Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bqr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 5.A N MET 2.A O no hydrogen 3.017 N/A HIS 6.A N VAL 3.A O no hydrogen 2.965 N/A HIS 6.A ND1 MET 2.A O no hydrogen 3.000 N/A TYR 7.A N GLU 4.A O no hydrogen 3.348 N/A TYR 7.A OH GLN 26.A OE1 no hydrogen 3.335 N/A TYR 7.A OH ASP 75.A OD2 no hydrogen 3.043 N/A GLU 8.A N ARG 25.A O no hydrogen 2.926 N/A GLY 10.A N LYS 23.A O no hydrogen 2.666 N/A GLU 11.A N GLU 11.A OE1 no hydrogen 2.743 N/A LEU 13.A N VAL 21.A O no hydrogen 2.740 N/A GLY 14.A N VAL 21.A O no hydrogen 3.321 N/A SER 15.A OG GLU 12.A OE2 no hydrogen 2.611 N/A GLY 16.A N ALA 19.A O no hydrogen 2.794 N/A ILE 20.A N PHE 37.A O no hydrogen 3.037 N/A VAL 21.A N GLY 14.A O no hydrogen 2.896 N/A ARG 22.A N ALA 35.A O no hydrogen 2.822 N/A ARG 22.A NH1.B GLY 10.A O no hydrogen 2.990 N/A LYS 23.A N GLU 11.A O no hydrogen 2.821 N/A LYS 23.A NZ GLU 11.A OE2 no hydrogen 3.310 N/A CYS 24.A N TYR 33.A O no hydrogen 2.901 N/A CYS 24.A SG TYR 33.A O no hydrogen 3.798 N/A ARG 25.A N GLU 8.A O no hydrogen 3.105 N/A ARG 25.A NH1 GLY 30.A O no hydrogen 2.766 N/A GLN 26.A N LYS 31.A O no hydrogen 2.786 N/A LYS 27.A N HIS 6.A O no hydrogen 2.829 N/A LYS 27.A NZ ASP 5.A O no hydrogen 2.811 N/A GLY 30.A N GLN 26.A O no hydrogen 2.769 N/A LYS 31.A N THR 29.A OG1 no hydrogen 3.092 N/A LYS 31.A NZ TYR 33.A OH no hydrogen 2.617 N/A TYR 33.A N CYS 24.A O no hydrogen 2.894 N/A ALA 34.A N LEU 87.A O no hydrogen 2.828 N/A ALA 35.A N ARG 22.A O no hydrogen 2.747 N/A LYS 36.A N LEU 85.A O no hydrogen 2.781 N/A LYS 36.A NZ GLU 58.A OE2 no hydrogen 2.643 N/A PHE 37.A N ILE 20.A O no hydrogen 2.761 N/A ILE 38.A N VAL 83.A O no hydrogen 2.871 N/A LYS 39.A N PHE 18.A O no hydrogen 3.167 N/A LYS 39.A NZ ASP 82.A OD1 no hydrogen 3.428 N/A LYS 39.A NZ ASP 82.A OD2 no hydrogen 3.100 N/A LYS 40.A N THR 81.A O no hydrogen 2.919 N/A LYS 40.A NZ GLU 78.A OE2 no hydrogen 2.731 N/A LYS 40.A NZ ASN 79.A O no hydrogen 2.777 N/A LYS 40.A NZ LYS 80.A O no hydrogen 3.301 N/A ARG 41.A N VAL 50.A O no hydrogen 2.919 N/A ARG 41.A NE ARG 48.A O no hydrogen 2.918 N/A ARG 41.A NH1 GLY 49.A O no hydrogen 3.117 N/A SER 46.A N LEU 43.A O no hydrogen 2.753 N/A SER 46.A OG ARG 48.A O no hydrogen 3.500 N/A ARG 48.A N SER 46.A OG no hydrogen 2.921 N/A VAL 50.A N LYS 39.A O no hydrogen 2.981 N/A SER 51.A N GLU 54.A OE1 no hydrogen 2.848 N/A SER 51.A OG GLU 54.A OE1 no hydrogen 3.044 N/A ARG 52.A NH1 GLU 78.A OE1 no