hydrogen 2.979 N/A ALA 35.A N THR 31.A OG1 no hydrogen 3.017 N/A ILE 37.A N VAL 29.A O no hydrogen 2.898 N/A VAL 38.A N VAL 261.A O no hydrogen 2.852 N/A TRP 39.A N THR 42.A OG1 no hydrogen 3.421 N/A TRP 39.A NE1 LEU 28.A O no hydrogen 2.930 N/A GLU 40.A N GLU 265.A OE1 no hydrogen 2.767 N/A GLU 40.A N GLU 265.A OE2 no hydrogen 3.225 N/A THR 42.A N TRP 39.A O no hydrogen 3.042 N/A THR 42.A OG1 TRP 39.A O no hydrogen 2.599 N/A ASP 46.A N ASN 44.A OD1 no hydrogen 2.786 N/A ILE 47.A N ASN 44.A OD1 no hydrogen 3.302 N/A LEU 48.A N ASN 44.A O no hydrogen 3.323 N/A ASN 49.A N ILE 45.A O no hydrogen 2.785 N/A GLU 50.A N ASP 46.A O no hydrogen 3.105 N/A GLN 51.A N ILE 47.A O no hydrogen 3.010 N/A PHE 52.A N LEU 48.A O no hydrogen 3.023 N/A ARG 53.A N ASN 49.A O no hydrogen 2.871 N/A ARG 53.A NH2 ASN 56.A OD1.A no hydrogen 2.892 N/A LEU 54.A N GLU 50.A O no hydrogen 3.017 N/A GLN 55.A N PHE 52.A O no hydrogen 3.192 N/A GLN 55.A NE2.B GLN 51.A O no hydrogen 2.954 N/A ASN 56.A N ARG 53.A O no hydrogen 2.845 N/A THR 57.A N PHE 52.A O no hydrogen 3.285 N/A THR 57.A OG1 PHE 52.A O no hydrogen 2.729 N/A THR 58.A N ASP 148.A OD2 no hydrogen 2.810 N/A ILE 59.A N ARG 89.A O no hydrogen 2.896 N/A GLY 60.A N TYR 149.A O no hydrogen 2.768 N/A LEU 61.A N HIS 91.A O no hydrogen 2.911 N/A THR 62.A N VAL 151.A O no hydrogen 2.863 N/A VAL 63.A N TYR 93.A O no hydrogen 3.035 N/A ALA 65.A N PHE 95.A O no hydrogen 2.813 N/A LYS 67.A N ASP 97.A OD1 no hydrogen 2.937 N/A LYS 67.A NZ TYR 121.A O no hydrogen 2.914 N/A TYR 69.A N ILE 66.A O no hydrogen 3.130 N/A VAL 70.A N LYS 67.A O no hydrogen 3.359 N/A ALA 71.A N LYS 68.A O no hydrogen 3.202 N/A PHE 72.A N TYR 69.A O no hydrogen 2.988 N/A LEU 73.A N VAL 70.A O no hydrogen 3.168 N/A LYS 74.A NZ.B GLU 78.A OE1 no hydrogen 2.807 N/A LYS 74.A NZ.B ARG 104.A O no hydrogen 3.429 N/A PHE 76.A N PHE 72.A O no hydrogen 3.153 N/A LEU 77.A N LEU 73.A O no hydrogen 2.888 N/A GLU 78.A N LYS 74.A O no hydrogen 2.936 N/A THR 79.A N LEU 75.A O no hydrogen 3.030 N/A THR 79.A OG1 LEU 75.A O no hydrogen 2.839 N/A THR 79.A OG1 PHE 76.A O no hydrogen 3.203 N/A ALA 80.A N PHE 76.A O no hydrogen 2.929 N/A GLU 81.A N LEU 77.A O no hydrogen 3.006 N/A LYS 82.A N THR 79.A O no hydrogen 3.028 N/A HIS 83.A N ALA 80.A O no hydrogen 3.213 N/A PHE 84.A N ALA 80.A O no hydrogen 2.854 N/A MET 85.A N VAL 163.A O no hydrogen 2.865 N/A HIS 88.A N MET 85.A O no hydrogen 3.018 N/A HIS 88.A NE2 ASN 49.A OD1 no hydrogen 2.789 N/A