Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8b54_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N ARG 22.A O no hydrogen 2.782 N/A VAL 7.A N LYS 20.A O no hydrogen 2.824 N/A ILE 10.A N VAL 18.A O no hydrogen 2.891 N/A GLY 11.A N VAL 18.A O no hydrogen 3.322 N/A THR 14.A N ASP 143.A OD2 no hydrogen 2.964 N/A TYR 15.A OH GLU 49.A OE1 no hydrogen 2.359 N/A VAL 17.A N LYS 34.A O no hydrogen 3.206 N/A VAL 18.A N GLY 11.A O no hydrogen 2.890 N/A TYR 19.A N LEU 32.A O no hydrogen 2.757 N/A LYS 20.A N GLU 8.A O no hydrogen 2.863 N/A ALA 21.A N VAL 30.A O no hydrogen 2.866 N/A ARG 22.A N GLN 5.A O no hydrogen 2.842 N/A ASN 23.A N GLU 28.A O no hydrogen 2.595 N/A LYS 24.A N ASN 3.A O no hydrogen 2.626 N/A LYS 24.A NZ GLU 2.A O no hydrogen 2.937 N/A LEU 25.A N ASN 23.A OD1 no hydrogen 3.122 N/A GLY 27.A N ASN 23.A O no hydrogen 2.554 N/A GLU 28.A N THR 26.A OG1 no hydrogen 3.216 N/A VAL 30.A N ALA 21.A O no hydrogen 2.638 N/A ALA 31.A N PHE 78.A O no hydrogen 2.968 N/A LEU 32.A N TYR 19.A O no hydrogen 2.835 N/A LYS 33.A N LEU 76.A O no hydrogen 2.981 N/A LYS 33.A NZ GLU 49.A OE1 no hydrogen 2.815 N/A LYS 33.A NZ GLU 49.A OE2 no hydrogen 3.521 N/A LYS 34.A N VAL 17.A O no hydrogen 2.751 N/A ILE 35.A N LEU 74.A O no hydrogen 2.945 N/A ILE 47.A N PRO 43.A O no hydrogen 3.155 N/A ARG 48.A N SER 44.A O no hydrogen 2.958 N/A ARG 48.A NH1 ALA 147.A O no hydrogen 3.570 N/A GLU 49.A N THR 45.A O no hydrogen 2.893 N/A ILE 50.A N ALA 46.A O no hydrogen 2.765 N/A SER 51.A N ILE 47.A O no hydrogen 3.100 N/A SER 51.A OG ILE 47.A O no hydrogen 2.444 N/A SER 51.A OG ARG 48.A O no hydrogen 3.308 N/A LEU 52.A N ARG 48.A O no hydrogen 3.040 N/A LEU 53.A N GLU 49.A O no hydrogen 2.922 N/A LYS 54.A N ILE 50.A O no hydrogen 3.089 N/A GLU 55.A N LEU 52.A O no hydrogen 2.992 N/A LEU 56.A N LEU 53.A O no hydrogen 3.154 N/A ASN 60.A N HIS 58.A ND1 no hydrogen 2.953 N/A ASN 60.A ND2 GLN 108.A OE1 no hydrogen 3.130 N/A ASN 60.A ND2 ILE 139.A O no hydrogen 2.974 N/A ILE 61.A N HIS 58.A O no hydrogen 3.177 N/A VAL 62.A N LEU 141.A O no hydrogen 3.000 N/A LYS 63.A N GLU 79.A OE2 no hydrogen 2.943 N/A LEU 65.A N VAL 77.A O no hydrogen 2.589 N/A ASP 66.A N VAL 77.A O no hydrogen 3.248 N/A VAL 67.A N ASP 66.A OD1 no hydrogen 2.996 N/A ILE 68.A N TYR 75.A O no hydrogen 2.703 N/A THR 70.A N LYS 73.A