Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6bj8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A ND1 ASP 27.A OD2 no hydrogen 2.650 N/A SER 2.A N ASP 27.A OD1 no hydrogen 2.827 N/A MET 3.A N CYS 99.A O no hydrogen 2.961 N/A ARG 4.A N TYR 25.A O no hydrogen 2.959 N/A ARG 4.A NH1 MET 3.A O no hydrogen 3.089 N/A ARG 4.A NH1 CYS 99.A O no hydrogen 3.226 N/A ARG 4.A NH1 ASP 100.A OD1 no hydrogen 2.944 N/A ARG 4.A NH2 ASP 100.A OD1 no hydrogen 2.706 N/A TYR 5.A N TYR 97.A O no hydrogen 2.953 N/A PHE 6.A N VAL 23.A O no hydrogen 2.831 N/A TYR 7.A N ARG 95.A O no hydrogen 2.793 N/A THR 8.A N ILE 21.A O no hydrogen 2.898 N/A ALA 9.A N ILE 93.A O no hydrogen 2.826 N/A MET 10.A N ARG 19.A O no hydrogen 2.833 N/A SER 11.A N HIS 91.A O no hydrogen 2.859 N/A SER 11.A OG HIS 91.A O no hydrogen 3.406 N/A ARG 12.A NE GLU 17.A O no hydrogen 2.721 N/A ARG 12.A NH1 ASP 37.A OD2 no hydrogen 2.699 N/A ARG 12.A NH2 GLU 17.A O no hydrogen 3.045 N/A ARG 12.A NH2 ASP 37.A OD1 no hydrogen 2.483 N/A ARG 12.A NH2 ASP 37.A OD2 no hydrogen 3.514 N/A ARG 15.A N ARG 12.A O no hydrogen 2.844 N/A GLU 17.A N GLU 17.A OE2 no hydrogen 2.834 N/A ARG 19.A N MET 10.A O no hydrogen 2.870 N/A ARG 19.A NE ASP 35.A OD1 no hydrogen 2.954 N/A ARG 19.A NH2 ASP 35.A OD1 no hydrogen 3.532 N/A ARG 19.A NH2 ASP 35.A OD2 no hydrogen 2.647 N/A PHE 20.A N SER 36.A OG no hydrogen 2.846 N/A ILE 21.A N THR 8.A O no hydrogen 2.855 N/A ALA 22.A N PHE 34.A O no hydrogen 2.899 N/A VAL 23.A N PHE 6.A O no hydrogen 2.980 N/A GLY 24.A N VAL 32.A O no hydrogen 3.194 N/A TYR 25.A N ARG 4.A O no hydrogen 2.780 N/A VAL 26.A N THR 29.A O no hydrogen 3.024 N/A ASP 27.A N SER 2.A O no hydrogen 2.856 N/A THR 29.A N VAL 26.A O no hydrogen 2.882 N/A THR 29.A OG1 TYR 207.A OH no hydrogen 2.711 N/A GLN 30.A NE2 VAL 32.A O no hydrogen 3.132 N/A PHE 31.A N GLY 24.A O no hydrogen 2.877 N/A ARG 33.A N GLU 44.A O no hydrogen 3.024 N/A ARG 33.A NE GLU 44.A OE1 no hydrogen 2.852 N/A ARG 33.A NH2 GLU 44.A OE1 no hydrogen 2.821 N/A PHE 34.A N ALA 22.A O no hydrogen 2.864 N/A SER 36.A N PHE 20.A O no hydrogen 2.922 N/A SER 36.A OG PHE 20.A O no hydrogen 3.499 N/A ASP 37.A N ASP 35.A OD1 no hydrogen 2.901 N/A ALA 38.A N ASP 35.A O no hydrogen 3.189 N/A THR 43.A N THR 62.A OG1 no hydrogen 2.866 N/A THR 43.A OG1 THR 62.A OG1 no hydrogen 3.104 N/A GLU 44.A N ARG 33.A O no hydrogen 2.921 N/A ARG 46.A N PHE 31.A O no hydrogen 2.869 N/A ILE 50.A N ALA 47.A O no hydrogen 3.408 N/A GLU 51.A N PRO 48.A O no