Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kg6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A NE2 GLU 51.A OE1 no hydrogen 2.745 N/A LEU 5.A N HIS 3.A ND1 no hydrogen 3.138 N/A LEU 6.A N HIS 3.A ND1 no hydrogen 2.997 N/A GLY 7.A N HIS 3.A O no hydrogen 2.829 N/A LYS 9.A NZ HIS 19.A ND1 no hydrogen 2.932 N/A ILE 10.A N ARG 20.A O no hydrogen 2.768 N/A GLN 18.A NE2 SER 93.A OG no hydrogen 3.014 N/A HIS 19.A N VAL 92.A O no hydrogen 2.895 N/A ARG 20.A NH1 GLN 89.A OE1 no hydrogen 3.273 N/A ARG 20.A NH2 GLN 18.A OE1 no hydrogen 2.962 N/A PHE 21.A N THR 90.A O no hydrogen 2.933 N/A GLN 22.A N GLU 8.A O no hydrogen 2.937 N/A SER 23.A N VAL 88.A O no hydrogen 2.837 N/A SER 23.A OG LEU 5.A O no hydrogen 2.635 N/A ILE 25.A N LYS 86.A O no hydrogen 2.892 N/A GLY 26.A N SER 29.A O no hydrogen 2.921 N/A SER 29.A N GLY 26.A O no hydrogen 3.167 N/A TYR 32.A OH TYR 194.A OH no hydrogen 2.752 N/A LEU 33.A N PRO 30.A O no hydrogen 3.260 N/A ASN 34.A N GLY 31.A O no hydrogen 3.373 N/A HIS 35.A N TYR 32.A O no hydrogen 2.899 N/A HIS 36.A N LEU 33.A O no hydrogen 3.202 N/A GLN 37.A N ASP 159.A O no hydrogen 3.331 N/A GLN 37.A NE2 ASN 34.A O no hydrogen 3.358 N/A VAL 38.A N LYS 41.A O no hydrogen 2.835 N/A PHE 39.A N GLY 157.A O no hydrogen 2.593 N/A LYS 41.A N VAL 38.A O no hydrogen 3.188 N/A LEU 43.A N HIS 36.A O no hydrogen 3.270 N/A PHE 44.A N LEU 78.A O no hydrogen 2.933 N/A THR 47.A OG1 PRO 198.A O no hydrogen 2.649 N/A GLY 48.A N PRO 45.A O no hydrogen 2.823 N/A TYR 49.A N SER 46.A O no hydrogen 2.940 N/A LEU 50.A N SER 46.A O no hydrogen 3.286 N/A GLU 51.A N THR 47.A O no hydrogen 2.969 N/A ILE 52.A N GLY 48.A O no hydrogen 2.947 N/A ALA 53.A N TYR 49.A O no hydrogen 3.005 N/A ALA 54.A N LEU 50.A O no hydrogen 2.814 N/A SER 55.A N GLU 51.A O no hydrogen 2.822 N/A SER 55.A OG GLU 51.A O no hydrogen 3.137 N/A SER 55.A OG GLU 51.A OE1 no hydrogen 3.254 N/A ALA 56.A N ILE 52.A O no hydrogen 2.934 N/A GLY 57.A N ALA 53.A O no hydrogen 2.965 N/A LYS 58.A N ALA 54.A O no hydrogen 3.032 N/A SER 59.A N SER 55.A O no hydrogen 3.090 N/A SER 59.A N ALA 56.A O no hydrogen 3.072 N/A SER 59.A OG SER 55.A O no hydrogen 3.106 N/A LEU 60.A N ALA 56.A O no hydrogen 2.944 N/A PHE 61.A N GLY 57.A O no hydrogen 2.868 N/A SER 63.A OG GLU 65.A OE2 no hydrogen 3.369 N/A GLN 66.A N GLU 122.A O no hydrogen 3.017 N/A GLN 66.A NE2 VAL 67.A O no hydrogen 3.013 N/A GLN 66.A NE2 LEU 229.A O no hydrogen 3.109 N/A VAL 68.A N TYR 120.A O no hydrogen 2.791 N/A VAL 69.A N PHE 227.A O no hydrogen 3.074 N/A SER 70.A N LYS 118.A O no hydrogen 2.862 N/A SER 70.A OG ASP 71.A OD2 no hydrogen 3.058 N/A ASP 71.A N GLU 225.A O no