Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dkr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 7.A N VAL 45.A O no hydrogen 3.084 N/A TYR 9.A N VAL 43.A O no hydrogen 2.815 N/A GLY 11.A N TYR 83.A OH no hydrogen 2.854 N/A THR 12.A OG1 ASP 13.A OD1 no hydrogen 3.397 N/A THR 14.A OG1 ASP 13.A OD2 no hydrogen 2.642 N/A GLY 15.A N LYS 85.A O no hydrogen 2.915 N/A VAL 16.A N GLY 42.A O no hydrogen 2.836 N/A VAL 17.A N PHE 87.A O no hydrogen 2.856 N/A LEU 18.A N TYR 44.A O no hydrogen 3.010 N/A LEU 19.A N PHE 89.A O no hydrogen 2.847 N/A HIS 20.A ND1 ALA 21.A O no hydrogen 2.886 N/A ALA 21.A N ASP 28.A OD2 no hydrogen 2.977 N/A TYR 22.A OH GLN 156.A OE1 no hydrogen 2.653 N/A THR 23.A N HIS 51.A NE2 no hydrogen 3.000 N/A THR 23.A OG1 TYR 22.A O no hydrogen 2.574 N/A GLY 24.A N ALA 21.A O no hydrogen 2.814 N/A SER 25.A N ASP 28.A OD2 no hydrogen 3.176 N/A ASN 27.A N SER 25.A OG no hydrogen 3.016 N/A ASP 28.A N SER 25.A O no hydrogen 2.958 N/A MET 29.A N PRO 26.A O no hydrogen 2.878 N/A ASN 30.A N ASN 27.A O no hydrogen 3.229 N/A ALA 33.A N MET 29.A O no hydrogen 2.794 N/A ARG 34.A N ASN 30.A O no hydrogen 3.073 N/A ARG 34.A NH1 GLN 37.A OE1 no hydrogen 2.829 N/A ALA 35.A N PHE 31.A O no hydrogen 2.908 N/A LEU 36.A N MET 32.A O no hydrogen 2.853 N/A GLN 37.A N ALA 33.A O no hydrogen 2.875 N/A ARG 38.A N ARG 34.A O no hydrogen 2.892 N/A SER 39.A N ALA 35.A O no hydrogen 3.264 N/A SER 39.A N LEU 36.A O no hydrogen 3.047 N/A GLY 40.A N GLN 37.A O no hydrogen 2.901 N/A TYR 41.A N LEU 36.A O no hydrogen 2.991 N/A GLY 42.A N THR 14.A O no hydrogen 2.925 N/A VAL 43.A N TYR 9.A O no hydrogen 2.897 N/A TYR 44.A N VAL 16.A O no hydrogen 2.873 N/A VAL 45.A N PHE 7.A O no hydrogen 2.945 N/A PHE 48.A N HIS 20.A NE2 no hydrogen 3.061 N/A SER 49.A N GLU 71.A OE1 no hydrogen 2.832 N/A SER 49.A OG GLU 71.A OE2 no hydrogen 2.508 N/A HIS 51.A N PHE 48.A O no hydrogen 3.076 N/A HIS 51.A ND1 SER 49.A O no hydrogen 3.257 N/A THR 53.A OG1 ASP 58.A OD2 no hydrogen 2.719 N/A GLU 55.A N THR 53.A OG1 no hydrogen 3.078 N/A LEU 57.A N GLU 55.A OE2 no hydrogen 3.027 N/A ASP 58.A N GLU 55.A O no hydrogen 2.850 N/A ILE 59.A N PRO 56.A O no hydrogen 3.172 N/A LEU 60.A N LEU 57.A O no hydrogen 2.926 N/A THR 61.A N LEU 57.A O no hydrogen 2.852 N/A THR 61.A OG1 LEU 57.A O no hydrogen 3.259 N/A LYS 62.A N ASP 58.A O no hydrogen 2.807 N/A ILE 67.A N ASN 64.A OD1 no hydrogen 2.877 N/A TRP 68.A N ASN 64.A O no hydrogen 2.937 N/A TRP 68.A NE1 SER 49.A O no hydrogen 2.857 N/A TRP 69.A N PRO 65.A O no hydrogen 2.832 N/A ALA 70.A N ASP 66.A O no hydrogen 3.010 N/A GLU 71.A N ILE 67.A O no hydrogen 2.892 N/A SER 72.A N TRP 68.A