Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1k3w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 2.A N GLU 5.A OE1 no hydrogen 2.897 N/A GLY 3.A N GLY 165.A O no hydrogen 2.891 N/A ILE 6.A N GLU 2.A O no hydrogen 3.049 N/A ARG 7.A N GLY 3.A O no hydrogen 2.940 N/A ARG 7.A NE ARG 7.A O no hydrogen 3.210 N/A ARG 7.A NE ASP 11.A OD1 no hydrogen 2.884 N/A ARG 7.A NH1 VAL 47.A O no hydrogen 2.917 N/A ARG 7.A NH1 THR 49.A OG1 no hydrogen 3.082 N/A ARG 7.A NH2 ASP 11.A OD1 no hydrogen 2.979 N/A ARG 7.A NH2 VAL 47.A O no hydrogen 3.108 N/A ARG 8.A N PRO 4.A O no hydrogen 2.963 N/A ALA 9.A N GLU 5.A O no hydrogen 2.911 N/A ALA 10.A N ILE 6.A O no hydrogen 2.819 N/A ASP 11.A N ARG 7.A O no hydrogen 2.849 N/A ASN 12.A N ARG 8.A O no hydrogen 3.084 N/A LEU 13.A N ALA 9.A O no hydrogen 2.901 N/A GLU 14.A N ALA 10.A O no hydrogen 2.945 N/A ALA 15.A N ASP 11.A O no hydrogen 3.011 N/A ALA 16.A N ASN 12.A O no hydrogen 3.023 N/A ILE 17.A N LEU 13.A O no hydrogen 2.910 N/A LYS 18.A N GLU 14.A O no hydrogen 2.898 N/A GLY 19.A N VAL 44.A O no hydrogen 2.820 N/A LYS 20.A N ILE 17.A O no hydrogen 3.120 N/A LYS 20.A NZ ALA 16.A O no hydrogen 2.875 N/A LYS 20.A NZ ASP 97.A OD1 no hydrogen 2.774 N/A LYS 20.A NZ ASP 97.A OD2 no hydrogen 3.283 N/A LEU 22.A N GLN 42.A O no hydrogen 2.829 N/A THR 23.A N GLN 94.A O no hydrogen 2.814 N/A THR 23.A OG1 GLN 94.A O no hydrogen 3.345 N/A ASP 24.A N GLN 94.A O no hydrogen 3.384 N/A TRP 26.A N LYS 92.A O no hydrogen 2.930 N/A PHE 27.A N GLN 36.A OE1 no hydrogen 2.889 N/A ALA 28.A N ARG 90.A O no hydrogen 3.008 N/A GLN 31.A N GLN 31.A OE1 no hydrogen 2.960 N/A LEU 32.A N PHE 29.A O no hydrogen 2.959 N/A LYS 33.A N PRO 30.A O no hydrogen 3.299 N/A LYS 33.A NZ PHE 27.A O no hydrogen 2.807 N/A LYS 33.A NZ GLN 36.A OE1 no hydrogen 3.531 N/A TYR 35.A N LEU 32.A O no hydrogen 3.017 N/A GLN 36.A N LYS 33.A O no hydrogen 3.070 N/A LEU 39.A N TYR 35.A O no hydrogen 3.079 N/A LEU 39.A N GLN 36.A O no hydrogen 3.264 N/A ILE 40.A N GLN 36.A O no hydrogen 3.343 N/A ILE 40.A N SER 37.A O no hydrogen 3.337 N/A GLY 41.A N LEU 22.A O no hydrogen 2.828 N/A GLN 42.A N LEU 39.A O no hydrogen 2.913 N/A HIS 43.A N SER 59.A OG no hydrogen 2.935 N/A THR 45.A N HIS 57.A O no hydrogen 2.817 N/A THR 45.A OG1 HIS 46.A ND1.A no hydrogen 3.363 N/A THR 45.A OG1 HIS 57.A O no hydrogen 3.238 N/A VAL 47.A N GLU 14.A OE2 no hydrogen 2.779 N/A GLU 48.A N LEU 55.A O no hydrogen 2.891 N/A ARG 50.A N ALA 53.A O