Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4que_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 2.A ND2 THR 228.A O no hydrogen 2.935 N/A TYR 4.A N GLU 230.A O no hydrogen 2.972 N/A TYR 4.A OH ASP 150.A OD1 no hydrogen 2.527 N/A LYS 5.A NZ ASP 7.A OD1 no hydrogen 2.423 N/A TYR 8.A N SER 79.A OG no hydrogen 3.249 N/A GLU 10.A N LYS 77.A O no hydrogen 3.023 N/A CYS 14.A N GLU 51.A O no hydrogen 2.890 N/A ILE 15.A N VAL 82.A O no hydrogen 2.863 N/A ILE 16.A N ARG 53.A O no hydrogen 2.902 N/A ILE 17.A N VAL 84.A O no hydrogen 2.758 N/A ASN 18.A N LYS 55.A O no hydrogen 2.678 N/A ASN 18.A ND2 ASP 35.A OD1 no hydrogen 2.909 N/A ASN 18.A ND2 ASN 56.A OD1 no hydrogen 3.042 N/A ASN 19.A N LEU 86.A O no hydrogen 2.961 N/A ASN 19.A ND2 LEU 58.A O no hydrogen 3.242 N/A ASN 19.A ND2 PHE 95.A O no hydrogen 3.110 N/A LYS 20.A N ASP 57.A OD1 no hydrogen 2.861 N/A ASN 21.A N ASP 57.A OD1 no hydrogen 3.000 N/A ASN 21.A ND2 ASP 57.A OD2 no hydrogen 3.021 N/A HIS 23.A N THR 97.A O no hydrogen 2.844 N/A THR 26.A N HIS 23.A O no hydrogen 2.952 N/A THR 26.A OG1 HIS 23.A O no hydrogen 2.617 N/A GLY 27.A N LYS 24.A O no hydrogen 2.897 N/A MET 28.A N THR 26.A OG1 no hydrogen 3.147 N/A SER 30.A OG.A LYS 20.A O no hydrogen 3.529 N/A SER 30.A OG.A ASN 21.A OD1 no hydrogen 3.560 N/A ARG 31.A N LYS 20.A O no hydrogen 2.934 N/A ARG 31.A NH1 ASN 19.A O no hydrogen 2.932 N/A ARG 31.A NH1 THR 34.A OG1 no hydrogen 2.967 N/A THR 34.A N ARG 31.A O no hydrogen 3.135 N/A THR 34.A OG1 ASN 18.A OD1 no hydrogen 2.671 N/A ASP 37.A N GLY 33.A O no hydrogen 3.308 N/A ALA 38.A N THR 34.A O no hydrogen 2.896 N/A ALA 39.A N ASP 35.A O no hydrogen 3.056 N/A ASN 40.A N VAL 36.A O no hydrogen 3.013 N/A ASN 40.A ND2 GLN 175.A OE1.B no hydrogen 2.574 N/A LEU 41.A N ASP 37.A O no hydrogen 2.855 N/A ARG 42.A N ALA 38.A O no hydrogen 2.988 N/A ARG 42.A NH1 ASN 54.A OD1 no hydrogen 2.615 N/A GLU 43.A N ALA 39.A O no hydrogen 3.106 N/A THR 44.A N ASN 40.A O no hydrogen 2.948 N/A THR 44.A OG1 ASN 40.A O no hydrogen 2.773 N/A PHE 45.A N LEU 41.A O no hydrogen 2.966 N/A ARG 46.A N ARG 42.A O no hydrogen 2.977 N/A ARG 46.A NE GLU 43.A OE2 no hydrogen 3.120 N/A ARG 46.A NH2 GLU 43.A OE1 no hydrogen 3.034 N/A ARG 46.A NH2 GLU 43.A OE2 no hydrogen 3.569 N/A ASN 47.A N GLU 43.A O no hydrogen 3.116 N/A ASN 47.A ND2 GLU 43.A O no hydrogen 2.818 N/A ASN 47.A ND2 GLU 43.A OE1 no hydrogen 2.721 N/A LEU 48.A N THR 44.A O no hydrogen 3.269 