hydrogen 2.922 N/A VAL 72.A N VAL 224.A O no hydrogen 2.918 N/A ASP 73.A N GLN 116.A O no hydrogen 2.694 N/A ILE 74.A N VAL 222.A O no hydrogen 2.802 N/A LEU 75.A N HIS 114.A O no hydrogen 2.634 N/A GLN 76.A N HIS 114.A O no hydrogen 3.350 N/A ILE 80.A N VAL 42.A O no hydrogen 2.851 N/A GLU 84.A N PRO 81.A O no hydrogen 3.285 N/A LYS 86.A N ILE 25.A O no hydrogen 2.730 N/A VAL 88.A N SER 23.A O no hydrogen 2.849 N/A GLN 89.A N PHE 105.A O no hydrogen 2.833 N/A GLN 89.A NE2 GLN 22.A OE1 no hydrogen 2.929 N/A THR 90.A N PHE 21.A O no hydrogen 2.936 N/A VAL 91.A N GLU 103.A O no hydrogen 2.824 N/A VAL 92.A N HIS 19.A O no hydrogen 2.800 N/A SER 93.A N LYS 101.A O no hydrogen 2.639 N/A PHE 94.A N ASP 17.A O no hydrogen 2.882 N/A ALA 95.A N SER 99.A O no hydrogen 2.664 N/A ASN 98.A N GLU 96.A O no hydrogen 2.834 N/A SER 99.A N ALA 95.A O no hydrogen 3.254 N/A SER 99.A OG ALA 95.A O no hydrogen 3.166 N/A SER 99.A OG ASN 97.A OD1 no hydrogen 2.804 N/A TYR 100.A N ILE 119.A O no hydrogen 2.838 N/A LYS 101.A N SER 93.A O no hydrogen 2.710 N/A PHE 102.A N GLY 117.A O no hydrogen 2.868 N/A GLU 103.A N VAL 91.A O no hydrogen 2.799 N/A ILE 104.A N ALA 115.A O no hydrogen 2.739 N/A PHE 105.A N GLN 89.A O no hydrogen 2.812 N/A SER 106.A N VAL 112.A O no hydrogen 3.065 N/A SER 106.A OG HIS 114.A NE2 no hydrogen 2.647 N/A SER 108.A N GLN 110.A O no hydrogen 2.877 N/A VAL 112.A N SER 106.A O no hydrogen 2.814 N/A HIS 114.A N ILE 104.A O no hydrogen 2.807 N/A HIS 114.A ND1 GLN 76.A O no hydrogen 2.977 N/A HIS 114.A NE2 SER 106.A OG no hydrogen 2.647 N/A ALA 115.A N ILE 104.A O no hydrogen 3.474 N/A GLN 116.A N ASP 73.A O no hydrogen 3.003 N/A GLN 116.A NE2 ASP 73.A OD2 no hydrogen 3.303 N/A GLY 117.A N PHE 102.A O no hydrogen 3.007 N/A LYS 118.A N SER 70.A O no hydrogen 2.847 N/A ILE 119.A N TYR 100.A O no hydrogen 2.811 N/A TYR 120.A N VAL 68.A O no hydrogen 2.994 N/A GLU 122.A N GLN 66.A O no hydrogen 2.948 N/A THR 124.A OG1 GLN 64.A O no hydrogen 2.425 N/A ILE 131.A N GLY 259.A O no hydrogen 2.852 N/A LYS 135.A N ASP 132.A OD1 no hydrogen 3.395 N/A LYS 135.A NZ GLU 139.A OE2 no hydrogen 2.881 N/A TYR 136.A N ASP 132.A O no hydrogen 3.386 N/A TYR 136.A OH GLU 242.A OE1 no hydrogen 2.823 N/A GLN 137.A N LEU 133.A O no hydrogen 2.779 N/A ALA 138.A N GLU 134.A O no hydrogen 3.134 N/A GLU 139.A N LYS 135.A O no hydrogen 2.898 N/A CYS 140.A N TYR 136.A O no hydrogen 2.901 N/A SER 141.A OG ALA 138.A O no hydrogen 3.082 N/A GLN 142.A N LYS 172.A O no hydrogen 3.166 N/A ILE 144.A N LEU 170.A O no hydrogen 2.665 N/A HIS 149.A N GLU 145.A O no hydrogen 3.065 N/A HIS 149.A ND1 TYR 210.A OH no hydrogen 2.714 N/A HIS 149.A