Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4n5e_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N ARG 22.A O no hydrogen 2.950 N/A GLN 4.A NE2 TYR 87.A O no hydrogen 2.921 N/A GLN 4.A NE2 SER 104.A OG no hydrogen 2.886 N/A SER 5.A N SER 20.A O no hydrogen 2.925 N/A ARG 7.A NE GLY 103.A O no hydrogen 2.898 N/A ARG 7.A NH2 GLU 102.A O no hydrogen 3.418 N/A ASN 8.A ND2 GLU 151.A OE2 no hydrogen 3.370 N/A LYS 9.A N LYS 105.A O no hydrogen 2.909 N/A THR 11.A N THR 107.A O no hydrogen 2.886 N/A THR 13.A N LEU 109.A O no hydrogen 3.028 N/A GLY 14.A N ALA 79.A O no hydrogen 2.929 N/A GLY 15.A N VAL 12.A O no hydrogen 2.747 N/A VAL 17.A N LEU 76.A O no hydrogen 2.899 N/A LEU 19.A N LEU 74.A O no hydrogen 2.906 N/A SER 20.A N SER 5.A O no hydrogen 2.874 N/A CYS 21.A N PHE 72.A O no hydrogen 2.912 N/A CYS 21.A SG THR 3.A O no hydrogen 3.572 N/A ARG 22.A N THR 3.A O no hydrogen 2.872 N/A GLN 23.A N GLU 70.A O no hydrogen 2.958 N/A GLN 23.A NE2 HIS 27.A O no hydrogen 2.893 N/A GLN 23.A NE2 GLN 69.A O no hydrogen 2.689 N/A THR 24.A N ALA 1.A O no hydrogen 3.254 N/A THR 24.A OG1 ALA 1.A O no hydrogen 3.374 N/A ASN 25.A ND2 HIS 27.A ND1 no hydrogen 2.868 N/A HIS 27.A N GLN 23.A OE1 no hydrogen 3.124 N/A HIS 27.A ND1 SER 91.A OG no hydrogen 3.138 N/A ASN 28.A N ASP 93.A OD1 no hydrogen 2.988 N/A TYR 29.A N SER 92.A O no hydrogen 2.963 N/A MET 30.A N SER 47.A O no hydrogen 2.945 N/A TYR 31.A N ALA 90.A O no hydrogen 2.850 N/A TRP 32.A N HIS 45.A O no hydrogen 2.929 N/A TYR 33.A N PHE 88.A O no hydrogen 2.852 N/A ARG 34.A N ARG 42.A O no hydrogen 3.013 N/A ARG 34.A NE ASP 36.A OD2 no hydrogen 2.896 N/A ARG 34.A NH1 SER 82.A O no hydrogen 3.449 N/A ARG 34.A NH2 ASP 36.A OD2 no hydrogen 2.819 N/A ARG 34.A NH2 SER 82.A O no hydrogen 2.830 N/A GLN 35.A N LEU 86.A O no hydrogen 2.883 N/A ASP 36.A N GLY 40.A O no hydrogen 3.258 N/A HIS 39.A N ASP 36.A O no hydrogen 3.110 N/A GLY 40.A N ASP 36.A O no hydrogen 2.842 N/A ARG 42.A N ARG 34.A O no hydrogen 2.919 N/A ARG 42.A NH2 ASP 36.A OD2 no hydrogen 2.680 N/A ILE 44.A N TRP 32.A O no hydrogen 2.725 N/A HIS 45.A NE2 TYR 62.A O no hydrogen 3.271 N/A TYR 46.A N GLN 54.A O no hydrogen 3.085 N/A SER 47.A N MET 30.A O no hydrogen 2.923 N/A SER 47.A OG GLY 49.A O no hydrogen 3.287 N/A SER 47.A OG ASN 52.A O no hydrogen 2.529 N/A TYR 48.A N ASN 52.A OD1 no hydrogen 2.793 N/A GLY 49.A N ASN 28.A O no hydrogen 2.758 N/A GLY 51.A N ARG 66.A O no hydrogen 2.901 N/A ASN 52.A N GLY 49.A O no hydrogen 3.264 N/A GLN 54.A N TYR 46.A O no hydrogen 2.785 N/A GLN 54.A NE2 ASN 