ARG 89.A NE.A GLY 110.A O no hydrogen 3.105 N/A VAL 90.A N GLY 110.A O no hydrogen 3.218 N/A HIS 91.A N ILE 59.A O no hydrogen 2.837 N/A HIS 91.A NE2 SER 114.A OG no hydrogen 2.640 N/A TYR 92.A N GLN 112.A O no hydrogen 2.815 N/A TYR 92.A OH GLU 81.A OE1 no hydrogen 2.622 N/A TYR 93.A N LEU 61.A O no hydrogen 2.858 N/A TYR 93.A OH GLU 146.A OE2 no hydrogen 2.614 N/A VAL 94.A N SER 114.A O no hydrogen 2.879 N/A PHE 95.A N VAL 63.A O no hydrogen 2.880 N/A THR 96.A N LEU 116.A O no hydrogen 2.897 N/A THR 96.A OG1 ALA 65.A O no hydrogen 2.728 N/A GLN 98.A N THR 96.A OG1 no hydrogen 3.028 N/A GLN 98.A NE2 LYS 67.A O no hydrogen 2.682 N/A GLN 98.A NE2 ASP 97.A OD1 no hydrogen 3.071 N/A ALA 101.A N GLN 98.A O no hydrogen 2.906 N/A VAL 102.A N PRO 99.A O no hydrogen 3.216 N/A GLY 108.A N GLU 81.A OE2 no hydrogen 2.779 N/A ARG 111.A N GLY 108.A O no hydrogen 3.229 N/A ARG 111.A NE GLU 81.A OE1 no hydrogen 2.806 N/A ARG 111.A NH1 PHE 84.A O no hydrogen 2.974 N/A ARG 111.A NH1 MET 85.A O no hydrogen 3.406 N/A ARG 111.A NH2 PHE 84.A O no hydrogen 2.834 N/A ARG 111.A NH2 TYR 92.A OH no hydrogen 2.949 N/A GLN 112.A N VAL 90.A O no hydrogen 2.955 N/A SER 114.A N TYR 92.A O no hydrogen 2.825 N/A SER 114.A OG HIS 91.A NE2 no hydrogen 2.640 N/A LEU 116.A N VAL 94.A O no hydrogen 2.774 N/A VAL 118.A N THR 96.A O no hydrogen 2.991 N/A ARG 123.A NH1 ASP 126.A OD2 no hydrogen 3.114 N/A ARG 123.A NH1 GLU 240.A OE1 no hydrogen 3.097 N/A ARG 123.A NH2 GLU 240.A OE1 no hydrogen 3.438 N/A ARG 123.A NH2 GLU 240.A OE2 no hydrogen 3.198 N/A GLN 125.A N GLN 125.A OE1 no hydrogen 2.778 N/A VAL 127.A N ARG 123.A O no hydrogen 3.008 N/A SER 128.A N TRP 124.A O no hydrogen 2.875 N/A SER 128.A OG ASP 245.A OD1 no hydrogen 2.674 N/A SER 128.A OG ASP 245.A OD2 no hydrogen 3.289 N/A MET 129.A N GLN 125.A O no hydrogen 2.962 N/A ARG 130.A N ASP 126.A O no hydrogen 2.860 N/A ARG 130.A NH1 GLU 133.A OE1 no hydrogen 2.808 N/A ARG 131.A NE SER 128.A O no hydrogen 3.081 N/A ARG 131.A NH1 ASP 154.A OD1 no hydrogen 2.831 N/A ARG 131.A NH2 ASP 245.A OD2 no hydrogen 2.806 N/A MET 132.A N MET 129.A O no hydrogen 3.143 N/A MET 134.A N ARG 130.A O no hydrogen 3.024 N/A ILE 135.A N ARG 131.A O no hydrogen 2.815 N/A SER 136.A N MET 132.A O no hydrogen 2.956 N/A SER 136.A OG GLN 221.A O no hydrogen 3.441 N/A ASP 137.A N GLU 133.A O no hydrogen 2.869 N/A PHE 138.A N MET 134.A O no hydrogen 3.025 N/A CYS 139.A N ILE 135.A O no hydrogen 2.980 N/A CYS 139.A N SER 136.A O