Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ual_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE GLU 39.A OE1 no hydrogen 3.391 N/A ARG 2.A NE GLU 39.A OE2 no hydrogen 2.672 N/A ARG 2.A NH2 GLU 34.A O no hydrogen 2.935 N/A ARG 2.A NH2 GLU 39.A OE1 no hydrogen 2.755 N/A LEU 5.A N ASP 1.A O no hydrogen 2.886 N/A VAL 6.A N ARG 2.A O no hydrogen 3.024 N/A TYR 7.A N GLU 3.A O no hydrogen 3.035 N/A GLN 8.A N ASP 4.A O no hydrogen 2.902 N/A ALA 9.A N LEU 5.A O no hydrogen 2.820 N/A LYS 10.A N VAL 6.A O no hydrogen 2.886 N/A LYS 10.A NZ GLU 38.A OE1 no hydrogen 2.919 N/A LEU 11.A N TYR 7.A O no hydrogen 2.853 N/A ALA 12.A N GLN 8.A O no hydrogen 2.901 N/A GLU 13.A N ALA 9.A O no hydrogen 2.799 N/A GLN 14.A N LYS 10.A O no hydrogen 2.925 N/A ALA 15.A N LEU 11.A O no hydrogen 2.930 N/A GLU 16.A N GLU 13.A O no hydrogen 3.056 N/A ARG 17.A N ALA 12.A O no hydrogen 2.883 N/A ARG 17.A NE GLU 20.A OE2 no hydrogen 2.836 N/A ARG 17.A NH2 GLU 20.A OE1 no hydrogen 2.824 N/A ARG 17.A NH2 GLU 20.A OE2 no hydrogen 3.475 N/A MET 21.A N ARG 17.A O no hydrogen 3.238 N/A VAL 22.A N TYR 18.A O no hydrogen 2.889 N/A GLU 23.A N.A ASP 19.A O no hydrogen 3.020 N/A GLU 23.A N.B ASP 19.A O no hydrogen 3.056 N/A SER 24.A N GLU 20.A O no hydrogen 2.997 N/A SER 24.A OG GLU 20.A O no hydrogen 3.274 N/A MET 25.A N MET 21.A O no hydrogen 2.998 N/A LYS 26.A N VAL 22.A O no hydrogen 2.786 N/A LYS 26.A NZ GLU 23.A OE2.B no hydrogen 2.992 N/A LYS 26.A NZ ASP 97.A OD1 no hydrogen 3.146 N/A LYS 26.A NZ ASP 97.A OD2 no hydrogen 2.991 N/A LYS 27.A N GLU 23.A O.A no hydrogen 3.141 N/A LYS 27.A N GLU 23.A O.B no hydrogen 3.318 N/A VAL 28.A N SER 24.A O no hydrogen 3.244 N/A ALA 29.A N MET 25.A O no hydrogen 2.940 N/A GLY 30.A N LYS 26.A O no hydrogen 2.885 N/A MET 31.A N VAL 28.A O no hydrogen 3.047 N/A ASP 32.A N ALA 29.A O no hydrogen 3.270 N/A THR 36.A N GLU 39.A OE1 no hydrogen 2.944 N/A GLU 39.A N THR 36.A OG1 no hydrogen 2.884 N/A ARG 40.A N THR 36.A O no hydrogen 2.891 N/A ARG 40.A NH2.A GLU 114.A OE1 no hydrogen 2.986 N/A ASN 41.A N VAL 37.A O no hydrogen 3.009 N/A LEU 42.A N GLU 38.A O no hydrogen 2.891 N/A LEU 43.A N GLU 39.A O no hydrogen 2.900 N/A SER 44.A N ARG 40.A O no hydrogen 2.894 N/A VAL 45.A N ASN 41.A O no hydrogen 2.889 N/A ALA 46.A N LEU 42.A O no hydrogen 2.906 N/A TYR 47.A N LEU 43.A O no hydrogen 3.098 N/A TYR 47.A OH ASP 97.A OD2 no hydrogen 2.623 N/A LYS 48.A N SER 44.A O no hydrogen 2.750 N/A LYS 48.A NZ.A ASP 125.A OD2 no hydrogen 3.411 N/A LYS 48.A NZ.A TYR 129.A OH no hydrogen 2.964 N/A ASN 49.A N VAL 45.A O no hydrogen 2.965 N/A ASN 