hydrogen 3.066 N/A ARG 52.A NH1 GLU 78.A OE2 no hydrogen 3.517 N/A ARG 52.A NH2 GLU 78.A OE2 no hydrogen 2.955 N/A GLU 54.A N SER 51.A OG no hydrogen 3.026 N/A ILE 55.A N SER 51.A O no hydrogen 3.025 N/A GLU 56.A N ARG 52.A O no hydrogen 2.893 N/A ARG 57.A N GLU 53.A O no hydrogen 3.045 N/A ARG 57.A NH2.B GLY 157.A O no hydrogen 2.849 N/A GLU 58.A N GLU 54.A O no hydrogen 3.300 N/A VAL 59.A N ILE 55.A O no hydrogen 2.958 N/A ASN 60.A N GLU 56.A O no hydrogen 2.790 N/A ILE 61.A N ARG 57.A O no hydrogen 3.124 N/A LEU 62.A N GLU 58.A O no hydrogen 2.880 N/A ARG 63.A N VAL 59.A O no hydrogen 2.877 N/A GLU 64.A N ASN 60.A O no hydrogen 3.139 N/A GLU 64.A N ILE 61.A O no hydrogen 3.112 N/A ILE 65.A N ILE 61.A O no hydrogen 3.234 N/A ARG 66.A N TYR 123.A OH no hydrogen 2.839 N/A HIS 67.A NE2 ASP 119.A OD1.B no hydrogen 3.241 N/A ASN 69.A N HIS 67.A ND1 no hydrogen 2.986 N/A ASN 69.A ND2 GLN 116.A OE1 no hydrogen 3.032 N/A ASN 69.A ND2 ILE 151.A O no hydrogen 2.975 N/A ILE 70.A N HIS 67.A O no hydrogen 3.064 N/A ILE 71.A N LEU 153.A O no hydrogen 3.010 N/A THR 72.A N GLU 88.A OE1 no hydrogen 3.002 N/A THR 72.A OG1 GLU 88.A OE1 no hydrogen 3.554 N/A HIS 74.A N ILE 86.A O no hydrogen 2.714 N/A HIS 74.A NE2 GLN 26.A OE1 no hydrogen 2.821 N/A ASP 75.A N ILE 86.A O no hydrogen 3.201 N/A ILE 76.A N ASP 75.A OD1 no hydrogen 2.923 N/A PHE 77.A N VAL 84.A O no hydrogen 2.972 N/A ASN 79.A N ASP 82.A O no hydrogen 2.945 N/A ASN 79.A ND2 GLU 4.A OE2 no hydrogen 3.251 N/A THR 81.A N ASN 79.A OD1 no hydrogen 3.104 N/A THR 81.A OG1 ASN 79.A OD1 no hydrogen 3.439 N/A THR 81.A OG1 ASP 82.A OD2 no hydrogen 2.823 N/A ASP 82.A N ASN 79.A OD1 no hydrogen 2.811 N/A VAL 83.A N ILE 38.A O no hydrogen 2.967 N/A VAL 84.A N PHE 77.A O no hydrogen 2.685 N/A LEU 85.A N LYS 36.A O no hydrogen 2.876 N/A ILE 86.A N ASP 75.A O no hydrogen 2.849 N/A LEU 87.A N ALA 34.A O no hydrogen 2.756 N/A GLU 88.A N THR 72.A O no hydrogen 2.957 N/A GLY 92.A N LEU 141.A O no hydrogen 2.859 N/A GLU 94.A N ASP 97.A OD2 no hydrogen 2.947 N/A LEU 95.A N ILE 139.A O no hydrogen 2.741 N/A PHE 96.A N PRO 136.A O no hydrogen 3.263 N/A PHE 98.A N GLU 94.A O no hydrogen 3.164 N/A LEU 99.A N LEU 95.A O no hydrogen 2.927 N/A ALA 100.A N PHE 96.A O no hydrogen 3.095 N/A GLU 101.A N ASP 97.A O no hydrogen 3.074 N/A GLU 101.A N PHE 98.A O no hydrogen 3.212 N/A LYS 102.A N PHE 98.A O no hydrogen 3.049 N/A LYS 102.A NZ GLU 109.A OE2 no hydrogen 2.928 N/A GLU 103.A N LEU 99.A O no hydrogen 2.694 