Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ubw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE GLU 39.A OE1 no hydrogen 3.224 N/A ARG 2.A NE GLU 39.A OE2 no hydrogen 2.748 N/A ARG 2.A NH2 GLU 34.A O no hydrogen 2.849 N/A ARG 2.A NH2 GLU 39.A OE1 no hydrogen 2.663 N/A LEU 5.A N ASP 1.A O no hydrogen 2.815 N/A VAL 6.A N ARG 2.A O no hydrogen 3.033 N/A TYR 7.A N GLU 3.A O no hydrogen 3.042 N/A GLN 8.A N ASP 4.A O no hydrogen 2.867 N/A ALA 9.A N LEU 5.A O no hydrogen 2.848 N/A LYS 10.A N VAL 6.A O no hydrogen 2.866 N/A LYS 10.A NZ GLU 38.A OE1 no hydrogen 2.834 N/A LEU 11.A N TYR 7.A O no hydrogen 2.866 N/A ALA 12.A N GLN 8.A O no hydrogen 2.925 N/A GLU 13.A N ALA 9.A O no hydrogen 2.897 N/A GLN 14.A N LYS 10.A O no hydrogen 2.971 N/A ALA 15.A N LEU 11.A O no hydrogen 2.927 N/A GLU 16.A N GLU 13.A O no hydrogen 3.037 N/A ARG 17.A N ALA 12.A O no hydrogen 2.880 N/A ARG 17.A NE GLU 20.A OE2 no hydrogen 2.712 N/A ARG 17.A NH2 GLU 20.A OE1 no hydrogen 2.532 N/A ARG 17.A NH2 GLU 20.A OE2 no hydrogen 3.298 N/A MET 21.A N ARG 17.A O no hydrogen 3.227 N/A VAL 22.A N TYR 18.A O no hydrogen 2.980 N/A GLU 23.A N ASP 19.A O no hydrogen 3.063 N/A SER 24.A N GLU 20.A O no hydrogen 3.077 N/A SER 24.A OG GLU 20.A O no hydrogen 3.289 N/A MET 25.A N MET 21.A O no hydrogen 2.984 N/A LYS 26.A N VAL 22.A O no hydrogen 2.770 N/A LYS 26.A NZ ASP 96.A OD1 no hydrogen 2.987 N/A LYS 26.A NZ ASP 96.A OD2 no hydrogen 3.054 N/A LYS 27.A N GLU 23.A O no hydrogen 3.167 N/A VAL 28.A N SER 24.A O no hydrogen 3.284 N/A ALA 29.A N MET 25.A O no hydrogen 2.883 N/A GLY 30.A N LYS 26.A O no hydrogen 2.918 N/A MET 31.A N VAL 28.A O no hydrogen 2.934 N/A ASP 32.A N ALA 29.A O no hydrogen 3.337 N/A THR 36.A N GLU 39.A OE1 no hydrogen 3.147 N/A GLU 39.A N THR 36.A OG1 no hydrogen 2.988 N/A ARG 40.A N THR 36.A O no hydrogen 2.919 N/A ARG 40.A NH2.A GLU 113.A OE1 no hydrogen 2.532 N/A ARG 40.A NH2.B LEU 35.A O no hydrogen 2.876 N/A ASN 41.A N VAL 37.A O no hydrogen 2.962 N/A LEU 42.A N GLU 38.A O no hydrogen 2.831 N/A LEU 43.A N GLU 39.A O no hydrogen 2.820 N/A SER 44.A N ARG 40.A O no hydrogen 2.966 N/A VAL 45.A N ASN 41.A O no hydrogen 2.890 N/A ALA 46.A N LEU 42.A O no hydrogen 2.912 N/A TYR 47.A N LEU 43.A O no hydrogen 3.131 N/A TYR 47.A OH ASP 96.A OD2 no hydrogen 2.646 N/A LYS 48.A N SER 44.A O no hydrogen 2.750 N/A LYS 48.A NZ.A ASP 124.A OD2 no hydrogen 3.144 N/A ASN 49.A N VAL 45.A O no hydrogen 2.913 N/A ASN 49.A ND2 VAL 45.A O no hydrogen 2.928 N/A VAL 50.A N ALA 46.A O no hydrogen 3.011 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 2.724 N/A ALA 53.A N ASN 49.A O no hydrogen 2.996 N/A ARG 54.A