no hydrogen 3.094 N/A CYS 139.A SG ILE 135.A O no hydrogen 3.402 N/A ARG 141.A N ASP 137.A O no hydrogen 3.013 N/A ARG 141.A NH1 ASP 137.A OD2.B no hydrogen 3.222 N/A ARG 142.A N PHE 138.A O no hydrogen 2.832 N/A ARG 142.A NE GLU 146.A OE1 no hydrogen 2.689 N/A ARG 142.A NE GLU 146.A OE2 no hydrogen 3.367 N/A ARG 142.A NH2 SER 114.A OG no hydrogen 2.987 N/A ARG 142.A NH2 GLU 146.A OE1 no hydrogen 3.387 N/A ARG 142.A NH2 GLU 146.A OE2 no hydrogen 2.924 N/A PHE 143.A N PHE 138.A O no hydrogen 2.886 N/A LEU 144.A N CYS 139.A O no hydrogen 3.021 N/A SER 145.A N ARG 142.A O no hydrogen 3.200 N/A GLU 146.A N PHE 143.A O no hydrogen 3.060 N/A VAL 147.A N PHE 143.A O no hydrogen 3.032 N/A ASP 148.A N THR 58.A O no hydrogen 2.893 N/A TYR 149.A N THR 58.A O no hydrogen 3.299 N/A LEU 150.A N GLY 215.A O no hydrogen 2.812 N/A VAL 151.A N GLY 60.A O no hydrogen 2.770 N/A CYS 152.A N PHE 213.A O no hydrogen 2.815 N/A CYS 152.A SG THR 62.A OG1 no hydrogen 3.424 N/A VAL 153.A N THR 62.A O no hydrogen 3.121 N/A ASP 154.A N ALA 211.A O no hydrogen 3.144 N/A ASP 156.A N ASP 156.A OD1 no hydrogen 2.609 N/A MET 157.A N VAL 155.A O no hydrogen 2.798 N/A GLU 158.A N THR 285.A O no hydrogen 2.905 N/A PHE 159.A N THR 79.A OG1 no hydrogen 2.888 N/A ARG 160.A N ARG 283.A O no hydrogen 2.778 N/A ARG 160.A NH1 GLN 270.A OE1 no hydrogen 2.996 N/A ARG 160.A NH1 THR 285.A OG1 no hydrogen 2.933 N/A ARG 160.A NH2 GLN 270.A OE1 no hydrogen 2.953 N/A ASP 161.A N ARG 283.A O no hydrogen 3.315 N/A HIS 162.A N ASP 161.A OD1 no hydrogen 2.712 N/A HIS 162.A NE2 GLU 166.A OE2 no hydrogen 2.778 N/A VAL 163.A N HIS 83.A O no hydrogen 2.978 N/A GLY 164.A N GLU 166.A OE1 no hydrogen 2.942 N/A GLU 166.A N GLU 166.A OE2 no hydrogen 2.854 N/A ILE 167.A N GLY 164.A O no hydrogen 3.136 N/A LEU 168.A N VAL 165.A O no hydrogen 3.005 N/A THR 169.A OG1 THR 259.A OG1 no hydrogen 2.619 N/A LEU 171.A N THR 259.A OG1 no hydrogen 3.076 N/A PHE 172.A N GLY 214.A O no hydrogen 2.886 N/A THR 174.A OG1.A PHE 212.A O no hydrogen 2.942 N/A LEU 175.A N LEU 262.A O no hydrogen 2.844 N/A HIS 176.A N TYR 207.A O no hydrogen 2.983 N/A GLY 178.A N HIS 176.A ND1 no hydrogen 2.924 N/A PHE 179.A N HIS 176.A O no hydrogen 3.191 N/A SER 182.A N PHE 179.A O no hydrogen 2.852 N/A ARG 184.A NE GLY 204.A O no hydrogen 2.785 N/A ARG 184.A NH2 GLY 204.A O no hydrogen 2.907 N/A GLU 185.A N GLU 185.A OE1 no hydrogen 2.583 N/A ALA 186.A N SER 183.A O no hydrogen 2.871 N/A PHE 187.A N ARG 184.A O