Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ukb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 3.A N ASN 1.A OD1 no hydrogen 2.969 N/A ILE 4.A N ASN 1.A O no hydrogen 3.056 N/A GLY 5.A N ASN 16.A OD1 no hydrogen 2.773 N/A LYS 6.A N TYR 17.A O no hydrogen 2.766 N/A LYS 6.A NZ ASP 19.A O no hydrogen 3.008 N/A ILE 8.A N THR 15.A O no hydrogen 2.987 N/A ALA 10.A N VAL 13.A O no hydrogen 2.957 N/A VAL 13.A N ALA 10.A O no hydrogen 2.818 N/A THR 15.A N ILE 8.A O no hydrogen 2.761 N/A THR 15.A OG1 VAL 13.A O no hydrogen 2.882 N/A THR 15.A OG1 HIS 82.A NE2 no hydrogen 2.730 N/A ASN 16.A N THR 66.A OG1 no hydrogen 2.920 N/A ASN 16.A ND2 GLU 3.A O no hydrogen 3.017 N/A ASN 16.A ND2 ASP 59.A OD2 no hydrogen 2.708 N/A TYR 17.A N LYS 6.A O no hydrogen 2.901 N/A HIS 18.A N ALA 57.A O no hydrogen 2.908 N/A VAL 20.A N VAL 55.A O no hydrogen 2.953 N/A VAL 26.A N ARG 54.A O no hydrogen 2.848 N/A ILE 27.A N HIS 96.A O no hydrogen 2.874 N/A LEU 28.A N ILE 56.A O no hydrogen 2.842 N/A ILE 29.A N VAL 98.A O no hydrogen 2.801 N/A HIS 30.A ND1 GLY 31.A O no hydrogen 2.635 N/A GLY 31.A N ASN 41.A OD1 no hydrogen 2.834 N/A VAL 36.A N GLY 33.A O no hydrogen 3.169 N/A SER 37.A OG GLU 3.A OE1 no hydrogen 2.520 N/A ALA 38.A N ASP 59.A OD1 no hydrogen 2.737 N/A ALA 40.A N SER 37.A OG no hydrogen 3.055 N/A ASN 41.A N SER 37.A O no hydrogen 3.067 N/A TRP 42.A N ALA 38.A O no hydrogen 2.813 N/A THR 45.A N TRP 42.A O no hydrogen 2.950 N/A ILE 46.A N TRP 42.A O no hydrogen 2.980 N/A LEU 49.A N THR 45.A O no hydrogen 3.068 N/A SER 50.A N ILE 46.A O no hydrogen 2.787 N/A SER 50.A OG ILE 46.A O no hydrogen 2.839 N/A SER 50.A OG PRO 47.A O no hydrogen 3.152 N/A LYS 51.A N ALA 48.A O no hydrogen 3.415 N/A LYS 51.A NZ PRO 47.A O no hydrogen 2.846 N/A PHE 52.A N LEU 49.A O no hydrogen 2.978 N/A TYR 53.A N LEU 49.A O no hydrogen 2.900 N/A ARG 54.A N GLN 24.A O no hydrogen 2.952 N/A ARG 54.A NE ASP 19.A OD1 no hydrogen 3.018 N/A ARG 54.A NH2 ASP 19.A OD2 no hydrogen 2.735 N/A VAL 55.A N VAL 20.A O no hydrogen 2.697 N/A ILE 56.A N VAL 26.A O no hydrogen 2.892 N/A ALA 57.A N HIS 18.A O no hydrogen 2.903 N/A ASP 59.A N ASN 16.A O no hydrogen 2.862 N/A MET 60.A N HIS 30.A NE2 no hydrogen 2.984 N/A VAL 61.A N HIS 82.A ND1 no hydrogen 3.119 N/A PHE 63.A N MET 60.A O no hydrogen 2.835 N/A PHE 65.A N ASP 59.A OD2 no hydrogen 2.925 N/A THR 66.A N PHE 63.A O no hydrogen 3.476 N/A THR 66.A OG1 ASP 59.A O no hydrogen 2.562 N/A ASP 67.A N LEU 14.A O no hydrogen 2.899 N/A ARG 68.A NE SER 184.A OG