O no hydrogen 2.891 N/A SER 72.A OG TRP 68.A O no hydrogen 2.834 N/A SER 73.A N TRP 69.A O no hydrogen 2.906 N/A SER 73.A OG.A TRP 69.A O no hydrogen 2.933 N/A SER 73.A OG.B TRP 69.A O no hydrogen 3.213 N/A SER 73.A OG.B ALA 70.A O no hydrogen 2.854 N/A ALA 74.A N ALA 70.A O no hydrogen 2.939 N/A ALA 75.A N GLU 71.A O no hydrogen 2.995 N/A VAL 76.A N SER 72.A O no hydrogen 2.983 N/A ALA 77.A N SER 73.A O no hydrogen 3.015 N/A HIS 78.A N ALA 74.A O no hydrogen 2.961 N/A HIS 78.A NE2 GLU 8.A OE1 no hydrogen 2.754 N/A HIS 78.A NE2 GLU 8.A OE2 no hydrogen 3.236 N/A MET 79.A N ALA 75.A O no hydrogen 3.362 N/A MET 79.A N VAL 76.A O no hydrogen 3.033 N/A THR 80.A N VAL 76.A O no hydrogen 2.836 N/A THR 80.A OG1 VAL 76.A O no hydrogen 3.349 N/A THR 80.A OG1 ALA 77.A O no hydrogen 3.348 N/A ALA 81.A N ALA 77.A O no hydrogen 3.034 N/A LYS 82.A N MET 79.A O no hydrogen 3.039 N/A LYS 82.A NZ GLU 8.A OE2 no hydrogen 2.723 N/A LYS 82.A NZ GLU 10.A OE1 no hydrogen 3.021 N/A TYR 83.A N MET 79.A O no hydrogen 3.065 N/A LYS 85.A N ASP 13.A O no hydrogen 3.152 N/A PHE 87.A N GLY 15.A O no hydrogen 3.033 N/A VAL 88.A N ALA 110.A O no hydrogen 3.241 N/A PHE 89.A N VAL 17.A O no hydrogen 2.927 N/A GLY 90.A N GLY 112.A O no hydrogen 3.260 N/A LEU 91.A N LEU 19.A O no hydrogen 3.075 N/A SER 92.A OG SER 116.A O no hydrogen 2.672 N/A GLY 94.A N HIS 20.A O no hydrogen 3.057 N/A GLY 95.A N LEU 91.A O no hydrogen 2.639 N/A ILE 96.A N SER 92.A O no hydrogen 3.322 N/A ILE 96.A N LEU 93.A O no hydrogen 3.006 N/A ALA 98.A N GLY 94.A O no hydrogen 2.860 N/A MET 99.A N GLY 95.A O no hydrogen 3.000 N/A LYS 100.A N ILE 96.A O no hydrogen 3.009 N/A ALA 101.A N PHE 97.A O no hydrogen 2.822 N/A LEU 102.A N ALA 98.A O no hydrogen 3.033 N/A GLU 103.A N MET 99.A O no hydrogen 2.988 N/A THR 104.A N LYS 100.A O no hydrogen 2.919 N/A THR 104.A N ALA 101.A O no hydrogen 3.290 N/A THR 104.A OG1 LYS 100.A O no hydrogen 2.819 N/A LEU 105.A N ALA 101.A O no hydrogen 2.908 N/A THR 109.A N VAL 86.A O no hydrogen 2.986 N/A GLY 111.A N PRO 177.A O no hydrogen 3.384 N/A GLY 112.A N VAL 88.A O no hydrogen 2.934 N/A VAL 113.A N PHE 179.A O no hydrogen 2.914 N/A PHE 114.A N GLY 90.A O no hydrogen 2.739 N/A SER 115.A OG SER 92.A OG no hydrogen 3.355 N/A SER 115.A OG GLN 182.A OE1 no hydrogen 3.468 N/A SER 115.A OG ASP 186.A OD2 no hydrogen 3.135 N/A SER 116.A N GLN 182.A OE1 no hydrogen 2.839 N/A SER 116.A OG GLN 182.A OE1 no hydrogen 2.701 N/A LYS 122.A N LEU 119.A O no hydrogen 3.126 N/A HIS 123.A NE2 ASP 161.A OD1 no hydrogen 2.692 N/A HIS 124.A N LEU 188.A O no hydrogen 2.790 N/A PHE 129.A N LEU 125.A O no hydrogen 2.856 N/A LEU 130.A N VAL 