Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5jfc_S.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 3.A N ILE 83.A O no hydrogen 2.887 N/A ILE 5.A N ASP 81.A O no hydrogen 2.920 N/A LEU 6.A N GLU 19.A O no hydrogen 2.714 N/A ARG 7.A N GLU 19.A O no hydrogen 3.302 N/A ARG 7.A NE GLU 19.A OE2 no hydrogen 3.078 N/A ARG 7.A NH1 GLU 9.A OE1 no hydrogen 2.994 N/A LYS 8.A NZ GLY 75.A O no hydrogen 2.747 N/A LYS 8.A NZ TYR 77.A O no hydrogen 2.751 N/A GLU 9.A N LEU 17.A O no hydrogen 2.944 N/A LEU 11.A N ILE 15.A O no hydrogen 2.919 N/A ILE 15.A N ALA 12.A O no hydrogen 2.918 N/A ASN 16.A N ALA 64.A O no hydrogen 3.058 N/A ASN 16.A ND2 GLU 66.A OE1 no hydrogen 2.809 N/A LEU 17.A N GLU 9.A O no hydrogen 2.813 N/A PHE 18.A N ILE 62.A O no hydrogen 2.844 N/A GLU 19.A N ARG 7.A O no hydrogen 2.908 N/A ILE 20.A N ILE 60.A O no hydrogen 2.796 N/A GLU 21.A N LYS 4.A O no hydrogen 2.872 N/A SER 22.A N GLY 58.A O no hydrogen 2.848 N/A ALA 26.A N SER 22.A O no hydrogen 2.939 N/A LYS 27.A N PRO 23.A O no hydrogen 2.956 N/A HIS 28.A N ARG 24.A O no hydrogen 3.244 N/A HIS 28.A N ILE 25.A O no hydrogen 3.126 N/A HIS 28.A ND1 ARG 24.A O no hydrogen 2.755 N/A ALA 29.A N ILE 25.A O no hydrogen 2.856 N/A LYS 30.A N GLN 33.A OE1 no hydrogen 2.860 N/A GLN 33.A N LYS 30.A O no hydrogen 3.146 N/A GLN 33.A NE2 GLY 91.A O no hydrogen 2.864 N/A PHE 34.A N LEU 90.A O no hydrogen 2.991 N/A VAL 35.A N LEU 48.A O no hydrogen 2.814 N/A MET 36.A N LEU 87.A O no hydrogen 3.000 N/A ILE 37.A N ILE 46.A O no hydrogen 2.875 N/A ARG 38.A N ASP 85.A O no hydrogen 2.955 N/A ARG 38.A NE ASP 85.A OD2 no hydrogen 2.692 N/A ARG 38.A NH2 ASP 85.A OD2 no hydrogen 2.787 N/A HIS 40.A NE2 GLU 73.A OE1 no hydrogen 2.899 N/A LYS 42.A N HIS 40.A ND1 no hydrogen 3.202 N/A LYS 42.A NZ GLU 41.A OE1 no hydrogen 3.222 N/A GLY 43.A N HIS 40.A O no hydrogen 2.945 N/A ARG 45.A NE VAL 217.A O no hydrogen 2.803 N/A ARG 45.A NH2 ASP 218.A O no hydrogen 2.886 N/A ILE 46.A N ILE 37.A O no hydrogen 2.925 N/A LEU 48.A N VAL 35.A O no hydrogen 2.918 N/A THR 49.A OG1 GLU 113.A OE2 no hydrogen 2.659 N/A ILE 50.A N GLN 33.A O no hydrogen 2.991 N/A ALA 51.A N THR 61.A O no hydrogen 2.773 N/A ASP 52.A N THR 61.A O no hydrogen 3.350 N/A VAL 53.A N ASP 52.A OD1 no hydrogen 3.015 N/A ASP 54.A N SER 59.A O no hydrogen 2.911 N/A SER 56.A OG ASP 54.A OD1 no hydrogen 2.676 N/A LYS 57.A N ASP 54.A O no hydrogen 3.149 N/A LYS 57.A N ASP 54.A OD1 no hydrogen 3.156 N/A LYS 57.A NZ GLU 19.A OE1 