49.A ND2 VAL 45.A O no hydrogen 2.931 N/A VAL 50.A N ALA 46.A O no hydrogen 3.083 N/A ILE 51.A N TYR 47.A O no hydrogen 2.833 N/A GLY 52.A N LYS 48.A O no hydrogen 2.751 N/A ALA 53.A N ASN 49.A O no hydrogen 3.053 N/A ARG 54.A NE GLU 90.A OE2 no hydrogen 2.894 N/A ARG 54.A NH2 VAL 50.A O no hydrogen 3.028 N/A ARG 55.A N ILE 51.A O no hydrogen 2.849 N/A ARG 55.A NE GLU 132.A OE2 no hydrogen 2.975 N/A ARG 55.A NH2 GLU 132.A OE1 no hydrogen 2.919 N/A ARG 55.A NH2 GLU 132.A OE2 no hydrogen 3.448 N/A ALA 56.A N GLY 52.A O no hydrogen 2.826 N/A SER 57.A N ALA 53.A O no hydrogen 3.009 N/A SER 57.A OG ALA 53.A O no hydrogen 3.067 N/A TRP 58.A N ARG 54.A O no hydrogen 2.767 N/A TRP 58.A NE1 GLU 88.A OE2 no hydrogen 2.773 N/A ARG 59.A N ARG 55.A O no hydrogen 2.972 N/A ILE 60.A N ALA 56.A O no hydrogen 3.104 N/A ILE 61.A N SER 57.A O no hydrogen 2.900 N/A SER 62.A N TRP 58.A O no hydrogen 2.850 N/A SER 62.A OG.A TRP 58.A O no hydrogen 3.069 N/A SER 63.A N ARG 59.A O no hydrogen 3.006 N/A SER 63.A OG.A ARG 59.A O no hydrogen 2.940 N/A SER 63.A OG.B ARG 59.A O no hydrogen 3.442 N/A SER 63.A OG.B ILE 60.A O no hydrogen 2.651 N/A ILE 64.A N ILE 60.A O no hydrogen 2.985 N/A GLU 65.A N ILE 61.A O no hydrogen 2.842 N/A GLN 66.A N SER 62.A O no hydrogen 2.982 N/A LYS 67.A N SER 63.A O no hydrogen 3.079 N/A LYS 67.A NZ.A GLU 68.A OE2 no hydrogen 3.129 N/A GLU 68.A N ILE 64.A O no hydrogen 3.011 N/A GLU 69.A N GLU 65.A O no hydrogen 2.969 N/A ASN 70.A N GLN 66.A O no hydrogen 3.425 N/A ASN 70.A N LYS 67.A O no hydrogen 3.105 N/A ASN 70.A ND2 GLN 66.A O no hydrogen 2.989 N/A LYS 71.A N GLU 68.A O no hydrogen 2.977 N/A LEU 77.A N GLY 73.A O no hydrogen 2.899 N/A LYS 78.A N GLU 74.A O no hydrogen 2.960 N/A MET 79.A N ASP 75.A O no hydrogen 3.414 N/A ILE 80.A N LYS 76.A O no hydrogen 2.908 N/A ARG 81.A N LEU 77.A O no hydrogen 2.949 N/A ARG 81.A NE GLU 65.A OE1 no hydrogen 3.120 N/A ARG 81.A NH2 GLU 69.A OE2 no hydrogen 2.915 N/A GLU 82.A N LYS 78.A O no hydrogen 3.050 N/A TYR 83.A N MET 79.A O no hydrogen 3.023 N/A ARG 84.A N ILE 80.A O no hydrogen 2.856 N/A ARG 84.A NE GLU 65.A OE2 no hydrogen 2.520 N/A ARG 84.A NH1 GLU 88.A OE2 no hydrogen 2.868 N/A ARG 84.A NH2 GLU 65.A OE1 no hydrogen 3.035 N/A ARG 84.A NH2 GLU 65.A OE2 no hydrogen 3.269 N/A GLN 85.A N ARG 81.A O no hydrogen 2.961 N/A MET 86.A N GLU 82.A O no hydrogen 3.069 N/A VAL 87.A N TYR 83.A O no hydrogen 3.042 N/A GLU 88.A N ARG 84.A O no hydrogen 2.764 N/A THR 89.A N GLN 85.A O no hydrogen 2.927 N/A THR 89.A OG1 GLN 85.A O no hydrogen 3.174 N/A GLU 90.A N MET 86.A O no hydrogen 3.145 N/A LEU 91.A