Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1k3x_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 2.A N GLU 5.A OE1 no hydrogen 2.797 N/A GLY 3.A N GLY 165.A O no hydrogen 2.885 N/A ILE 6.A N GLU 2.A O no hydrogen 2.985 N/A ARG 7.A N GLY 3.A O no hydrogen 2.919 N/A ARG 7.A NE ARG 7.A O no hydrogen 3.247 N/A ARG 7.A NE ASP 11.A OD1 no hydrogen 2.856 N/A ARG 7.A NH1 VAL 47.A O no hydrogen 2.907 N/A ARG 7.A NH1 THR 49.A OG1 no hydrogen 3.017 N/A ARG 7.A NH2 ASP 11.A OD1 no hydrogen 2.933 N/A ARG 7.A NH2 VAL 47.A O no hydrogen 3.076 N/A ARG 8.A N PRO 4.A O no hydrogen 2.947 N/A ALA 9.A N GLU 5.A O no hydrogen 2.925 N/A ALA 10.A N ILE 6.A O no hydrogen 2.829 N/A ASP 11.A N ARG 7.A O no hydrogen 2.877 N/A ASN 12.A N ARG 8.A O no hydrogen 3.121 N/A LEU 13.A N ALA 9.A O no hydrogen 2.887 N/A GLU 14.A N ALA 10.A O no hydrogen 2.918 N/A ALA 15.A N ASP 11.A O no hydrogen 2.964 N/A ALA 16.A N ASN 12.A O no hydrogen 3.036 N/A ILE 17.A N LEU 13.A O no hydrogen 2.987 N/A LYS 18.A N GLU 14.A O no hydrogen 2.903 N/A GLY 19.A N VAL 44.A O no hydrogen 2.790 N/A LYS 20.A N ILE 17.A O no hydrogen 3.092 N/A LYS 20.A NZ ALA 16.A O no hydrogen 2.668 N/A LYS 20.A NZ ASP 97.A OD1 no hydrogen 2.843 N/A LYS 20.A NZ ASP 97.A OD2 no hydrogen 3.414 N/A LEU 22.A N GLN 42.A O no hydrogen 2.799 N/A THR 23.A N GLN 94.A O no hydrogen 2.805 N/A THR 23.A OG1 GLN 94.A O no hydrogen 3.375 N/A ASP 24.A N GLN 94.A O no hydrogen 3.330 N/A TRP 26.A N LYS 92.A O no hydrogen 2.948 N/A PHE 27.A N GLN 36.A OE1 no hydrogen 2.890 N/A ALA 28.A N ARG 90.A O no hydrogen 2.985 N/A GLN 31.A N GLN 31.A OE1 no hydrogen 2.780 N/A LEU 32.A N PHE 29.A O no hydrogen 2.912 N/A LYS 33.A N PRO 30.A O no hydrogen 3.274 N/A LYS 33.A NZ PHE 27.A O no hydrogen 2.769 N/A LYS 33.A NZ GLN 36.A OE1 no hydrogen 3.305 N/A TYR 35.A N LEU 32.A O no hydrogen 2.994 N/A GLN 36.A N LYS 33.A O no hydrogen 3.027 N/A LEU 39.A N TYR 35.A O no hydrogen 3.070 N/A LEU 39.A N GLN 36.A O no hydrogen 3.248 N/A ILE 40.A N GLN 36.A O no hydrogen 3.333 N/A ILE 40.A N SER 37.A O no hydrogen 3.262 N/A GLY 41.A N LEU 22.A O no hydrogen 2.810 N/A GLN 42.A N LEU 39.A O no hydrogen 2.954 N/A HIS 43.A N SER 59.A OG no hydrogen 2.936 N/A THR 45.A N HIS 57.A O no hydrogen 2.825 N/A THR 45.A OG1 HIS 46.A ND1 no hydrogen 3.108 N/A THR 45.A OG1 HIS 57.A O no hydrogen 3.302 N/A HIS 46.A ND1 THR 45.A OG1 no hydrogen 3.108 N/A VAL 47.A N GLU 14.A OE2 no hydrogen 2.777 N/A GLU 48.A N LEU 55.A O no hydrogen 2.864 N/A