Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8dks_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A N LEU 80.A O no hydrogen 3.070 N/A PHE 4.A N PHE 82.A O no hydrogen 3.059 N/A SER 5.A OG ASP 85.A OD2 no hydrogen 3.447 N/A PHE 6.A N ASP 85.A OD1 no hydrogen 2.976 N/A PHE 6.A N ASP 85.A OD2 no hydrogen 3.515 N/A LEU 9.A N SER 5.A O no hydrogen 3.248 N/A LYS 10.A N PHE 6.A O no hydrogen 2.847 N/A ASN 11.A N TYR 7.A O no hydrogen 2.921 N/A VAL 12.A N GLU 8.A O no hydrogen 3.013 N/A THR 13.A N LEU 9.A O no hydrogen 3.223 N/A THR 13.A OG1 LEU 9.A O no hydrogen 2.715 N/A THR 13.A OG1 LYS 10.A O no hydrogen 3.434 N/A ASN 14.A N ASN 11.A O no hydrogen 3.440 N/A ASN 15.A N LYS 10.A O no hydrogen 2.812 N/A PHE 16.A N THR 13.A OG1 no hydrogen 3.377 N/A ASP 17.A N THR 13.A O no hydrogen 3.267 N/A ARG 19.A NE ASP 17.A OD2 no hydrogen 3.030 N/A GLY 24.A N PRO 20.A O no hydrogen 3.318 N/A ASN 26.A N ASP 17.A O no hydrogen 3.338 N/A ASN 26.A ND2 LYS 38.A O no hydrogen 3.134 N/A LYS 27.A N ARG 19.A O no hydrogen 3.250 N/A MET 28.A N VAL 36.A O no hydrogen 2.992 N/A GLY 31.A N GLY 34.A O no hydrogen 2.747 N/A GLY 32.A N ASP 160.A OD1 no hydrogen 3.431 N/A GLY 34.A N GLY 31.A O no hydrogen 3.076 N/A VAL 36.A N GLY 29.A O no hydrogen 3.138 N/A TYR 37.A N VAL 48.A O no hydrogen 2.759 N/A TYR 37.A OH GLU 18.A OE2 no hydrogen 3.417 N/A LYS 38.A N ASN 26.A O no hydrogen 2.853 N/A GLY 39.A N VAL 46.A O no hydrogen 2.964 N/A VAL 41.A N THR 44.A O no hydrogen 3.096 N/A THR 44.A OG1 ASN 42.A O no hydrogen 2.663 N/A VAL 46.A N GLY 39.A O no hydrogen 2.928 N/A ALA 47.A N TYR 93.A O no hydrogen 3.004 N/A VAL 48.A N TYR 37.A O no hydrogen 2.754 N/A LYS 49.A N LEU 91.A O no hydrogen 2.816 N/A LYS 49.A NZ ASP 160.A OD2 no hydrogen 2.810 N/A LEU 51.A N LEU 89.A O no hydrogen 2.811 N/A ALA 52.A N LYS 50.A O no hydrogen 3.017 N/A GLU 56.A N THR 53.A OG1 no hydrogen 3.394 N/A LEU 57.A N THR 53.A O no hydrogen 3.245 N/A LYS 58.A N THR 54.A O no hydrogen 3.408 N/A PHE 61.A N LEU 57.A O no hydrogen 2.943 N/A ASP 62.A N LYS 58.A O no hydrogen 2.988 N/A GLN 63.A N GLN 59.A O no hydrogen 3.115 N/A GLU 64.A N GLN 60.A O no hydrogen 3.053 N/A ILE 65.A N PHE 61.A O no hydrogen 3.272 N/A LYS 66.A N ASP 62.A O no hydrogen 2.738 N/A VAL 67.A N GLN 63.A O no hydrogen 2.949 N/A MET 68.A N GLU 64.A O no hydrogen 3.099 N/A CYS 71.A N VAL 67.A O no hydrogen 3.101 N/A GLN 72.A N LYS 70.A O no hydrogen 3.184 N/A ASN 75.A N HIS 