NE2 GLN 206.A OE1 no hydrogen 3.079 N/A TYR 150.A N ILE 146.A O no hydrogen 3.261 N/A TYR 150.A OH PHE 164.A O no hydrogen 3.375 N/A TYR 150.A OH GLN 206.A OE1 no hydrogen 2.842 N/A ARG 151.A N GLU 147.A O no hydrogen 3.018 N/A ARG 151.A NH2 ARG 151.A O no hydrogen 3.289 N/A GLU 152.A N GLU 148.A O no hydrogen 2.927 N/A TYR 153.A N HIS 149.A O no hydrogen 3.201 N/A ARG 154.A N TYR 150.A O no hydrogen 3.075 N/A SER 155.A N ARG 151.A O no hydrogen 3.154 N/A SER 155.A OG ARG 151.A O no hydrogen 3.287 N/A SER 155.A OG GLU 152.A O no hydrogen 2.897 N/A LYS 156.A N TYR 153.A O no hydrogen 3.149 N/A LYS 156.A NZ GLU 152.A OE1 no hydrogen 2.829 N/A GLY 157.A N TYR 153.A O no hydrogen 3.098 N/A GLY 157.A N ARG 154.A O no hydrogen 3.274 N/A ILE 158.A N TYR 153.A O no hydrogen 2.964 N/A ASP 159.A N GLN 37.A O no hydrogen 2.841 N/A GLY 161.A N HIS 35.A O no hydrogen 2.699 N/A SER 162.A OG GLU 186.A OE1 no hydrogen 3.377 N/A SER 162.A OG GLU 186.A OE2 no hydrogen 2.661 N/A SER 163.A N HIS 35.A ND1 no hydrogen 2.959 N/A SER 163.A OG HIS 35.A ND1 no hydrogen 2.924 N/A SER 163.A OG GLU 186.A OE1 no hydrogen 2.804 N/A PHE 164.A N GLY 161.A O no hydrogen 3.191 N/A GLN 165.A N SER 162.A O no hydrogen 3.097 N/A GLN 165.A NE2 TYR 160.A O no hydrogen 2.662 N/A LYS 168.A N GLU 180.A O no hydrogen 2.751 N/A GLN 169.A N GLU 180.A O no hydrogen 3.372 N/A TRP 171.A N LEU 178.A O no hydrogen 2.764 N/A LYS 172.A N GLN 142.A O no hydrogen 2.749 N/A GLY 173.A N LYS 176.A O no hydrogen 2.973 N/A LYS 176.A NZ GLU 139.A OE1 no hydrogen 3.263 N/A LYS 176.A NZ GLU 139.A OE2 no hydrogen 3.317 N/A ALA 177.A N ALA 241.A O no hydrogen 2.934 N/A LEU 178.A N TRP 171.A O no hydrogen 2.976 N/A GLY 179.A N ALA 239.A O no hydrogen 2.786 N/A GLU 180.A N GLN 169.A O no hydrogen 2.799 N/A MET 181.A N VAL 237.A O no hydrogen 2.962 N/A ALA 182.A N GLY 166.A O no hydrogen 2.823 N/A LEU 187.A N PRO 184.A O no hydrogen 2.902 N/A THR 188.A N GLU 185.A O no hydrogen 3.371 N/A THR 188.A OG1 GLU 185.A O no hydrogen 2.812 N/A GLN 190.A N LEU 187.A O no hydrogen 3.079 N/A ASP 193.A N GLN 190.A O no hydrogen 3.052 N/A TYR 194.A N LEU 191.A O no hydrogen 3.380 N/A TYR 194.A OH TYR 32.A OH no hydrogen 2.752 N/A GLN 195.A N GLU 51.A OE1 no hydrogen 2.945 N/A LEU 196.A N GLU 51.A OE2 no hydrogen 2.954 N/A HIS 197.A NE2 GLN 190.A OE1 no hydrogen 2.794 N/A ALA 199.A N HIS 197.A ND1 no hydrogen 3.151 N/A LEU 200.A N HIS 197.A O no hydrogen 3.011 N/A LEU 201.A N HIS 197.A O no hydrogen 3.260 N/A ASP 202.A N PRO 198.A O no hydrogen 2.918 N/A ALA 203.A N ALA 199.A O no hydrogen 3.071 N/A PHE 205.A N LEU 201.A O no hydrogen 2.870 N/A GLN 206.A N ASP 202.A O no