NE GLU 90.A OE2 no hydrogen 2.906 N/A ARG 54.A NH2 VAL 50.A O no hydrogen 3.061 N/A ARG 55.A N ILE 51.A O no hydrogen 2.811 N/A ARG 55.A NE GLU 131.A OE2 no hydrogen 2.931 N/A ARG 55.A NH2 GLU 131.A OE1 no hydrogen 2.889 N/A ARG 55.A NH2 GLU 131.A OE2 no hydrogen 3.496 N/A ALA 56.A N GLY 52.A O no hydrogen 2.904 N/A SER 57.A N ALA 53.A O no hydrogen 2.958 N/A SER 57.A OG ALA 53.A O no hydrogen 3.174 N/A TRP 58.A N ARG 54.A O no hydrogen 2.729 N/A TRP 58.A NE1 GLU 88.A OE2 no hydrogen 2.807 N/A ARG 59.A N ARG 55.A O no hydrogen 2.944 N/A ILE 60.A N ALA 56.A O no hydrogen 3.027 N/A ILE 61.A N SER 57.A O no hydrogen 2.877 N/A SER 62.A N.A TRP 58.A O no hydrogen 2.816 N/A SER 62.A N.B TRP 58.A O no hydrogen 2.783 N/A SER 62.A OG.A TRP 58.A O no hydrogen 2.834 N/A SER 63.A N.A ARG 59.A O no hydrogen 3.029 N/A SER 63.A N.B ARG 59.A O no hydrogen 2.939 N/A SER 63.A OG.A ARG 59.A O no hydrogen 2.844 N/A SER 63.A OG.B ARG 59.A O no hydrogen 3.310 N/A SER 63.A OG.B ILE 60.A O no hydrogen 2.643 N/A ILE 64.A N ILE 60.A O no hydrogen 2.945 N/A GLU 65.A N ILE 61.A O no hydrogen 2.809 N/A GLN 66.A N.A SER 62.A O.A no hydrogen 2.885 N/A GLN 66.A N.A SER 62.A O.B no hydrogen 2.932 N/A GLN 66.A N.B SER 62.A O.A no hydrogen 2.910 N/A GLN 66.A N.B SER 62.A O.B no hydrogen 2.958 N/A LYS 67.A N SER 63.A O.A no hydrogen 2.976 N/A LYS 67.A N SER 63.A O.B no hydrogen 3.194 N/A GLU 68.A N ILE 64.A O no hydrogen 2.916 N/A GLU 69.A N GLU 65.A O no hydrogen 2.885 N/A ASN 70.A N GLN 66.A O.A no hydrogen 3.359 N/A ASN 70.A N GLN 66.A O.B no hydrogen 3.418 N/A ASN 70.A ND2 GLN 66.A O.A no hydrogen 2.945 N/A ASN 70.A ND2 GLN 66.A O.B no hydrogen 2.855 N/A LYS 71.A N GLU 68.A O no hydrogen 2.992 N/A GLY 72.A N GLU 69.A O no hydrogen 3.344 N/A LEU 77.A N GLY 73.A O no hydrogen 2.966 N/A LYS 78.A N GLU 74.A O no hydrogen 3.044 N/A ILE 80.A N LYS 76.A O no hydrogen 2.902 N/A ARG 81.A N LEU 77.A O no hydrogen 2.894 N/A ARG 81.A NE GLU 65.A OE1 no hydrogen 2.903 N/A ARG 81.A NH2 GLU 69.A OE2 no hydrogen 2.567 N/A GLU 82.A N LYS 78.A O no hydrogen 3.023 N/A TYR 83.A N MET 79.A O no hydrogen 2.954 N/A ARG 84.A N ILE 80.A O no hydrogen 2.751 N/A ARG 84.A NE GLU 65.A OE2 no hydrogen 2.658 N/A ARG 84.A NH1 GLU 88.A OE2 no hydrogen 2.906 N/A ARG 84.A NH2 GLU 65.A OE1 no hydrogen 3.042 N/A ARG 84.A NH2 GLU 65.A OE2 no hydrogen 3.203 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 3.213 N/A VAL 87.A N TYR 83.A O no hydrogen 3.109 N/A GLU 88.A N ARG 84.A O no hydrogen 2.810 N/A THR 89.A N GLN 85.A O no hydrogen 2.836 N/A THR 89.A OG1 GLN 85.A O no hydrogen 3.111 N/A GLU 90.A N MET 86.A O no hydrogen 3.136 N/A LEU 91.A N VAL 