Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kac_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 11.A N TYR 21.A O no hydrogen 3.262 N/A VAL 15.A N GLU 18.A O no hydrogen 2.716 N/A GLU 18.A N VAL 15.A O no hydrogen 2.905 N/A ARG 19.A N ASP 69.A OD2 no hydrogen 3.006 N/A HIS 20.A N SER 68.A OG no hydrogen 3.154 N/A TYR 21.A N HIS 11.A O no hydrogen 2.846 N/A VAL 22.A N ALA 60.A O no hydrogen 2.821 N/A VAL 24.A N CYS 58.A O no hydrogen 3.066 N/A ARG 27.A NE GLY 25.A O no hydrogen 3.158 N/A ARG 27.A NH1 ASP 23.A OD1 no hydrogen 3.158 N/A ARG 27.A NH1 GLY 25.A O no hydrogen 2.894 N/A ARG 27.A NH2 ASP 23.A OD1 no hydrogen 3.347 N/A ARG 27.A NH2 ASP 23.A OD2 no hydrogen 3.046 N/A VAL 32.A N ARG 57.A O no hydrogen 2.831 N/A LEU 33.A N VAL 97.A O no hydrogen 2.738 N/A PHE 34.A N ILE 59.A O no hydrogen 2.810 N/A LEU 35.A N VAL 99.A O no hydrogen 2.979 N/A HIS 36.A ND1 GLY 37.A O no hydrogen 2.829 N/A ASN 38.A N ASP 102.A OD2 no hydrogen 2.939 N/A THR 40.A N GLY 37.A O no hydrogen 3.131 N/A THR 40.A OG1 GLY 37.A O no hydrogen 2.892 N/A SER 42.A N ASP 62.A OD1 no hydrogen 2.756 N/A SER 42.A OG ASP 62.A OD1 no hydrogen 2.867 N/A TYR 43.A N SER 41.A OG no hydrogen 3.123 N/A TYR 43.A OH THR 4.A O no hydrogen 2.587 N/A LEU 44.A N SER 41.A O no hydrogen 3.057 N/A TRP 45.A N SER 42.A O no hydrogen 2.880 N/A ARG 46.A N TYR 43.A O no hydrogen 3.147 N/A ARG 46.A NE GLY 3.A O no hydrogen 2.870 N/A ARG 46.A NH1 TYR 43.A O no hydrogen 3.011 N/A ARG 46.A NH1 GLU 268.A OE1 no hydrogen 3.390 N/A ARG 46.A NH1 GLU 268.A OE2 no hydrogen 2.715 N/A ARG 46.A NH2 GLY 3.A O no hydrogen 3.143 N/A ARG 46.A NH2 GLU 268.A OE1 no hydrogen 2.857 N/A ARG 46.A NH2 GLU 268.A OE2 no hydrogen 3.432 N/A ASN 47.A ND2 GLY 3.A O no hydrogen 2.855 N/A ILE 48.A N TRP 45.A O no hydrogen 2.907 N/A ILE 49.A N TRP 45.A O no hydrogen 2.978 N/A HIS 51.A N ILE 48.A O no hydrogen 3.007 N/A VAL 52.A N ILE 49.A O no hydrogen 2.892 N/A ALA 53.A N ILE 49.A O no hydrogen 2.875 N/A SER 55.A N VAL 52.A O no hydrogen 3.075 N/A SER 55.A OG VAL 52.A O no hydrogen 3.242 N/A SER 55.A OG HIS 56.A ND1 no hydrogen 2.871 N/A HIS 56.A N VAL 52.A O no hydrogen 3.098 N/A HIS 56.A ND1 SER 55.A OG no hydrogen 2.871 N/A ARG 57.A NE ASP 23.A OD1 no hydrogen 2.918 N/A ARG 57.A NH2 ASP 23.A OD2 no hydrogen 2.776 N/A CYS 58.A N VAL 24.A O no hydrogen 2.795 N/A CYS 58.A SG HIS 56.A O no hydrogen 3.581 N/A ILE 59.A N VAL 32.A O no hydrogen 2.914 N/A ALA 60.A N VAL 22.A O no hydrogen 