N VAL 87.A O no hydrogen 2.881 N/A LYS 92.A N GLU 88.A O no hydrogen 2.862 N/A LEU 93.A N THR 89.A O no hydrogen 2.944 N/A ILE 94.A N GLU 90.A O no hydrogen 2.829 N/A CYS 95.A N LEU 91.A O no hydrogen 2.931 N/A CYS 95.A SG LEU 91.A O no hydrogen 3.322 N/A CYS 95.A SG TYR 126.A O no hydrogen 3.521 N/A CYS 96.A N LYS 92.A O no hydrogen 2.890 N/A CYS 96.A SG LYS 92.A O no hydrogen 3.267 N/A ASP 97.A N LEU 93.A O no hydrogen 2.975 N/A ILE 98.A N ILE 94.A O no hydrogen 3.124 N/A LEU 99.A N CYS 95.A O no hydrogen 2.827 N/A ASP 100.A N CYS 96.A O no hydrogen 2.945 N/A VAL 101.A N ASP 97.A O no hydrogen 3.008 N/A LEU 102.A N ILE 98.A O no hydrogen 2.788 N/A ASP 103.A N LEU 99.A O no hydrogen 2.925 N/A LYS 104.A N ASP 100.A O no hydrogen 2.856 N/A LYS 104.A NZ ASP 100.A OD2 no hydrogen 2.922 N/A HIS 105.A N VAL 101.A O no hydrogen 2.975 N/A HIS 105.A ND1 ASP 32.A OD1 no hydrogen 2.482 N/A LEU 106.A N VAL 101.A O no hydrogen 3.088 N/A ILE 107.A N LEU 102.A O no hydrogen 2.833 N/A ALA 109.A N HIS 105.A O no hydrogen 3.344 N/A ALA 109.A N LEU 106.A O no hydrogen 3.323 N/A ALA 110.A N ILE 107.A O no hydrogen 3.183 N/A ASN 111.A N GLU 34.A OE1 no hydrogen 2.635 N/A THR 112.A OG1 SER 115.A OG no hydrogen 3.012 N/A SER 115.A N THR 112.A OG1 no hydrogen 2.998 N/A SER 115.A OG GLU 34.A OE2 no hydrogen 2.688 N/A SER 115.A OG THR 112.A O no hydrogen 3.323 N/A SER 115.A OG THR 112.A OG1 no hydrogen 3.012 N/A LYS 116.A N THR 112.A O no hydrogen 3.013 N/A VAL 117.A N GLY 113.A O no hydrogen 2.932 N/A PHE 118.A N GLU 114.A O no hydrogen 2.906 N/A TYR 119.A N SER 115.A O no hydrogen 2.907 N/A TYR 120.A N LYS 116.A O no hydrogen 3.003 N/A LYS 121.A N VAL 117.A O no hydrogen 2.883 N/A LYS 121.A NZ ASP 125.A OD2 no hydrogen 2.899 N/A MET 122.A N PHE 118.A O no hydrogen 2.847 N/A LYS 123.A N TYR 119.A O no hydrogen 2.902 N/A LYS 123.A NZ ASP 103.A OD1 no hydrogen 2.973 N/A GLY 124.A N TYR 120.A O no hydrogen 2.939 N/A ASP 125.A N LYS 121.A O no hydrogen 2.860 N/A TYR 126.A N MET 122.A O no hydrogen 2.868 N/A HIS 127.A N LYS 123.A O no hydrogen 3.066 N/A ARG 128.A N GLY 124.A O no hydrogen 2.879 N/A ARG 128.A NE TYR 150.A OH no hydrogen 2.873 N/A ARG 128.A NH2 ASP 125.A OD1 no hydrogen 3.177 N/A ARG 128.A NH2 TYR 150.A OH no hydrogen 3.473 N/A TYR 129.A N ASP 125.A O no hydrogen 2.788 N/A LEU 130.A N TYR 126.A O no hydrogen 2.986 N/A ALA 131.A N HIS 127.A O no hydrogen 2.877 N/A GLU 132.A N ARG 128.A O no hydrogen 2.997 N/A GLU 132.A N TYR 129.A O no hydrogen 3.271 N/A ALA 134.A N LEU 130.A O no hydrogen 3.197 N/A ASN 137.A ND2.A GLU 141.A OE2 no hydrogen 2.349 N/A