Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4dkn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N SER 105.A O no hydrogen 2.830 N/A THR 5.A N SER 105.A O no hydrogen 3.336 N/A THR 5.A OG1 HIS 106.A ND1 no hydrogen 2.788 N/A HIS 6.A N GLY 25.A O no hydrogen 2.960 N/A HIS 6.A ND1 TYR 60.A OH no hydrogen 2.731 N/A HIS 6.A NE2 THR 36.A OG1 no hydrogen 2.862 N/A ASP 7.A N ILE 107.A O no hydrogen 2.850 N/A ILE 8.A N GLY 23.A O no hydrogen 2.799 N/A HIS 9.A N ALA 109.A O no hydrogen 3.028 N/A HIS 9.A NE2 ASP 20.A OD1 no hydrogen 2.657 N/A LEU 10.A N MET 21.A O no hydrogen 2.850 N/A HIS 11.A N MET 111.A O no hydrogen 2.938 N/A HIS 11.A NE2 ASP 110.A OD1 no hydrogen 2.706 N/A GLY 12.A N PHE 19.A O no hydrogen 3.324 N/A SER 13.A N LEU 113.A O no hydrogen 3.125 N/A ILE 14.A N HIS 17.A O no hydrogen 2.977 N/A ASN 15.A N GLY 115.A O no hydrogen 2.776 N/A ASN 15.A ND2 PHE 118.A O no hydrogen 2.830 N/A HIS 17.A N ILE 14.A O no hydrogen 3.065 N/A PHE 19.A N GLY 12.A O no hydrogen 2.941 N/A MET 21.A N LEU 10.A O no hydrogen 2.798 N/A VAL 22.A N LYS 39.A O no hydrogen 2.896 N/A GLY 23.A N ILE 8.A O no hydrogen 3.062 N/A GLY 24.A N THR 37.A O no hydrogen 2.896 N/A GLY 25.A N HIS 6.A O no hydrogen 2.827 N/A LYS 26.A N VAL 35.A O no hydrogen 3.164 N/A GLY 27.A N ALA 4.A O no hydrogen 3.189 N/A ASP 28.A N SER 33.A O no hydrogen 2.845 N/A ASN 30.A N ASP 28.A OD1 no hydrogen 2.873 N/A ALA 31.A N ASP 28.A O no hydrogen 3.097 N/A ALA 31.A N ASP 28.A OD1 no hydrogen 3.312 N/A GLY 32.A N ASP 28.A O no hydrogen 2.872 N/A LEU 34.A N GLU 200.A O no hydrogen 3.075 N/A VAL 35.A N LYS 26.A O no hydrogen 2.818 N/A THR 36.A N LEU 198.A O no hydrogen 2.911 N/A THR 36.A OG1 HIS 6.A NE2 no hydrogen 2.862 N/A THR 36.A OG1 LEU 56.A O no hydrogen 2.883 N/A THR 37.A N GLY 24.A O no hydrogen 2.905 N/A THR 37.A OG1 THR 197.A OG1 no hydrogen 2.976 N/A ALA 38.A N VAL 196.A O no hydrogen 2.912 N/A LYS 39.A N VAL 22.A O no hydrogen 2.799 N/A SER 40.A N THR 194.A O no hydrogen 2.708 N/A SER 40.A OG GLY 43.A O no hydrogen 2.584 N/A THR 41.A N ASP 20.A O no hydrogen 2.920 N/A THR 41.A OG1 ASP 20.A O no hydrogen 3.325 N/A THR 41.A OG1 ASP 20.A OD2 no hydrogen 2.672 N/A LYS 42.A N SER 40.A OG no hydrogen 3.091 N/A LEU 45.A N LYS 193.A O no hydrogen 2.785 N/A SER 48.A N VAL 124.A O no hydrogen 2.748 N/A TYR 50.A N SER 48.A OG no hydrogen 3.097 N/A LEU 51.A N SER 48.A O no hydrogen 2.939 N/A MET 52.A N PRO 49.A O no hydrogen 3.075 N/A ILE 53.A N TYR 50.A O no hydrogen 2.943 N/A LEU 56.A N MET 52.A O no hydrogen 3.243 N/A TYR 57.A OH ASP 7.A O no hydrogen 2.839 N/A GLN 59.A N GLN 59.A OE1 no hydrogen 2.783 N/A GLN 59.A NE2 TYR 102.A OH no hydrogen 3.003 N/A TYR 60.A N TYR 57.A O no hydrogen 3.330 N/A TYR 60.A OH HIS 6.A ND1 no hydrogen 2.731 N/A LEU 61.A N TYR 58.A O no hydrogen 2.959 N/A TYR 63.A N GLY 66.A O no hydrogen 2.709 N/A GLY 66.A N TYR 63.A O no hydrogen 3.486 N/A SER 68.A N GLN 71.A OE1 no hydrogen 3.336 N/A SER 68.A OG LEU 61.A O no hydrogen 2.575 N/A GLN 71.A N SER 68.A OG no hydrogen 3.310 N/A GLN 71.A NE2 PRO 