hydrogen 2.910 N/A GLN 52.A N TRP 49.A O no hydrogen 3.271 N/A GLN 52.A NE2 ASN 172.A O no hydrogen 3.049 N/A GLU 53.A N ILE 50.A O no hydrogen 3.070 N/A TYR 57.A N GLY 54.A O no hydrogen 2.968 N/A TYR 57.A OH TYR 169.A OH no hydrogen 2.592 N/A ASP 59.A N PRO 55.A O no hydrogen 3.103 N/A ARG 60.A N GLU 56.A O no hydrogen 2.914 N/A ASN 61.A N TYR 57.A O no hydrogen 2.997 N/A ASN 61.A ND2 TYR 57.A O no hydrogen 2.927 N/A THR 62.A N TRP 58.A O no hydrogen 2.911 N/A THR 62.A OG1 THR 43.A OG1 no hydrogen 3.104 N/A THR 62.A OG1 TRP 58.A O no hydrogen 2.822 N/A GLN 63.A N ASP 59.A O no hydrogen 2.893 N/A ILE 64.A N ARG 60.A O no hydrogen 3.078 N/A PHE 65.A N ASN 61.A O no hydrogen 2.946 N/A LYS 66.A N THR 62.A O no hydrogen 2.874 N/A THR 67.A N GLN 63.A O no hydrogen 2.998 N/A THR 67.A OG1 GLN 63.A O no hydrogen 2.882 N/A ASN 68.A N ILE 64.A O no hydrogen 2.861 N/A THR 69.A N PHE 65.A O no hydrogen 2.985 N/A THR 69.A OG1 PHE 65.A O no hydrogen 2.966 N/A GLN 70.A N LYS 66.A O no hydrogen 3.422 N/A THR 71.A N THR 67.A O no hydrogen 2.861 N/A THR 71.A OG1 THR 67.A O no hydrogen 3.383 N/A TYR 72.A N ASN 68.A O no hydrogen 2.784 N/A ARG 73.A N THR 69.A O no hydrogen 3.257 N/A ARG 73.A NH2 GLU 74.A OE1 no hydrogen 2.412 N/A GLU 74.A N GLN 70.A O no hydrogen 3.231 N/A SER 75.A N THR 71.A O no hydrogen 2.868 N/A SER 75.A OG THR 71.A O no hydrogen 3.327 N/A LEU 76.A N TYR 72.A O no hydrogen 2.856 N/A ARG 77.A N ARG 73.A O no hydrogen 3.109 N/A ASN 78.A N GLU 74.A O no hydrogen 2.826 N/A LEU 79.A N SER 75.A O no hydrogen 2.919 N/A ARG 80.A N LEU 76.A O no hydrogen 3.042 N/A GLY 81.A N ARG 77.A O no hydrogen 3.091 N/A TYR 82.A N ASN 78.A O no hydrogen 2.879 N/A TYR 83.A N LEU 79.A O no hydrogen 3.041 N/A TYR 83.A OH ASP 135.A OD1 no hydrogen 3.362 N/A TYR 83.A OH ASP 135.A OD2 no hydrogen 2.620 N/A ASN 84.A N GLY 81.A O no hydrogen 3.154 N/A GLN 85.A N ARG 80.A O no hydrogen 2.891 N/A ALA 88.A N SER 86.A OG no hydrogen 2.813 N/A HIS 91.A N SER 11.A OG no hydrogen 2.874 N/A HIS 91.A ND1 ASP 117.A OD2 no hydrogen 2.667 N/A ILE 92.A N ASP 117.A OD1 no hydrogen 2.951 N/A ILE 93.A N ALA 9.A O no hydrogen 2.878 N/A GLN 94.A N ALA 115.A O no hydrogen 2.973 N/A ARG 95.A N TYR 7.A O no hydrogen 2.973 N/A ARG 95.A NE ASP 112.A OD1 no hydrogen 2.824 N/A ARG 95.A NH2 ASP 112.A OD1 no hydrogen 3.435 N/A ARG 95.A NH2 ASP 112.A OD2 no hydrogen 2.909 N/A MET 96.A N GLN 113.A O no hydrogen 2.994 N/A TYR 97.A N TYR 5.A O no hydrogen 3.165 N/A TYR 97.A OH TYR 7.A