Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7wt3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N HIS 4.A NE2 no hydrogen 3.324 N/A GLY 2.A N GLU 265.A OE2 no hydrogen 2.686 N/A HIS 4.A N VAL 104.A O no hydrogen 2.901 N/A HIS 4.A ND1 ASP 30.A OD2 no hydrogen 2.431 N/A HIS 4.A NE2 GLN 181.A OE1 no hydrogen 3.026 N/A SER 5.A N ASP 30.A OD1 no hydrogen 2.832 N/A SER 5.A OG ASP 30.A OD1 no hydrogen 3.567 N/A MET 6.A N CYS 102.A O no hydrogen 2.948 N/A ARG 7.A N TYR 28.A O no hydrogen 2.955 N/A ARG 7.A NH1 MET 6.A O no hydrogen 3.350 N/A ARG 7.A NH1 CYS 102.A O no hydrogen 3.286 N/A ARG 7.A NH1 ASP 103.A OD1 no hydrogen 2.816 N/A ARG 7.A NH2 ASP 103.A OD1 no hydrogen 2.491 N/A ARG 7.A NH2 ASP 103.A OD2 no hydrogen 3.415 N/A TYR 8.A N PHE 100.A O no hydrogen 2.791 N/A PHE 9.A N VAL 26.A O no hydrogen 2.888 N/A SER 10.A N MET 98.A O no hydrogen 2.940 N/A SER 10.A OG HIS 71.A NE2 no hydrogen 2.958 N/A THR 11.A N ILE 24.A O no hydrogen 2.831 N/A SER 12.A N LEU 96.A O no hydrogen 2.834 N/A VAL 13.A N ARG 22.A O no hydrogen 2.876 N/A SER 14.A N HIS 94.A O no hydrogen 2.987 N/A SER 14.A OG HIS 94.A O no hydrogen 3.511 N/A ARG 15.A NE GLU 20.A O no hydrogen 3.014 N/A ARG 15.A NH1 ASP 40.A OD1 no hydrogen 3.159 N/A ARG 15.A NH2 GLU 20.A O no hydrogen 3.291 N/A ARG 15.A NH2 ASP 40.A OD1 no hydrogen 3.256 N/A ARG 18.A N ARG 15.A O no hydrogen 2.786 N/A ARG 22.A N VAL 13.A O no hydrogen 2.903 N/A ARG 22.A NE ASP 38.A OD1 no hydrogen 2.895 N/A ARG 22.A NH2 ASP 38.A OD1 no hydrogen 3.554 N/A ARG 22.A NH2 ASP 38.A OD2 no hydrogen 2.822 N/A PHE 23.A N SER 39.A OG no hydrogen 2.887 N/A ILE 24.A N THR 11.A O no hydrogen 2.948 N/A ALA 25.A N PHE 37.A O no hydrogen 2.913 N/A VAL 26.A N PHE 9.A O no hydrogen 2.901 N/A GLY 27.A N VAL 35.A O no hydrogen 3.163 N/A TYR 28.A N ARG 7.A O no hydrogen 2.826 N/A VAL 29.A N THR 32.A O no hydrogen 2.932 N/A ASP 30.A N SER 5.A O no hydrogen 2.833 N/A THR 32.A N VAL 29.A O no hydrogen 2.890 N/A THR 32.A OG1 TYR 210.A OH no hydrogen 2.795 N/A GLN 33.A NE2 VAL 35.A O no hydrogen 3.260 N/A PHE 34.A N GLY 27.A O no hydrogen 2.910 N/A ARG 36.A N GLU 47.A O no hydrogen 2.918 N/A ARG 36.A NE GLU 47.A OE1.A no hydrogen 3.015 N/A ARG 36.A NH2 GLU 47.A OE1.A no hydrogen 3.107 N/A PHE 37.A N ALA 25.A O no hydrogen 2.877 N/A SER 39.A N PHE 23.A O no hydrogen 2.834 N/A SER 39.A OG PHE 23.A O no hydrogen 3.485 N/A ASP 40.A N ASP 38.A OD1 no hydrogen 2.899 N/A ALA 41.A N ASP 38.A O no hydrogen 2.960 N/A SER 43.A OG GLU 47.A OE2.A no hydrogen 2.748 N/A SER 43.A OG GLU 47.A OE2.B no hydrogen 2.577 N/A GLN 44.A NE2 SER 39.A O no hydrogen 3.003 N/A GLN 44.A NE2 ALA 41.A O no hydrogen 