N/A LEU 48.A N PHE 45.A O no hydrogen 3.164 N/A LYS 49.A N ARG 46.A O no hydrogen 2.868 N/A TYR 50.A N PHE 45.A O no hydrogen 2.940 N/A TYR 50.A OH SER 80.A OG no hydrogen 2.774 N/A GLU 51.A N GLY 12.A O no hydrogen 2.977 N/A ARG 53.A N CYS 14.A O no hydrogen 2.947 N/A ARG 53.A NH1 GLU 73.A OE2 no hydrogen 2.763 N/A ARG 53.A NH2 GLU 51.A OE2 no hydrogen 3.450 N/A ARG 53.A NH2 GLU 73.A OE1 no hydrogen 3.323 N/A ARG 53.A NH2 GLU 73.A OE2 no hydrogen 3.392 N/A ASN 54.A ND2 ALA 38.A O no hydrogen 3.614 N/A LYS 55.A N ILE 16.A O no hydrogen 2.797 N/A ASP 57.A N ASN 18.A O no hydrogen 2.902 N/A LEU 58.A N ASN 19.A OD1 no hydrogen 2.778 N/A THR 59.A N GLU 62.A OE1 no hydrogen 2.852 N/A THR 59.A OG1 GLU 61.A OE1 no hydrogen 3.439 N/A ARG 60.A N ASN 98.A OD1 no hydrogen 2.789 N/A ARG 60.A NE GLU 61.A OE2 no hydrogen 3.209 N/A GLU 62.A N THR 59.A OG1 no hydrogen 3.057 N/A ILE 63.A N THR 59.A O no hydrogen 2.949 N/A VAL 64.A N ARG 60.A O no hydrogen 3.199 N/A GLU 65.A N GLU 61.A O no hydrogen 2.931 N/A LEU 66.A N GLU 62.A O no hydrogen 2.883 N/A MET 67.A N ILE 63.A O no hydrogen 3.047 N/A ARG 68.A N.A VAL 64.A O no hydrogen 3.028 N/A ARG 68.A N.B VAL 64.A O no hydrogen 3.028 N/A ARG 68.A NH2.B ASP 69.A OD1 no hydrogen 2.311 N/A ASP 69.A N GLU 65.A O no hydrogen 2.948 N/A VAL 70.A N LEU 66.A O no hydrogen 2.936 N/A SER 71.A N MET 67.A O no hydrogen 2.940 N/A SER 71.A OG MET 67.A O no hydrogen 3.353 N/A SER 71.A OG ARG 68.A O.A no hydrogen 2.694 N/A SER 71.A OG ARG 68.A O.B no hydrogen 2.648 N/A LYS 72.A N ASP 69.A O no hydrogen 3.055 N/A GLU 73.A N VAL 70.A O no hydrogen 3.244 N/A HIS 75.A N SER 117.A OG no hydrogen 2.939 N/A HIS 75.A NE2 VAL 70.A O no hydrogen 2.849 N/A SER 76.A N ASP 74.A OD2 no hydrogen 3.108 N/A SER 76.A OG ASP 74.A OD2 no hydrogen 2.624 N/A ARG 78.A N HIS 75.A O no hydrogen 2.746 N/A ARG 78.A NE GLU 10.A OE1 no hydrogen 3.507 N/A ARG 78.A NH1 GLU 73.A OE1 no hydrogen 3.009 N/A ARG 78.A NH2 GLU 73.A OE1 no hydrogen 3.307 N/A SER 79.A N GLU 10.A O no hydrogen 2.786 N/A SER 79.A OG GLU 10.A O no hydrogen 3.412 N/A SER 80.A N MET 11.A O no hydrogen 2.845 N/A SER 80.A OG MET 11.A O no hydrogen 2.878 N/A SER 80.A OG TYR 50.A OH no hydrogen 2.774 N/A PHE 81.A N PRO 122.A O no hydrogen 3.045 N/A VAL 82.A N LEU 13.A O no hydrogen 2.981 N/A CYS 83.A N LEU 124.A O no hydrogen 2.755 N/A VAL 84.A N ILE 15.A O no hydrogen 2.708 N/A LEU 85.A N ILE 126.A O no hydrogen 2.833 N/A LEU 86.A N