OH no hydrogen 2.750 N/A GLY 98.A N HIS 111.A O no hydrogen 2.944 N/A CYS 99.A N MET 3.A O no hydrogen 3.065 N/A ASP 100.A N ARG 109.A O no hydrogen 2.866 N/A LEU 101.A N HIS 1.A O no hydrogen 2.771 N/A GLY 102.A N ARG 106.A O no hydrogen 2.788 N/A GLY 105.A N GLY 102.A O no hydrogen 2.904 N/A ARG 106.A N ASP 104.A OD1 no hydrogen 2.844 N/A LEU 108.A N ASP 100.A O no hydrogen 2.791 N/A HIS 111.A N GLY 98.A O no hydrogen 2.904 N/A HIS 111.A NE2 ASP 100.A OD2 no hydrogen 2.755 N/A GLN 113.A N MET 96.A O no hydrogen 2.987 N/A SER 114.A N ILE 122.A O no hydrogen 2.809 N/A ALA 115.A N GLN 94.A O no hydrogen 2.801 N/A TYR 116.A N LYS 119.A O no hydrogen 2.961 N/A TYR 116.A OH GLN 85.A OE1 no hydrogen 2.593 N/A ASP 117.A N ILE 92.A O no hydrogen 2.777 N/A LYS 119.A N TYR 116.A O no hydrogen 3.136 N/A TYR 121.A N SER 114.A O no hydrogen 3.011 N/A TYR 121.A OH THR 141.A OG1 no hydrogen 2.795 N/A ILE 122.A N SER 114.A O no hydrogen 3.277 N/A ALA 123.A N THR 132.A O no hydrogen 3.042 N/A LEU 124.A N ASP 112.A O no hydrogen 2.820 N/A ASN 125.A N SER 130.A O no hydrogen 2.833 N/A ASN 125.A ND2 SER 130.A OG no hydrogen 2.919 N/A LEU 128.A N ASN 125.A O no hydrogen 2.830 N/A SER 129.A N ASP 127.A OD1 no hydrogen 2.959 N/A SER 129.A OG ASP 127.A O no hydrogen 2.967 N/A SER 130.A OG ASP 127.A OD1 no hydrogen 2.990 N/A SER 130.A OG ASP 127.A OD2 no hydrogen 3.396 N/A THR 132.A N ALA 123.A O no hydrogen 2.823 N/A THR 132.A OG1 ASN 125.A OD1 no hydrogen 2.634 N/A ALA 134.A N TYR 121.A O no hydrogen 2.935 N/A ALA 138.A N ASP 135.A OD1 no hydrogen 2.880 N/A GLN 139.A N ASP 135.A O no hydrogen 3.186 N/A GLN 139.A N THR 136.A O no hydrogen 3.049 N/A ILE 140.A N ALA 137.A O no hydrogen 2.857 N/A THR 141.A OG1 TYR 121.A OH no hydrogen 2.795 N/A GLN 142.A N ALA 138.A O no hydrogen 2.857 N/A GLN 142.A NE2 GLU 146.A OE2 no hydrogen 3.039 N/A ARG 143.A N GLN 139.A O no hydrogen 2.999 N/A LYS 144.A N ILE 140.A O no hydrogen 3.070 N/A LYS 144.A NZ TYR 82.A OH no hydrogen 3.064 N/A TRP 145.A N THR 141.A O no hydrogen 2.771 N/A GLU 146.A N GLN 142.A O no hydrogen 2.767 N/A ALA 147.A N ARG 143.A O no hydrogen 3.071 N/A ALA 148.A N LYS 144.A O no hydrogen 2.937 N/A ARG 149.A N GLU 146.A O no hydrogen 3.265 N/A VAL 150.A N TRP 145.A O no hydrogen 3.072 N/A GLN 153.A N ARG 149.A O no hydrogen 3.232 N/A LEU 154.A N VAL 150.A O no hydrogen 2.902 N/A ARG 155.A N ALA 151.A O no hydrogen 2.782 N/A ARG 155.A NH1 LEU 128.A O no hydrogen 2.930 N/A ALA 156.A N GLU 152.A O no