no hydrogen 3.209 N/A THR 188.A OG1 TYR 207.A OH no hydrogen 3.341 N/A TYR 189.A OH PHE 206.A O no hydrogen 2.613 N/A ARG 191.A NH1 ILE 199.A O no hydrogen 2.890 N/A ARG 191.A NH2 ARG 184.A O no hydrogen 2.922 N/A ARG 191.A NH2 PHE 187.A O no hydrogen 3.006 N/A ARG 192.A N GLU 190.A OE1 no hydrogen 2.953 N/A ARG 192.A NE GLU 190.A OE1 no hydrogen 3.127 N/A ARG 192.A NH2 GLU 190.A OE2 no hydrogen 3.117 N/A ARG 192.A NH2 GLU 240.A O no hydrogen 2.796 N/A SER 195.A N ARG 192.A O no hydrogen 3.042 N/A SER 195.A OG ASP 234.A OD1 no hydrogen 2.686 N/A SER 195.A OG ASP 234.A OD2 no hydrogen 3.554 N/A GLN 196.A N ASP 234.A OD2 no hydrogen 2.775 N/A ALA 197.A N SER 195.A OG no hydrogen 3.001 N/A TYR 198.A N SER 195.A O no hydrogen 3.061 N/A ILE 199.A N GLU 190.A O no hydrogen 3.010 N/A GLU 203.A N PRO 200.A O no hydrogen 3.107 N/A TYR 207.A OH GLU 246.A OE1 no hydrogen 2.589 N/A TYR 208.A N ASN 250.A OD1 no hydrogen 2.817 N/A GLY 209.A N THR 174.A O no hydrogen 2.826 N/A GLY 210.A N GLU 246.A OE2 no hydrogen 2.795 N/A PHE 213.A N CYS 152.A O no hydrogen 3.139 N/A GLY 214.A N PHE 172.A O no hydrogen 3.130 N/A GLY 215.A N LEU 150.A O no hydrogen 2.945 N/A SER 216.A N PRO 170.A O no hydrogen 2.911 N/A VAL 217.A N ASP 148.A O no hydrogen 3.266 N/A GLU 219.A N SER 216.A OG no hydrogen 3.164 N/A VAL 220.A N SER 216.A O no hydrogen 2.906 N/A GLN 221.A N VAL 217.A O no hydrogen 2.800 N/A GLN 221.A NE2 GLU 140.A OE1 no hydrogen 2.915 N/A ARG 222.A N GLN 218.A O no hydrogen 3.092 N/A LEU 223.A N GLU 219.A O no hydrogen 2.954 N/A THR 224.A N VAL 220.A O no hydrogen 2.900 N/A THR 224.A OG1 VAL 220.A O no hydrogen 2.812 N/A THR 224.A OG1 GLN 221.A O no hydrogen 3.335 N/A ARG 225.A N GLN 221.A O no hydrogen 2.977 N/A ALA 226.A N ARG 222.A O no hydrogen 2.967 N/A CYS 227.A N LEU 223.A O no hydrogen 2.907 N/A CYS 227.A SG LEU 223.A O no hydrogen 3.412 N/A HIS 228.A N THR 224.A O no hydrogen 2.915 N/A GLN 229.A N ARG 225.A O no hydrogen 2.920 N/A ALA 230.A N ALA 226.A O no hydrogen 2.937 N/A MET 231.A N CYS 227.A O no hydrogen 2.886 N/A MET 232.A N HIS 228.A O no hydrogen 2.980 N/A VAL 233.A N GLN 229.A O no hydrogen 3.014 N/A ASP 234.A N ALA 230.A O no hydrogen 2.957 N/A GLN 235.A N MET 231.A O no hydrogen 2.890 N/A ALA 236.A N MET 232.A O no hydrogen 3.022 N/A ASN 237.A N VAL 233.A O no hydrogen 2.988 N/A GLY 238.A N GLN 235.A O no hydrogen 2.883 N/A ILE 239.A N ASP 234.A O no hydrogen 2.753 N/A VAL 242.A N GLU 190.A OE2 no hydrogen 