Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k85_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 1.A N ILE 295.A O no hydrogen 3.183 N/A VAL 2.A N ILE 43.A O no hydrogen 2.798 N/A ARG 3.A N TRP 293.A O no hydrogen 2.886 N/A SER 4.A N CYS 41.A O no hydrogen 2.851 N/A SER 4.A OG CYS 118.A O no hydrogen 2.732 N/A LYS 5.A N HIS 291.A O no hydrogen 3.108 N/A ALA 6.A N ALA 39.A O no hydrogen 2.989 N/A LEU 8.A N LEU 37.A O no hydrogen 2.799 N/A ARG 9.A N LEU 110.A O no hydrogen 3.264 N/A ARG 9.A NE ASP 156.A OD1 no hydrogen 2.964 N/A ARG 9.A NH1 ARG 9.A O no hydrogen 3.174 N/A ARG 9.A NH1 GLY 109.A O no hydrogen 3.066 N/A ARG 9.A NH2 ASP 156.A OD1 no hydrogen 2.681 N/A ARG 9.A NH2 ASP 156.A OD2 no hydrogen 3.500 N/A LEU 10.A N ALA 33.A O no hydrogen 2.910 N/A ALA 13.A N LEU 31.A O no hydrogen 2.991 N/A GLY 16.A N ASP 18.A OD1 no hydrogen 2.972 N/A SER 17.A N GLY 14.A O no hydrogen 2.984 N/A SER 17.A OG GLY 14.A O no hydrogen 2.895 N/A SER 17.A OG LEU 29.A O no hydrogen 2.788 N/A VAL 19.A N GLY 16.A O no hydrogen 3.076 N/A SER 20.A OG ASP 24.A OD2 no hydrogen 2.633 N/A TYR 22.A OH HIS 204.A ND1 no hydrogen 2.757 N/A SER 23.A N VAL 19.A O no hydrogen 2.837 N/A SER 23.A OG ASP 18.A O no hydrogen 3.505 N/A ILE 25.A N PRO 21.A O no hydrogen 2.877 N/A TYR 26.A N TYR 22.A O no hydrogen 3.063 N/A GLY 27.A N TYR 22.A O no hydrogen 3.414 N/A GLY 28.A N PHE 169.A O no hydrogen 2.509 N/A LEU 29.A N SER 17.A OG no hydrogen 2.881 N/A LEU 31.A N ALA 13.A O no hydrogen 3.025 N/A ASN 32.A N ASN 166.A O no hydrogen 3.148 N/A ASN 32.A ND2 GLN 155.A OE1 no hydrogen 3.042 N/A ALA 33.A N LEU 10.A O no hydrogen 3.218 N/A THR 34.A N GLY 164.A O no hydrogen 3.208 N/A THR 34.A OG1 ILE 286.A O no hydrogen 2.740 N/A ILE 35.A N LEU 8.A O no hydrogen 2.913 N/A ASN 36.A N GLN 284.A O no hydrogen 2.688 N/A LEU 37.A N ILE 35.A O no hydrogen 2.733 N/A TYR 38.A N ASP 103.A OD2 no hydrogen 3.053 N/A ALA 39.A N ALA 6.A O no hydrogen 2.873 N/A TYR 40.A N TYR 101.A O no hydrogen 2.909 N/A TYR 40.A OH ASP 103.A OD2 no hydrogen 2.844 N/A CYS 41.A N SER 4.A O no hydrogen 3.039 N/A CYS 41.A SG THR 99.A O no hydrogen 3.885 N/A THR 42.A N THR 99.A O no hydrogen 3.226 N/A ILE 43.A N VAL 2.A O no hydrogen 2.804 N/A GLU 44.A N LYS 97.A O no hydrogen 2.990 N/A THR 46.A N SER 95.A O no hydrogen 2.961 N/A SER 48.A N THR 46.A OG1 no hydrogen 3.234 N/A GLY 49.A N SER 95.A OG no hydrogen 2.745 N/A ARG 50.A N SER 48.A OG no hydrogen 3.147 N/A ILE 51.A N TYR 64.A O no hydrogen 2.983 N/A GLU 52.A N PHE 96.A O no hydrogen 2.984 N/A ILE 53.A N LYS 62.A O no hydrogen 2.934 N/A ASN 54.A N ILE 98.A O no hydrogen 3.016 N/A ASN 54.A ND2 TYR 56.A OH no hydrogen 2.916 N/A ALA 55.A N CYS 60.A O no hydrogen 2.891 