O no hydrogen 3.065 N/A LYS 73.A N THR 70.A O no hydrogen 2.989 N/A LEU 74.A N ILE 35.A O no hydrogen 2.933 N/A TYR 75.A N ILE 68.A O no hydrogen 2.727 N/A LEU 76.A N LYS 33.A O no hydrogen 3.149 N/A VAL 77.A N ASP 66.A O no hydrogen 2.751 N/A PHE 78.A N ALA 31.A O no hydrogen 2.812 N/A GLU 79.A N LYS 63.A O no hydrogen 2.938 N/A GLN 83.A N ILE 133.A O no hydrogen 3.383 N/A LEU 85.A N LEU 131.A O no hydrogen 2.831 N/A LYS 86.A NZ ASP 90.A OD1 no hydrogen 2.600 N/A LYS 87.A N ASP 84.A OD1 no hydrogen 2.789 N/A PHE 88.A N ASP 84.A O no hydrogen 3.420 N/A MET 89.A N LEU 85.A O no hydrogen 3.132 N/A MET 89.A N LYS 86.A O no hydrogen 2.797 N/A ASP 90.A N LYS 86.A O no hydrogen 3.089 N/A ALA 91.A N LYS 87.A O no hydrogen 3.048 N/A SER 92.A N PHE 88.A O no hydrogen 3.098 N/A SER 92.A OG PHE 88.A O no hydrogen 2.866 N/A ALA 93.A N ASP 90.A O no hydrogen 3.059 N/A GLY 96.A N SER 92.A O no hydrogen 2.765 N/A LEU 101.A N PRO 98.A O no hydrogen 2.873 N/A ILE 102.A N PRO 98.A O no hydrogen 3.073 N/A LYS 103.A N LEU 99.A O no hydrogen 2.894 N/A LYS 103.A NZ ASP 285.A OD1 no hydrogen 2.787 N/A SER 104.A N PRO 100.A O no hydrogen 2.814 N/A TYR 105.A N LEU 101.A O no hydrogen 2.828 N/A LEU 106.A N ILE 102.A O no hydrogen 2.981 N/A PHE 107.A N LYS 103.A O no hydrogen 2.785 N/A GLN 108.A N SER 104.A O no hydrogen 2.906 N/A GLN 108.A NE2 SER 104.A OG no hydrogen 2.850 N/A GLN 108.A NE2 GLY 137.A O no hydrogen 2.883 N/A LEU 109.A N TYR 105.A O no hydrogen 3.086 N/A LEU 110.A N LEU 106.A O no hydrogen 3.029 N/A GLN 111.A N PHE 107.A O no hydrogen 2.969 N/A GLY 112.A N GLN 108.A O no hydrogen 2.886 N/A LEU 113.A N LEU 109.A O no hydrogen 2.778 N/A ALA 114.A N LEU 110.A O no hydrogen 2.914 N/A PHE 115.A N GLN 111.A O no hydrogen 3.241 N/A CYS 116.A N GLY 112.A O no hydrogen 3.223 N/A CYS 116.A SG GLY 112.A O no hydrogen 3.574 N/A HIS 117.A N LEU 113.A O no hydrogen 3.007 N/A HIS 117.A NE2 ASP 182.A OD2 no hydrogen 2.635 N/A SER 118.A N ALA 114.A O no hydrogen 2.954 N/A SER 118.A OG ALA 114.A O no hydrogen 3.037 N/A SER 118.A OG PHE 115.A O no hydrogen 2.888 N/A HIS 119.A N CYS 116.A O no hydrogen 2.990 N/A ARG 120.A N HIS 117.A O no hydrogen 3.170 N/A ARG 120.A NH1 GLU 55.A OE1 no hydrogen 3.041 N/A ARG 120.A NH1 HIS 119.A O no hydrogen 2.887 N/A ARG 120.A NH2 GLU 55.A OE1 no hydrogen 2.766 N/A