ARG 50.A N ALA 53.A O no hydrogen 2.937 N/A ARG 50.A NE GLU 48.A OE2 no hydrogen 2.846 N/A ARG 50.A NH1 LEU 116.A O no hydrogen 2.910 N/A ARG 50.A NH2 GLU 48.A OE1 no hydrogen 3.154 N/A ARG 50.A NH2 GLU 48.A OE2 no hydrogen 3.276 N/A GLY 51.A N ASP 128.A OD2 no hydrogen 2.852 N/A LYS 52.A NZ LEU 166.A O no hydrogen 2.787 N/A ALA 53.A N ARG 50.A O no hydrogen 3.061 N/A LEU 54.A N SER 66.A O no hydrogen 2.885 N/A LEU 55.A N GLU 48.A O no hydrogen 2.764 N/A THR 56.A N LEU 64.A O no hydrogen 2.839 N/A HIS 57.A N HIS 46.A O no hydrogen 2.967 N/A HIS 57.A NE2 GLU 48.A OE1 no hydrogen 2.756 N/A PHE 58.A N LEU 62.A O no hydrogen 2.862 N/A SER 59.A N HIS 43.A O no hydrogen 2.853 N/A SER 59.A OG GLN 42.A OE1 no hydrogen 2.739 N/A SER 59.A OG HIS 43.A O no hydrogen 3.343 N/A ASP 61.A N PHE 58.A O no hydrogen 3.330 N/A LEU 62.A N ASN 60.A OD1 no hydrogen 3.361 N/A THR 63.A N LEU 111.A O no hydrogen 2.960 N/A THR 63.A OG1 HIS 57.A ND1 no hydrogen 2.944 N/A LEU 64.A N THR 56.A O no hydrogen 2.827 N/A TYR 65.A N GLU 109.A O no hydrogen 2.797 N/A SER 66.A N LEU 54.A O no hydrogen 2.862 N/A HIS 67.A N ASP 107.A O no hydrogen 2.953 N/A GLN 69.A N HIS 67.A ND1 no hydrogen 2.946 N/A LEU 70.A N GLN 69.A OE1 no hydrogen 2.794 N/A TYR 71.A N ASN 68.A O no hydrogen 2.974 N/A TYR 71.A OH SER 106.A OG no hydrogen 2.694 N/A GLY 72.A N ASN 68.A O no hydrogen 2.803 N/A VAL 73.A N TYR 103.A O no hydrogen 3.001 N/A ARG 75.A N LEU 101.A O no hydrogen 2.811 N/A VAL 77.A N THR 99.A O no hydrogen 2.916 N/A THR 79.A N ASP 97.A O no hydrogen 2.978 N/A THR 79.A OG1 THR 95.A O no hydrogen 2.749 N/A THR 79.A OG1 THR 99.A OG1 no hydrogen 3.090 N/A GLU 81.A N ASP 78.A O no hydrogen 2.914 N/A ARG 87.A N THR 85.A OG1 no hydrogen 3.000 N/A ARG 87.A NH1 TYR 71.A O no hydrogen 2.885 N/A ARG 87.A NH1 SER 104.A OG no hydrogen 2.879 N/A ARG 90.A N LEU 102.A O no hydrogen 2.775 N/A ARG 90.A NH1 ALA 105.A O no hydrogen 2.842 N/A VAL 91.A N LEU 102.A O no hydrogen 3.208 N/A LYS 92.A N TRP 26.A O no hydrogen 2.859 N/A LYS 92.A NZ ASP 24.A OD2 no hydrogen 2.778 N/A LYS 92.A NZ GLN 94.A OE1 no hydrogen 2.837 N/A LEU 93.A N ILE 100.A O no hydrogen 2.932 N/A GLN 94.A N ASP 24.A O no hydrogen 2.937 N/A THR 95.A N LYS 98.A O no hydrogen 2.910 N/A THR 95.A OG1 LYS 98.A O no hydrogen 2.672 N/A LYS 98.A N THR 95.A OG1 no hydrogen 3.330 N/A LYS 98.A NZ ASP 78.A OD1 no hydrogen 2.544 N/A THR 99.A N VAL 77.A O no hydrogen 2.874 N/A THR 99.A OG1 THR 79.A OG1 no hydrogen 3.090 N/A ILE 100.A