N/A TYR 56.A N THR 100.A O no hydrogen 2.663 N/A CYS 60.A N ALA 55.A O no hydrogen 3.073 N/A LYS 62.A N ILE 53.A O no hydrogen 3.106 N/A TYR 64.A N ILE 51.A O no hydrogen 3.053 N/A SER 66.A N GLY 49.A O no hydrogen 3.232 N/A SER 66.A OG LYS 94.A O no hydrogen 2.543 N/A LEU 69.A N ASN 83.A OD1 no hydrogen 2.655 N/A LYS 79.A N ALA 75.A O no hydrogen 2.978 N/A LYS 79.A NZ TYR 64.A OH no hydrogen 3.069 N/A LYS 79.A NZ ASP 72.A OD2 no hydrogen 2.959 N/A LYS 79.A NZ GLU 74.A O no hydrogen 2.616 N/A GLY 80.A N SER 76.A O no hydrogen 2.531 N/A VAL 81.A N LEU 77.A O no hydrogen 3.040 N/A TYR 82.A N ILE 78.A O no hydrogen 2.855 N/A ASN 83.A N LYS 79.A O no hydrogen 2.823 N/A ASN 83.A ND2 LEU 69.A O no hydrogen 2.916 N/A ARG 84.A N GLY 80.A O no hydrogen 2.975 N/A ILE 85.A N VAL 81.A O no hydrogen 2.943 N/A ILE 86.A N TYR 82.A O no hydrogen 3.027 N/A ARG 87.A N ASN 83.A O no hydrogen 2.883 N/A ARG 87.A NH2 ASP 147.A OD2 no hydrogen 3.025 N/A ASP 88.A N ARG 84.A O no hydrogen 2.860 N/A TYR 89.A N ILE 85.A O no hydrogen 3.210 N/A ARG 90.A N ARG 87.A O no hydrogen 2.922 N/A LEU 91.A N ILE 86.A O no hydrogen 2.995 N/A LYS 94.A N TYR 82.A OH no hydrogen 3.117 N/A SER 95.A OG THR 46.A O no hydrogen 3.235 N/A SER 95.A OG ARG 50.A O no hydrogen 2.867 N/A PHE 96.A N ARG 50.A O no hydrogen 3.076 N/A LYS 97.A N GLU 44.A O no hydrogen 2.923 N/A ILE 98.A N GLU 52.A O no hydrogen 2.938 N/A THR 99.A N THR 42.A O no hydrogen 2.985 N/A THR 100.A N ASN 54.A O no hydrogen 2.879 N/A TYR 101.A N TYR 40.A O no hydrogen 3.415 N/A ASP 103.A N TYR 38.A O no hydrogen 2.973 N/A ALA 104.A N ASN 102.A OD1 no hydrogen 2.877 N/A SER 108.A OG PRO 105.A O no hydrogen 2.848 N/A THR 112.A OG1 PRO 105.A O no hydrogen 3.140 N/A SER 113.A OG GLU 144.A OE2 no hydrogen 2.898 N/A SER 114.A OG GLU 144.A OE1 no hydrogen 2.782 N/A SER 114.A OG GLU 144.A OE2 no hydrogen 3.450 N/A THR 115.A N GLY 111.A O no hydrogen 2.913 N/A THR 115.A OG1 PRO 7.A O no hydrogen 3.016 N/A THR 115.A OG1 GLY 111.A O no hydrogen 3.178 N/A VAL 117.A N SER 114.A O no hydrogen 2.985 N/A CYS 118.A N THR 115.A O no hydrogen 2.890 N/A CYS 118.A SG SER 4.A OG no hydrogen 3.107 N/A CYS 118.A SG ALA 39.A O no hydrogen 3.244 N/A LEU 120.A N VAL 116.A O no hydrogen 2.830 N/A LYS 121.A N VAL 117.A O no hydrogen 2.763 N/A ALA 122.A N CYS 118.A O no hydrogen 2.984 N/A PHE 123.A N ILE 119.A O no hydrogen 3.027 N/A ILE 124.A N LEU 120.A O no hydrogen 2.711 N/A GLU 125.A N LYS 121.A O no hydrogen 2.878 N/A TRP 126.A N ALA 122.A O no hydrogen 2.731 N/A LEU 127.A N PHE 123.A O no hydrogen 2.624 N/A LEU 129.A N ILE 124.A O no hydrogen 3.165 N/A LEU 131.A N LEU 129.A O no hydrogen 2.879 N/A GLY 132.A N GLU 135.A OE1 no hydrogen 3.102 N/A THR 136.A N GLY 