N/A LEU 105.A N LEU 201.A O no hydrogen 2.800 N/A THR 106.A N GLU 109.A OE1 no hydrogen 3.043 N/A GLU 109.A N THR 106.A OG1 no hydrogen 3.107 N/A ALA 110.A N THR 106.A O no hydrogen 2.790 N/A THR 111.A N GLU 107.A O no hydrogen 2.928 N/A THR 111.A OG1 GLU 107.A O no hydrogen 2.851 N/A THR 111.A OG1 ASP 108.A O no hydrogen 3.007 N/A GLN 112.A N ASP 108.A O no hydrogen 3.136 N/A PHE 113.A N GLU 109.A O no hydrogen 3.367 N/A LEU 114.A N ALA 110.A O no hydrogen 2.896 N/A LYS 115.A N THR 111.A O no hydrogen 2.801 N/A LYS 115.A NZ.B ASP 119.A OD2.A no hydrogen 2.808 N/A GLN 116.A NE2 GLN 112.A O no hydrogen 3.231 N/A GLN 116.A NE2 PRO 149.A O no hydrogen 2.995 N/A ILE 117.A N PHE 113.A O no hydrogen 3.003 N/A LEU 118.A N LEU 114.A O no hydrogen 2.784 N/A ASP 119.A N LYS 115.A O no hydrogen 2.976 N/A GLY 120.A N GLN 116.A O no hydrogen 3.012 N/A VAL 121.A N ILE 117.A O no hydrogen 2.859 N/A HIS 122.A N LEU 118.A O no hydrogen 2.726 N/A TYR 123.A N ASP 119.A O no hydrogen 3.029 N/A LEU 124.A N GLY 120.A O no hydrogen 3.098 N/A HIS 125.A N VAL 121.A O no hydrogen 2.722 N/A HIS 125.A NE2 ASP 190.A OD2 no hydrogen 2.801 N/A SER 126.A N HIS 122.A O no hydrogen 2.940 N/A SER 126.A OG TYR 123.A O no hydrogen 2.537 N/A LYS 127.A N TYR 123.A O no hydrogen 3.342 N/A LYS 127.A N LEU 124.A O no hydrogen 3.020 N/A LYS 127.A NZ GLU 64.A OE2 no hydrogen 3.470 N/A ARG 128.A N HIS 125.A O no hydrogen 2.925 N/A ARG 128.A NH1 ILE 162.A O no hydrogen 3.330 N/A ILE 129.A N LEU 124.A O no hydrogen 2.952 N/A ALA 130.A N HIS 160.A O no hydrogen 2.913 N/A HIS 131.A N ASP 190.A OD2 no hydrogen 2.881 N/A HIS 131.A NE2 ILE 154.A O no hydrogen 2.808 N/A PHE 132.A N ASP 190.A OD1 no hydrogen 2.920 N/A ASP 133.A N HIS 131.A ND1 no hydrogen 3.005 N/A GLU 137.A N GLU 137.A OE1.B no hydrogen 2.778 N/A ASN 138.A N LYS 135.A O no hydrogen 2.882 N/A ASN 138.A ND2 ASP 133.A O no hydrogen 2.765 N/A ASN 138.A ND2 ASP 133.A OD2 no hydrogen 3.285 N/A ILE 139.A N PRO 136.A O no hydrogen 3.302 N/A MET 140.A N LYS 152.A O no hydrogen 2.865 N/A LEU 141.A N GLY 93.A O no hydrogen 2.878 N/A LEU 142.A N ARG 150.A O no hydrogen 2.950 N/A ASN 145.A N ASP 143.A OD1 no hydrogen 2.831 N/A ASN 148.A ND2 ASN 273.A O no hydrogen 3.427 N/A ILE 151.A N GLN 116.A OE1 no hydrogen 3.000 N/A LYS 152.A N MET 140.A O no hydrogen 2.817 N/A LYS 152.A NZ PRO 68.A O no hydrogen 3.168 N/A LYS 152.A NZ ILE 70.A O no hydrogen 3.126 N/A LYS 152.A NZ GLU 88.A OE1 no hydrogen 3.205 N/A LYS 152.A NZ GLU 88.A OE2 no hydrogen 3.538 N/A LEU 153.A N ASN 69.A O no hydrogen 2.834 N/A ILE 154.A N ASN 138.A O no hydrogen 3.014 N/A GLY 157.A N ASP 155.A OD1 no hydrogen 3.168 N/A ALA 159.A N PHE 156.A O no hydrogen 3.237 N/A HIS 160.A N ALA 130.A O no hydrogen 3.024 N/A HIS 160.A ND1 ILE 158.A O no hydrogen 2.795 N/A LYS 161.A NZ GLU 64.A OE1 no hydrogen 3.054 N/A LYS 161.A NZ GLU 64.A OE2 no hydrogen 3.172 N/A LYS 161.A NZ LYS 127.A O no hydrogen 2.695 N/A ILE 162.A N ARG 128.A O no hydrogen 2.734 N/A THR 171.A OG1 GLU 173.A OE1 no hydrogen 2.549 N/A GLU 173.A N THR 171.A OG1 no hydrogen 3.083 N/A VAL 175.A N PRO 172.A O no hydrogen 3.099 N/A GLU 178.A N GLU 178.A OE1 no hydrogen 2.823 N/A ILE 179.A N ALA 176.A O no hydrogen 2.996 N/A VAL 180.A N ALA 176.A O no hydrogen 2.969 N/A ASN 181.A N PRO 177.A O no hydrogen 2.887 N/A TYR 182.A N ILE 179.A O no hydrogen 3.084 N/A GLU 188.A N GLU 188.A OE1 no hydrogen 2.815 N/A ALA 189.A N GLY 186.A O no hydrogen 3.210 N/A ASP 190.A N LEU 187.A O no hydrogen 3.099 N/A TRP 192.A N GLU 188.A O no hydrogen 3.192 N/A SER 193.A N ALA 189.A O no hydrogen 3.126 N/A SER 193.A OG ALA 189.A O no hydrogen 3.293 N/A ILE 194.A N ASP 190.A O no hydrogen 3.019 N/A GLY 195.A N MET 191.A O no hydrogen 3.069 N/A VAL 196.A N TRP 192.A O no hydrogen 3.137 N/A ILE 197.A N SER 193.A O no hydrogen 2.853 N/A THR 198.A N ILE 194.A O no hydrogen 2.910 N/A THR 198.A OG1 ILE 194.A O no hydrogen 2.781 N/A TYR 199.A N GLY 195.A O no hydrogen 3.002 N/A TYR 199.A OH ASP 226.A O no hydrogen 2.611 N/A ILE 200.A N VAL 196.A O no hydrogen 2.986 N/A LEU 201.A N ILE 197.A O no hydrogen 2.909 N/A LEU 202.A N THR 198.A O no hydrogen 3.171 N/A SER 203.A N ILE 200.A O no hydrogen 3.337 N/A SER 203.A OG TYR 199.A O no hydrogen 2.776 N/A SER 203.A OG ALA 205.A O no hydrogen 3.276 N/A GLY 204.A N ILE 200.A O no hydrogen 2.749 N/A ALA 205.A N SER 203.A OG no hydrogen 2.948 N/A GLY 210.A N THR 216.A OG1 no hydrogen 2.940 N/A GLU 211.A N GLU 215.A OE1 no hydrogen 3.287 N/A THR 212.A OG1 GLU 215.A OE2 no hydrogen 3.278 N/A GLU 215.A N THR 212.A OG1 no hydrogen 2.979 N/A THR 216.A N THR 212.A O no hydrogen 3.077 N/A THR 216.A OG1 THR 212.A O no hydrogen 3.355 N/A LEU 217.A N LYS 213.A O no hydrogen 3.025 N/A THR 218.A N GLN 214.A O no hydrogen 2.993 N/A THR 218.A OG1 GLN 214.A O no hydrogen 2.973 N/A THR 218.A OG1 GLN 214.A OE1 no hydrogen 3.308 N/A ASN 219.A N GLU 215.A O no hydrogen 2.886 N/A ASN 219.A ND2 PHE 208.A O no hydrogen 