29.A O no hydrogen 2.988 N/A GLN 71.A NE2 GLN 59.A O no hydrogen 3.089 N/A VAL 72.A N SER 68.A O no hydrogen 2.897 N/A SER 73.A N PRO 69.A O no hydrogen 2.891 N/A MET 74.A N PHE 70.A O no hydrogen 3.359 N/A LEU 75.A N GLN 71.A O no hydrogen 2.866 N/A GLU 76.A N VAL 72.A O no hydrogen 2.958 N/A GLY 77.A N MET 74.A O no hydrogen 3.070 N/A SER 78.A N SER 73.A O no hydrogen 2.907 N/A ALA 81.A N ILE 172.A O no hydrogen 2.879 N/A VAL 82.A N PHE 98.A O no hydrogen 3.047 N/A TYR 83.A N HIS 170.A O no hydrogen 2.914 N/A ARG 84.A N THR 96.A O no hydrogen 3.116 N/A ARG 84.A NE SER 169.A OG no hydrogen 2.750 N/A ARG 84.A NH2 TYR 171.A OH no hydrogen 2.942 N/A VAL 85.A N SER 168.A O no hydrogen 3.076 N/A PHE 86.A N LEU 94.A O no hydrogen 2.771 N/A ASP 87.A N ARG 166.A O no hydrogen 2.848 N/A PHE 88.A N GLY 92.A O no hydrogen 2.985 N/A GLU 89.A N ARG 164.A O no hydrogen 2.904 N/A GLY 91.A N PHE 88.A O no hydrogen 3.130 N/A GLY 92.A N ASP 90.A OD1 no hydrogen 3.515 N/A LYS 93.A N SER 116.A O no hydrogen 2.853 N/A LYS 93.A NZ GLY 91.A O no hydrogen 3.423 N/A LEU 94.A N PHE 86.A O no hydrogen 3.075 N/A SER 95.A N MET 114.A O no hydrogen 2.906 N/A THR 96.A N ARG 84.A O no hydrogen 2.887 N/A GLU 97.A N LYS 112.A O no hydrogen 2.930 N/A PHE 98.A N VAL 82.A O no hydrogen 2.819 N/A LYS 99.A N ASP 110.A O no hydrogen 2.992 N/A SER 101.A N LYS 108.A O no hydrogen 3.003 N/A GLU 103.A N HIS 106.A O no hydrogen 2.980 N/A HIS 106.A N GLU 103.A O no hydrogen 2.979 N/A HIS 106.A ND1 THR 5.A OG1 no hydrogen 2.788 N/A HIS 106.A NE2 ASP 7.A OD2 no hydrogen 2.825 N/A ILE 107.A N THR 5.A O no hydrogen 2.964 N/A LYS 108.A N SER 101.A O no hydrogen 2.918 N/A LYS 108.A NZ ASP 7.A OD2 no hydrogen 2.776 N/A ALA 109.A N ASP 7.A O no hydrogen 3.050 N/A ASP 110.A N LYS 99.A O no hydrogen 2.881 N/A MET 111.A N HIS 9.A O no hydrogen 2.805 N/A LYS 112.A N GLU 97.A O no hydrogen 2.899 N/A LYS 112.A NZ GLU 97.A OE1 no hydrogen 3.488 N/A LEU 113.A N HIS 11.A O no hydrogen 2.915 N/A MET 114.A N SER 95.A O no hydrogen 2.936 N/A GLY 115.A N SER 13.A O no hydrogen 2.869 N/A SER 116.A N LYS 93.A O no hydrogen 2.937 N/A PHE 118.A N ASN 15.A OD1 no hydrogen 3.145 N/A GLY 122.A N PRO 119.A O no hydrogen 2.860 N/A THR 126.A N GLY 122.A O no hydrogen 3.062 N/A THR 126.A OG1 GLY 122.A O no hydrogen 2.662 N/A SER 127.A N VAL 124.A O no hydrogen 3.311 N/A GLN 128.A N PRO 123.A O no hydrogen 2.881 N/A GLN 128.A NE2 THR 126.A OG1 no hydrogen 2.927 N/A VAL 130.A N ASN 156.A O no hydrogen 2.900 N/A GLN 132.A N ASP 131.A OD1 no hydrogen 2.804 N/A GLN 132.A NE2 CYS 187.A O no hydrogen 3.003 N/A ASP 133.A N SER 154.A O no hydrogen 2.955 N/A CYS 135.A N ARG 185.A O no hydrogen 2.841 N/A SER 137.A N VAL 183.A O no hydrogen 2.944 N/A LYS 138.A N SER 150.A O no hydrogen 3.047 N/A LYS 139.A N VAL 181.A O no hydrogen 2.830 N/A THR 140.A N VAL 148.A O no hydrogen 2.866 N/A TYR 141.A N GLN 179.A OE1 no hydrogen 2.873 N/A LEU 142.A N THR 146.A O no hydrogen 2.885 N/A THR 146.A N LEU 142.A O no hydrogen 3.205 N/A ILE 147.A N TYR 171.A O no hydrogen 2.992 N/A VAL 