no hydrogen 3.010 N/A LYS 57.A NZ GLU 19.A OE2 no hydrogen 3.393 N/A GLY 58.A N ILE 55.A O no hydrogen 2.949 N/A SER 59.A N ASP 54.A O no hydrogen 2.977 N/A SER 59.A OG GLU 19.A OE1 no hydrogen 2.634 N/A ILE 60.A N ILE 20.A O no hydrogen 2.964 N/A THR 61.A N ASP 52.A O no hydrogen 2.884 N/A ILE 62.A N PHE 18.A O no hydrogen 2.960 N/A ALA 64.A N ASN 16.A O no hydrogen 2.860 N/A GLU 66.A N GLY 14.A O no hydrogen 2.749 N/A VAL 67.A N THR 71.A OG1 no hydrogen 2.890 N/A LYS 69.A NZ GLU 73.A OE1 no hydrogen 2.745 N/A THR 70.A OG1 GLU 44.A OE1 no hydrogen 2.708 N/A THR 71.A OG1 GLN 65.A O no hydrogen 3.255 N/A THR 71.A OG1 GLY 68.A O no hydrogen 3.468 N/A ARG 72.A N GLY 68.A O no hydrogen 2.874 N/A ARG 72.A NH1 GLU 273.A OE2 no hydrogen 3.162 N/A ARG 72.A NH2 GLU 273.A OE2 no hydrogen 3.491 N/A GLU 73.A N LYS 69.A O no hydrogen 2.910 N/A LEU 74.A N THR 70.A O no hydrogen 2.873 N/A GLY 75.A N THR 71.A O no hydrogen 2.981 N/A THR 76.A N GLU 73.A O no hydrogen 3.018 N/A THR 76.A OG1 GLU 73.A O no hydrogen 2.711 N/A TYR 77.A N LEU 74.A O no hydrogen 2.909 N/A GLU 78.A N ASP 81.A OD2 no hydrogen 2.821 N/A GLY 80.A N ILE 5.A O no hydrogen 2.831 N/A ASP 81.A N GLU 78.A O no hydrogen 2.988 N/A ILE 83.A N PHE 3.A O no hydrogen 2.878 N/A LEU 84.A N LEU 39.A O no hydrogen 3.358 N/A ASP 85.A N ARG 38.A O no hydrogen 3.046 N/A LEU 87.A N MET 36.A O no hydrogen 2.845 N/A LEU 90.A N PHE 34.A O no hydrogen 2.758 N/A LYS 92.A N GLY 241.A O no hydrogen 2.732 N/A LYS 92.A NZ ASP 240.A O no hydrogen 3.093 N/A SER 94.A N PRO 31.A O no hydrogen 2.867 N/A SER 94.A OG PRO 31.A O no hydrogen 3.218 N/A SER 94.A OG GLU 243.A OE1 no hydrogen 3.423 N/A SER 94.A OG GLU 243.A OE2 no hydrogen 2.569 N/A TYR 98.A N ASP 97.A OD1 no hydrogen 2.791 N/A PHE 99.A N ASN 126.A OD1 no hydrogen 2.755 N/A GLY 100.A N ASN 126.A OD1 no hydrogen 3.096 N/A THR 101.A N ASP 183.A OD2 no hydrogen 2.807 N/A VAL 102.A N TYR 127.A O no hydrogen 2.856 N/A VAL 103.A N LEU 184.A O no hydrogen 2.849 N/A MET 104.A N ILE 129.A O no hydrogen 2.785 N/A ILE 105.A N HIS 186.A O no hydrogen 2.790 N/A GLY 106.A N ILE 131.A O no hydrogen 2.962 N/A GLY 107.A N VAL 188.A O no hydrogen 2.912 N/A GLY 108.A N GLY 133.A O no hydrogen 2.802 N/A GLY 110.A N GLY 107.A O no hydrogen 2.892 N/A VAL 111.A N GLY 108.A O no hydrogen 2.976 N/A ALA 112.A N VAL 109.A O no hydrogen 2.885 N/A GLU 113.A N VAL 109.A O no hydrogen 3.255 N/A ILE 114.A N GLY 110.A O no hydrogen 2.897 N/A TYR 115.A N ALA 112.A O