2.684 N/A ARG 45.A N SER 43.A OG no hydrogen 3.255 N/A ARG 45.A NH1 ASP 62.A OD1 no hydrogen 3.013 N/A ARG 45.A NH2 ASP 62.A OD1 no hydrogen 3.016 N/A MET 46.A N THR 65.A OG1 no hydrogen 2.998 N/A GLU 47.A N ARG 36.A O no hydrogen 2.855 N/A ARG 49.A N PHE 34.A O no hydrogen 2.752 N/A ILE 53.A N ALA 50.A O no hydrogen 3.311 N/A GLU 54.A N PRO 51.A O no hydrogen 3.072 N/A GLN 55.A N TRP 52.A O no hydrogen 3.252 N/A GLU 56.A N.A ILE 53.A O no hydrogen 3.090 N/A GLU 56.A N.B ILE 53.A O no hydrogen 3.129 N/A GLU 59.A N GLU 59.A OE1 no hydrogen 2.715 N/A TYR 60.A OH TYR 172.A OH no hydrogen 2.870 N/A ASP 62.A N PRO 58.A O no hydrogen 3.127 N/A GLU 63.A N GLU 59.A O no hydrogen 2.843 N/A GLU 64.A N TYR 60.A O no hydrogen 2.859 N/A THR 65.A N TRP 61.A O no hydrogen 3.035 N/A THR 65.A OG1 TRP 61.A O no hydrogen 2.719 N/A GLY 66.A N ASP 62.A O no hydrogen 3.035 N/A LYS 67.A N GLU 63.A O no hydrogen 3.035 N/A LYS 67.A NZ GLU 64.A OE2 no hydrogen 2.539 N/A VAL 68.A N GLU 64.A O no hydrogen 2.929 N/A LYS 69.A N THR 65.A O no hydrogen 3.003 N/A ALA 70.A N GLY 66.A O no hydrogen 2.966 N/A HIS 71.A N LYS 67.A O no hydrogen 2.916 N/A HIS 71.A NE2 SER 10.A OG no hydrogen 2.958 N/A SER 72.A N VAL 68.A O no hydrogen 2.960 N/A SER 72.A OG LYS 69.A O no hydrogen 2.712 N/A GLN 73.A N LYS 69.A O no hydrogen 3.157 N/A GLN 73.A NE2 GLU 77.A OE2 no hydrogen 2.918 N/A THR 74.A N ALA 70.A O no hydrogen 3.000 N/A THR 74.A OG1 ALA 70.A O no hydrogen 3.197 N/A ASP 75.A N HIS 71.A O no hydrogen 2.904 N/A ARG 76.A N SER 72.A O no hydrogen 2.920 N/A GLU 77.A N GLN 73.A O no hydrogen 3.020 N/A ASN 78.A N THR 74.A O no hydrogen 2.800 N/A ASN 78.A ND2 ASP 75.A OD1 no hydrogen 3.510 N/A LEU 79.A N ASP 75.A O no hydrogen 2.896 N/A ARG 80.A N ARG 76.A O no hydrogen 3.402 N/A ILE 81.A N GLU 77.A O no hydrogen 2.977 N/A ALA 82.A N ASN 78.A O no hydrogen 2.888 N/A LEU 83.A N LEU 79.A O no hydrogen 3.230 N/A ARG 84.A N ARG 80.A O no hydrogen 3.401 N/A TYR 85.A N ILE 81.A O no hydrogen 2.938 N/A TYR 86.A N ALA 82.A O no hydrogen 2.912 N/A TYR 86.A OH ASP 138.A OD1 no hydrogen 3.385 N/A TYR 86.A OH ASP 138.A OD2 no hydrogen 2.651 N/A ASN 87.A N ARG 84.A O no hydrogen 3.158 N/A GLN 88.A N LEU 83.A O no hydrogen 2.896 N/A ALA 91.A N SER 89.A OG no hydrogen 3.147 N/A SER 93.A OG.A SER 14.A O no hydrogen 2.731 N/A SER 93.A OG.B SER 14.A O no hydrogen 3.481 N/A HIS 94.A N SER 14.A OG no hydrogen 2.856 N/A HIS 94.A ND1 ASP 120.A OD2 no hydrogen 2.761 N/A THR 95.A N ASP 120.A OD1 no hydrogen 2.867 N/A LEU 96.A N SER 12.A O no hydrogen 2.856 N/A GLN 97.A N ALA 118.A O no hydrogen 2.932 N/A MET 98.A N SER 10.A O no hydrogen 3.003 N/A MET 99.A N