148.A N THR 140.A O no hydrogen 2.817 N/A ASP 149.A N SER 169.A O no hydrogen 2.897 N/A SER 150.A N LYS 138.A O no hydrogen 3.233 N/A PHE 151.A N VAL 167.A O no hydrogen 3.141 N/A TRP 153.A N ALA 165.A O no hydrogen 2.922 N/A SER 154.A OG ASP 133.A OD2 no hydrogen 2.599 N/A TYR 155.A N TYR 163.A O no hydrogen 2.864 N/A TYR 155.A OH TYR 50.A O no hydrogen 2.911 N/A TYR 155.A OH ILE 53.A O no hydrogen 2.691 N/A ASN 156.A N ASP 131.A O no hydrogen 2.790 N/A LEU 157.A N LYS 161.A O no hydrogen 2.804 N/A GLN 158.A N GLN 128.A O no hydrogen 2.828 N/A GLY 160.A N LEU 157.A O no hydrogen 2.883 N/A LYS 161.A N ASN 159.A OD1 no hydrogen 2.884 N/A ARG 162.A NE ASP 133.A OD2 no hydrogen 2.672 N/A ARG 162.A NH2 ASP 133.A OD1 no hydrogen 3.022 N/A TYR 163.A N TYR 155.A O no hydrogen 2.921 N/A TYR 163.A OH ASP 90.A OD1 no hydrogen 2.615 N/A ARG 164.A N GLU 89.A OE1 no hydrogen 2.764 N/A ARG 164.A NH1 GLU 89.A OE1 no hydrogen 2.958 N/A ALA 165.A N TRP 153.A O no hydrogen 2.955 N/A ARG 166.A N ASP 87.A O no hydrogen 2.876 N/A ARG 166.A NH1 ASP 152.A OD1 no hydrogen 3.207 N/A VAL 167.A N PHE 151.A O no hydrogen 2.904 N/A SER 168.A N VAL 85.A O no hydrogen 3.109 N/A SER 169.A N ASP 149.A O no hydrogen 2.912 N/A SER 169.A OG ASP 149.A OD1 no hydrogen 2.692 N/A SER 169.A OG ASP 149.A OD2 no hydrogen 3.570 N/A SER 169.A OG TYR 171.A OH no hydrogen 3.407 N/A HIS 170.A N TYR 83.A O no hydrogen 2.800 N/A TYR 171.A N ILE 147.A O no hydrogen 2.812 N/A TYR 171.A OH ASP 149.A OD2 no hydrogen 2.610 N/A ILE 172.A N ALA 81.A O no hydrogen 2.928 N/A PHE 173.A N ASN 145.A O no hydrogen 2.781 N/A ASP 174.A N GLY 79.A O no hydrogen 2.991 N/A LYS 175.A NZ GLU 76.A OE1 no hydrogen 2.889 N/A PHE 177.A N ASN 144.A O no hydrogen 2.918 N/A VAL 181.A N LYS 139.A O no hydrogen 2.918 N/A PHE 182.A N PHE 205.A O no hydrogen 2.878 N/A VAL 183.A N SER 137.A O no hydrogen 2.992 N/A TYR 184.A N LYS 203.A O no hydrogen 2.877 N/A ARG 185.A N CYS 135.A O no hydrogen 2.794 N/A ARG 185.A NE GLU 202.A OE1 no hydrogen 2.838 N/A LYS 186.A N ARG 201.A O no hydrogen 3.044 N/A LYS 186.A NZ GLN 132.A O no hydrogen 2.846 N/A HIS 188.A N ASP 199.A O no hydrogen 2.858 N/A LYS 190.A N THR 197.A O no hydrogen 3.023 N/A THR 192.A N GLU 195.A O no hydrogen 2.840 N/A THR 192.A OG1 THR 194.A OG1 no hydrogen 3.402 N/A THR 192.A OG1 GLU 195.A O no hydrogen 3.346 N/A THR 194.A N THR 192.A OG1 no hydrogen 3.127 N/A THR 194.A OG1 THR 192.A OG1 no hydrogen 3.402 N/A GLU 195.A N THR 192.A OG1 no hydrogen 2.957 N/A VAL 196.A N ALA 38.A O no hydrogen 2.906 N/A THR 197.A N LYS 190.A O no hydrogen 2.831 N/A THR 197.A OG1 THR 37.A OG1 no hydrogen 2.976 N/A LEU 198.A N THR 36.A O no hydrogen 2.787 N/A ASP 199.A N HIS 188.A O no hydrogen 2.841 N/A GLU 200.A N LEU 34.A O no hydrogen 2.858 N/A ARG 201.A N LYS 186.A O no hydrogen 3.041 N/A ARG 201.A NE ASP 199.A OD1 no hydrogen 2.873 N/A ARG 201.A NH2 ASP 199.A OD2 no hydrogen 3.023 N/A LYS 203.A N TYR 184.A O no hydrogen 2.881 N/A PHE 205.A N PHE 182.A O no hydrogen 2.782 N/A TYR 206.A OH ASP 65.A OD1 no hydrogen 2.680 N/A