73.A ND1 no hydrogen 3.087 N/A ASN 75.A ND2 ALA 156.A O no hydrogen 2.779 N/A LEU 76.A N HIS 73.A O no hydrogen 3.232 N/A VAL 77.A N ILE 158.A O no hydrogen 2.998 N/A LEU 80.A N VAL 92.A O no hydrogen 2.872 N/A GLY 81.A N VAL 92.A O no hydrogen 3.189 N/A SER 83.A N CYS 90.A O no hydrogen 2.922 N/A SER 83.A OG PHE 4.A O no hydrogen 2.760 N/A SER 83.A OG ASP 85.A OD1 no hydrogen 2.856 N/A CYS 90.A N SER 83.A O no hydrogen 2.920 N/A LEU 91.A N LYS 49.A O no hydrogen 2.908 N/A VAL 92.A N GLY 81.A O no hydrogen 3.089 N/A TYR 93.A N ALA 47.A O no hydrogen 2.822 N/A TYR 93.A OH GLU 64.A OE2 no hydrogen 2.585 N/A VAL 94.A N GLU 78.A O no hydrogen 3.242 N/A TYR 95.A N THR 45.A O no hydrogen 3.501 N/A ASN 98.A N LEU 150.A O no hydrogen 3.085 N/A ASN 98.A ND2 ASP 151.A O no hydrogen 2.839 N/A GLY 99.A N MET 96.A O no hydrogen 3.334 N/A LEU 101.A N ILE 148.A O no hydrogen 2.812 N/A LEU 102.A N SER 145.A O no hydrogen 3.271 N/A ASP 103.A N SER 100.A OG no hydrogen 3.127 N/A ARG 104.A N SER 100.A O no hydrogen 3.245 N/A ARG 104.A NE THR 111.A OG1 no hydrogen 2.965 N/A ARG 104.A NH1 LEU 108.A O no hydrogen 2.925 N/A ARG 104.A NH2 ASN 98.A O no hydrogen 2.808 N/A LEU 105.A N LEU 101.A O no hydrogen 2.895 N/A SER 106.A N LEU 102.A O no hydrogen 3.050 N/A SER 106.A OG LEU 102.A O no hydrogen 3.126 N/A SER 106.A OG ASP 103.A O no hydrogen 3.178 N/A CYS 107.A N ARG 104.A O no hydrogen 3.219 N/A CYS 107.A SG ARG 104.A O no hydrogen 3.798 N/A LEU 108.A N ASP 103.A O no hydrogen 2.797 N/A GLY 110.A N CYS 107.A O no hydrogen 3.155 N/A THR 111.A OG1 LEU 108.A O no hydrogen 3.518 N/A TRP 116.A N ASP 243.A OD1 no hydrogen 2.863 N/A TRP 116.A NE1 SER 248.A OG no hydrogen 3.093 N/A HIS 117.A N ASP 243.A OD2 no hydrogen 3.186 N/A MET 118.A N SER 115.A OG no hydrogen 3.181 N/A ARG 119.A N SER 115.A O no hydrogen 2.885 N/A ARG 119.A NE LEU 114.A O no hydrogen 2.728 N/A ARG 119.A NH1 ILE 203.A O no hydrogen 2.861 N/A ARG 119.A NH1 ASP 238.A OD2 no hydrogen 3.115 N/A ARG 119.A NH2 LEU 114.A O no hydrogen 2.896 N/A ARG 119.A NH2 ASP 238.A OD2 no hydrogen 3.096 N/A CYS 120.A N TRP 116.A O no hydrogen 2.974 N/A CYS 120.A SG TRP 116.A O no hydrogen 3.344 N/A LYS 121.A N HIS 117.A O no hydrogen 3.428 N/A LYS 121.A NZ ALA 153.A O no hydrogen 3.193 N/A ILE 122.A N MET 118.A O no hydrogen 3.210 N/A ALA 123.A N ARG 119.A O no hydrogen 2.910 N/A GLN 124.A N CYS 120.A O no hydrogen 2.981 N/A GLN 124.A NE2 LEU 277.A O no hydrogen 