no hydrogen 2.889 N/A ARG 50.A NE GLU 48.A OE2 no hydrogen 2.914 N/A ARG 50.A NH1 LEU 116.A O no hydrogen 2.905 N/A ARG 50.A NH2 GLU 48.A OE1 no hydrogen 3.287 N/A ARG 50.A NH2 GLU 48.A OE2 no hydrogen 3.346 N/A GLY 51.A N ASP 128.A OD2 no hydrogen 2.903 N/A LYS 52.A NZ LEU 166.A O no hydrogen 2.846 N/A ALA 53.A N ARG 50.A O no hydrogen 3.015 N/A LEU 54.A N SER 66.A O no hydrogen 2.904 N/A LEU 55.A N GLU 48.A O no hydrogen 2.771 N/A THR 56.A N LEU 64.A O no hydrogen 2.874 N/A HIS 57.A N HIS 46.A O no hydrogen 2.981 N/A HIS 57.A NE2 GLU 48.A OE1 no hydrogen 2.803 N/A PHE 58.A N LEU 62.A O no hydrogen 2.895 N/A SER 59.A N HIS 43.A O no hydrogen 2.839 N/A SER 59.A OG GLN 42.A OE1 no hydrogen 2.697 N/A SER 59.A OG HIS 43.A O no hydrogen 3.309 N/A ASP 61.A N PHE 58.A O no hydrogen 3.171 N/A LEU 62.A N ASN 60.A OD1 no hydrogen 3.286 N/A THR 63.A N LEU 111.A O no hydrogen 2.988 N/A THR 63.A OG1 HIS 57.A ND1 no hydrogen 2.894 N/A LEU 64.A N THR 56.A O no hydrogen 2.852 N/A TYR 65.A N GLU 109.A O no hydrogen 2.788 N/A SER 66.A N LEU 54.A O no hydrogen 2.904 N/A HIS 67.A N ASP 107.A O no hydrogen 2.977 N/A GLN 69.A N HIS 67.A ND1 no hydrogen 3.042 N/A LEU 70.A N GLN 69.A OE1 no hydrogen 2.772 N/A TYR 71.A N ASN 68.A O no hydrogen 3.045 N/A TYR 71.A OH SER 106.A OG no hydrogen 2.661 N/A GLY 72.A N ASN 68.A O no hydrogen 2.809 N/A VAL 73.A N TYR 103.A O no hydrogen 3.017 N/A ARG 75.A N LEU 101.A O no hydrogen 2.796 N/A VAL 77.A N THR 99.A O no hydrogen 2.890 N/A THR 79.A N ASP 97.A O no hydrogen 2.996 N/A THR 79.A OG1 THR 95.A O no hydrogen 2.704 N/A THR 79.A OG1 THR 99.A OG1 no hydrogen 3.218 N/A GLU 81.A N ASP 78.A O no hydrogen 2.909 N/A ARG 87.A N THR 85.A OG1 no hydrogen 2.972 N/A ARG 87.A NH1 TYR 71.A O no hydrogen 2.832 N/A ARG 87.A NH1 SER 104.A OG no hydrogen 2.898 N/A ARG 90.A N LEU 102.A O no hydrogen 2.792 N/A ARG 90.A NH1 ALA 105.A O no hydrogen 2.946 N/A VAL 91.A N LEU 102.A O no hydrogen 3.184 N/A LYS 92.A N TRP 26.A O no hydrogen 2.823 N/A LYS 92.A NZ ASP 24.A OD2 no hydrogen 2.781 N/A LYS 92.A NZ GLN 94.A OE1 no hydrogen 2.824 N/A LEU 93.A N ILE 100.A O no hydrogen 2.959 N/A GLN 94.A N ASP 24.A O no hydrogen 2.960 N/A THR 95.A N LYS 98.A O no hydrogen 2.890 N/A THR 95.A OG1 ASP 97.A OD1 no hydrogen 3.568 N/A THR 95.A OG1 LYS 98.A O no hydrogen 2.799 N/A LYS 98.A N THR 95.A OG1 no hydrogen 3.338 N/A LYS 98.A NZ ASP 78.A OD1 no hydrogen 2.624 N/A THR 99.A N VAL 77.A O no hydrogen 2.880 N/A THR 99.A