ILE 17.A O no hydrogen 2.928 N/A SER 87.A N GLN 128.A O no hydrogen 3.092 N/A SER 87.A OG HIS 88.A O no hydrogen 3.445 N/A SER 87.A OG PHE 95.A O no hydrogen 2.699 N/A HIS 88.A NE2 THR 29.A O no hydrogen 2.766 N/A GLU 90.A N ILE 93.A O no hydrogen 3.083 N/A ILE 93.A N GLU 90.A O no hydrogen 2.899 N/A ILE 94.A N VAL 101.A O no hydrogen 2.975 N/A PHE 95.A N HIS 88.A O no hydrogen 2.927 N/A GLY 96.A N GLY 99.A O no hydrogen 2.667 N/A THR 97.A N LEU 58.A O no hydrogen 2.918 N/A ASN 98.A ND2 GLU 61.A OE1 no hydrogen 3.001 N/A GLY 99.A N GLY 96.A O no hydrogen 3.455 N/A VAL 101.A N ILE 94.A O no hydrogen 2.721 N/A LEU 103.A N GLY 92.A O no hydrogen 2.912 N/A LYS 104.A NZ GLU 148.A OE2 no hydrogen 2.923 N/A LYS 105.A N ASP 102.A O no hydrogen 3.074 N/A ILE 106.A N ASP 102.A O no hydrogen 3.395 N/A THR 107.A N LEU 103.A O no hydrogen 3.013 N/A THR 107.A OG1 LEU 103.A O no hydrogen 3.391 N/A THR 107.A OG1 LYS 104.A O no hydrogen 3.398 N/A ASN 108.A N LYS 104.A O no hydrogen 3.122 N/A PHE 109.A N ILE 106.A O no hydrogen 3.415 N/A PHE 110.A N THR 107.A O no hydrogen 2.842 N/A ARG 111.A N ASN 108.A O no hydrogen 3.341 N/A ARG 111.A NE ASP 113.A OD1 no hydrogen 3.077 N/A ARG 111.A NH2 ASP 113.A OD1 no hydrogen 3.566 N/A ARG 111.A NH2 ASP 113.A OD2 no hydrogen 2.953 N/A GLY 112.A N VAL 147.A O no hydrogen 2.990 N/A ARG 114.A N ARG 111.A O no hydrogen 2.946 N/A CYS 115.A N ARG 111.A O no hydrogen 2.960 N/A CYS 115.A SG SER 71.A O no hydrogen 3.461 N/A ARG 116.A NH1.B ARG 116.A O no hydrogen 3.349 N/A SER 117.A OG GLU 73.A O no hydrogen 3.563 N/A LEU 118.A N CYS 115.A O no hydrogen 3.044 N/A THR 119.A N ARG 116.A O no hydrogen 3.234 N/A THR 119.A OG1 GLY 112.A O no hydrogen 2.700 N/A THR 119.A OG1 CYS 115.A O no hydrogen 3.565 N/A THR 119.A OG1 ARG 116.A O no hydrogen 3.097 N/A LYS 121.A N LEU 118.A O no hydrogen 2.972 N/A LYS 121.A NZ HIS 75.A O no hydrogen 3.025 N/A LYS 121.A NZ SER 76.A O no hydrogen 3.395 N/A LYS 121.A NZ ARG 78.A O no hydrogen 2.808 N/A LYS 121.A NZ SER 117.A O no hydrogen 2.924 N/A LYS 123.A N ASP 150.A O no hydrogen 2.868 N/A LYS 123.A NZ LEU 118.A O no hydrogen 2.860 N/A LYS 123.A NZ LYS 121.A O no hydrogen 2.707 N/A LEU 124.A N PHE 81.A O no hydrogen 2.766 N/A PHE 125.A N LEU 152.A O no hydrogen 2.745 N/A ILE 126.A N CYS 83.A O no hydrogen 2.793 N/A ILE 127.A N ALA 154.A O no hydrogen 2.969 N/A GLN 128.A N LEU 85.A O no hydrogen 2.893 N/A GLN 128.A NE2 SER 163.A OG no hydrogen 