132.A O no hydrogen 2.791 N/A THR 136.A OG1 GLY 132.A O no hydrogen 2.945 N/A SER 137.A N ASP 133.A O no hydrogen 3.008 N/A SER 137.A OG ASP 133.A O no hydrogen 3.058 N/A ARG 138.A N TYR 134.A O no hydrogen 3.154 N/A LEU 139.A N GLU 135.A O no hydrogen 2.869 N/A ALA 140.A N THR 136.A O no hydrogen 2.913 N/A TYR 141.A N SER 137.A O no hydrogen 2.901 N/A GLU 142.A N ARG 138.A O no hydrogen 2.961 N/A ILE 143.A N LEU 139.A O no hydrogen 2.958 N/A GLU 144.A N ALA 140.A O no hydrogen 3.077 N/A ARG 145.A N TYR 141.A O no hydrogen 2.840 N/A ARG 145.A NH2 SER 151.A O no hydrogen 3.506 N/A LYS 146.A N GLU 142.A O no hydrogen 3.057 N/A ASP 147.A N GLU 142.A O no hydrogen 3.173 N/A GLY 149.A N LYS 146.A O no hydrogen 2.869 N/A LYS 154.A N ASP 18.A OD2 no hydrogen 2.880 N/A LYS 154.A NZ ASP 18.A O no hydrogen 2.449 N/A LYS 154.A NZ SER 20.A OG no hydrogen 3.033 N/A LYS 154.A NZ SER 23.A OG no hydrogen 2.601 N/A GLN 155.A N ASP 18.A OD2 no hydrogen 3.240 N/A GLN 157.A N GLN 157.A OE1 no hydrogen 2.657 N/A ALA 159.A N GLN 155.A O no hydrogen 2.910 N/A ALA 160.A N ASP 156.A O no hydrogen 3.189 N/A ALA 161.A N GLN 157.A O no hydrogen 3.266 N/A PHE 162.A N TYR 158.A O no hydrogen 2.899 N/A GLY 163.A N ALA 159.A O no hydrogen 2.884 N/A GLY 164.A N THR 34.A OG1 no hydrogen 2.837 N/A ASN 166.A N ASN 32.A O no hydrogen 2.941 N/A TYR 167.A N ASN 178.A O no hydrogen 3.239 N/A PHE 169.A N GLY 28.A O no hydrogen 3.036 N/A LEU 170.A N LEU 174.A O no hydrogen 2.873 N/A GLN 171.A NE2 ILE 25.A O no hydrogen 2.965 N/A ILE 176.A N GLU 168.A O no hydrogen 2.895 N/A VAL 177.A N TYR 134.A OH no hydrogen 2.817 N/A ASN 178.A N TYR 167.A O no hydrogen 2.980 N/A ASN 178.A ND2 TYR 167.A O no hydrogen 3.075 N/A ASN 178.A ND2 GLU 168.A OE1 no hydrogen 3.028 N/A LEU 180.A N PHE 165.A O no hydrogen 2.882 N/A ILE 185.A N LYS 182.A O no hydrogen 3.034 N/A VAL 186.A N LYS 182.A O no hydrogen 3.280 N/A ASP 187.A N ARG 183.A O no hydrogen 2.901 N/A GLU 188.A N TRP 184.A O no hydrogen 2.872 N/A LEU 189.A N ILE 185.A O no hydrogen 2.772 N/A GLU 190.A N VAL 186.A O no hydrogen 2.822 N/A SER 191.A N ASP 187.A O no hydrogen 3.023 N/A SER 191.A OG ASP 187.A O no hydrogen 3.176 N/A SER 191.A OG GLU 188.A O no hydrogen 3.122 N/A SER 192.A N LEU 189.A O no hydrogen 3.055 N/A SER 192.A OG GLU 188.A O no hydrogen 2.792 N/A TYR 195.A N ILE 259.A O no hydrogen 2.962 N/A PHE 196.A N PHE 280.A O no hydrogen 3.214 N/A LYS 205.A N ALA 203.A O no hydrogen 3.166 N/A ILE 206.A N ALA 203.A O no hydrogen 3.199 N/A LYS 207.A NZ GLY 27.A O no hydrogen 2.961 N/A GLN 208.A N HIS 204.A O no hydrogen 3.131 N/A GLN 208.A NE2 ASP 212.A OD1 no hydrogen 3.125 N/A SER 209.A N LYS 205.A O no hydrogen 2.729 N/A SER 209.A OG ILE 206.A O