N LEU 93.A O no hydrogen 2.905 N/A LEU 101.A N ARG 75.A O no hydrogen 2.855 N/A LEU 102.A N VAL 91.A O no hydrogen 2.916 N/A TYR 103.A N VAL 73.A O no hydrogen 2.855 N/A SER 104.A N VAL 88.A O no hydrogen 2.852 N/A ALA 105.A N TYR 103.A O no hydrogen 2.815 N/A SER 106.A OG TYR 71.A OH no hydrogen 2.694 N/A GLU 109.A N TYR 65.A O no hydrogen 2.937 N/A LEU 111.A N THR 63.A O no hydrogen 2.769 N/A ARG 112.A N GLN 115.A OE1 no hydrogen 2.873 N/A GLU 114.A N GLU 114.A OE1 no hydrogen 2.802 N/A GLN 115.A N ARG 112.A O no hydrogen 2.863 N/A LEU 116.A N PRO 113.A O no hydrogen 3.077 N/A THR 117.A N GLU 114.A O no hydrogen 3.360 N/A THR 117.A OG1 GLU 114.A O no hydrogen 3.332 N/A THR 118.A N GLN 115.A O no hydrogen 3.275 N/A THR 118.A OG1 GLU 114.A O no hydrogen 3.330 N/A HIS 119.A N GLN 115.A O no hydrogen 2.956 N/A HIS 119.A NE2 GLU 109.A OE2 no hydrogen 2.980 N/A PHE 121.A N HIS 119.A ND1 no hydrogen 3.066 N/A LEU 122.A N HIS 119.A ND1 no hydrogen 3.407 N/A GLN 123.A N HIS 119.A O no hydrogen 2.789 N/A ARG 124.A N PHE 121.A O no hydrogen 3.052 N/A ARG 124.A NH2.B ASP 159.A OD1 no hydrogen 2.703 N/A ARG 124.A NH2.B ASP 159.A OD2 no hydrogen 3.423 N/A VAL 125.A N PHE 121.A O no hydrogen 3.069 N/A GLY 126.A N GLN 160.A O no hydrogen 2.792 N/A VAL 129.A N ALA 164.A O no hydrogen 3.114 N/A LEU 130.A N ASP 128.A OD1 no hydrogen 2.813 N/A ASP 131.A N ASP 128.A O no hydrogen 2.890 N/A ASN 133.A N ASP 131.A OD1 no hydrogen 2.838 N/A LEU 134.A N ASP 131.A O no hydrogen 2.911 N/A GLU 137.A N GLU 137.A OE1 no hydrogen 2.869 N/A VAL 138.A N THR 135.A OG1 no hydrogen 3.112 N/A VAL 139.A N THR 135.A O no hydrogen 2.994 N/A LYS 140.A N PRO 136.A O no hydrogen 2.808 N/A LYS 140.A NZ.A ASP 195.A OD1 no hydrogen 2.614 N/A LYS 140.A NZ.B ASP 195.A OD1 no hydrogen 2.919 N/A GLU 141.A N GLU 137.A O no hydrogen 3.017 N/A ARG 142.A N VAL 138.A O no hydrogen 2.902 N/A ARG 142.A NE PHE 162.A O no hydrogen 2.776 N/A ARG 142.A NH2 ALA 161.A O no hydrogen 2.876 N/A ARG 142.A NH2 PHE 162.A O no hydrogen 3.455 N/A LEU 143.A N VAL 139.A O no hydrogen 2.892 N/A LEU 144.A N LYS 140.A O no hydrogen 3.008 N/A SER 145.A N ARG 142.A O no hydrogen 3.218 N/A SER 145.A OG ARG 142.A O no hydrogen 2.703 N/A PHE 148.A N SER 145.A O no hydrogen 3.075 N/A ARG 149.A N SER 145.A O no hydrogen 2.896 N/A ARG 149.A NH1 LEU 144.A O no hydrogen 2.903 N/A ARG 151.A N PHE 148.A O no hydrogen 3.039 N/A ARG 151.A NH1 ASP 159.A OD2 no hydrogen 3.406 N/A ARG 151.A NH2 ASP 159.A OD2 no