no hydrogen 3.239 N/A ALA 118.A N ILE 114.A O no hydrogen 2.796 N/A LYS 119.A N TYR 115.A O no hydrogen 2.928 N/A LYS 119.A NZ TYR 115.A OH no hydrogen 3.566 N/A ALA 120.A N PRO 116.A O no hydrogen 2.985 N/A MET 121.A N VAL 117.A O no hydrogen 2.828 N/A LYS 122.A N ALA 118.A O no hydrogen 2.907 N/A GLU 123.A N LYS 119.A O no hydrogen 2.943 N/A LYS 124.A N ALA 120.A O no hydrogen 3.030 N/A LYS 124.A N MET 121.A O no hydrogen 3.226 N/A LYS 124.A NZ ILE 96.A O no hydrogen 3.116 N/A GLY 125.A N LYS 122.A O no hydrogen 2.962 N/A ASN 126.A N MET 121.A O no hydrogen 3.153 N/A ASN 126.A ND2 ASP 97.A O no hydrogen 2.939 N/A ASN 126.A ND2 MET 121.A O no hydrogen 2.907 N/A TYR 127.A N GLY 100.A O no hydrogen 2.930 N/A TYR 127.A OH GLU 152.A OE2 no hydrogen 2.531 N/A VAL 128.A N ASP 151.A OD2 no hydrogen 2.908 N/A ILE 129.A N VAL 102.A O no hydrogen 2.940 N/A SER 130.A N GLU 152.A O no hydrogen 2.886 N/A SER 130.A OG SER 150.A OG no hydrogen 2.774 N/A ILE 131.A N MET 104.A O no hydrogen 2.737 N/A LEU 132.A N ILE 154.A O no hydrogen 2.855 N/A GLY 133.A N GLY 106.A O no hydrogen 2.776 N/A PHE 134.A N THR 156.A O no hydrogen 2.942 N/A THR 136.A OG1 ASP 159.A OD1 no hydrogen 3.558 N/A THR 136.A OG1 ASP 159.A OD2 no hydrogen 2.633 N/A THR 136.A OG1 SER 161.A OG no hydrogen 3.281 N/A LYS 137.A N SER 161.A OG no hydrogen 2.875 N/A LEU 139.A N THR 136.A O no hydrogen 3.005 N/A VAL 140.A N LYS 137.A O no hydrogen 3.033 N/A LYS 145.A NZ ASP 52.A OD2 no hydrogen 3.411 N/A LEU 146.A N TRP 142.A O no hydrogen 2.905 N/A ARG 147.A N GLU 143.A O no hydrogen 2.908 N/A ARG 147.A NH2 GLU 143.A OE1 no hydrogen 2.738 N/A SER 148.A N ASP 144.A O no hydrogen 2.929 N/A SER 148.A N LYS 145.A O no hydrogen 3.219 N/A SER 148.A OG LYS 145.A O no hydrogen 2.569 N/A VAL 149.A N LEU 146.A O no hydrogen 3.082 N/A SER 150.A N ARG 147.A O no hydrogen 3.252 N/A SER 150.A OG SER 130.A OG no hydrogen 2.774 N/A SER 150.A OG LEU 146.A O no hydrogen 2.681 N/A ASP 151.A N VAL 128.A O no hydrogen 2.709 N/A GLU 152.A N VAL 128.A O no hydrogen 3.198 N/A ILE 154.A N SER 130.A O no hydrogen 2.823 N/A THR 156.A N LEU 132.A O no hydrogen 2.845 N/A THR 156.A OG1 LEU 132.A O no hydrogen 3.013 N/A THR 157.A N MET 164.A O no hydrogen 2.955 N/A THR 157.A OG1 TYR 162.A O no hydrogen 2.608 N/A ASN 158.A N PHE 134.A O no hydrogen 3.046 N/A GLY 160.A N THR 157.A O no hydrogen 3.111 N/A SER 161.A N ASP 159.A OD1 no hydrogen 3.022 N/A SER 161.A OG THR 136.A OG1 no hydrogen 3.281 N/A SER 