OG1 THR 79.A OG1 no hydrogen 3.218 N/A ILE 100.A N LEU 93.A O no hydrogen 2.956 N/A LEU 101.A N ARG 75.A O no hydrogen 2.933 N/A LEU 102.A N VAL 91.A O no hydrogen 2.910 N/A TYR 103.A N VAL 73.A O no hydrogen 2.821 N/A SER 104.A N VAL 88.A O no hydrogen 2.791 N/A ALA 105.A N TYR 103.A O no hydrogen 2.808 N/A SER 106.A OG TYR 71.A OH no hydrogen 2.661 N/A GLU 109.A N TYR 65.A O no hydrogen 2.949 N/A LEU 111.A N THR 63.A O no hydrogen 2.746 N/A ARG 112.A N GLN 115.A OE1 no hydrogen 2.820 N/A GLU 114.A N GLU 114.A OE1 no hydrogen 2.837 N/A GLN 115.A N ARG 112.A O no hydrogen 2.871 N/A LEU 116.A N PRO 113.A O no hydrogen 3.073 N/A THR 117.A N GLU 114.A O no hydrogen 3.336 N/A THR 117.A OG1 GLU 114.A O no hydrogen 3.338 N/A THR 118.A OG1 GLU 114.A O no hydrogen 3.259 N/A HIS 119.A N GLN 115.A O no hydrogen 2.894 N/A HIS 119.A NE2 GLU 109.A OE2 no hydrogen 2.904 N/A PHE 121.A N HIS 119.A ND1 no hydrogen 3.141 N/A LEU 122.A N HIS 119.A ND1 no hydrogen 3.418 N/A GLN 123.A N HIS 119.A O no hydrogen 2.815 N/A ARG 124.A N PHE 121.A O no hydrogen 3.023 N/A ARG 124.A NH2.A ASP 159.A OD1 no hydrogen 2.754 N/A VAL 125.A N PHE 121.A O no hydrogen 3.067 N/A GLY 126.A N GLN 160.A O no hydrogen 2.862 N/A VAL 129.A N ALA 164.A O no hydrogen 3.160 N/A LEU 130.A N ASP 128.A OD1 no hydrogen 2.840 N/A ASP 131.A N ASP 128.A O no hydrogen 2.992 N/A ASN 133.A N ASP 131.A OD1 no hydrogen 2.871 N/A LEU 134.A N ASP 131.A O no hydrogen 2.953 N/A GLU 137.A N GLU 137.A OE1 no hydrogen 2.760 N/A VAL 138.A N THR 135.A OG1 no hydrogen 3.109 N/A VAL 139.A N THR 135.A O no hydrogen 3.035 N/A LYS 140.A N PRO 136.A O no hydrogen 2.832 N/A LYS 140.A NZ.A ASP 195.A OD1 no hydrogen 2.495 N/A LYS 140.A NZ.B ASP 195.A OD1 no hydrogen 3.017 N/A GLU 141.A N GLU 137.A O no hydrogen 3.059 N/A ARG 142.A N VAL 138.A O no hydrogen 2.967 N/A ARG 142.A NE PHE 162.A O no hydrogen 2.788 N/A ARG 142.A NH2 ALA 161.A O no hydrogen 2.956 N/A ARG 142.A NH2 PHE 162.A O no hydrogen 3.497 N/A LEU 143.A N VAL 139.A O no hydrogen 2.852 N/A LEU 144.A N LYS 140.A O no hydrogen 3.069 N/A SER 145.A N ARG 142.A O no hydrogen 3.179 N/A SER 145.A OG ARG 142.A O no hydrogen 2.698 N/A PHE 148.A N SER 145.A O no hydrogen 3.002 N/A ARG 149.A N SER 145.A O no hydrogen 2.836 N/A ARG 149.A NH1 LEU 144.A O no hydrogen 2.846 N/A ARG 151.A N PHE 148.A O no hydrogen 3.100 N/A ARG 151.A NH1 ASP 159.A OD2 no hydrogen 3.403 N/A ARG 151.A NH2 ASP 159.A OD2 no hydrogen 2.946 N/A PHE 153.A