87.A O no hydrogen 2.869 N/A LYS 92.A N.A GLU 88.A O no hydrogen 2.854 N/A LYS 92.A N.B GLU 88.A O no hydrogen 2.858 N/A LEU 93.A N THR 89.A O no hydrogen 2.958 N/A ILE 94.A N GLU 90.A O no hydrogen 2.871 N/A CYS 95.A N LEU 91.A O no hydrogen 2.896 N/A CYS 95.A SG LEU 91.A O no hydrogen 3.298 N/A CYS 95.A SG TYR 125.A O no hydrogen 3.631 N/A ILE 97.A N ILE 94.A O no hydrogen 3.193 N/A LEU 98.A N CYS 95.A O no hydrogen 3.008 N/A VAL 100.A N ASP 96.A O no hydrogen 3.089 N/A LEU 101.A N ILE 97.A O no hydrogen 2.737 N/A ASP 102.A N LEU 98.A O no hydrogen 2.980 N/A LYS 103.A N.A ASP 99.A O.A no hydrogen 2.803 N/A LYS 103.A N.A ASP 99.A O.B no hydrogen 2.830 N/A LYS 103.A N.B ASP 99.A O.A no hydrogen 2.880 N/A LYS 103.A N.B ASP 99.A O.B no hydrogen 2.910 N/A LYS 103.A NZ.B ASP 99.A OD2.A no hydrogen 2.430 N/A HIS 104.A N VAL 100.A O no hydrogen 2.924 N/A HIS 104.A ND1 ASP 32.A OD1 no hydrogen 2.655 N/A LEU 105.A N VAL 100.A O no hydrogen 3.031 N/A ILE 106.A N LEU 101.A O no hydrogen 2.885 N/A ALA 108.A N HIS 104.A O no hydrogen 3.253 N/A ALA 109.A N ILE 106.A O no hydrogen 3.024 N/A ASN 110.A N GLU 34.A OE1 no hydrogen 2.802 N/A THR 111.A N SER 114.A OG no hydrogen 3.376 N/A THR 111.A OG1 SER 114.A OG no hydrogen 2.709 N/A SER 114.A N THR 111.A OG1 no hydrogen 2.937 N/A SER 114.A OG GLU 34.A OE2 no hydrogen 2.936 N/A SER 114.A OG THR 111.A O no hydrogen 3.043 N/A SER 114.A OG THR 111.A OG1 no hydrogen 2.709 N/A LYS 115.A N THR 111.A O no hydrogen 2.896 N/A VAL 116.A N GLY 112.A O no hydrogen 2.999 N/A PHE 117.A N GLU 113.A O no hydrogen 2.943 N/A TYR 118.A N SER 114.A O no hydrogen 2.927 N/A TYR 119.A N LYS 115.A O no hydrogen 2.942 N/A LYS 120.A N VAL 116.A O no hydrogen 2.816 N/A LYS 120.A NZ ASP 124.A OD2 no hydrogen 2.930 N/A MET 121.A N PHE 117.A O no hydrogen 2.931 N/A LYS 122.A N TYR 118.A O no hydrogen 2.885 N/A LYS 122.A NZ ASP 102.A OD1 no hydrogen 3.296 N/A GLY 123.A N TYR 119.A O no hydrogen 2.924 N/A ASP 124.A N LYS 120.A O no hydrogen 2.735 N/A TYR 125.A N MET 121.A O no hydrogen 2.869 N/A HIS 126.A N LYS 122.A O no hydrogen 2.989 N/A ARG 127.A N GLY 123.A O no hydrogen 2.933 N/A ARG 127.A NE TYR 149.A OH no hydrogen 2.851 N/A ARG 127.A NH2 ASP 124.A OD1 no hydrogen 3.219 N/A ARG 127.A NH2 TYR 149.A OH no hydrogen 3.507 N/A TYR 128.A N ASP 124.A O no hydrogen 2.829 N/A LEU 129.A N TYR 125.A O no hydrogen 3.048 N/A ALA 130.A N HIS 126.A O no hydrogen 2.816 N/A GLU 131.A N ARG 127.A O no hydrogen 2.949 N/A GLU 131.A N TYR 128.A O no hydrogen 3.289 N/A ALA 133.A N LEU 129.A O no hydrogen 3.183 N/A ARG 138.A N THR 134.A O no hydrogen 3.338 N/A ARG 138.A NH2 GLU 180.A O no hydrogen 