2.946 N/A ILE 220.A N THR 216.A O no hydrogen 2.894 N/A SER 221.A N LEU 217.A O no hydrogen 3.009 N/A SER 221.A OG.B LEU 217.A O no hydrogen 2.874 N/A ALA 222.A N THR 218.A O no hydrogen 3.061 N/A VAL 223.A N ILE 220.A O no hydrogen 2.951 N/A ASN 224.A N ASN 219.A O no hydrogen 2.877 N/A ASN 224.A ND2 ASN 219.A OD1 no hydrogen 3.220 N/A GLU 230.A N ASP 228.A OD1 no hydrogen 2.834 N/A TYR 231.A N ASP 228.A O no hydrogen 3.008 N/A PHE 232.A N ASP 228.A O no hydrogen 2.936 N/A THR 235.A N PHE 232.A O no hydrogen 3.110 N/A SER 236.A N GLU 107.A OE2 no hydrogen 2.761 N/A SER 236.A OG GLU 107.A OE1 no hydrogen 2.679 N/A SER 236.A OG GLU 107.A OE2 no hydrogen 3.410 N/A ALA 239.A N SER 236.A OG no hydrogen 3.022 N/A LYS 240.A N SER 236.A O no hydrogen 3.125 N/A LYS 240.A NZ GLU 237.A OE2 no hydrogen 2.819 N/A ASP 241.A N GLU 237.A O no hydrogen 2.824 N/A PHE 242.A N LEU 238.A O no hydrogen 3.017 N/A ILE 243.A N ALA 239.A O no hydrogen 3.217 N/A ARG 244.A N LYS 240.A O no hydrogen 2.892 N/A ARG 245.A N ASP 241.A O no hydrogen 2.976 N/A LEU 246.A N ILE 243.A O no hydrogen 3.015 N/A LEU 247.A N ILE 243.A O no hydrogen 2.893 N/A LYS 249.A NZ SER 221.A O no hydrogen 2.682 N/A LYS 249.A NZ SER 221.A OG.A no hydrogen 2.847 N/A LYS 252.A N ASP 250.A OD1 no hydrogen 3.082 N/A ARG 253.A N ASP 250.A O no hydrogen 2.881 N/A ARG 254.A N PRO 251.A O no hydrogen 3.184 N/A ARG 254.A NE VAL 248.A O no hydrogen 2.898 N/A ARG 254.A NH1 GLU 188.A O no hydrogen 2.909 N/A ARG 254.A NH2 VAL 248.A O no hydrogen 2.999 N/A MET 255.A N ARG 245.A O no hydrogen 3.035 N/A THR 256.A N GLN 259.A OE1 no hydrogen 2.996 N/A GLN 259.A N THR 256.A OG1 no hydrogen 3.076 N/A SER 260.A N THR 256.A O no hydrogen 2.906 N/A SER 260.A OG.A THR 256.A O no hydrogen 2.997 N/A SER 260.A OG.B ILE 257.A O no hydrogen 2.723 N/A LEU 261.A N ILE 257.A O no hydrogen 3.069 N/A GLU 262.A N ALA 258.A O no hydrogen 3.239 N/A GLU 262.A N GLN 259.A O no hydrogen 3.133 N/A HIS 263.A N SER 260.A O no hydrogen 3.255 N/A HIS 263.A NE2 ASP 241.A OD2 no hydrogen 2.826 N/A TRP 265.A N HIS 263.A ND1 no hydrogen 3.003 N/A TRP 265.A NE1 GLU 107.A OE1 no hydrogen 2.829 N/A ILE 266.A N HIS 263.A O no hydrogen 2.972 N/A LYS 267.A N HIS 263.A O no hydrogen 2.837 N/A LYS 267.A NZ GLU 262.A OE1 no hydrogen 3.121 N/A ALA 268.A N SER 264.A O no hydrogen 2.903 N/A ARG 270.A NH1 TRP 265.A O no hydrogen 2.867 N/A ARG 270.A NH2 ASP 108.A OD1 no hydrogen 3.023 N/A ASN 273.A N ASN 148.A OD1 no hydrogen 2.886 N/A