52.A OD1 no hydrogen 2.931 N/A GLY 56.A N ILE 44.A O no hydrogen 2.956 N/A ASP 57.A N LEU 43.A O no hydrogen 3.004 N/A VAL 58.A N LEU 43.A O no hydrogen 3.217 N/A TYR 62.A N PRO 59.A O no hydrogen 2.942 N/A TYR 62.A OH TYR 87.A OH no hydrogen 2.762 N/A LYS 63.A N LEU 75.A O no hydrogen 2.941 N/A LYS 63.A NZ GLU 77.A OE1 no hydrogen 2.871 N/A LYS 63.A NZ GLU 77.A OE2 no hydrogen 2.850 N/A THR 65.A N PHE 73.A O no hydrogen 2.953 N/A ARG 66.A NE THR 68.A O no hydrogen 3.038 N/A ARG 66.A NH1 ASN 28.A O no hydrogen 3.022 N/A ARG 66.A NH1 SER 47.A O no hydrogen 3.284 N/A ARG 66.A NH1 SER 47.A OG no hydrogen 2.857 N/A ARG 66.A NH2 HIS 27.A O no hydrogen 3.550 N/A ARG 66.A NH2 ASN 28.A O no hydrogen 3.179 N/A ARG 66.A NH2 GLN 69.A O no hydrogen 2.911 N/A THR 68.A OG1 ASP 71.A OD2 no hydrogen 3.048 N/A GLN 69.A NE2 SER 26.A O no hydrogen 3.075 N/A GLN 69.A NE2 ASN 28.A OD1 no hydrogen 2.763 N/A GLU 70.A N THR 68.A OG1 no hydrogen 3.232 N/A ASP 71.A N THR 68.A OG1 no hydrogen 3.169 N/A PHE 72.A N CYS 21.A O no hydrogen 2.907 N/A PHE 73.A N THR 65.A O no hydrogen 2.910 N/A LEU 74.A N LEU 19.A O no hydrogen 2.913 N/A LEU 75.A N LYS 63.A O no hydrogen 2.610 N/A LEU 76.A N VAL 17.A O no hydrogen 2.891 N/A ALA 79.A N GLY 15.A O no hydrogen 3.039 N/A SER 80.A N GLN 83.A OE1 no hydrogen 3.047 N/A SER 80.A OG SER 82.A OG no hydrogen 2.853 N/A SER 82.A N SER 80.A OG no hydrogen 3.267 N/A SER 82.A OG SER 80.A OG no hydrogen 2.853 N/A GLN 83.A N SER 80.A O no hydrogen 2.846 N/A GLN 83.A NE2 GLY 61.A O no hydrogen 2.953 N/A THR 84.A N PRO 81.A O no hydrogen 3.056 N/A THR 84.A OG1 PRO 81.A O no hydrogen 2.882 N/A THR 84.A OG1 VAL 108.A O no hydrogen 3.365 N/A SER 85.A N LEU 106.A O no hydrogen 3.288 N/A SER 85.A OG GLN 35.A O no hydrogen 3.321 N/A SER 85.A OG ASP 36.A OD1 no hydrogen 3.137 N/A TYR 87.A N SER 104.A O no hydrogen 2.870 N/A TYR 87.A OH TYR 62.A OH no hydrogen 2.762 N/A TYR 87.A OH GLN 83.A O no hydrogen 2.338 N/A PHE 88.A N TYR 33.A O no hydrogen 2.920 N/A CYS 89.A N GLN 4.A OE1 no hydrogen 3.132 N/A CYS 89.A SG TYR 31.A O no hydrogen 3.703 N/A ALA 90.A N TYR 31.A O no hydrogen 2.944 N/A SER 91.A N TYR 99.A O no hydrogen 2.904 N/A SER 91.A OG HIS 27.A ND1 no hydrogen 3.138 N/A SER 92.A N TYR 29.A O no hydrogen 2.989 N/A SER 92.A OG GLN 97.A O no hydrogen 2.958 N/A ALA 94.A N SER 92.A OG no hydrogen 3.181 N/A GLN 97.A N ALA 94.A O no hydrogen 3.059 N/A TYR 99.A N SER 91.A O no hydrogen 2.887 N/A GLY 101.A N CYS 89.A O no hydrogen 2.801 N/A SER 104.A N TYR 87.A O no hydrogen 2.911 N/A SER 104.A OG PRO 6.A O no