ARG 139.A N THR 135.A O no hydrogen 3.184 N/A ARG 139.A NH2 GLU 181.A O no hydrogen 3.546 N/A ARG 139.A NH2 ILE 182.A O no hydrogen 3.534 N/A LYS 140.A N GLY 136.A O no hydrogen 3.181 N/A GLU 141.A N ASN 137.A O no hydrogen 2.913 N/A ALA 142.A N ASP 138.A O no hydrogen 2.977 N/A ALA 143.A N ARG 139.A O no hydrogen 2.888 N/A GLU 144.A N LYS 140.A O no hydrogen 2.890 N/A ASN 145.A N GLU 141.A O no hydrogen 2.888 N/A SER 146.A N ALA 142.A O no hydrogen 2.817 N/A SER 146.A OG GLY 124.A O no hydrogen 2.838 N/A LEU 147.A N ALA 143.A O no hydrogen 2.991 N/A VAL 148.A N GLU 144.A O no hydrogen 3.017 N/A ALA 149.A N ASN 145.A O no hydrogen 3.161 N/A TYR 150.A N SER 146.A O no hydrogen 2.892 N/A TYR 150.A OH ASP 125.A OD1 no hydrogen 2.548 N/A LYS 151.A N LEU 147.A O no hydrogen 2.806 N/A ALA 152.A N VAL 148.A O no hydrogen 3.012 N/A ALA 153.A N ALA 149.A O no hydrogen 2.911 N/A SER 154.A N TYR 150.A O no hydrogen 2.867 N/A SER 154.A OG TYR 150.A O no hydrogen 2.806 N/A ASP 155.A N LYS 151.A O no hydrogen 2.885 N/A ILE 156.A N ALA 152.A O no hydrogen 3.282 N/A ALA 157.A N ALA 153.A O no hydrogen 2.792 N/A MET 158.A N SER 154.A O no hydrogen 2.822 N/A THR 159.A N ASP 155.A O no hydrogen 3.317 N/A THR 159.A N ILE 156.A O no hydrogen 3.207 N/A THR 159.A OG1 ASP 155.A O no hydrogen 3.213 N/A THR 159.A OG1 ILE 156.A O no hydrogen 3.230 N/A THR 159.A OG1 GLU 160.A OE1.B no hydrogen 2.905 N/A GLU 160.A N ILE 156.A O no hydrogen 2.813 N/A LEU 161.A N ALA 157.A O no hydrogen 3.031 N/A THR 164.A OG1 THR 206.A OG1 no hydrogen 2.675 N/A HIS 165.A N PRO 162.A O no hydrogen 2.899 N/A HIS 165.A NE2 GLU 114.A OE2 no hydrogen 2.888 N/A ILE 167.A N HIS 165.A ND1 no hydrogen 3.042 N/A ARG 168.A NH1 LEU 161.A O no hydrogen 2.845 N/A LEU 169.A N HIS 165.A O no hydrogen 2.807 N/A GLY 170.A N PRO 166.A O no hydrogen 2.778 N/A LEU 171.A N ILE 167.A O no hydrogen 2.772 N/A ALA 172.A N ARG 168.A O no hydrogen 2.941 N/A LEU 173.A N LEU 169.A O no hydrogen 2.822 N/A ASN 174.A N GLY 170.A O no hydrogen 2.923 N/A ASN 174.A ND2 ASP 125.A OD1 no hydrogen 2.908 N/A ASN 174.A ND2 ASP 125.A OD2 no hydrogen 3.261 N/A PHE 175.A N LEU 171.A O no hydrogen 2.786 N/A SER 176.A N ALA 172.A O no hydrogen 2.798 N/A SER 176.A OG.A ALA 172.A O no hydrogen 3.305 N/A SER 176.A OG.A LEU 173.A O no hydrogen 2.816 N/A SER 176.A OG.B ALA 172.A O no hydrogen 2.529 N/A VAL 177.A N LEU 173.A O no hydrogen 3.041 N/A PHE 178.A N ASN 174.A O no hydrogen 2.984 N/A TYR 179.A N PHE 175.A O no hydrogen 3.035 N/A TYR 180.A N SER 176.A O no hydrogen 3.017 N/A GLU 181.A N VAL 177.A O no hydrogen 2.759 N/A