no hydrogen 2.958 N/A ARG 68.A NH1 GLY 64.A O no hydrogen 2.890 N/A ARG 68.A NH2 GLY 64.A O no hydrogen 2.995 N/A TYR 72.A N PRO 69.A O no hydrogen 3.093 N/A SER 75.A OG SER 78.A OG no hydrogen 3.153 N/A LYS 76.A NZ ALA 199.A O no hydrogen 3.492 N/A LYS 76.A NZ ALA 201.A O no hydrogen 3.031 N/A SER 78.A N SER 75.A OG no hydrogen 2.973 N/A SER 78.A OG ASN 73.A O no hydrogen 2.972 N/A SER 78.A OG SER 75.A OG no hydrogen 3.153 N/A TRP 79.A N SER 75.A O no hydrogen 2.898 N/A TRP 79.A NE1 VAL 61.A O no hydrogen 2.858 N/A VAL 80.A N LYS 76.A O no hydrogen 2.994 N/A ASP 81.A N ASP 77.A O no hydrogen 2.955 N/A HIS 82.A N SER 78.A O no hydrogen 2.959 N/A HIS 82.A NE2 THR 15.A OG1 no hydrogen 2.730 N/A ILE 83.A N TRP 79.A O no hydrogen 2.999 N/A ILE 84.A N VAL 80.A O no hydrogen 2.954 N/A GLY 85.A N ASP 81.A O no hydrogen 2.791 N/A ILE 86.A N HIS 82.A O no hydrogen 2.818 N/A MET 87.A N ILE 83.A O no hydrogen 2.964 N/A ASP 88.A N ILE 84.A O no hydrogen 2.783 N/A ALA 89.A N GLY 85.A O no hydrogen 2.870 N/A LEU 90.A N ILE 86.A O no hydrogen 3.072 N/A LEU 90.A N MET 87.A O no hydrogen 3.198 N/A GLU 91.A N ASP 88.A O no hydrogen 3.069 N/A ILE 92.A N MET 87.A O no hydrogen 2.806 N/A ALA 95.A N ARG 117.A O no hydrogen 3.068 N/A HIS 96.A N PRO 25.A O no hydrogen 3.124 N/A ILE 97.A N ARG 120.A O no hydrogen 2.886 N/A VAL 98.A N ILE 27.A O no hydrogen 2.804 N/A GLY 99.A N VAL 122.A O no hydrogen 2.839 N/A ASN 100.A N ILE 29.A O no hydrogen 2.903 N/A ASN 100.A ND2 ASN 41.A OD1 no hydrogen 2.885 N/A ALA 101.A N MET 124.A O no hydrogen 2.790 N/A GLY 103.A N ASN 100.A O no hydrogen 2.821 N/A GLY 104.A N ALA 101.A O no hydrogen 2.637 N/A GLY 105.A N ALA 101.A O no hydrogen 3.136 N/A GLY 105.A N PHE 102.A O no hydrogen 3.060 N/A LEU 106.A N PHE 102.A O no hydrogen 3.203 N/A ALA 107.A N GLY 103.A O no hydrogen 2.841 N/A ILE 108.A N GLY 104.A O no hydrogen 3.076 N/A ALA 109.A N GLY 105.A O no hydrogen 3.034 N/A THR 110.A N LEU 106.A O no hydrogen 2.847 N/A THR 110.A OG1 LEU 106.A O no hydrogen 2.784 N/A ALA 111.A N ALA 107.A O no hydrogen 2.956 N/A LEU 112.A N ILE 108.A O no hydrogen 3.025 N/A ARG 113.A N ALA 109.A O no hydrogen 3.100 N/A ARG 113.A NH1 ASP 77.A O no hydrogen 3.194 N/A ARG 113.A NH1 ASP 81.A OD1 no hydrogen 3.414 N/A ARG 113.A NH2 ASP 81.A OD1 no hydrogen 3.008 N/A TYR 114.A N THR 110.A O no hydrogen 2.702 N/A GLU 116.A N GLU 116.A OE1 no hydrogen 2.652 N/A ARG 117.A N TYR 114.A O no hydrogen 2.831 N/A ARG 117.A NE GLU 93.A O no hydrogen 2.776 N/A ARG 117.A NH1 ASP 