3.014 N/A ASP 62.A N HIS 20.A O no hydrogen 2.787 N/A LEU 63.A N HIS 36.A NE2 no hydrogen 3.151 N/A GLY 65.A N ASP 69.A O no hydrogen 3.030 N/A LYS 67.A N ASP 62.A OD2 no hydrogen 2.820 N/A SER 68.A OG ASP 62.A O no hydrogen 2.516 N/A ASP 69.A N ARG 19.A O no hydrogen 2.926 N/A LYS 70.A NZ PRO 185.A O no hydrogen 2.792 N/A LEU 73.A N PRO 71.A O no hydrogen 2.887 N/A TYR 75.A OH PRO 71.A O no hydrogen 2.527 N/A PHE 76.A N ASP 79.A OD2 no hydrogen 2.897 N/A PHE 77.A N GLU 201.A OE2 no hydrogen 2.847 N/A HIS 80.A N PHE 76.A O no hydrogen 3.308 N/A VAL 81.A N PHE 77.A O no hydrogen 2.984 N/A ARG 82.A N ASP 78.A O no hydrogen 3.131 N/A ARG 82.A NH1.A ASP 79.A OD1 no hydrogen 3.206 N/A ARG 82.A NH2.A ASP 78.A OD2 no hydrogen 3.369 N/A ARG 82.A NH2.A ASP 79.A OD1 no hydrogen 2.708 N/A TYR 83.A N ASP 79.A O no hydrogen 3.209 N/A LEU 84.A N HIS 80.A O no hydrogen 2.979 N/A ASP 85.A N VAL 81.A O no hydrogen 2.938 N/A ALA 86.A N ARG 82.A O no hydrogen 3.084 N/A PHE 87.A N TYR 83.A O no hydrogen 2.923 N/A ILE 88.A N LEU 84.A O no hydrogen 2.890 N/A GLU 89.A N ASP 85.A O no hydrogen 3.239 N/A ALA 90.A N ALA 86.A O no hydrogen 2.956 N/A ALA 90.A N PHE 87.A O no hydrogen 3.124 N/A LEU 91.A N PHE 87.A O no hydrogen 3.260 N/A LEU 91.A N ILE 88.A O no hydrogen 3.365 N/A GLY 92.A N GLU 89.A O no hydrogen 2.894 N/A LEU 93.A N ILE 88.A O no hydrogen 3.148 N/A VAL 96.A N ARG 118.A O no hydrogen 2.895 N/A VAL 97.A N PRO 31.A O no hydrogen 3.022 N/A LEU 98.A N GLY 121.A O no hydrogen 3.071 N/A VAL 99.A N LEU 33.A O no hydrogen 2.954 N/A ILE 100.A N ALA 123.A O no hydrogen 2.871 N/A HIS 101.A N LEU 35.A O no hydrogen 3.111 N/A HIS 101.A NE2 PHE 264.A O no hydrogen 2.949 N/A ASP 102.A N GLU 125.A O no hydrogen 3.215 N/A SER 105.A N HIS 101.A O no hydrogen 3.168 N/A SER 105.A N ASP 102.A O no hydrogen 2.740 N/A SER 105.A OG ASP 102.A O no hydrogen 2.435 N/A ALA 106.A N ASP 102.A O no hydrogen 3.149 N/A LEU 107.A N TRP 103.A O no hydrogen 2.896 N/A GLY 108.A N GLY 104.A O no hydrogen 2.687 N/A PHE 109.A N SER 105.A O no hydrogen 2.817 N/A HIS 110.A N ALA 106.A O no hydrogen 3.021 N/A TRP 111.A N LEU 107.A O no hydrogen 2.879 N/A ALA 112.A N GLY 108.A O no hydrogen 2.780 N/A LYS 113.A N PHE 109.A O no hydrogen 2.877 N/A ARG 114.A N HIS 110.A O no hydrogen 3.330 N/A ARG 114.A NE HIS 110.A O no hydrogen 3.197 N/A ARG 114.A NH1 ASP 85.A OD2 no hydrogen 2.865 N/A ARG 114.A NH2 ASP 85.A OD1 no hydrogen 3.006 N/A ARG 114.A NH2 ASP 85.A OD2 no hydrogen 3.216 N/A ASN 115.A N TRP 111.A O no hydrogen 2.907 N/A ASN 115.A N ALA 112.A O no hydrogen 3.286 N/A ASN 115.A ND2 TRP 111.A O no hydrogen 2.891 N/A GLU 117.A N GLU 117.A OE1 no hydrogen 2.455 N/A ARG 118.A N ASN 115.A O no hydrogen 2.884 N/A ARG 118.A NE GLU 94.A O no hydrogen 3.057 N/A ARG 118.A NH1 GLU 89.A OE2 no hydrogen 3.297 N/A ARG 118.A NH2 GLU 89.A OE2 no hydrogen 3.250 N/A VAL 119.A N PRO 116.A O no hydrogen 3.469 N/A LYS 120.A N VAL 96.A O no hydrogen 2.907 N/A LYS 120.A NZ GLU 117.A O no hydrogen 3.219 N/A ILE 122.A N PRO 227.A O no hydrogen 2.806 N/A ALA 123.A N LEU 98.A O no hydrogen 2.795 N/A CYS 124.A N LEU 229.A O no hydrogen 2.840 N/A CYS 124.A SG LEU 229.A O no hydrogen 3.908 N/A ILE 127.A N SER 105.A OG no hydrogen 3.166 N/A ILE 130.A N PRO 203.A O no hydrogen 2.761 N/A GLU 135.A N THR 132.A O no hydrogen 3.199 N/A TRP 136.A N TRP 133.A O no hydrogen 3.006 N/A ALA 140.A N PRO 137.A O no hydrogen 3.069 N/A ARG 141.A N GLU 138.A O no hydrogen 2.949 N/A ARG 141.A NE TRP 133.A O no hydrogen 3.084 N/A ARG 141.A NE TRP 136.A O no hydrogen 3.222 N/A ARG 141.A NH2 TRP 136.A O no hydrogen 2.954 N/A PHE 144.A N ALA 140.A O no hydrogen 3.033 N/A GLN 145.A N ARG 141.A O no hydrogen 2.978 N/A ALA 146.A N GLU 142.A O no hydrogen 3.039 N/A PHE 147.A N THR 143.A O no hydrogen 2.911 N/A ARG 148.A N PHE 144.A O no hydrogen 3.040 N/A ARG 148.A NH1 LEU 202.A O no hydrogen 3.543 N/A ARG 148.A NH1 GLU 207.A O no hydrogen 3.126 N/A ARG 148.A NH2 PRO 199.A O no hydrogen 2.845 N/A ARG 148.A NH2 LEU 202.A O no hydrogen 2.852 N/A THR 149.A OG1 ALA 146.A O no hydrogen 2.854 N/A THR 149.A OG1 ASP 151.A OD1 no hydrogen 3.257 N/A VAL 152.A N ASP 151.A OD1 no hydrogen 2.578 N/A GLY 153.A N THR 149.A OG1 no hydrogen 2.755 N/A ARG 154.A NH1 GLU 193.A OE1 no hydrogen 3.498 N/A ARG 154.A NH1 GLU 193.A OE2 no hydrogen 3.085 N/A ARG 154.A NH2 GLU 193.A OE1 no hydrogen 3.007 N/A GLU 155.A N ASP 151.A O no hydrogen 3.218 N/A LEU 156.A N VAL 152.A O no hydrogen 2.873 N/A ILE 157.A N GLY 153.A O no hydrogen 2.935 N/A ILE 158.A N ARG 154.A O no hydrogen 2.874 N/A ASP 159.A N ARG 154.A O no hydrogen 3.290 N/A GLN 160.A N LEU 156.A O no hydrogen 3.229 N/A ALA 162.A N LEU 156.A O no hydrogen 3.034 N/A ILE 164.A N ASN 161.A O no hydrogen 3.101 N/A GLU 165.A N ASN 161.A O no hydrogen 2.919 N/A GLY 166.A N ALA 162.A O no hydrogen 2.872 N/A ALA 167.A N ALA 162.A O no hydrogen 3.137 N/A LEU 168.A N PHE 163.A O no hydrogen 3.014 N/A VAL 171.A