hydrogen 2.754 N/A LYS 105.A N ARG 7.A O no hydrogen 2.772 N/A LYS 105.A NZ ASP 148.A O no hydrogen 2.909 N/A LEU 106.A N SER 85.A O no hydrogen 3.060 N/A THR 107.A N LYS 9.A O no hydrogen 2.891 N/A THR 107.A OG1 HIS 149.A ND1 no hydrogen 2.461 N/A VAL 108.A N THR 84.A OG1 no hydrogen 2.948 N/A LEU 109.A N THR 11.A O no hydrogen 2.917 N/A ASN 114.A ND2 ASP 111.A OD1 no hydrogen 3.033 N/A VAL 115.A N LEU 112.A O no hydrogen 3.168 N/A PHE 116.A N TYR 146.A O no hydrogen 2.842 N/A GLU 119.A N THR 143.A O no hydrogen 2.901 N/A ALA 121.A N LEU 141.A O no hydrogen 2.940 N/A PHE 123.A N VAL 139.A O no hydrogen 2.872 N/A ILE 130.A N SER 126.A O no hydrogen 3.075 N/A SER 131.A N GLU 127.A O no hydrogen 2.912 N/A SER 131.A OG GLU 127.A O no hydrogen 3.275 N/A SER 131.A OG ALA 128.A O no hydrogen 2.709 N/A HIS 132.A N ALA 128.A O no hydrogen 2.912 N/A THR 133.A N GLU 129.A O no hydrogen 2.882 N/A THR 133.A OG1 GLU 129.A O no hydrogen 2.836 N/A ALA 136.A N VAL 191.A O no hydrogen 2.888 N/A THR 137.A N GLU 129.A OE1 no hydrogen 3.121 N/A THR 137.A OG1 GLU 129.A OE2 no hydrogen 2.506 N/A LEU 138.A N LEU 189.A O no hydrogen 2.854 N/A VAL 139.A N PHE 123.A O no hydrogen 2.974 N/A CYS 140.A N SER 187.A O no hydrogen 2.868 N/A CYS 140.A SG ALA 121.A O no hydrogen 3.936 N/A LEU 141.A N ALA 121.A O no hydrogen 2.903 N/A ALA 142.A N LEU 185.A O no hydrogen 2.882 N/A THR 143.A N GLU 119.A O no hydrogen 2.915 N/A THR 143.A OG1 GLU 119.A O no hydrogen 3.303 N/A PHE 145.A N TYR 183.A O no hydrogen 3.114 N/A TYR 146.A N PHE 116.A O no hydrogen 2.989 N/A HIS 149.A ND1 THR 107.A OG1 no hydrogen 2.461 N/A HIS 149.A NE2 ASN 8.A OD1 no hydrogen 2.793 N/A GLU 151.A N GLN 208.A O no hydrogen 2.893 N/A SER 153.A N GLN 206.A O no hydrogen 2.888 N/A TRP 154.A NE1 SER 187.A OG no hydrogen 2.735 N/A TRP 155.A N ARG 204.A O no hydrogen 2.845 N/A TRP 155.A NE1 SER 153.A OG no hydrogen 2.931 N/A VAL 156.A N LYS 159.A O no hydrogen 2.876 N/A ASN 157.A N HIS 202.A O no hydrogen 3.068 N/A ASN 157.A ND2 ASN 201.A OD1 no hydrogen 3.352 N/A LYS 159.A N VAL 156.A O no hydrogen 2.948 N/A LYS 159.A NZ ASN 157.A O no hydrogen 3.177 N/A VAL 161.A N TRP 154.A O no hydrogen 2.906 N/A CYS 166.A N ARG 188.A O no hydrogen 2.912 N/A THR 167.A OG1 SER 187.A OG no hydrogen 3.062 N/A ASP 168.A N SER 186.A O no hydrogen 2.984 N/A LEU 172.A N ALA 184.A O no hydrogen 3.171 N/A GLU 174.A N ARG 182.A O no hydrogen 3.104 N/A GLN 175.A N SER 181.A OG no hydrogen 3.158 N/A SER 181.A OG ARG 182.A O no hydrogen 2.784 N/A ARG 182.A NH1 GLY 144.A O no hydrogen 3.084 