88.A OD1 no hydrogen 2.963 N/A ARG 117.A NH2 ASP 88.A OD1 no hydrogen 2.837 N/A ARG 117.A NH2 ILE 92.A O no hydrogen 2.867 N/A VAL 118.A N SER 115.A O no hydrogen 3.289 N/A ASP 119.A N ALA 95.A O no hydrogen 2.889 N/A ARG 120.A N HIS 96.A ND1 no hydrogen 3.023 N/A ARG 120.A NH1 GLU 270.A OE2 no hydrogen 2.936 N/A MET 121.A N GLU 213.A O no hydrogen 3.157 N/A VAL 122.A N ILE 97.A O no hydrogen 2.891 N/A LEU 123.A N LEU 215.A O no hydrogen 2.863 N/A MET 124.A N GLY 99.A O no hydrogen 3.038 N/A GLY 125.A N ILE 217.A O no hydrogen 2.864 N/A ALA 127.A N ALA 101.A O no hydrogen 2.965 N/A THR 129.A OG1 SER 229.A OG no hydrogen 2.683 N/A VAL 133.A N GLN 194.A OE1 no hydrogen 2.833 N/A THR 134.A OG1 VAL 224.A O no hydrogen 2.668 N/A LEU 137.A N THR 134.A OG1 no hydrogen 2.998 N/A ASN 138.A N THR 134.A O no hydrogen 3.011 N/A ASN 138.A ND2 GLU 191.A OE2 no hydrogen 3.404 N/A ALA 139.A N GLU 135.A O no hydrogen 2.867 N/A VAL 140.A N GLY 136.A O no hydrogen 2.973 N/A TRP 141.A N LEU 137.A O no hydrogen 2.875 N/A TRP 141.A NE1 SER 32.A OG no hydrogen 2.931 N/A GLY 142.A N ASN 138.A O no hydrogen 2.893 N/A TYR 143.A N VAL 140.A O no hydrogen 3.365 N/A TYR 143.A OH SER 176.A OG no hydrogen 2.756 N/A ASN 149.A N SER 146.A OG no hydrogen 2.804 N/A ASN 149.A ND2 THR 144.A O no hydrogen 2.853 N/A MET 150.A N SER 146.A O no hydrogen 2.974 N/A ARG 151.A N ILE 147.A O no hydrogen 2.920 N/A ARG 151.A NH1 VAL 164.A O no hydrogen 3.100 N/A ARG 151.A NH2 ASP 166.A OD1 no hydrogen 2.472 N/A ASN 152.A N GLU 148.A O no hydrogen 3.035 N/A LEU 153.A N ASN 149.A O no hydrogen 3.121 N/A LEU 154.A N MET 150.A O no hydrogen 2.852 N/A ASP 155.A N ARG 151.A O no hydrogen 2.902 N/A ILE 156.A N ASN 152.A O no hydrogen 2.936 N/A PHE 157.A N LEU 153.A O no hydrogen 2.945 N/A ALA 158.A N LEU 154.A O no hydrogen 3.143 N/A TYR 159.A N GLU 255.A OE2 no hydrogen 2.712 N/A SER 162.A N ASP 160.A OD1 no hydrogen 3.137 N/A SER 162.A OG ASP 160.A OD1 no hydrogen 2.649 N/A SER 162.A OG ASP 160.A OD2 no hydrogen 2.870 N/A LEU 163.A N ASP 160.A O no hydrogen 3.090 N/A VAL 164.A N ARG 161.A O no hydrogen 2.848 N/A LEU 168.A N THR 165.A OG1 no hydrogen 3.093 N/A ALA 169.A N THR 165.A O no hydrogen 3.036 N/A ARG 170.A N ASP 166.A O no hydrogen 2.919 N/A LEU 171.A N GLU 167.A O no hydrogen 2.817 N/A ARG 172.A N LEU 168.A O no hydrogen 2.922 N/A ARG 172.A NH1 GLU 3.A OE2 no hydrogen 3.263 N/A TYR 173.A N ALA 169.A O no hydrogen 2.887 N/A GLU 174.A N ARG 170.A O no hydrogen 2.931 N/A ALA 175.A N LEU 171.A O no