3.462 N/A ARG 138.A NH2 ILE 181.A O no hydrogen 3.357 N/A LYS 139.A N GLY 135.A O no hydrogen 3.176 N/A GLU 140.A N ASN 136.A O no hydrogen 2.818 N/A ALA 141.A N ASP 137.A O no hydrogen 2.942 N/A ALA 142.A N ARG 138.A O no hydrogen 2.841 N/A GLU 143.A N LYS 139.A O no hydrogen 2.852 N/A ASN 144.A N GLU 140.A O no hydrogen 2.882 N/A SER 145.A N ALA 141.A O no hydrogen 2.792 N/A SER 145.A OG GLY 123.A O no hydrogen 2.831 N/A LEU 146.A N ALA 142.A O no hydrogen 2.896 N/A VAL 147.A N GLU 143.A O no hydrogen 2.953 N/A ALA 148.A N ASN 144.A O no hydrogen 3.102 N/A TYR 149.A N SER 145.A O no hydrogen 2.827 N/A TYR 149.A OH ASP 124.A OD1 no hydrogen 2.469 N/A LYS 150.A N LEU 146.A O no hydrogen 2.795 N/A ALA 151.A N VAL 147.A O no hydrogen 2.907 N/A ALA 152.A N ALA 148.A O no hydrogen 2.859 N/A SER 153.A N TYR 149.A O no hydrogen 2.804 N/A SER 153.A OG TYR 149.A O no hydrogen 2.827 N/A ASP 154.A N.A LYS 150.A O no hydrogen 2.824 N/A ASP 154.A N.B LYS 150.A O no hydrogen 2.832 N/A ILE 155.A N ALA 151.A O no hydrogen 3.267 N/A ALA 156.A N ALA 152.A O no hydrogen 2.867 N/A MET 157.A N SER 153.A O no hydrogen 2.770 N/A THR 158.A N ASP 154.A O.A no hydrogen 3.381 N/A THR 158.A N ILE 155.A O no hydrogen 3.146 N/A THR 158.A OG1 ASP 154.A O.A no hydrogen 3.347 N/A THR 158.A OG1 ASP 154.A O.B no hydrogen 3.345 N/A THR 158.A OG1 ILE 155.A O no hydrogen 3.211 N/A THR 158.A OG1 GLU 159.A OE1.B no hydrogen 2.609 N/A GLU 159.A N ILE 155.A O no hydrogen 2.705 N/A LEU 160.A N ALA 156.A O no hydrogen 2.974 N/A THR 163.A OG1 THR 205.A OG1 no hydrogen 2.648 N/A HIS 164.A N PRO 161.A O no hydrogen 2.926 N/A HIS 164.A NE2 GLU 113.A OE2 no hydrogen 3.076 N/A ILE 166.A N HIS 164.A ND1 no hydrogen 2.985 N/A ARG 167.A NH1 LEU 160.A O no hydrogen 2.713 N/A LEU 168.A N HIS 164.A O no hydrogen 2.820 N/A GLY 169.A N PRO 165.A O no hydrogen 2.782 N/A LEU 170.A N ILE 166.A O no hydrogen 2.732 N/A ALA 171.A N ARG 167.A O no hydrogen 2.937 N/A LEU 172.A N LEU 168.A O no hydrogen 2.769 N/A ASN 173.A N GLY 169.A O no hydrogen 2.941 N/A ASN 173.A ND2 ASP 124.A OD1 no hydrogen 2.944 N/A ASN 173.A ND2 ASP 124.A OD2 no hydrogen 3.320 N/A PHE 174.A N LEU 170.A O no hydrogen 2.787 N/A SER 175.A N ALA 171.A O no hydrogen 2.891 N/A SER 175.A OG.A ALA 171.A O no hydrogen 3.307 N/A SER 175.A OG.A LEU 172.A O no hydrogen 2.837 N/A SER 175.A OG.B ALA 171.A O no hydrogen 2.681 N/A SER 175.A OG.B ALA 188.A O no hydrogen 3.537 N/A VAL 176.A N LEU 172.A O no hydrogen 2.999 N/A PHE 177.A N ASN 173.A O no hydrogen 2.950 N/A TYR 178.A N PHE 174.A O no hydrogen 2.944 N/A TYR 179.A N SER 175.A O no hydrogen 2.947 N/A GLU 180.A N VAL 176.A O no hydrogen 