2.797 N/A TRP 243.A N SER 247.A OG no hydrogen 2.925 N/A HIS 244.A N ALA 241.A O no hydrogen 2.991 N/A SER 247.A N TRP 243.A O no hydrogen 3.430 N/A SER 247.A N HIS 244.A O no hydrogen 3.079 N/A HIS 248.A N HIS 244.A O no hydrogen 3.445 N/A LEU 249.A N ASP 245.A O no hydrogen 2.842 N/A ASN 250.A N GLU 246.A O no hydrogen 2.979 N/A ASN 250.A ND2 TYR 208.A O no hydrogen 2.940 N/A ASN 250.A ND2 GLU 246.A O no hydrogen 2.924 N/A LYS 251.A N SER 247.A O no hydrogen 3.095 N/A LYS 251.A NZ GLN 196.A O no hydrogen 2.869 N/A LYS 251.A NZ TYR 198.A O no hydrogen 3.193 N/A TYR 252.A N HIS 248.A O no hydrogen 2.872 N/A LEU 253.A N LEU 249.A O no hydrogen 2.979 N/A LEU 254.A N ASN 250.A O no hydrogen 2.981 N/A ARG 255.A N LYS 251.A O no hydrogen 3.310 N/A HIS 256.A N TYR 252.A O no hydrogen 2.809 N/A HIS 256.A ND1 TYR 252.A O no hydrogen 2.856 N/A LYS 257.A NZ ASP 205.A OD2 no hydrogen 2.711 N/A LYS 257.A NZ LEU 254.A O no hydrogen 2.852 N/A THR 259.A N LEU 171.A O no hydrogen 2.721 N/A THR 259.A OG1 THR 169.A OG1 no hydrogen 2.619 N/A THR 259.A OG1 LEU 171.A O no hydrogen 3.134 N/A LYS 260.A N LEU 171.A O no hydrogen 3.415 N/A LYS 260.A NZ GLU 166.A O no hydrogen 2.715 N/A LYS 260.A NZ LEU 168.A O no hydrogen 2.872 N/A VAL 261.A N PRO 36.A O no hydrogen 2.960 N/A LEU 262.A N GLY 173.A O no hydrogen 2.825 N/A SER 263.A N VAL 38.A O no hydrogen 3.143 N/A SER 263.A OG VAL 38.A O no hydrogen 2.771 N/A GLU 265.A N SER 263.A OG no hydrogen 3.383 N/A TYR 266.A N SER 263.A O no hydrogen 3.004 N/A TYR 266.A OH GLU 166.A OE1 no hydrogen 2.615 N/A LEU 267.A N PRO 264.A O no hydrogen 3.030 N/A TRP 268.A N PHE 284.A O no hydrogen 3.072 N/A TRP 268.A NE1 GLY 274.A O no hydrogen 2.855 N/A LEU 272.A N ASP 269.A OD1 no hydrogen 3.053 N/A LEU 273.A N ASP 269.A O no hydrogen 2.936 N/A GLY 274.A N GLN 270.A O no hydrogen 2.876 N/A TRP 275.A NE1 LEU 279.A O no hydrogen 2.735 N/A LEU 279.A N PRO 276.A O no hydrogen 2.853 N/A LYS 281.A NZ.A ASP 161.A OD1 no hydrogen 3.384 N/A LYS 281.A NZ.B ASP 161.A OD1 no hydrogen 3.514 N/A LYS 281.A NZ.B ASP 161.A OD2 no hydrogen 3.028 N/A ARG 283.A N GLU 265.A O no hydrogen 2.794 N/A ARG 283.A NE GLU 265.A OE2 no hydrogen 2.781 N/A ARG 283.A NH1 HIS 162.A O no hydrogen 2.883 N/A ARG 283.A NH2 GLU 40.A OE1 no hydrogen 2.783 N/A ARG 283.A NH2 GLU 265.A OE2 no hydrogen 2.927 N/A THR 285.A N GLU 158.A O no hydrogen 2.934 N/A ALA 286.A N TRP 268.A O no hydrogen 2.872 N/A VAL 287.A N ASP 156.A O no hydrogen 3.051 N/A