2.734 N/A CYS 130.A SG SER 163.A O no hydrogen 3.804 N/A ARG 131.A N TYR 161.A O no hydrogen 2.851 N/A ARG 131.A NE GLU 91.A OE2 no hydrogen 3.043 N/A ARG 131.A NH1 THR 157.A O no hydrogen 3.024 N/A ARG 131.A NH1 HIS 224.A NE2 no hydrogen 3.355 N/A ARG 131.A NH2 GLU 91.A OE2 no hydrogen 3.034 N/A GLU 134.A N GLY 160.A O no hydrogen 2.952 N/A CYS 137.A SG.A GLY 138.A O no hydrogen 3.396 N/A GLY 138.A N ASP 136.A OD1 no hydrogen 2.902 N/A THR 141.A OG1 GLU 140.A O no hydrogen 3.198 N/A ALA 149.A N PRO 146.A O no hydrogen 3.279 N/A ASP 150.A N MET 226.A O no hydrogen 2.782 N/A LEU 152.A N LYS 123.A O no hydrogen 2.941 N/A PHE 153.A N HIS 224.A O no hydrogen 2.845 N/A ALA 154.A N PHE 125.A O no hydrogen 2.842 N/A TYR 155.A N CYS 222.A O no hydrogen 2.900 N/A SER 156.A N ILE 127.A O no hydrogen 2.963 N/A SER 156.A OG ILE 127.A O no hydrogen 3.421 N/A SER 156.A OG SER 163.A OG no hydrogen 2.725 N/A THR 157.A OG1 TYR 162.A O no hydrogen 2.962 N/A GLY 160.A N GLU 91.A OE1 no hydrogen 3.050 N/A TYR 161.A N ALA 158.A O no hydrogen 3.135 N/A TYR 162.A N GLU 134.A O no hydrogen 3.003 N/A SER 163.A OG SER 156.A OG no hydrogen 2.725 N/A TRP 164.A N GLN 219.A OE1 no hydrogen 2.704 N/A ARG 165.A NH2 SER 32.A O no hydrogen 2.893 N/A ASN 166.A N GLY 170.A O no hydrogen 2.961 N/A LYS 168.A N ASN 166.A OD1 no hydrogen 2.965 N/A ASP 169.A N ASN 166.A OD1 no hydrogen 2.837 N/A GLY 170.A N ASN 166.A O no hydrogen 2.752 N/A SER 171.A N ASP 37.A OD1 no hydrogen 2.948 N/A SER 171.A N ASP 37.A OD2 no hydrogen 3.238 N/A SER 171.A OG ASP 37.A OD1 no hydrogen 3.511 N/A SER 171.A OG ASP 37.A OD2 no hydrogen 2.593 N/A TRP 172.A N TRP 164.A O no hydrogen 3.279 N/A ILE 174.A N SER 171.A OG no hydrogen 3.231 N/A GLN 175.A N SER 171.A O no hydrogen 2.950 N/A GLN 175.A NE2.A GLY 170.A O no hydrogen 2.787 N/A GLN 175.A NE2.A SER 171.A O no hydrogen 3.480 N/A GLN 175.A NE2.B ASP 37.A OD1 no hydrogen 2.857 N/A SER 176.A N TRP 172.A O no hydrogen 3.051 N/A SER 176.A OG TRP 172.A O no hydrogen 2.879 N/A LEU 177.A N PHE 173.A O no hydrogen 2.670 N/A CYS 178.A N ILE 174.A O no hydrogen 2.933 N/A CYS 178.A SG THR 44.A OG1 no hydrogen 3.387 N/A CYS 178.A SG ILE 174.A O no hydrogen 3.457 N/A ALA 179.A N GLN 175.A O no hydrogen 3.165 N/A MET 180.A N SER 176.A O no hydrogen 2.872 N/A LEU 181.A N LEU 177.A O no hydrogen 2.954 N/A LYS 182.A N CYS 178.A O no hydrogen 2.960 N/A LYS 182.A NZ.A ASN 40.A OD1 no hydrogen 2.545 N/A GLN 183.A N ALA 179.A O no hydrogen 3.001 N/A TYR 184.A N MET 180.A O no hydrogen 2.765 N/A ALA 185.A N LEU 181.A O no hydrogen 2.816 N/A LYS 187.A N TYR 184.A O no hydrogen 2.912 N/A LYS 187.A NZ GLN 183.A O no hydrogen 2.994 N/A LYS 187.A NZ ASP 186.A OD1 no hydrogen 2.438 N/A LYS 187.A NZ ASP 186.A OD2 no hydrogen 2.912 N/A LEU 188.A N TYR 184.A O no hydrogen 2.915 N/A PHE 190.A N LEU 231.A O no hydrogen 2.834 N/A MET 191.A N GLU 189.A OE1 no hydrogen 2.877 N/A ILE 193.A N GLU 189.A O no hydrogen 3.053 N/A LEU 194.A N PHE 190.A O no hydrogen 2.875 N/A THR 195.A N MET 191.A O no hydrogen 2.927 N/A THR 195.A OG1 MET 191.A O no hydrogen 2.686 N/A ARG 196.A N HIS 192.A O no hydrogen 3.180 N/A ARG 196.A NH1.B HIS 192.A O no hydrogen 3.311 N/A VAL 197.A N ILE 193.A O no hydrogen 3.017 N/A ASN 198.A N LEU 194.A O no hydrogen 2.830 N/A ARG 199.A N THR 195.A O no hydrogen 2.966 N/A LYS 200.A N ARG 196.A O no hydrogen 2.874 N/A LYS 200.A NZ GLU 204.A OE1 no hydrogen 2.734 N/A VAL 201.A N VAL 197.A O no hydrogen 2.951 N/A ALA 202.A N ASN 198.A O no hydrogen 2.986 N/A THR 203.A N ARG 199.A O no hydrogen 3.013 N/A THR 203.A OG1 ARG 199.A O no hydrogen 2.771 N/A GLU 204.A N LYS 200.A O no hydrogen 2.921 N/A SER 207.A N LYS 217.A O no hydrogen 2.926 N/A SER 207.A OG PHE 214.A O no hydrogen 2.587 N/A SER 209.A N HIS 215.A ND1 no hydrogen 3.130 N/A SER 209.A OG ASP 211.A O no hydrogen 3.238 N/A ASP 211.A N SER 209.A OG no hydrogen 2.791 N/A THR 213.A N ASP 211.A OD1 no hydrogen 3.168 N/A PHE 214.A N ASP 211.A O no hydrogen 2.808 N/A HIS 215.A N ALA 212.A O no hydrogen 3.281 N/A ALA 216.A N SER 207.A O no hydrogen 2.911 N/A LYS 217.A N SER 207.A OG no hydrogen 2.892 N/A LYS 217.A NZ THR 213.A O no hydrogen 3.244 N/A LYS 217.A NZ HIS 215.A O no hydrogen 3.092 N/A LYS 218.A N ASP 136.A O no hydrogen 2.781 N/A LYS 218.A NZ ALA 202.A O no hydrogen 2.757 N/A LYS 218.A NZ PHE 205.A O no hydrogen 2.870 N/A GLN 219.A NE2 SER 156.A O no hydrogen 2.806 N/A CYS 222.A N TYR 155.A O no hydrogen 2.920 N/A CYS 222.A SG HIS 224.A NE2 no hydrogen 3.109 N/A HIS 224.A N PHE 153.A O no hydrogen 2.763 N/A MET 226.A N PHE 151.A O no hydrogen 2.819 N/A LEU 227.A N SER 225.A OG no hydrogen 3.193 N/A THR 228.A N TYR 4.A OH no hydrogen 2.943 N/A THR 228.A OG1 ASP 150.A OD1 no hydrogen 2.694 N/A GLU 230.A N ASN 2.A O no hydrogen 2.723 N/A LEU 231.A N GLU 189.A OE2 no hydrogen 2.725 N/A TYR 232.A OH GLU 230.A OE1 no hydrogen 2.625 N/A