2.600 N/A ILE 181.A N PHE 177.A O no hydrogen 2.791 N/A LEU 182.A N PHE 177.A O no hydrogen 3.097 N/A SER 184.A N.A TYR 178.A O no hydrogen 2.714 N/A SER 184.A N.B TYR 178.A O no hydrogen 2.807 N/A SER 184.A OG.A LEU 182.A O no hydrogen 3.201 N/A ARG 187.A N SER 184.A OG.B no hydrogen 3.379 N/A ALA 188.A N SER 184.A O.A no hydrogen 2.980 N/A ALA 188.A N SER 184.A O.B no hydrogen 3.057 N/A CYS 189.A N PRO 185.A O no hydrogen 2.897 N/A CYS 189.A SG PRO 185.A O no hydrogen 3.283 N/A ARG 190.A N ASP 186.A O no hydrogen 3.032 N/A ARG 190.A NE ASP 186.A OD2 no hydrogen 3.035 N/A LEU 191.A N ARG 187.A O no hydrogen 2.953 N/A ALA 192.A N ALA 188.A O no hydrogen 2.974 N/A LYS 193.A N CYS 189.A O no hydrogen 2.763 N/A LYS 193.A NZ ASP 197.A OD2 no hydrogen 3.040 N/A ALA 194.A N ARG 190.A O no hydrogen 2.774 N/A ALA 195.A N LEU 191.A O no hydrogen 2.963 N/A PHE 196.A N ALA 192.A O no hydrogen 3.036 N/A ASP 197.A N LYS 193.A O no hydrogen 2.845 N/A ASP 198.A N ALA 194.A O no hydrogen 2.881 N/A ALA 199.A N ALA 195.A O no hydrogen 3.171 N/A ILE 200.A N PHE 196.A O no hydrogen 2.925 N/A ALA 201.A N ASP 197.A O no hydrogen 2.836 N/A GLU 202.A N ALA 199.A O no hydrogen 2.898 N/A THR 205.A N GLU 202.A O no hydrogen 2.727 N/A THR 205.A OG1 THR 163.A OG1 no hydrogen 2.648 N/A THR 205.A OG1 GLU 202.A O no hydrogen 2.642 N/A LEU 206.A N LEU 203.A O no hydrogen 2.997 N/A GLU 208.A N GLU 208.A OE1 no hydrogen 2.666 N/A GLU 209.A N SER 207.A OG no hydrogen 2.992 N/A SER 210.A N SER 207.A O no hydrogen 3.038 N/A TYR 211.A N SER 207.A O no hydrogen 2.806 N/A SER 214.A N SER 210.A O no hydrogen 2.786 N/A SER 214.A OG THR 163.A O no hydrogen 2.632 N/A SER 214.A OG SER 210.A O no hydrogen 3.260 N/A THR 215.A N TYR 211.A O no hydrogen 3.011 N/A THR 215.A OG1 TYR 211.A O no hydrogen 3.007 N/A LEU 216.A N LYS 212.A O no hydrogen 3.004 N/A ILE 217.A N ASP 213.A O no hydrogen 3.042 N/A MET 218.A N SER 214.A O no hydrogen 2.898 N/A GLN 219.A N THR 215.A O no hydrogen 2.958 N/A GLN 219.A NE2 ASP 223.A OD1 no hydrogen 2.777 N/A LEU 220.A N LEU 216.A O no hydrogen 3.003 N/A LEU 221.A N ILE 217.A O no hydrogen 2.810 N/A ARG 222.A N MET 218.A O no hydrogen 2.970 N/A ASP 223.A N GLN 219.A O no hydrogen 2.746 N/A ASN 224.A N LEU 220.A O no hydrogen 2.811 N/A LEU 225.A N LEU 221.A O no hydrogen 3.084 N/A THR 226.A N ARG 222.A O no hydrogen 2.990 N/A THR 226.A OG1 ARG 222.A O no hydrogen 3.150 N/A LEU 227.A N ASP 223.A O no hydrogen 2.834 N/A TRP 228.A N ASN 224.A O no hydrogen 2.721 N/A THR 229.A N LEU 225.A O no hydrogen 3.020 N/A THR 229.A N THR 226.A O no hydrogen 3.296 N/A THR 229.A OG1 LEU 225.A O no hydrogen 2.661 N/A