hydrogen 3.049 N/A SER 176.A N ARG 172.A O no hydrogen 3.013 N/A SER 176.A OG TYR 143.A OH no hydrogen 2.756 N/A SER 176.A OG TYR 173.A O no hydrogen 2.642 N/A ILE 177.A N TYR 173.A O no hydrogen 3.245 N/A ILE 177.A N GLU 174.A O no hydrogen 3.262 N/A GLN 178.A N ALA 175.A O no hydrogen 3.483 N/A GLN 178.A NE2 ALA 175.A O no hydrogen 2.869 N/A PHE 181.A N GLN 178.A O no hydrogen 2.978 N/A GLN 182.A NE2 TYR 143.A O no hydrogen 2.981 N/A GLU 183.A N GLU 183.A OE1 no hydrogen 2.598 N/A SER 184.A N GLY 180.A O no hydrogen 3.199 N/A SER 184.A OG GLY 62.A O no hydrogen 3.308 N/A SER 184.A OG PHE 181.A O no hydrogen 3.344 N/A PHE 185.A N PHE 181.A O no hydrogen 2.937 N/A SER 186.A N GLN 182.A O no hydrogen 2.847 N/A SER 186.A OG GLN 182.A O no hydrogen 2.893 N/A SER 186.A OG GLU 183.A O no hydrogen 3.248 N/A SER 187.A OG GLU 183.A O no hydrogen 3.050 N/A SER 187.A OG SER 184.A O no hydrogen 3.130 N/A MET 188.A N PHE 185.A O no hydrogen 2.986 N/A ARG 193.A N GLU 191.A OE1 no hydrogen 3.217 N/A ARG 193.A NE PHE 189.A O no hydrogen 2.680 N/A ARG 193.A NH1 ASN 138.A OD1 no hydrogen 3.000 N/A GLN 194.A NE2 PHE 131.A O no hydrogen 3.038 N/A GLN 194.A NE2 GLN 194.A O no hydrogen 3.543 N/A GLN 194.A NE2 ASP 198.A OD1 no hydrogen 3.021 N/A ARG 195.A N PRO 192.A O no hydrogen 3.402 N/A ARG 195.A NE PRO 192.A O no hydrogen 2.946 N/A ARG 195.A NH2 PRO 190.A O no hydrogen 2.993 N/A TRP 196.A N ARG 193.A O no hydrogen 3.062 N/A TRP 196.A NE1 PRO 190.A O no hydrogen 2.782 N/A ILE 197.A N ARG 193.A O no hydrogen 3.465 N/A ASP 198.A N GLN 194.A O no hydrogen 3.023 N/A ALA 199.A N ARG 195.A O no hydrogen 2.869 N/A LEU 200.A N TRP 196.A O no hydrogen 3.029 N/A ALA 201.A N ASP 198.A O no hydrogen 3.297 N/A SER 202.A N GLY 128.A O no hydrogen 2.815 N/A ASP 206.A N SER 203.A OG no hydrogen 3.022 N/A ILE 207.A N SER 203.A O no hydrogen 2.919 N/A LYS 208.A N ASP 204.A O no hydrogen 3.029 N/A THR 209.A N ASP 206.A O no hydrogen 2.934 N/A THR 209.A OG1 ASP 206.A O no hydrogen 2.553 N/A LEU 210.A N ILE 207.A O no hydrogen 3.123 N/A ASN 212.A ND2 ASP 119.A O no hydrogen 2.786 N/A THR 214.A N ARG 239.A O no hydrogen 2.745 N/A THR 214.A OG1 ASN 212.A O no hydrogen 2.979 N/A LEU 215.A N MET 121.A O no hydrogen 2.829 N/A ILE 216.A N GLN 241.A O no hydrogen 2.781 N/A ILE 217.A N LEU 123.A O no hydrogen 2.795 N/A HIS 218.A N HIS 243.A O no hydrogen 3.057 N/A HIS 218.A ND1 SER 230.A OG no hydrogen 2.513 N/A HIS 218.A NE2 VAL 225.A O no hydrogen 2.791 N/A ARG 220.A N PHE 245.A O no hydrogen 2.819 