ILE 182.A N PHE 178.A O no hydrogen 2.919 N/A LEU 183.A N PHE 178.A O no hydrogen 3.174 N/A SER 185.A N.A TYR 179.A O no hydrogen 2.743 N/A SER 185.A N.B TYR 179.A O no hydrogen 2.749 N/A SER 185.A OG.A LEU 183.A O no hydrogen 3.566 N/A SER 185.A OG.B ASP 187.A OD1.B no hydrogen 2.795 N/A ARG 188.A NE SER 185.A OG.A no hydrogen 2.928 N/A ARG 188.A NE SER 185.A OG.B no hydrogen 2.656 N/A ARG 188.A NH2 SER 185.A OG.A no hydrogen 2.518 N/A ALA 189.A N SER 185.A O.A no hydrogen 2.954 N/A ALA 189.A N SER 185.A O.B no hydrogen 2.955 N/A CYS 190.A N PRO 186.A O no hydrogen 2.826 N/A CYS 190.A SG PRO 186.A O no hydrogen 3.259 N/A ARG 191.A N ASP 187.A O no hydrogen 3.040 N/A LEU 192.A N ARG 188.A O no hydrogen 2.974 N/A ALA 193.A N ALA 189.A O no hydrogen 3.029 N/A LYS 194.A N CYS 190.A O no hydrogen 2.807 N/A ALA 195.A N ARG 191.A O no hydrogen 2.892 N/A ALA 196.A N LEU 192.A O no hydrogen 2.998 N/A PHE 197.A N ALA 193.A O no hydrogen 2.977 N/A ASP 198.A N LYS 194.A O no hydrogen 2.853 N/A ASP 199.A N ALA 195.A O no hydrogen 2.833 N/A ALA 200.A N ALA 196.A O no hydrogen 3.102 N/A ILE 201.A N PHE 197.A O no hydrogen 2.905 N/A ALA 202.A N ASP 198.A O no hydrogen 2.943 N/A GLU 203.A N ALA 200.A O no hydrogen 3.062 N/A THR 206.A N GLU 203.A O no hydrogen 2.825 N/A THR 206.A OG1 THR 164.A OG1 no hydrogen 2.675 N/A THR 206.A OG1 GLU 203.A O no hydrogen 2.675 N/A LEU 207.A N LEU 204.A O no hydrogen 3.062 N/A GLU 209.A N GLU 209.A OE1 no hydrogen 2.715 N/A GLU 210.A N SER 208.A OG no hydrogen 2.964 N/A SER 211.A N SER 208.A O no hydrogen 3.045 N/A SER 215.A N SER 211.A O no hydrogen 2.835 N/A SER 215.A OG THR 164.A O no hydrogen 2.550 N/A SER 215.A OG SER 211.A O no hydrogen 3.493 N/A THR 216.A N TYR 212.A O no hydrogen 2.917 N/A THR 216.A OG1 TYR 212.A O no hydrogen 3.002 N/A LEU 217.A N LYS 213.A O no hydrogen 2.918 N/A ILE 218.A N ASP 214.A O no hydrogen 3.108 N/A MET 219.A N SER 215.A O no hydrogen 2.904 N/A GLN 220.A N THR 216.A O no hydrogen 2.983 N/A GLN 220.A NE2 ASP 224.A OD1 no hydrogen 2.731 N/A LEU 221.A N LEU 217.A O no hydrogen 2.999 N/A LEU 222.A N ILE 218.A O no hydrogen 2.792 N/A ARG 223.A N MET 219.A O no hydrogen 3.009 N/A ASP 224.A N GLN 220.A O no hydrogen 2.817 N/A ASN 225.A N LEU 221.A O no hydrogen 2.851 N/A LEU 226.A N LEU 222.A O no hydrogen 3.004 N/A THR 227.A N ARG 223.A O no hydrogen 2.965 N/A THR 227.A OG1 ARG 223.A O no hydrogen 3.120 N/A LEU 228.A N ASP 224.A O no hydrogen 2.918 N/A TRP 229.A N ASN 225.A O no hydrogen 2.708 N/A THR 230.A N THR 227.A O no hydrogen 3.334 N/A THR 230.A OG1 LEU 226.A O no hydrogen 2.530 N/A