hydrogen 2.910 N/A GLN 206.A NE2 PHE 164.A O no hydrogen 2.825 N/A GLN 206.A NE2 ASP 202.A OD1 no hydrogen 3.074 N/A ILE 207.A N ALA 204.A O no hydrogen 3.128 N/A VAL 208.A N PHE 205.A O no hydrogen 3.161 N/A TYR 210.A N ILE 207.A O no hydrogen 3.116 N/A TYR 210.A OH HIS 149.A ND1 no hydrogen 2.714 N/A ALA 211.A N VAL 208.A O no hydrogen 2.878 N/A THR 215.A OG1 GLU 214.A OE2 no hydrogen 2.490 N/A TYR 219.A OH GLU 214.A OE2 no hydrogen 2.694 N/A LEU 220.A N LYS 271.A O no hydrogen 2.796 N/A VAL 222.A N ARG 269.A O no hydrogen 2.755 N/A GLY 223.A N ARG 269.A O no hydrogen 3.392 N/A VAL 224.A N VAL 72.A O no hydrogen 3.065 N/A GLU 225.A N GLY 267.A O no hydrogen 3.248 N/A LYS 226.A N GLU 266.A O no hydrogen 2.972 N/A PHE 227.A N VAL 69.A O no hydrogen 2.615 N/A LYS 228.A N GLU 264.A O no hydrogen 2.805 N/A LYS 228.A NZ GLU 122.A OE2 no hydrogen 3.144 N/A TYR 230.A N LEU 262.A O no hydrogen 2.834 N/A TYR 230.A OH GLU 264.A OE1 no hydrogen 2.533 N/A ARG 231.A N LEU 262.A O no hydrogen 3.331 N/A GLN 232.A NE2 GLN 195.A O no hydrogen 3.613 N/A TRP 238.A N VAL 255.A O no hydrogen 3.105 N/A TRP 238.A NE1 ASN 257.A OD1 no hydrogen 2.773 N/A ALA 239.A N GLY 179.A O no hydrogen 2.740 N/A ILE 240.A N PHE 253.A O no hydrogen 2.864 N/A ALA 241.A N ALA 177.A O no hydrogen 2.874 N/A GLU 242.A N ASN 251.A O no hydrogen 2.950 N/A ILE 243.A N GLY 175.A O no hydrogen 2.867 N/A ARG 244.A N THR 249.A O no hydrogen 3.050 N/A ARG 244.A NH1 GLU 225.A OE1 no hydrogen 3.527 N/A ARG 244.A NH1 GLU 225.A OE2 no hydrogen 2.926 N/A ARG 244.A NH2 GLU 225.A OE1 no hydrogen 3.247 N/A ARG 244.A NH2 ASN 251.A OD1 no hydrogen 3.154 N/A THR 249.A N THR 246.A O no hydrogen 3.217 N/A THR 249.A OG1 ASN 247.A O no hydrogen 3.059 N/A ALA 250.A N LEU 268.A O no hydrogen 2.885 N/A ASN 251.A N GLU 242.A O no hydrogen 2.944 N/A ILE 252.A N LEU 265.A O no hydrogen 2.799 N/A PHE 253.A N ILE 240.A O no hydrogen 2.835 N/A LEU 254.A N VAL 263.A O no hydrogen 2.825 N/A VAL 255.A N TRP 238.A O no hydrogen 2.868 N/A ASP 256.A N THR 260.A O no hydrogen 2.697 N/A GLY 259.A N ASP 256.A O no hydrogen 3.183 N/A VAL 261.A N ALA 129.A O no hydrogen 3.050 N/A LEU 262.A N LEU 254.A O no hydrogen 2.724 N/A VAL 263.A N LEU 254.A O no hydrogen 3.084 N/A GLU 264.A N LYS 228.A O no hydrogen 2.813 N/A LEU 265.A N ILE 252.A O no hydrogen 2.736 N/A GLU 266.A N LYS 226.A O no hydrogen 2.763 N/A GLY 267.A N ASN 251.A OD1 no hydrogen 2.920 N/A LEU 268.A N ALA 250.A O no hydrogen 2.790 N/A ARG 269.A N GLY 223.A O no hydrogen 2.907 N/A VAL 270.A N LEU 248.A O no hydrogen 2.926 N/A LYS 271.A N LEU 220.A O no hydrogen 2.798 N/A THR 273.A N ILE 218.A O no hydrogen 3.013 N/A