N/A ARG 220.A NE GLU 221.A OE2 no hydrogen 2.772 N/A ARG 220.A NH2 GLU 221.A OE2 no hydrogen 2.949 N/A GLU 221.A N CYS 248.A O no hydrogen 3.038 N/A ASP 222.A N GLY 219.A O no hydrogen 2.955 N/A GLN 223.A NE2 ASP 155.A O no hydrogen 3.553 N/A VAL 224.A N ASP 222.A OD1 no hydrogen 2.773 N/A VAL 225.A N ASP 222.A OD1 no hydrogen 2.980 N/A SER 229.A N PRO 226.A O no hydrogen 2.961 N/A SER 229.A OG THR 129.A OG1 no hydrogen 2.683 N/A SER 230.A OG HIS 218.A ND1 no hydrogen 2.513 N/A LEU 231.A N LEU 227.A O no hydrogen 2.930 N/A ARG 232.A N SER 228.A O no hydrogen 3.030 N/A ARG 232.A NH2 ASP 204.A OD2 no hydrogen 2.835 N/A LEU 233.A N SER 229.A O no hydrogen 3.077 N/A GLY 234.A N SER 230.A O no hydrogen 2.880 N/A GLU 235.A N ARG 232.A O no hydrogen 3.035 N/A LEU 236.A N ARG 232.A O no hydrogen 3.000 N/A ILE 237.A N LEU 233.A O no hydrogen 3.010 N/A ARG 239.A NH1 GLU 213.A OE2 no hydrogen 3.130 N/A GLN 241.A N THR 214.A O no hydrogen 3.013 N/A HIS 243.A N ILE 216.A O no hydrogen 2.753 N/A PHE 245.A N HIS 218.A O no hydrogen 2.891 N/A CYS 248.A N GLU 221.A OE1 no hydrogen 2.988 N/A CYS 248.A SG GLY 249.A O no hydrogen 3.910 N/A CYS 248.A SG THR 252.A OG1 no hydrogen 3.554 N/A GLY 249.A N GLU 255.A OE1 no hydrogen 3.012 N/A GLY 249.A N GLU 255.A OE2 no hydrogen 2.764 N/A HIS 250.A N PHE 157.A O no hydrogen 2.836 N/A HIS 250.A ND1 ASP 222.A OD2 no hydrogen 2.575 N/A TRP 251.A N GLU 255.A OE1 no hydrogen 2.837 N/A GLN 253.A N GLN 253.A OE1 no hydrogen 2.595 N/A GLN 253.A NE2 ASN 41.A O no hydrogen 3.075 N/A ILE 254.A N TRP 251.A O no hydrogen 2.845 N/A GLU 255.A N TRP 251.A O no hydrogen 2.823 N/A GLN 256.A N THR 252.A O no hydrogen 2.897 N/A GLN 256.A NE2 GLU 255.A O no hydrogen 3.679 N/A THR 257.A OG1 GLN 253.A O no hydrogen 2.853 N/A THR 257.A OG1 ILE 254.A O no hydrogen 3.043 N/A ARG 259.A NH1 GLN 256.A OE1 no hydrogen 2.939 N/A PHE 260.A N GLN 256.A O no hydrogen 2.863 N/A ASN 261.A N THR 257.A O no hydrogen 2.860 N/A ASN 261.A ND2 LEU 44.A O no hydrogen 3.272 N/A ARG 262.A N ASP 258.A O no hydrogen 3.004 N/A LEU 263.A N ARG 259.A O no hydrogen 3.021 N/A VAL 264.A N PHE 260.A O no hydrogen 2.974 N/A VAL 265.A N ASN 261.A O no hydrogen 2.921 N/A GLU 266.A N ARG 262.A O no hydrogen 3.066 N/A PHE 267.A N LEU 263.A O no hydrogen 2.968 N/A PHE 268.A N VAL 264.A O no hydrogen 2.981 N/A ASN 269.A N VAL 265.A O no hydrogen 2.793 N/A ASN 269.A ND2 TYR 53.A OH no hydrogen 2.583 N/A GLU 270.A N GLU 266.A O no hydrogen 3.275 N/A ALA 271.A N PHE 268.A O no hydrogen 3.073 N/A