GLN 116.A O no hydrogen 2.933 N/A PHE 100.A N TYR 8.A O no hydrogen 3.004 N/A GLY 101.A N TYR 114.A O no hydrogen 3.122 N/A CYS 102.A N MET 6.A O no hydrogen 3.022 N/A ASP 103.A N ARG 112.A O no hydrogen 2.851 N/A VAL 104.A N HIS 4.A O no hydrogen 2.909 N/A GLY 105.A N ARG 109.A O no hydrogen 2.937 N/A SER 106.A N GLY 2.A O no hydrogen 2.834 N/A SER 106.A OG GLY 2.A O no hydrogen 3.422 N/A GLY 108.A N GLY 105.A O no hydrogen 2.845 N/A ARG 109.A N ASP 107.A OD1 no hydrogen 3.061 N/A LEU 111.A N ASP 103.A O no hydrogen 2.741 N/A ARG 112.A N ASP 103.A O no hydrogen 3.454 N/A ARG 112.A NE ASP 103.A OD2 no hydrogen 2.966 N/A ARG 112.A NH2 ASP 103.A OD2 no hydrogen 3.020 N/A TYR 114.A N GLY 101.A O no hydrogen 2.921 N/A HIS 115.A NE2 TYR 117.A OH.B no hydrogen 3.080 N/A GLN 116.A N MET 99.A O no hydrogen 2.920 N/A TYR 117.A N ILE 125.A O no hydrogen 2.885 N/A TYR 117.A OH.A ASP 75.A OD1 no hydrogen 3.189 N/A TYR 117.A OH.B HIS 115.A NE2 no hydrogen 3.080 N/A ALA 118.A N GLN 97.A O no hydrogen 2.870 N/A TYR 119.A N LYS 122.A O no hydrogen 2.892 N/A TYR 119.A OH GLN 88.A OE1 no hydrogen 2.521 N/A ASP 120.A N THR 95.A O no hydrogen 2.753 N/A LYS 122.A N TYR 119.A O no hydrogen 3.176 N/A TYR 124.A N TYR 117.A O no hydrogen 2.875 N/A TYR 124.A OH THR 144.A OG1 no hydrogen 2.740 N/A ALA 126.A N THR 135.A O no hydrogen 2.911 N/A LEU 127.A N HIS 115.A O no hydrogen 2.810 N/A LYS 128.A N SER 133.A O no hydrogen 2.873 N/A LYS 128.A NZ THR 135.A OG1 no hydrogen 2.521 N/A LEU 131.A N LYS 128.A O no hydrogen 2.805 N/A ARG 132.A N ASP 130.A OD1 no hydrogen 3.064 N/A THR 135.A N ALA 126.A O no hydrogen 2.789 N/A ALA 137.A N TYR 124.A O no hydrogen 2.980 N/A ALA 141.A N ASP 138.A OD1 no hydrogen 2.911 N/A GLN 142.A N ASP 138.A O no hydrogen 3.274 N/A GLN 142.A N MET 139.A O no hydrogen 3.182 N/A GLN 142.A NE2 ALA 136.A O no hydrogen 3.079 N/A GLN 142.A NE2 ASP 138.A O no hydrogen 3.238 N/A ILE 143.A N ALA 140.A O no hydrogen 3.036 N/A THR 144.A N ALA 140.A O no hydrogen 3.453 N/A THR 144.A OG1 TYR 124.A OH no hydrogen 2.740 N/A LYS 145.A N ALA 141.A O no hydrogen 2.797 N/A LYS 145.A NZ TRP 134.A O no hydrogen 2.856 N/A ARG 146.A N GLN 142.A O no hydrogen 2.905 N/A LYS 147.A N ILE 143.A O no hydrogen 3.345 N/A TRP 148.A N THR 144.A O no hydrogen 2.808 N/A GLU 149.A N LYS 145.A O no hydrogen 2.743 N/A ALA 150.A N ARG 146.A O no hydrogen 2.974 N/A ALA 151.A N LYS 147.A O no hydrogen 3.041 N/A HIS 152.A N GLU 149.A O no hydrogen 3.275 N/A HIS 152.A ND1 GLU 155.A OE2 no hydrogen 2.652 N/A VAL 153.A N TRP 148.A O no hydrogen 3.135 N/A GLU 155.A N GLU 155.A OE1 no hydrogen 2.766 N/A GLN 156.A N HIS 152.A O no hydrogen 