hydrogen 2.864 N/A GLN 152.A NE2 ASN 183.A OD1.A no hydrogen 2.935 N/A PHE 153.A N HIS 184.A O no hydrogen 2.843 N/A ALA 154.A N GLY 182.A O no hydrogen 2.939 N/A LEU 156.A N GLN 152.A O no hydrogen 2.984 N/A LEU 157.A N PHE 153.A O no hydrogen 3.020 N/A LEU 158.A N GLY 155.A O no hydrogen 3.083 N/A ASP 159.A N LEU 156.A O no hydrogen 2.985 N/A GLN 160.A NE2 LEU 158.A O no hydrogen 2.969 N/A GLN 160.A NE2 LEU 166.A O no hydrogen 2.866 N/A ALA 161.A N ASP 159.A OD1 no hydrogen 2.963 N/A PHE 162.A N ASP 159.A O no hydrogen 2.980 N/A ALA 164.A N PRO 127.A O no hydrogen 2.808 N/A GLY 165.A N GLN 160.A OE1 no hydrogen 2.864 N/A GLY 167.A N GLU 2.A OE1 no hydrogen 2.872 N/A ASN 168.A ND2 PRO 244.A O.A no hydrogen 2.898 N/A ASN 168.A ND2 PRO 244.A O.B no hydrogen 2.740 N/A TYR 169.A N GLU 2.A OE2 no hydrogen 2.734 N/A TYR 169.A OH GLU 5.A OE2 no hydrogen 2.581 N/A TYR 169.A OH SER 208.A OG no hydrogen 2.724 N/A LEU 170.A N GLU 2.A OE1 no hydrogen 3.035 N/A ARG 171.A N GLY 167.A O no hydrogen 2.798 N/A ARG 171.A NE ASN 168.A OD1 no hydrogen 2.931 N/A ARG 171.A NH1 ALA 154.A O no hydrogen 2.853 N/A ARG 171.A NH1 LEU 240.A O no hydrogen 3.357 N/A ARG 171.A NH1 SER 241.A OG no hydrogen 2.960 N/A ARG 171.A NH2 ASN 168.A OD1 no hydrogen 2.779 N/A ARG 171.A NH2 LEU 240.A O no hydrogen 2.956 N/A ARG 171.A NH2 PRO 244.A O.A no hydrogen 3.407 N/A VAL 172.A N ASN 168.A O no hydrogen 3.031 N/A GLU 173.A N TYR 169.A O no hydrogen 2.945 N/A ILE 174.A N LEU 170.A O no hydrogen 2.782 N/A LEU 175.A N ARG 171.A O no hydrogen 3.048 N/A TRP 176.A N VAL 172.A O no hydrogen 3.073 N/A GLN 177.A N GLU 173.A O no hydrogen 2.952 N/A VAL 178.A N ILE 174.A O no hydrogen 3.213 N/A GLY 179.A N TRP 176.A O no hydrogen 3.021 N/A LEU 180.A N LEU 175.A O no hydrogen 2.977 N/A THR 181.A N HIS 253.A OXT no hydrogen 2.946 N/A ASN 183.A N THR 181.A OG1 no hydrogen 3.343 N/A HIS 184.A ND1 THR 181.A O no hydrogen 3.259 N/A LYS 185.A NZ ASN 150.A OD1 no hydrogen 2.925 N/A LYS 187.A N ARG 149.A O no hydrogen 3.059 N/A LYS 187.A NZ ASN 150.A OD1 no hydrogen 2.998 N/A ASP 188.A N LYS 185.A O no hydrogen 3.035 N/A LEU 189.A N ALA 186.A O no hydrogen 3.131 N/A ASN 190.A N GLN 193.A OE1 no hydrogen 2.884 N/A GLN 193.A N ASN 190.A OD1 no hydrogen 2.855 N/A LEU 194.A N ASN 190.A O no hydrogen 2.890 N/A ASP 195.A N ALA 191.A O no hydrogen 2.992 N/A ALA 196.A N ALA 192.A O no hydrogen 2.929 N/A LEU 197.A N GLN 193.A O no hydrogen 2.879 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 