126.A O no hydrogen 2.955 N/A LYS 131.A N PRO 127.A O no hydrogen 2.913 N/A TYR 132.A N GLY 128.A O no hydrogen 2.883 N/A ALA 133.A N PHE 129.A O no hydrogen 2.899 N/A GLU 134.A N LEU 130.A O no hydrogen 2.994 N/A TYR 135.A N LYS 131.A O no hydrogen 2.909 N/A MET 136.A N TYR 132.A O no hydrogen 2.925 N/A ASN 137.A N ALA 133.A O no hydrogen 2.839 N/A ASN 137.A ND2 GLU 145.A OE1 no hydrogen 2.753 N/A ARG 138.A N GLU 134.A O no hydrogen 2.919 N/A LEU 139.A N TYR 135.A O no hydrogen 3.141 N/A ALA 140.A N MET 136.A O no hydrogen 3.062 N/A GLY 141.A N ARG 138.A O no hydrogen 3.038 N/A LYS 142.A N ASN 137.A O no hydrogen 2.797 N/A SER 146.A N ASP 144.A OD1 no hydrogen 2.843 N/A SER 146.A OG ASP 144.A OD1 no hydrogen 2.653 N/A ILE 149.A N GLU 145.A O no hydrogen 2.930 N/A LEU 150.A N SER 146.A O no hydrogen 2.994 N/A ALA 151.A N THR 147.A O no hydrogen 3.300 N/A ALA 151.A N GLN 148.A O no hydrogen 3.036 N/A TYR 152.A N GLN 148.A O no hydrogen 3.210 N/A TYR 152.A N ILE 149.A O no hydrogen 3.119 N/A LEU 153.A N ILE 149.A O no hydrogen 2.718 N/A GLN 156.A N TYR 152.A O no hydrogen 3.100 N/A GLN 156.A NE2 ILE 59.A O no hydrogen 2.978 N/A LEU 157.A N LEU 153.A O no hydrogen 2.897 N/A ALA 158.A N PRO 154.A O no hydrogen 2.907 N/A ALA 159.A N GLY 155.A O no hydrogen 2.999 N/A ILE 160.A N GLN 156.A O no hydrogen 2.894 N/A ASP 161.A N LEU 157.A O no hydrogen 2.812 N/A GLN 162.A N ALA 158.A O no hydrogen 2.899 N/A PHE 163.A N ALA 159.A O no hydrogen 3.013 N/A ALA 164.A N ILE 160.A O no hydrogen 2.832 N/A THR 165.A N ASP 161.A O no hydrogen 2.841 N/A THR 165.A OG1 GLN 162.A O no hydrogen 2.739 N/A THR 166.A N GLN 162.A O no hydrogen 3.352 N/A VAL 167.A N PHE 163.A O no hydrogen 3.198 N/A ALA 168.A N ALA 164.A O no hydrogen 2.848 N/A ALA 169.A N THR 165.A O no hydrogen 2.982 N/A ASP 170.A N THR 166.A O no hydrogen 3.243 N/A ASP 170.A N VAL 167.A O no hydrogen 3.093 N/A LEU 171.A N ALA 168.A O no hydrogen 3.201 N/A LEU 173.A N ASP 170.A O no hydrogen 2.846 N/A VAL 174.A N LEU 171.A O no hydrogen 3.061 N/A GLN 176.A N GLN 176.A OE1 no hydrogen 2.842 N/A GLN 176.A NE2 LEU 102.A O no hydrogen 3.251 N/A GLN 176.A NE2 ILE 108.A O no hydrogen 3.403 N/A THR 178.A N ARG 206.A O no hydrogen 2.932 N/A THR 178.A OG1 GLN 176.A O no hydrogen 3.155 N/A PHE 179.A N GLY 111.A O no hydrogen 2.852 N/A ILE 180.A N ASP 208.A O no hydrogen 2.879 N/A GLY 181.A N VAL 113.A O no hydrogen 2.872 N/A GLN 182.A N HIS 210.A O no hydrogen 3.055 N/A GLN 182.A NE2 ALA 183.A O no hydrogen 2.975 N/A GLN 182.A NE2 ASP 186.A OD2 no hydrogen 2.973 N/A GLY 184.A N TYR 212.A O no hydrogen 2.805 N/A GLN 185.A N ALA 215.A O no hydrogen 2.898 N/A GLU 