3.447 N/A GLN 157.A N VAL 153.A O no hydrogen 2.948 N/A ARG 158.A N ALA 154.A O no hydrogen 2.780 N/A ARG 158.A NE GLU 162.A OE2 no hydrogen 2.909 N/A ARG 158.A NH2 GLU 162.A OE2 no hydrogen 3.546 N/A ALA 159.A N GLU 155.A O no hydrogen 3.158 N/A TYR 160.A N GLN 156.A O no hydrogen 3.174 N/A LEU 161.A N GLN 157.A O no hydrogen 2.873 N/A GLU 162.A N ARG 158.A O no hydrogen 2.985 N/A GLY 163.A N TYR 160.A O no hydrogen 3.292 N/A CYS 165.A N TYR 160.A O no hydrogen 2.885 N/A ASP 167.A N GLY 163.A O no hydrogen 2.914 N/A GLY 168.A N THR 164.A O no hydrogen 2.907 N/A LEU 169.A N CYS 165.A O no hydrogen 2.995 N/A ARG 170.A N VAL 166.A O no hydrogen 2.932 N/A ARG 170.A NE GLY 108.A O no hydrogen 2.746 N/A ARG 170.A NH2 GLY 108.A O no hydrogen 2.441 N/A ARG 171.A N ASP 167.A O no hydrogen 3.032 N/A ARG 171.A NE GLU 56.A OE1.A no hydrogen 3.269 N/A ARG 171.A NE GLU 56.A OE1.B no hydrogen 3.162 N/A ARG 171.A NE GLU 56.A OE2.A no hydrogen 3.063 N/A ARG 171.A NE GLU 56.A OE2.B no hydrogen 3.090 N/A ARG 171.A NH2 GLU 56.A OE1.A no hydrogen 3.401 N/A ARG 171.A NH2 GLU 56.A OE1.B no hydrogen 2.814 N/A TYR 172.A N GLY 168.A O no hydrogen 2.918 N/A LEU 173.A N LEU 169.A O no hydrogen 2.974 N/A GLU 174.A N ARG 170.A O no hydrogen 3.121 N/A ASN 175.A N ARG 171.A O no hydrogen 2.929 N/A GLY 176.A N TYR 172.A O no hydrogen 2.752 N/A LYS 177.A N GLU 174.A O no hydrogen 3.292 N/A THR 179.A N GLY 176.A O no hydrogen 3.033 N/A THR 179.A OG1 GLY 176.A O no hydrogen 3.294 N/A LEU 180.A N GLY 176.A O no hydrogen 2.736 N/A GLN 181.A N LYS 177.A O no hydrogen 3.078 N/A ARG 182.A N THR 179.A O no hydrogen 3.447 N/A ARG 182.A NE ASP 184.A OD2 no hydrogen 3.122 N/A ARG 182.A NH1 THR 179.A O no hydrogen 2.573 N/A THR 183.A OG1 THR 183.A O no hydrogen 2.601 N/A LYS 187.A N LEU 207.A O no hydrogen 2.790 N/A HIS 189.A N TRP 205.A O no hydrogen 3.274 N/A THR 191.A N ARG 203.A O no hydrogen 2.859 N/A THR 191.A OG1 HIS 193.A NE2 no hydrogen 2.607 N/A HIS 192.A NE2 GLU 255.A OE2 no hydrogen 2.820 N/A HIS 193.A N THR 201.A O no hydrogen 2.769 N/A HIS 193.A NE2 THR 191.A OG1 no hydrogen 2.607 N/A ILE 195.A N GLU 199.A O no hydrogen 2.972 N/A SER 196.A N GLU 199.A O no hydrogen 3.297 N/A HIS 198.A N SER 196.A OG no hydrogen 3.199 N/A ALA 200.A N VAL 250.A O no hydrogen 2.917 N/A THR 201.A N HIS 193.A O no hydrogen 2.845 N/A LEU 202.A N VAL 248.A O no hydrogen 3.031 N/A ARG 203.A N THR 191.A O no hydrogen 2.934 N/A CYS 204.A N ALA 246.A O no hydrogen 2.732 N/A TRP 205.A N HIS 189.A O no hydrogen 2.785 N/A ALA 206.A N LYS 244.A O no hydrogen 2.865 N/A LEU 207.A N LYS 187.A O no hydrogen 2.862 N/A GLY 208.A N PHE 242.A O no hydrogen 3.051 