3.188 N/A GLN 124.A NE2 THR 281.A OG1 no hydrogen 3.097 N/A GLY 125.A N LYS 121.A O no hydrogen 2.949 N/A ALA 126.A N ILE 122.A O no hydrogen 2.919 N/A ALA 127.A N ALA 123.A O no hydrogen 3.073 N/A ASN 128.A N GLN 124.A O no hydrogen 2.871 N/A GLY 129.A N GLY 125.A O no hydrogen 2.855 N/A ILE 130.A N ALA 126.A O no hydrogen 2.924 N/A ASN 131.A N ALA 127.A O no hydrogen 2.754 N/A PHE 132.A N ASN 128.A O no hydrogen 3.137 N/A LEU 133.A N GLY 129.A O no hydrogen 3.292 N/A HIS 134.A N ILE 130.A O no hydrogen 3.113 N/A HIS 134.A NE2 ASP 192.A OD2 no hydrogen 3.319 N/A GLU 135.A N ASN 131.A O no hydrogen 2.929 N/A ASN 136.A N PHE 132.A O no hydrogen 3.095 N/A ASN 136.A ND2 PHE 132.A O no hydrogen 2.787 N/A HIS 137.A N HIS 134.A O no hydrogen 3.125 N/A HIS 138.A N LEU 133.A O no hydrogen 2.738 N/A ILE 139.A N ARG 165.A O no hydrogen 2.906 N/A HIS 140.A N ASP 192.A OD2 no hydrogen 2.869 N/A HIS 140.A NE2 SER 159.A O no hydrogen 2.849 N/A ARG 141.A N ASP 192.A OD1 no hydrogen 3.131 N/A ARG 141.A NE LEU 163.A O no hydrogen 2.874 N/A ARG 141.A NH2 LEU 163.A O no hydrogen 3.517 N/A ASP 142.A N HIS 140.A ND1 no hydrogen 2.975 N/A LYS 144.A NZ THR 174.A OG1 no hydrogen 2.995 N/A SER 145.A OG TYR 177.A OH no hydrogen 3.241 N/A SER 145.A OG GLU 202.A OE1 no hydrogen 2.894 N/A SER 145.A OG GLU 202.A OE2 no hydrogen 3.128 N/A ASN 147.A N LYS 144.A O no hydrogen 2.989 N/A ASN 147.A ND2 ASP 142.A O no hydrogen 3.051 N/A ILE 148.A N SER 145.A O no hydrogen 3.388 N/A LEU 149.A N LYS 157.A O no hydrogen 2.705 N/A LEU 150.A N GLY 99.A O no hydrogen 2.762 N/A ASP 151.A N THR 155.A O no hydrogen 3.166 N/A ALA 153.A N ASP 151.A OD1 no hydrogen 2.843 N/A PHE 154.A N ASP 151.A O no hydrogen 2.899 N/A THR 155.A N ASP 151.A OD1 no hydrogen 2.729 N/A THR 155.A OG1 ASP 151.A OD1 no hydrogen 3.281 N/A THR 155.A OG1 ASP 151.A OD2 no hydrogen 3.518 N/A LYS 157.A N LEU 149.A O no hydrogen 2.751 N/A LYS 157.A NZ GLU 74.A O no hydrogen 2.921 N/A ILE 158.A N ASN 75.A O no hydrogen 2.829 N/A SER 159.A N ASN 147.A O no hydrogen 2.964 N/A SER 159.A OG ASP 160.A OD2 no hydrogen 2.673 N/A PHE 161.A N GLU 64.A OE1 no hydrogen 2.612 N/A ARG 165.A N ILE 139.A O no hydrogen 2.919 N/A SER 167.A N HIS 137.A O no hydrogen 2.855 N/A SER 167.A OG HIS 137.A O no hydrogen 3.266 N/A THR 174.A OG1 ASP 142.A OD1 no hydrogen 2.803 N/A TYR 177.A N THR 174.A O no hydrogen 2.825 N/A TYR 177.A OH SER 145.A OG no hydrogen 3.241 N/A TYR 177.A OH GLU 