no hydrogen 2.523 N/A ALA 210.A N LYS 207.A O no hydrogen 3.072 N/A ASP 212.A N GLN 208.A O no hydrogen 3.056 N/A THR 213.A N SER 209.A O no hydrogen 2.644 N/A THR 213.A OG1 SER 209.A O no hydrogen 2.823 N/A LYS 214.A N ALA 210.A O no hydrogen 3.023 N/A LEU 215.A N ILE 211.A O no hydrogen 3.261 N/A ALA 216.A N ASP 212.A O no hydrogen 2.996 N/A LEU 217.A N THR 213.A O no hydrogen 2.906 N/A LEU 218.A N LYS 214.A O no hydrogen 2.984 N/A LYS 219.A N ALA 216.A O no hydrogen 3.286 N/A GLY 220.A N LEU 217.A O no hydrogen 3.168 N/A ASP 221.A N ALA 216.A O no hydrogen 3.030 N/A VAL 222.A N GLY 220.A O no hydrogen 2.844 N/A GLU 224.A N ASP 221.A OD1 no hydrogen 2.539 N/A PHE 225.A N ASP 221.A O no hydrogen 3.217 N/A ALA 226.A N VAL 222.A O no hydrogen 2.853 N/A ARG 227.A N GLY 223.A O no hydrogen 2.965 N/A ARG 227.A NE GLU 224.A OE1 no hydrogen 3.266 N/A ARG 227.A NE GLU 224.A OE2 no hydrogen 3.100 N/A ARG 227.A NH2 GLU 224.A OE1 no hydrogen 2.897 N/A ILE 228.A N GLU 224.A O no hydrogen 3.010 N/A LEU 229.A N PHE 225.A O no hydrogen 3.008 N/A GLY 230.A N ALA 226.A O no hydrogen 2.770 N/A GLU 231.A N ARG 227.A O no hydrogen 2.616 N/A GLY 232.A N ILE 228.A O no hydrogen 2.965 N/A TRP 233.A N GLY 230.A O no hydrogen 2.898 N/A GLU 234.A N GLY 230.A O no hydrogen 3.220 N/A LYS 236.A N TRP 233.A O no hydrogen 2.794 N/A LYS 237.A N GLU 234.A O no hydrogen 3.332 N/A LYS 237.A NZ GLU 234.A OE1 no hydrogen 3.225 N/A LYS 238.A N ASN 235.A O no hydrogen 3.499 N/A ASP 242.A N ALA 240.A O no hydrogen 3.004 N/A GLY 246.A N ASP 242.A O no hydrogen 3.277 N/A GLY 246.A N VAL 243.A O no hydrogen 3.087 N/A ALA 247.A N ALA 244.A O no hydrogen 2.979 N/A SER 254.A N PHE 258.A O no hydrogen 3.154 N/A ILE 259.A N TYR 195.A O no hydrogen 2.639 N/A VAL 261.A N ALA 250.A O no hydrogen 3.054 N/A VAL 262.A N SER 192.A O no hydrogen 2.699 N/A ARG 266.A N GLU 263.A O no hydrogen 2.809 N/A LYS 267.A N PRO 264.A O no hydrogen 3.042 N/A LYS 267.A NZ GLU 190.A O no hydrogen 3.164 N/A VAL 270.A N ARG 266.A O no hydrogen 3.262 N/A VAL 271.A N LYS 267.A O no hydrogen 2.816 N/A ARG 272.A N GLU 268.A O no hydrogen 2.836 N/A ALA 273.A N GLU 269.A O no hydrogen 2.930 N/A LEU 274.A N VAL 270.A O no hydrogen 3.054 N/A ASN 275.A N VAL 271.A O no hydrogen 3.135 N/A ASN 276.A N ALA 273.A O no hydrogen 2.936 N/A LEU 277.A N LEU 274.A O no hydrogen 2.699 N/A GLN 284.A N ASN 36.A OD1 no hydrogen 2.753 N/A PHE 285.A N GLU 190.A OE2 no hydrogen 2.584 N/A ILE 286.A N THR 34.A O no hydrogen 3.024 N/A ALA 290.A N ALA 160.A O no hydrogen 2.921 N/A HIS 291.A N LYS 5.A O no hydrogen 3.128 N/A HIS 291.A ND1 GLY 289.A O no hydrogen 3.226 N/A TRP 293.A N ARG 3.A O no hydrogen 2.898 N/A ILE 295.A N LEU 1.A O no hydrogen 2.871 N/A