N/A PHE 209.A N PHE 242.A O no hydrogen 3.365 N/A TYR 210.A N ASP 184.A O no hydrogen 3.100 N/A TYR 210.A OH THR 32.A OG1 no hydrogen 2.795 N/A ALA 212.A N ASP 31.A OD2 no hydrogen 2.771 N/A THR 215.A N GLN 263.A O no hydrogen 2.996 N/A THR 217.A N HIS 261.A O no hydrogen 3.050 N/A TRP 218.A NE1 ALA 246.A O no hydrogen 3.019 N/A GLN 219.A N THR 259.A O no hydrogen 2.845 N/A ARG 220.A N GLU 223.A O no hydrogen 2.941 N/A ASP 221.A N ARG 257.A O no hydrogen 2.917 N/A GLU 223.A N ARG 220.A O no hydrogen 3.002 N/A GLN 225.A N TRP 218.A O no hydrogen 2.884 N/A ASP 228.A N GLN 225.A O no hydrogen 2.940 N/A THR 229.A OG1 GLN 225.A O no hydrogen 2.540 N/A GLU 230.A N ALA 247.A O no hydrogen 2.873 N/A VAL 232.A N TRP 245.A O no hydrogen 3.313 N/A ARG 235.A N GLN 243.A O no hydrogen 2.946 N/A ARG 235.A NE GLN 243.A OE1 no hydrogen 2.957 N/A ARG 235.A NH2 GLN 243.A OE1 no hydrogen 3.119 N/A ALA 237.A N THR 241.A O no hydrogen 2.858 N/A THR 241.A N ASP 239.A OD1 no hydrogen 3.230 N/A THR 241.A OG1 ASP 239.A OD1 no hydrogen 2.748 N/A PHE 242.A N PHE 209.A O no hydrogen 2.819 N/A GLN 243.A N ARG 235.A O no hydrogen 2.849 N/A LYS 244.A N ALA 206.A O no hydrogen 2.938 N/A LYS 244.A NZ VAL 232.A O no hydrogen 2.817 N/A LYS 244.A NZ THR 234.A OG1 no hydrogen 3.115 N/A ALA 246.A N CYS 204.A O no hydrogen 3.019 N/A ALA 247.A N GLU 230.A O no hydrogen 2.834 N/A VAL 248.A N LEU 202.A O no hydrogen 2.999 N/A VAL 250.A N ALA 200.A O no hydrogen 2.750 N/A SER 252.A N HIS 198.A O no hydrogen 2.959 N/A SER 252.A OG ASP 197.A O no hydrogen 3.163 N/A GLU 254.A N PRO 251.A O no hydrogen 2.991 N/A GLU 255.A N GLU 255.A OE1 no hydrogen 2.856 N/A GLN 256.A NE2 TRP 275.A O no hydrogen 2.760 N/A ARG 257.A N GLU 254.A O no hydrogen 2.985 N/A ARG 257.A NE ASP 221.A OD1 no hydrogen 3.424 N/A ARG 257.A NE ASP 221.A OD2 no hydrogen 3.174 N/A ARG 257.A NH1 GLU 254.A OE1 no hydrogen 2.707 N/A ARG 257.A NH2 ASP 221.A OD2 no hydrogen 2.838 N/A TYR 258.A N GLU 255.A O no hydrogen 3.172 N/A THR 259.A N GLN 219.A O no hydrogen 2.978 N/A THR 259.A OG1 HIS 261.A NE2 no hydrogen 2.653 N/A CYS 260.A N LEU 273.A O no hydrogen 2.872 N/A CYS 260.A SG THR 217.A O no hydrogen 4.012 N/A HIS 261.A N THR 217.A O no hydrogen 2.842 N/A HIS 261.A NE2 THR 259.A OG1 no hydrogen 2.653 N/A VAL 262.A N LEU 271.A O no hydrogen 3.024 N/A GLN 263.A N THR 215.A O no hydrogen 2.961 N/A HIS 264.A NE2 PRO 211.A O no hydrogen 2.939 N/A GLY 266.A N HIS 264.A ND1 no hydrogen 2.933 N/A LEU 267.A N HIS 264.A O no hydrogen 2.968 N/A LEU 271.A N VAL 262.A O no hydrogen 2.959 N/A THR 272.A OG1 HIS 261.A ND1 no hydrogen 3.408 N/A LEU 273.A N CYS 260.A O no hydrogen 2.757 N/A