202.A OE2 no hydrogen 2.531 N/A MET 178.A N THR 174.A O no hydrogen 3.263 N/A MET 178.A N THR 175.A O no hydrogen 3.388 N/A GLU 181.A N GLU 181.A OE1 no hydrogen 2.948 N/A LEU 183.A N ALA 179.A O no hydrogen 3.045 N/A ARG 184.A N PRO 180.A O no hydrogen 3.135 N/A GLY 185.A N GLU 181.A O no hydrogen 2.836 N/A GLU 186.A N GLU 181.A O no hydrogen 2.855 N/A ILE 187.A N VAL 168.A O no hydrogen 2.754 N/A LYS 190.A N THR 188.A OG1 no hydrogen 3.107 N/A LYS 190.A NZ ASN 265.A OD1 no hydrogen 2.725 N/A SER 191.A N THR 188.A O no hydrogen 3.260 N/A SER 191.A OG GLU 181.A OE2 no hydrogen 2.616 N/A SER 191.A OG THR 188.A O no hydrogen 3.410 N/A ASP 192.A N PRO 189.A O no hydrogen 3.271 N/A ILE 193.A N LYS 190.A O no hydrogen 3.280 N/A TYR 194.A N LYS 190.A O no hydrogen 3.449 N/A TYR 194.A OH GLU 262.A OE2 no hydrogen 3.423 N/A SER 195.A N SER 191.A O no hydrogen 3.341 N/A SER 195.A OG TYR 177.A O no hydrogen 2.729 N/A SER 195.A OG SER 191.A O no hydrogen 3.315 N/A PHE 196.A N ASP 192.A O no hydrogen 3.098 N/A GLY 197.A N ILE 193.A O no hydrogen 2.971 N/A VAL 198.A N TYR 194.A O no hydrogen 3.234 N/A VAL 199.A N SER 195.A O no hydrogen 2.989 N/A LEU 200.A N PHE 196.A O no hydrogen 2.913 N/A LEU 201.A N GLY 197.A O no hydrogen 3.149 N/A GLU 202.A N VAL 198.A O no hydrogen 2.978 N/A ILE 203.A N VAL 199.A O no hydrogen 3.066 N/A ILE 204.A N LEU 200.A O no hydrogen 3.045 N/A THR 205.A N LEU 201.A O no hydrogen 3.021 N/A THR 205.A OG1 LEU 201.A O no hydrogen 2.683 N/A GLY 206.A N GLU 202.A O no hydrogen 2.647 N/A LEU 207.A N THR 205.A OG1 no hydrogen 3.123 N/A ALA 209.A N GLU 202.A OE2 no hydrogen 3.131 N/A ASP 211.A N GLN 217.A O no hydrogen 3.025 N/A HIS 213.A N ASP 211.A OD1 no hydrogen 2.724 N/A ARG 214.A NE PRO 216.A O no hydrogen 2.964 N/A ARG 214.A NH1 PRO 208.A O no hydrogen 2.729 N/A ARG 214.A NH2 PRO 208.A O no hydrogen 3.003 N/A LEU 219.A N ALA 209.A O no hydrogen 2.883 N/A ASP 221.A N LEU 218.A O no hydrogen 3.156 N/A ILE 222.A N LEU 219.A O no hydrogen 3.128 N/A LYS 223.A NZ SER 257.A O no hydrogen 2.939 N/A GLU 224.A N ASP 221.A O no hydrogen 3.212 N/A GLU 225.A N ASP 221.A O no hydrogen 3.383 N/A ILE 226.A N ILE 222.A O no hydrogen 2.847 N/A GLU 227.A N LYS 223.A O no hydrogen 3.082 N/A ASP 228.A N GLU 224.A O no hydrogen 3.099 N/A GLU 229.A N ILE 226.A O no hydrogen 3.067 N/A GLU 230.A N GLU 225.A O no hydrogen 3.192 N/A LYS 231.A N GLU 225.A O no hydrogen 3.428 N/A THR 232.A N ASP 235.A