hydrogen 3.042 N/A TYR 157.A N GLN 153.A O no hydrogen 3.061 N/A LEU 158.A N LEU 154.A O no hydrogen 2.780 N/A GLU 159.A N ARG 155.A O no hydrogen 2.917 N/A GLY 160.A N TYR 157.A O no hydrogen 3.205 N/A CYS 162.A N TYR 157.A O no hydrogen 2.806 N/A GLU 164.A N GLY 160.A O no hydrogen 2.854 N/A TRP 165.A N LEU 161.A O no hydrogen 2.962 N/A LEU 166.A N CYS 162.A O no hydrogen 2.917 N/A ARG 167.A N VAL 163.A O no hydrogen 3.029 N/A ARG 167.A NH1 GLY 105.A O no hydrogen 2.841 N/A ARG 168.A N GLU 164.A O no hydrogen 3.154 N/A ARG 168.A NE GLU 53.A OE1 no hydrogen 3.344 N/A ARG 168.A NE GLU 53.A OE2 no hydrogen 2.825 N/A ARG 168.A NH2 GLU 53.A OE1 no hydrogen 2.805 N/A TYR 169.A N TRP 165.A O no hydrogen 2.854 N/A LEU 170.A N LEU 166.A O no hydrogen 2.930 N/A GLU 171.A N ARG 167.A O no hydrogen 3.065 N/A ASN 172.A N ARG 168.A O no hydrogen 2.841 N/A GLY 173.A N TYR 169.A O no hydrogen 2.732 N/A LYS 174.A N GLU 171.A O no hydrogen 3.224 N/A THR 176.A N GLY 173.A O no hydrogen 3.014 N/A THR 176.A OG1 GLY 173.A O no hydrogen 3.213 N/A LEU 177.A N GLY 173.A O no hydrogen 2.723 N/A GLN 178.A N LYS 174.A O no hydrogen 2.974 N/A GLN 178.A NE2 LEU 170.A O no hydrogen 2.890 N/A ARG 179.A NH1 ASP 181.A OD2.B no hydrogen 2.872 N/A ASP 181.A N TYR 207.A O no hydrogen 2.729 N/A LYS 184.A N LEU 204.A O no hydrogen 2.785 N/A LYS 184.A NZ PRO 182.A O no hydrogen 2.766 N/A LYS 184.A NZ GLY 205.A O no hydrogen 3.027 N/A HIS 186.A N TRP 202.A O no hydrogen 3.404 N/A THR 188.A N ARG 200.A O no hydrogen 2.942 N/A HIS 189.A NE2 GLU 252.A OE2 no hydrogen 2.753 N/A HIS 190.A N THR 198.A O no hydrogen 2.946 N/A VAL 192.A N GLU 196.A O no hydrogen 2.956 N/A SER 193.A N GLU 196.A O no hydrogen 3.183 N/A ALA 197.A N VAL 247.A O no hydrogen 2.910 N/A THR 198.A N HIS 190.A O no hydrogen 2.759 N/A LEU 199.A N VAL 245.A O no hydrogen 2.914 N/A ARG 200.A N THR 188.A O no hydrogen 2.978 N/A CYS 201.A N ALA 243.A O no hydrogen 2.736 N/A TRP 202.A N HIS 186.A O no hydrogen 2.879 N/A ALA 203.A N LYS 241.A O no hydrogen 2.838 N/A LEU 204.A N LYS 184.A O no hydrogen 2.813 N/A PHE 206.A N PHE 239.A O no hydrogen 3.224 N/A TYR 207.A N ASP 181.A O no hydrogen 2.945 N/A TYR 207.A OH THR 29.A OG1 no hydrogen 2.711 N/A ALA 209.A N ASP 28.A OD2 no hydrogen 2.809 N/A THR 212.A N GLN 260.A O no hydrogen 3.030 N/A THR 214.A N HIS 258.A O no hydrogen 2.983 N/A THR 214.A OG1 HIS 258.A O no hydrogen 3.547 N/A TRP 215.A NE1 ALA 243.A O no hydrogen 2.989 N/A GLN 216.A N THR 256.A O no