N HIS 184.A O no hydrogen 2.850 N/A ALA 154.A N GLY 182.A O no hydrogen 2.973 N/A LEU 156.A N GLN 152.A O no hydrogen 2.999 N/A LEU 157.A N PHE 153.A O no hydrogen 3.014 N/A LEU 158.A N GLY 155.A O no hydrogen 3.116 N/A ASP 159.A N LEU 156.A O no hydrogen 3.042 N/A GLN 160.A NE2 LEU 158.A O no hydrogen 2.989 N/A GLN 160.A NE2 LEU 166.A O no hydrogen 2.826 N/A ALA 161.A N ASP 159.A OD1 no hydrogen 3.001 N/A PHE 162.A N ASP 159.A O no hydrogen 2.922 N/A ALA 164.A N PRO 127.A O.A no hydrogen 3.039 N/A ALA 164.A N PRO 127.A O.B no hydrogen 2.789 N/A GLY 165.A N GLN 160.A OE1 no hydrogen 2.832 N/A ASN 168.A ND2 PRO 245.A O no hydrogen 2.813 N/A TYR 169.A N GLU 2.A OE2 no hydrogen 2.719 N/A TYR 169.A OH GLU 5.A OE1 no hydrogen 3.423 N/A TYR 169.A OH GLU 5.A OE2 no hydrogen 2.529 N/A TYR 169.A OH SER 208.A OG no hydrogen 2.726 N/A LEU 170.A N GLU 2.A OE1 no hydrogen 3.067 N/A ARG 171.A N GLY 167.A O no hydrogen 2.841 N/A ARG 171.A NE ASN 168.A OD1 no hydrogen 2.901 N/A ARG 171.A NH1 ALA 154.A O no hydrogen 2.805 N/A ARG 171.A NH1 LEU 241.A O no hydrogen 3.376 N/A ARG 171.A NH1 SER 242.A OG no hydrogen 2.957 N/A ARG 171.A NH2 ASN 168.A OD1 no hydrogen 2.821 N/A ARG 171.A NH2 LEU 241.A O no hydrogen 2.938 N/A ARG 171.A NH2 PRO 245.A O no hydrogen 3.487 N/A VAL 172.A N ASN 168.A O no hydrogen 3.041 N/A GLU 173.A N TYR 169.A O no hydrogen 2.909 N/A ILE 174.A N LEU 170.A O no hydrogen 2.789 N/A LEU 175.A N ARG 171.A O no hydrogen 3.080 N/A TRP 176.A N VAL 172.A O no hydrogen 3.021 N/A GLN 177.A N GLU 173.A O no hydrogen 2.959 N/A VAL 178.A N ILE 174.A O no hydrogen 3.168 N/A GLY 179.A N TRP 176.A O no hydrogen 3.038 N/A LEU 180.A N LEU 175.A O no hydrogen 2.924 N/A THR 181.A N HIS 254.A O no hydrogen 2.976 N/A THR 181.A OG1 ASN 183.A OD1 no hydrogen 2.269 N/A THR 181.A OG1 HIS 184.A NE2 no hydrogen 3.117 N/A THR 181.A OG1 HIS 254.A O no hydrogen 3.499 N/A HIS 184.A NE2 HIS 254.A O no hydrogen 2.731 N/A HIS 184.A NE2 HIS 254.A OXT no hydrogen 2.992 N/A LYS 185.A NZ ASN 150.A OD1 no hydrogen 2.942 N/A LYS 187.A N ARG 149.A O no hydrogen 3.140 N/A LYS 187.A NZ ASN 150.A OD1 no hydrogen 2.886 N/A ASP 188.A N LYS 185.A O no hydrogen 2.918 N/A LEU 189.A N ALA 186.A O no hydrogen 3.121 N/A ASN 190.A N GLN 193.A OE1 no hydrogen 2.974 N/A GLN 193.A N ASN 190.A OD1 no hydrogen 2.835 N/A LEU 194.A N ASN 190.A O no hydrogen 2.910 N/A ASP 195.A N ALA 191.A O no hydrogen 2.949 N/A ALA 196.A N ALA 192.A O no hydrogen 2.984 