N/A TYR 183.A N PHE 145.A O no hydrogen 2.825 N/A ALA 184.A N LEU 172.A O no hydrogen 2.883 N/A LEU 185.A N ALA 142.A O no hydrogen 2.877 N/A SER 186.A N ASP 168.A OD2 no hydrogen 3.129 N/A SER 186.A OG ASP 168.A OD1 no hydrogen 3.350 N/A SER 186.A OG ASP 168.A OD2 no hydrogen 2.843 N/A SER 187.A N CYS 140.A O no hydrogen 2.901 N/A SER 187.A OG CYS 166.A O no hydrogen 3.355 N/A SER 187.A OG THR 167.A OG1 no hydrogen 3.062 N/A ARG 188.A N CYS 166.A O no hydrogen 2.894 N/A ARG 188.A NH1 CYS 166.A O no hydrogen 3.394 N/A ARG 188.A NH1 ASP 168.A OD1 no hydrogen 3.448 N/A ARG 188.A NH1 SER 186.A OG no hydrogen 3.123 N/A ARG 188.A NH2 ASP 168.A OD1 no hydrogen 3.364 N/A LEU 189.A N LEU 138.A O no hydrogen 2.903 N/A ARG 190.A N GLY 164.A O no hydrogen 2.862 N/A VAL 191.A N ALA 136.A O no hydrogen 2.931 N/A ALA 193.A N GLN 134.A O no hydrogen 3.161 N/A PHE 195.A N SER 192.A O no hydrogen 3.052 N/A TRP 196.A N SER 192.A O no hydrogen 3.210 N/A GLN 197.A N ALA 193.A O no hydrogen 2.982 N/A ASN 198.A N PHE 195.A O no hydrogen 3.393 N/A ARG 200.A N ASN 198.A OD1 no hydrogen 3.276 N/A ASN 201.A N ASN 198.A O no hydrogen 2.991 N/A ASN 201.A ND2 PHE 195.A O no hydrogen 2.673 N/A HIS 202.A N ASN 157.A OD1 no hydrogen 2.952 N/A HIS 202.A NE2 GLU 233.A OE1 no hydrogen 3.056 N/A PHE 203.A N ALA 234.A O no hydrogen 2.902 N/A ARG 204.A N TRP 155.A O no hydrogen 2.840 N/A ARG 204.A NE SER 231.A OG no hydrogen 3.140 N/A ARG 204.A NH1 GLN 206.A OE1 no hydrogen 2.311 N/A CYS 205.A N ALA 232.A O no hydrogen 2.876 N/A GLN 206.A N SER 153.A O no hydrogen 2.909 N/A VAL 207.A N VAL 230.A O no hydrogen 2.878 N/A GLN 208.A N GLU 151.A O no hydrogen 2.887 N/A PHE 209.A N GLN 228.A O no hydrogen 2.769 N/A TYR 210.A N HIS 149.A O no hydrogen 3.143 N/A GLY 211.A N THR 227.A OG1 no hydrogen 3.163 N/A LEU 212.A N PRO 225.A O no hydrogen 3.107 N/A SER 213.A N ASP 216.A OD2 no hydrogen 3.216 N/A SER 213.A OG ASP 216.A OD2 no hydrogen 3.355 N/A THR 219.A N GLN 220.A OE1 no hydrogen 2.852 N/A LYS 224.A NZ GLU 214.A O no hydrogen 3.200 N/A LYS 224.A NZ ASP 216.A O no hydrogen 3.040 N/A THR 227.A N LEU 212.A O no hydrogen 3.259 N/A THR 227.A OG1 GLY 211.A O no hydrogen 3.321 N/A GLN 228.A N PHE 209.A O no hydrogen 3.175 N/A GLN 228.A NE2 VAL 226.A O no hydrogen 3.133 N/A VAL 230.A N VAL 207.A O no hydrogen 2.932 N/A SER 231.A OG CYS 205.A O no hydrogen 3.402 N/A ALA 232.A N CYS 205.A O no hydrogen 2.889 N/A ALA 234.A N PHE 203.A O no hydrogen 2.872 N/A GLY 236.A N ASN 201.A O no hydrogen 3.041 N/A ARG 237.A N TRP 196.A O no hydrogen 3.242 N/A