hydrogen 2.836 N/A GLN 216.A NE2 ASP 221.A OD1 no hydrogen 3.040 N/A ARG 217.A N GLU 220.A O no hydrogen 2.927 N/A ARG 217.A NE GLU 251.A OE1 no hydrogen 2.808 N/A ARG 217.A NH2 GLU 251.A OE1 no hydrogen 3.233 N/A ARG 217.A NH2 GLU 251.A OE2 no hydrogen 2.926 N/A ASP 218.A N ARG 254.A O no hydrogen 2.946 N/A GLU 220.A N ARG 217.A O no hydrogen 2.931 N/A GLN 222.A N TRP 215.A O no hydrogen 2.871 N/A GLN 222.A NE2 GLU 220.A O no hydrogen 2.975 N/A ASP 225.A N GLN 222.A O no hydrogen 3.069 N/A THR 226.A N THR 223.A O no hydrogen 3.226 N/A THR 226.A OG1 GLN 222.A O no hydrogen 2.643 N/A GLU 227.A N ALA 244.A O no hydrogen 2.756 N/A VAL 229.A N TRP 242.A O no hydrogen 3.295 N/A ARG 232.A N GLN 240.A O no hydrogen 2.948 N/A ARG 232.A NE GLN 240.A OE1 no hydrogen 2.863 N/A ARG 232.A NH2 GLN 240.A OE1 no hydrogen 3.029 N/A ALA 234.A N THR 238.A O no hydrogen 2.918 N/A ARG 237.A NH1 ARG 46.A O no hydrogen 2.873 N/A THR 238.A N ASP 236.A OD1 no hydrogen 3.027 N/A THR 238.A OG1 ASP 236.A OD1 no hydrogen 2.627 N/A PHE 239.A N PHE 206.A O no hydrogen 2.886 N/A GLN 240.A N ARG 232.A O no hydrogen 2.855 N/A LYS 241.A N ALA 203.A O no hydrogen 2.928 N/A LYS 241.A NZ VAL 229.A O no hydrogen 2.681 N/A LYS 241.A NZ THR 231.A OG1 no hydrogen 3.007 N/A ALA 243.A N CYS 201.A O no hydrogen 2.971 N/A ALA 244.A N GLU 227.A O no hydrogen 2.774 N/A VAL 245.A N LEU 199.A O no hydrogen 2.986 N/A VAL 247.A N ALA 197.A O no hydrogen 2.757 N/A SER 249.A N HIS 195.A O no hydrogen 2.878 N/A GLY 250.A N GLU 252.A OE1 no hydrogen 2.878 N/A GLU 251.A N PRO 248.A O no hydrogen 2.984 N/A GLU 252.A N GLU 252.A OE1 no hydrogen 2.853 N/A GLN 253.A N GLN 253.A OE1 no hydrogen 2.726 N/A GLN 253.A NE2 GLY 250.A O no hydrogen 2.953 N/A ARG 254.A N GLU 251.A O no hydrogen 2.809 N/A ARG 254.A NH1 ASP 218.A OD1 no hydrogen 3.170 N/A TYR 255.A N GLU 252.A O no hydrogen 2.994 N/A THR 256.A N GLN 216.A O no hydrogen 2.977 N/A THR 256.A OG1 HIS 258.A NE2 no hydrogen 2.828 N/A CYS 257.A N LEU 270.A O no hydrogen 2.778 N/A CYS 257.A SG THR 214.A O no hydrogen 3.910 N/A HIS 258.A N THR 214.A O no hydrogen 2.742 N/A HIS 258.A NE2 THR 256.A OG1 no hydrogen 2.828 N/A VAL 259.A N LEU 268.A O no hydrogen 3.025 N/A GLN 260.A N THR 212.A O no hydrogen 2.937 N/A HIS 261.A NE2 PRO 208.A O no hydrogen 2.899 N/A GLY 263.A N HIS 261.A ND1 no hydrogen 2.936 N/A LEU 264.A N HIS 261.A O no hydrogen 2.998 N/A LEU 268.A N VAL 259.A O no hydrogen 2.958 N/A LEU 270.A N CYS 257.A O no hydrogen 2.728 N/A