OD2 no hydrogen 2.986 N/A THR 232.A OG1 ASP 235.A OD2 no hydrogen 2.735 N/A ASP 235.A N THR 232.A O no hydrogen 3.246 N/A ASP 235.A N THR 232.A OG1 no hydrogen 3.208 N/A TYR 236.A N ILE 233.A O no hydrogen 2.878 N/A TYR 236.A OH GLU 225.A OE1 no hydrogen 2.849 N/A ILE 237.A N ILE 233.A O no hydrogen 3.064 N/A ASP 238.A N ILE 204.A O no hydrogen 2.945 N/A LYS 240.A N ASP 238.A OD1 no hydrogen 2.936 N/A LYS 240.A NZ ASP 238.A OD1 no hydrogen 2.965 N/A LYS 240.A NZ ASP 238.A OD2 no hydrogen 3.560 N/A SER 246.A OG GLU 234.A OE2 no hydrogen 2.890 N/A SER 248.A OG ASP 245.A OD1 no hydrogen 2.635 N/A SER 248.A OG ASP 245.A OD2 no hydrogen 3.255 N/A VAL 249.A N ASP 245.A O no hydrogen 3.227 N/A GLU 250.A N SER 246.A O no hydrogen 2.794 N/A ALA 251.A N THR 247.A O no hydrogen 2.796 N/A MET 252.A N SER 248.A O no hydrogen 2.872 N/A TYR 253.A N VAL 249.A O no hydrogen 2.851 N/A SER 254.A N GLU 250.A O no hydrogen 2.868 N/A VAL 255.A N ALA 251.A O no hydrogen 3.297 N/A ALA 256.A N MET 252.A O no hydrogen 2.867 N/A SER 257.A N TYR 253.A O no hydrogen 2.722 N/A GLN 258.A N SER 254.A O no hydrogen 3.029 N/A GLN 258.A NE2 SER 254.A O no hydrogen 2.760 N/A CYS 259.A N VAL 255.A O no hydrogen 3.072 N/A CYS 259.A SG VAL 255.A O no hydrogen 3.208 N/A LEU 260.A N ALA 256.A O no hydrogen 3.096 N/A LEU 260.A N SER 257.A O no hydrogen 3.234 N/A HIS 261.A N GLN 258.A O no hydrogen 3.464 N/A LYS 263.A N HIS 261.A ND1 no hydrogen 3.451 N/A LYS 264.A NZ ASN 265.A OD1 no hydrogen 3.462 N/A LYS 266.A N LYS 263.A O no hydrogen 3.084 N/A ARG 267.A NE HIS 261.A O no hydrogen 2.668 N/A ARG 267.A NH1 GLU 181.A OE1 no hydrogen 3.420 N/A ARG 267.A NH1 GLU 181.A OE2 no hydrogen 3.019 N/A ARG 267.A NH1 LYS 190.A O no hydrogen 2.989 N/A ARG 267.A NH2 GLU 181.A OE1 no hydrogen 2.950 N/A ARG 267.A NH2 HIS 261.A O no hydrogen 3.227 N/A LYS 271.A N ASP 269.A OD2 no hydrogen 3.020 N/A LYS 271.A NZ GLN 274.A OE1 no hydrogen 3.426 N/A LYS 272.A N ASP 269.A O no hydrogen 3.089 N/A VAL 273.A N ASP 269.A O no hydrogen 3.144 N/A GLN 274.A N ILE 270.A O no hydrogen 2.810 N/A GLN 275.A N LYS 271.A O no hydrogen 2.910 N/A LEU 276.A N LYS 272.A O no hydrogen 2.711 N/A LEU 277.A N VAL 273.A O no hydrogen 3.001 N/A GLN 278.A N GLN 274.A O no hydrogen 3.104 N/A GLU 279.A N GLN 275.A O no hydrogen 3.148 N/A MET 280.A N LEU 276.A O no hydrogen 3.260 N/A THR 281.A OG1 GLN 278.A O no hydrogen 3.123 N/A ALA 282.A N GLN 278.A O no hydrogen 3.014 N/A