187.A N GLU 187.A OE1 no hydrogen 2.629 N/A LEU 188.A N ASP 186.A OD1 no hydrogen 2.796 N/A VAL 189.A N ASP 186.A OD1 no hydrogen 2.974 N/A ASP 190.A N LYS 122.A O no hydrogen 3.030 N/A ARG 192.A N ASP 190.A OD1 no hydrogen 3.043 N/A ARG 192.A NE ASP 190.A OD1 no hydrogen 3.014 N/A ARG 192.A NE ASP 190.A OD2 no hydrogen 3.331 N/A ARG 192.A NH2 ASP 190.A OD2 no hydrogen 2.938 N/A LEU 193.A N ASP 190.A O no hydrogen 2.964 N/A ALA 194.A N GLY 191.A O no hydrogen 2.988 N/A TYR 195.A N ARG 192.A O no hydrogen 3.127 N/A GLN 196.A N ARG 192.A O no hydrogen 3.491 N/A LEU 197.A N LEU 193.A O no hydrogen 2.890 N/A ARG 198.A N ALA 194.A O no hydrogen 2.964 N/A ARG 198.A NE ASP 199.A OD1 no hydrogen 2.887 N/A ARG 198.A NH2 ASP 199.A OD1 no hydrogen 3.115 N/A ASP 199.A N TYR 195.A O no hydrogen 2.903 N/A ALA 200.A N GLN 196.A O no hydrogen 2.980 N/A ALA 200.A N LEU 197.A O no hydrogen 3.089 N/A LEU 201.A N ARG 198.A O no hydrogen 3.334 N/A ASN 203.A ND2 ASN 172.A O no hydrogen 2.803 N/A ALA 204.A N LEU 201.A O no hydrogen 3.339 N/A ALA 205.A N LYS 175.A O no hydrogen 2.825 N/A ARG 206.A NH1 GLU 239.A OE2 no hydrogen 2.896 N/A ARG 206.A NH2 GLU 239.A OE2 no hydrogen 3.200 N/A ASP 208.A N THR 178.A O no hydrogen 2.779 N/A HIS 210.A N ILE 180.A O no hydrogen 2.736 N/A HIS 210.A NE2 ASP 208.A OD2 no hydrogen 3.326 N/A TYR 212.A N GLN 182.A O no hydrogen 2.944 N/A TYR 212.A OH ASP 231.A OD2 no hydrogen 2.609 N/A ASP 214.A N ASP 213.A OD1.A no hydrogen 2.725 N/A ALA 215.A N TYR 212.A O no hydrogen 3.213 N/A HIS 217.A N GLU 187.A OE1 no hydrogen 2.913 N/A HIS 217.A ND1 ASP 186.A OD2 no hydrogen 2.662 N/A ILE 219.A N HIS 217.A O no hydrogen 2.861 N/A THR 220.A OG1 ASP 28.A O no hydrogen 2.815 N/A VAL 221.A N VAL 218.A O no hydrogen 3.025 N/A ASN 222.A N VAL 218.A O no hydrogen 3.089 N/A ASN 222.A ND2 LYS 216.A O no hydrogen 2.871 N/A ALA 224.A N ASN 222.A OD1 no hydrogen 2.971 N/A HIS 225.A N ASN 222.A O no hydrogen 2.923 N/A HIS 225.A ND1 ASN 222.A O no hydrogen 3.127 N/A LEU 228.A N ALA 224.A O no hydrogen 2.973 N/A GLU 229.A N HIS 225.A O no hydrogen 2.940 N/A GLU 230.A N HIS 226.A O no hydrogen 3.021 N/A ASP 231.A N ALA 227.A O no hydrogen 2.933 N/A VAL 232.A N LEU 228.A O no hydrogen 2.809 N/A ILE 233.A N GLU 229.A O no hydrogen 2.957 N/A ALA 234.A N GLU 230.A O no hydrogen 2.912 N/A PHE 235.A N ASP 231.A O no hydrogen 2.960 N/A MET 236.A N VAL 232.A O no hydrogen 2.984 N/A GLN 237.A N ILE 233.A O no hydrogen 2.877 N/A GLN 238.A N ALA 234.A O no hydrogen 3.069 N/A GLU 239.A N MET 236.A O no hydrogen 2.976 N/A ASN 240.A N GLN 237.A O no hydrogen 3.018 N/A ASN 240.A ND2 GLN 237.A OE1 no hydrogen 2.557 N/A