3.005 N/A HIS 199.A ND1 GLU 203.A OE2 no hydrogen 2.820 N/A ALA 200.A N ALA 196.A O no hydrogen 2.920 N/A LEU 201.A N LEU 197.A O no hydrogen 2.934 N/A LEU 202.A N HIS 199.A O no hydrogen 3.215 N/A GLU 203.A N HIS 199.A O no hydrogen 2.776 N/A ILE 204.A N ALA 200.A O no hydrogen 3.075 N/A ARG 206.A N LEU 202.A O no hydrogen 3.023 N/A ARG 206.A NE VAL 129.A O no hydrogen 2.854 N/A ARG 206.A NH2 VAL 129.A O no hydrogen 3.192 N/A ARG 206.A NH2 LEU 134.A O no hydrogen 2.905 N/A PHE 207.A N GLU 203.A O no hydrogen 2.883 N/A SER 208.A N ILE 204.A O no hydrogen 2.937 N/A SER 208.A OG TYR 169.A OH no hydrogen 2.724 N/A TYR 209.A N PRO 205.A O no hydrogen 2.893 N/A TYR 209.A OH ASP 11.A OD2 no hydrogen 2.526 N/A ALA 210.A N ARG 206.A O no hydrogen 2.972 N/A THR 211.A N PHE 207.A O no hydrogen 2.932 N/A THR 211.A N SER 208.A O no hydrogen 3.315 N/A THR 211.A OG1 PHE 207.A O no hydrogen 2.882 N/A ARG 212.A N SER 208.A O no hydrogen 2.906 N/A ARG 212.A NH1 GLU 5.A OE2 no hydrogen 2.895 N/A PHE 216.A N THR 211.A OG1 no hydrogen 2.821 N/A ARG 217.A NE GLU 229.A OE2 no hydrogen 3.486 N/A ARG 217.A NH2 GLU 229.A OE1 no hydrogen 2.961 N/A LYS 219.A N GLU 173.A OE1 no hydrogen 2.772 N/A VAL 220.A N GLU 173.A OE2 no hydrogen 2.962 N/A PHE 221.A N GLU 173.A OE2 no hydrogen 2.811 N/A ARG 223.A N VAL 220.A O no hydrogen 2.899 N/A ARG 223.A NE GLU 226.A OE1 no hydrogen 2.745 N/A ARG 223.A NH1 PHE 218.A O no hydrogen 2.889 N/A ARG 223.A NH2 GLU 226.A OE1 no hydrogen 3.552 N/A GLY 225.A N ILE 235.A O no hydrogen 2.904 N/A GLU 226.A N ARG 223.A O no hydrogen 2.989 N/A CYS 228.A N SER 233.A O no hydrogen 2.694 N/A ARG 230.A NH1 TRP 176.A O no hydrogen 3.275 N/A ARG 230.A NH1 GLN 177.A O no hydrogen 3.172 N/A ARG 230.A NH2 TRP 176.A O no hydrogen 2.784 N/A CYS 231.A SG SER 233.A OG no hydrogen 3.745 N/A GLY 232.A N CYS 228.A O no hydrogen 2.888 N/A ILE 235.A N GLU 226.A O no hydrogen 2.947 N/A GLU 236.A N TRP 247.A O no hydrogen 2.858 N/A THR 238.A N PHE 245.A O no hydrogen 2.851 N/A THR 239.A N THR 238.A OG1 no hydrogen 2.810 N/A LEU 240.A N ARG 243.A O no hydrogen 2.830 N/A ARG 243.A N LEU 240.A O no hydrogen 3.210 N/A PHE 245.A N THR 238.A O no hydrogen 2.860 N/A TRP 247.A N GLU 236.A O no hydrogen 3.042 N/A CYS 248.A N GLN 252.A OE1 no hydrogen 2.798 N/A CYS 251.A N CYS 248.A O no hydrogen 3.453 N/A GLN 252.A N CYS 248.A O no hydrogen 3.027 N/A GLN 252.A NE2 LEU 180.A O no hydrogen 2.855 N/A HIS 253.A N GLY 179.A O no hydrogen 2.967 N/A