N/A LEU 197.A N GLN 193.A O no hydrogen 2.896 N/A ALA 198.A N LEU 194.A O no hydrogen 2.907 N/A HIS 199.A N ASP 195.A O no hydrogen 3.008 N/A HIS 199.A ND1 ASP 195.A O no hydrogen 3.105 N/A ALA 200.A N ALA 196.A O no hydrogen 2.887 N/A LEU 201.A N LEU 197.A O no hydrogen 2.900 N/A LEU 202.A N HIS 199.A O no hydrogen 3.196 N/A GLU 203.A N HIS 199.A O no hydrogen 2.731 N/A ILE 204.A N ALA 200.A O no hydrogen 3.057 N/A ARG 206.A N LEU 202.A O no hydrogen 3.061 N/A ARG 206.A NE VAL 129.A O no hydrogen 2.922 N/A ARG 206.A NH2 VAL 129.A O no hydrogen 3.249 N/A ARG 206.A NH2 LEU 134.A O no hydrogen 2.925 N/A PHE 207.A N GLU 203.A O no hydrogen 2.908 N/A SER 208.A N ILE 204.A O no hydrogen 2.929 N/A SER 208.A OG TYR 169.A OH no hydrogen 2.726 N/A TYR 209.A N PRO 205.A O no hydrogen 2.898 N/A TYR 209.A OH ASP 11.A OD2 no hydrogen 2.596 N/A ALA 210.A N ARG 206.A O no hydrogen 2.945 N/A THR 211.A N PHE 207.A O no hydrogen 2.920 N/A THR 211.A OG1 PHE 207.A O no hydrogen 2.858 N/A ARG 212.A N SER 208.A O no hydrogen 2.961 N/A ARG 212.A NH1.A GLU 5.A OE2 no hydrogen 2.920 N/A GLN 214.A N THR 211.A O no hydrogen 3.176 N/A PHE 217.A N THR 211.A OG1 no hydrogen 2.892 N/A ARG 218.A NE GLU 230.A OE2 no hydrogen 3.031 N/A ARG 218.A NH2 GLU 230.A OE1 no hydrogen 2.702 N/A ARG 218.A NH2 GLU 230.A OE2 no hydrogen 3.503 N/A LYS 220.A N GLU 173.A OE1 no hydrogen 2.767 N/A LYS 220.A N GLU 173.A OE2 no hydrogen 3.167 N/A VAL 221.A N GLU 173.A OE2 no hydrogen 2.971 N/A PHE 222.A N GLU 173.A OE2 no hydrogen 2.902 N/A ARG 224.A N VAL 221.A O no hydrogen 2.882 N/A GLY 226.A N ILE 236.A O no hydrogen 2.913 N/A GLU 227.A N ARG 224.A O no hydrogen 3.025 N/A CYS 229.A N SER 234.A O no hydrogen 2.644 N/A ARG 231.A NH1 TRP 176.A O no hydrogen 3.360 N/A ARG 231.A NH1 GLN 177.A O no hydrogen 3.230 N/A ARG 231.A NH2 TRP 176.A O no hydrogen 2.742 N/A GLY 233.A N CYS 229.A O no hydrogen 2.876 N/A ILE 236.A N GLU 227.A O no hydrogen 2.995 N/A GLU 237.A N TRP 248.A O no hydrogen 2.877 N/A THR 239.A N PHE 246.A O no hydrogen 2.721 N/A THR 240.A N THR 239.A OG1 no hydrogen 2.813 N/A LEU 241.A N ARG 244.A O no hydrogen 2.773 N/A ARG 244.A N LEU 241.A O no hydrogen 3.332 N/A PHE 246.A N THR 239.A O no hydrogen 2.853 N/A TRP 248.A N GLU 237.A O no hydrogen 3.020 N/A CYS 249.A N GLN 253.A OE1 no hydrogen 2.770 N/A GLN 253.A N CYS 249.A O no hydrogen 3.087 N/A GLN 253.A NE2 LEU 180.A O no hydrogen 2.869 N/A HIS 254.A N GLY 179.A O no hydrogen 3.011 N/A