161.A OG ASP 159.A OD1 no hydrogen 2.674 N/A TYR 162.A N THR 157.A OG1 no hydrogen 3.112 N/A TYR 162.A OH GLU 143.A OE2 no hydrogen 2.652 N/A MET 164.A N VAL 155.A O no hydrogen 2.843 N/A GLY 166.A N THR 157.A O no hydrogen 2.932 N/A HIS 170.A N PHE 167.A O no hydrogen 2.852 N/A ALA 171.A N PHE 167.A O no hydrogen 3.315 N/A LEU 172.A N THR 168.A O no hydrogen 3.000 N/A GLN 173.A N THR 169.A O no hydrogen 2.848 N/A GLN 173.A NE2 GLU 177.A OE2 no hydrogen 2.887 N/A LYS 174.A N HIS 170.A O no hydrogen 3.003 N/A LEU 175.A N ALA 171.A O no hydrogen 3.087 N/A ILE 176.A N LEU 172.A O no hydrogen 3.007 N/A GLU 177.A N GLN 173.A O no hydrogen 2.881 N/A GLU 178.A N LYS 174.A O no hydrogen 2.916 N/A GLY 179.A N ILE 176.A O no hydrogen 2.909 N/A ARG 180.A N LEU 175.A O no hydrogen 3.112 N/A ARG 180.A NH1 GLU 152.A OE1 no hydrogen 3.097 N/A ARG 180.A NH1 GLU 152.A OE2 no hydrogen 3.539 N/A ARG 180.A NH2 GLU 152.A OE2 no hydrogen 2.802 N/A LYS 181.A NZ ASP 183.A OD2 no hydrogen 2.747 N/A ASP 183.A N THR 101.A O no hydrogen 2.830 N/A LEU 184.A N THR 101.A O no hydrogen 3.176 N/A VAL 185.A N LYS 207.A O no hydrogen 2.866 N/A HIS 186.A N VAL 103.A O no hydrogen 2.907 N/A ALA 187.A N VAL 209.A O no hydrogen 2.840 N/A VAL 188.A N ILE 105.A O no hydrogen 2.907 N/A MET 194.A N PRO 190.A O no hydrogen 2.981 N/A LYS 195.A N ALA 191.A O no hydrogen 2.900 N/A LYS 195.A NZ ASP 252.A OD1 no hydrogen 2.843 N/A ALA 196.A N ILE 192.A O no hydrogen 3.075 N/A VAL 197.A N MET 193.A O no hydrogen 2.880 N/A ALA 198.A N MET 194.A O no hydrogen 2.923 N/A GLU 199.A N LYS 195.A O no hydrogen 2.902 N/A LEU 200.A N ALA 196.A O no hydrogen 3.025 N/A THR 201.A N VAL 197.A O no hydrogen 3.003 N/A THR 201.A OG1 VAL 197.A O no hydrogen 3.289 N/A THR 201.A OG1 ALA 198.A O no hydrogen 3.268 N/A THR 201.A OG1 THR 208.A OG1 no hydrogen 2.772 N/A THR 201.A OG1 HIS 247.A NE2 no hydrogen 2.755 N/A LYS 202.A N ALA 198.A O no hydrogen 2.988 N/A TYR 204.A N THR 201.A O no hydrogen 3.013 N/A GLY 205.A N LYS 202.A O no hydrogen 2.990 N/A ILE 206.A N THR 201.A O no hydrogen 3.510 N/A THR 208.A OG1 THR 201.A OG1 no hydrogen 2.772 N/A THR 208.A OG1 ILE 206.A O no hydrogen 2.814 N/A VAL 209.A N VAL 185.A O no hydrogen 2.824 N/A ALA 210.A N PHE 244.A O no hydrogen 3.004 N/A SER 211.A N ALA 187.A O no hydrogen 3.165 N/A LEU 212.A N PRO 242.A O no hydrogen 2.853 N/A THR 220.A N ASP 218.A OD2 no hydrogen 2.913 N/A THR 220.A OG1 ASP 218.A OD2 no hydrogen 2.802 N/A MET 222.A N ASP 