N PRO 169.A O no hydrogen 3.359 N/A VAL 172.A N ASP 269.A OD2 no hydrogen 2.848 N/A ARG 173.A N ASP 269.A OD1 no hydrogen 3.112 N/A ARG 173.A NE GLU 268.A O no hydrogen 2.655 N/A ARG 173.A NH1 PRO 174.A O no hydrogen 3.505 N/A ARG 173.A NH1 GLU 179.A OE1 no hydrogen 2.641 N/A ARG 173.A NH1 GLU 179.A OE2 no hydrogen 3.173 N/A ARG 173.A NH2 GLU 179.A OE2 no hydrogen 2.783 N/A ARG 173.A NH2 GLU 268.A O no hydrogen 3.350 N/A THR 176.A N GLU 179.A OE1 no hydrogen 2.683 N/A THR 176.A OG1 GLU 179.A OE1 no hydrogen 2.960 N/A GLU 179.A N THR 176.A OG1 no hydrogen 3.267 N/A HIS 181.A N VAL 178.A O no hydrogen 3.292 N/A TYR 182.A N GLU 179.A O no hydrogen 3.168 N/A TYR 182.A OH GLU 268.A OE2 no hydrogen 2.470 N/A ARG 183.A NE GLU 165.A OE1 no hydrogen 3.271 N/A ARG 183.A NE GLU 165.A OE2 no hydrogen 2.978 N/A ARG 183.A NH1 ASP 180.A OD1 no hydrogen 3.053 N/A ARG 183.A NH2 GLU 165.A OE1 no hydrogen 2.736 N/A PHE 186.A N ARG 183.A O no hydrogen 2.908 N/A ASP 191.A N LYS 188.A O no hydrogen 2.741 N/A ARG 192.A N PRO 189.A O no hydrogen 3.109 N/A ARG 192.A NE PHE 186.A O no hydrogen 2.836 N/A ARG 192.A NH1 ILE 158.A O no hydrogen 2.667 N/A ARG 192.A NH2 PHE 186.A O no hydrogen 2.987 N/A LEU 195.A N ARG 192.A O no hydrogen 2.998 N/A TRP 196.A N GLU 193.A O no hydrogen 3.040 N/A TRP 196.A NE1 THR 149.A O no hydrogen 3.187 N/A ARG 197.A N GLU 193.A O no hydrogen 3.106 N/A PHE 198.A N PRO 194.A O no hydrogen 3.163 N/A ASN 200.A ND2 PHE 147.A O no hydrogen 3.161 N/A ASN 200.A ND2 TRP 196.A O no hydrogen 2.804 N/A GLU 201.A N PHE 198.A O no hydrogen 3.038 N/A LEU 202.A N PRO 199.A O no hydrogen 3.357 N/A ILE 204.A N GLU 207.A O no hydrogen 3.200 N/A ALA 205.A N ILE 130.A O no hydrogen 2.653 N/A GLU 207.A N ILE 204.A O no hydrogen 3.409 N/A ILE 211.A N PRO 208.A O no hydrogen 2.934 N/A VAL 212.A N PRO 208.A O no hydrogen 2.975 N/A ALA 213.A N ALA 209.A O no hydrogen 3.028 N/A LEU 214.A N ASN 210.A O no hydrogen 3.256 N/A VAL 215.A N ILE 211.A O no hydrogen 2.883 N/A GLU 216.A N VAL 212.A O no hydrogen 2.911 N/A ALA 217.A N ALA 213.A O no hydrogen 3.006 N/A TYR 218.A N LEU 214.A O no hydrogen 3.261 N/A TYR 218.A OH ILE 127.A O no hydrogen 2.779 N/A TRP 220.A N ALA 217.A O no hydrogen 3.034 N/A LEU 221.A N TYR 218.A O no hydrogen 2.878 N/A GLN 223.A N TRP 220.A O no hydrogen 3.367 N/A SER 224.A N LEU 221.A O no hydrogen 3.283 N/A VAL 226.A N SER 224.A OG no hydrogen 3.092 N/A LYS 228.A N ASN 253.A O no hydrogen 2.970 N/A LYS 228.A NZ SER 224.A O no hydrogen 2.763 N/A LYS 228.A NZ VAL 226.A O no hydrogen 2.577 N/A LYS 228.A NZ PRO 252.A O no hydrogen 2.688 N/A LEU 229.A N ILE 122.A O no hydrogen 2.833 N/A LEU 230.A N LYS 255.A O no hydrogen 2.896 N/A PHE 231.A N CYS 124.A O no hydrogen 2.952 N/A TRP 232.A N VAL 257.A O no hydrogen 3.073 N/A THR 234.A N GLY 260.A O no hydrogen 2.975 N/A GLY 236.A N GLY 262.A O no hydrogen 2.819 N/A VAL 237.A N GLU 125.A OE1 no hydrogen 3.311 N/A VAL 237.A N GLU 125.A OE2 no hydrogen 3.232 N/A LEU 238.A N GLU 125.A OE1 no hydrogen 2.600 N/A ILE 239.A N GLU 125.A OE2 no hydrogen 2.986 N/A GLU 243.A N PRO 240.A O no hydrogen 2.802 N/A ALA 244.A N PRO 240.A O no hydrogen 3.068 N/A ALA 245.A N PRO 241.A O no hydrogen 3.100 N/A ARG 246.A N ALA 242.A O no hydrogen 3.260 N/A ARG 246.A NE GLU 243.A OE1 no hydrogen 3.256 N/A ARG 246.A NH2 GLU 243.A OE1 no hydrogen 2.858 N/A LEU 247.A N GLU 243.A O no hydrogen 2.946 N/A ALA 248.A N ALA 244.A O no hydrogen 2.896 N/A GLU 249.A N ARG 246.A O no hydrogen 3.021 N/A SER 250.A N ARG 246.A O no hydrogen 2.910 N/A SER 250.A OG HIS 222.A NE2 no hydrogen 3.176 N/A SER 250.A OG ARG 246.A O no hydrogen 3.306 N/A LEU 251.A N LEU 247.A O no hydrogen 2.779 N/A ASN 253.A ND2 PRO 225.A O no hydrogen 2.935 N/A CYS 254.A SG LYS 255.A O no hydrogen 3.957 N/A LYS 255.A N LYS 228.A O no hydrogen 2.981 N/A VAL 257.A N LEU 230.A O no hydrogen 2.976 N/A ILE 259.A N TRP 232.A O no hydrogen 2.997 N/A GLY 260.A N ASP 258.A OD1 no hydrogen 2.856 N/A GLY 262.A N THR 234.A O no hydrogen 2.970 N/A PHE 264.A N GLY 170.A O no hydrogen 2.902 N/A LEU 265.A N GLY 170.A O no hydrogen 3.020 N/A GLN 267.A N GLN 267.A OE1 no hydrogen 2.735 N/A GLU 268.A N LEU 265.A O no hydrogen 3.044 N/A ASP 269.A N LEU 266.A O no hydrogen 3.161 N/A ASN 270.A N LEU 266.A O no hydrogen 3.073 N/A ASN 270.A ND2 ILE 259.A O no hydrogen 3.132 N/A LEU 273.A N ASN 270.A OD1 no hydrogen 3.335 N/A ILE 274.A N ASN 270.A O no hydrogen 3.409 N/A GLY 275.A N PRO 271.A O no hydrogen 2.941 N/A SER 276.A N ASP 272.A O no hydrogen 2.914 N/A SER 276.A OG ASP 272.A O no hydrogen 3.277 N/A SER 276.A OG LEU 273.A O no hydrogen 3.115 N/A GLU 277.A N LEU 273.A O no hydrogen 2.823 N/A ILE 278.A N ILE 274.A O no hydrogen 3.064 N/A ALA 279.A N GLY 275.A O no hydrogen 3.053 N/A ARG 280.A N SER 276.A O no hydrogen 2.952 N/A TRP 281.A N ILE 278.A O no hydrogen 2.842 N/A LEU 282.A N ILE 278.A O no hydrogen 2.931 N/A LEU 285.A N LEU 282.A O no hydrogen 2.888 N/A