218.A OD2 no hydrogen 3.024 N/A CYS 223.A SG ASP 218.A OD1 no hydrogen 3.203 N/A ARG 227.A N GLY 224.A O no hydrogen 3.059 N/A ARG 227.A NH1 GLY 224.A O no hydrogen 2.943 N/A VAL 228.A N LYS 235.A O no hydrogen 2.870 N/A THR 229.A OG1 GLN 253.A OE1 no hydrogen 2.920 N/A VAL 230.A N GLU 233.A O no hydrogen 2.864 N/A GLY 231.A N LEU 248.A O no hydrogen 2.800 N/A GLU 233.A N VAL 230.A O no hydrogen 2.997 N/A LYS 235.A N VAL 228.A O no hydrogen 2.923 N/A LYS 235.A NZ GLU 233.A OE1 no hydrogen 3.559 N/A PHE 236.A N ASP 240.A OD2 no hydrogen 2.891 N/A ALA 237.A N CYS 226.A O no hydrogen 3.175 N/A VAL 239.A N PHE 236.A O no hydrogen 3.263 N/A ASP 240.A N PHE 236.A O no hydrogen 2.803 N/A GLY 241.A N ALA 237.A O no hydrogen 2.966 N/A PHE 244.A N ALA 210.A O no hydrogen 3.008 N/A ALA 246.A N THR 208.A O no hydrogen 2.843 N/A HIS 247.A N ASP 245.A OD1 no hydrogen 2.932 N/A HIS 247.A NE2 THR 201.A OG1 no hydrogen 2.755 N/A LEU 248.A N ASP 245.A O no hydrogen 2.992 N/A VAL 249.A N ALA 246.A O no hydrogen 3.499 N/A ASP 250.A N THR 229.A O no hydrogen 2.962 N/A TRP 251.A NE1 ALA 246.A O no hydrogen 2.975 N/A GLN 253.A N ASP 250.A OD1 no hydrogen 3.052 N/A GLN 253.A NE2 THR 229.A OG1 no hydrogen 3.118 N/A LEU 254.A N ASP 250.A O no hydrogen 3.088 N/A MET 255.A N TRP 251.A O no hydrogen 2.961 N/A ASN 256.A N ASP 252.A O no hydrogen 2.893 N/A ARG 257.A N GLN 253.A O no hydrogen 2.904 N/A ARG 257.A NH2 ALA 225.A O no hydrogen 3.227 N/A LEU 258.A N LEU 254.A O no hydrogen 2.933 N/A ALA 259.A N MET 255.A O no hydrogen 3.191 N/A ALA 259.A N ASN 256.A O no hydrogen 3.144 N/A TYR 260.A N ARG 257.A O no hydrogen 3.297 N/A ARG 262.A N ALA 259.A O no hydrogen 3.210 N/A GLU 265.A N TYR 261.A O no hydrogen 2.834 N/A LYS 266.A N ARG 262.A O no hydrogen 3.013 N/A ILE 267.A N ASP 263.A O no hydrogen 3.008 N/A SER 268.A N LEU 264.A O no hydrogen 2.924 N/A LEU 269.A N GLU 265.A O no hydrogen 3.024 N/A GLU 270.A N LYS 266.A O no hydrogen 2.864 N/A LYS 271.A N ILE 267.A O no hydrogen 2.977 N/A LYS 271.A NZ GLU 275.A OE1 no hydrogen 3.111 N/A LYS 271.A NZ GLU 275.A OE2 no hydrogen 3.233 N/A TRP 272.A N SER 268.A O no hydrogen 3.062 N/A GLU 273.A N LEU 269.A O no hydrogen 2.949 N/A ARG 274.A N GLU 270.A O no hydrogen 2.825 N/A GLU 275.A N LYS 271.A O no hydrogen 2.975 N/A ARG 276.A N GLU 273.A O no hydrogen 3.166 N/A ARG 277.A N ARG 274.A O no hydrogen 3.447 N/A ARG 277.A NE ARG 274.A O no hydrogen 2.746 N/A ARG 277.A NH2 ARG 274.A O no hydrogen 3.539 N/A