VAL 121.A N CYS 116.A O no hydrogen 2.954 N/A LEU 122.A N ARG 148.A O no hydrogen 3.055 N/A HIS 123.A N ASP 182.A OD2 no hydrogen 2.987 N/A HIS 123.A NE2 ALA 142.A O no hydrogen 2.906 N/A ARG 124.A N ASP 182.A OD1 no hydrogen 2.930 N/A ARG 124.A NE LEU 146.A O no hydrogen 2.906 N/A ARG 124.A NH1 TYR 177.A OH no hydrogen 2.920 N/A ARG 124.A NH2 LEU 146.A O no hydrogen 3.034 N/A ARG 124.A NH2 ALA 147.A O no hydrogen 3.322 N/A ASP 125.A N HIS 123.A ND1 no hydrogen 2.999 N/A GLN 129.A N GLN 129.A OE1 no hydrogen 2.822 N/A ASN 130.A N LYS 127.A O no hydrogen 2.861 N/A ASN 130.A ND2 ASP 125.A O no hydrogen 2.802 N/A ASN 130.A ND2 ASP 125.A OD2 no hydrogen 3.160 N/A LEU 132.A N LYS 140.A O no hydrogen 2.928 N/A ILE 133.A N GLN 83.A O no hydrogen 2.528 N/A ASN 134.A N ALA 138.A O no hydrogen 3.182 N/A ALA 138.A N ASN 134.A OD1 no hydrogen 3.254 N/A ILE 139.A N GLN 108.A OE1 no hydrogen 2.873 N/A LYS 140.A N LEU 132.A O no hydrogen 2.796 N/A LYS 140.A NZ GLU 79.A OE1 no hydrogen 2.688 N/A LYS 140.A NZ GLU 79.A OE2 no hydrogen 3.141 N/A LEU 141.A N ASN 60.A O no hydrogen 3.219 N/A ALA 142.A N ASN 130.A O no hydrogen 2.825 N/A PHE 144.A N GLU 49.A OE2 no hydrogen 2.895 N/A GLY 145.A N ASP 143.A OD1 no hydrogen 3.341 N/A ALA 147.A N PHE 144.A O no hydrogen 3.129 N/A ARG 148.A N LEU 122.A O no hydrogen 3.134 N/A PHE 150.A N ARG 120.A O no hydrogen 2.761 N/A GLY 151.A N TYR 157.A OH no hydrogen 3.180 N/A ARG 155.A N TYR 157.A OH no hydrogen 3.327 N/A THR 156.A OG1 LYS 175.A O no hydrogen 2.984 N/A HIS 158.A NE2 ILE 170.A O no hydrogen 3.079 N/A THR 162.A N ASP 125.A OD1 no hydrogen 3.375 N/A THR 162.A OG1 ASP 125.A OD1 no hydrogen 3.006 N/A TYR 165.A N THR 162.A O no hydrogen 2.805 N/A TYR 165.A OH GLU 192.A OE1 no hydrogen 2.436 N/A TYR 165.A OH GLU 192.A OE2 no hydrogen 3.101 N/A ARG 166.A N LEU 163.A O no hydrogen 2.980 N/A ARG 166.A NE VAL 161.A O no hydrogen 3.006 N/A ARG 166.A NH2 VAL 161.A O no hydrogen 2.700 N/A GLU 169.A N GLU 169.A OE1 no hydrogen 2.641 N/A ILE 170.A N ALA 167.A O no hydrogen 3.267 N/A LEU 172.A N PRO 168.A O no hydrogen 2.940 N/A GLY 173.A N ILE 170.A O no hydrogen 2.782 N/A CYS 174.A N GLU 169.A O no hydrogen 2.910 N/A CYS 174.A SG TYR 176.A O no hydrogen 3.478 N/A ASP 182.A N THR 179.A O no hydrogen 2.970 N/A ILE 183.A N THR 179.A O no hydrogen 3.313 N/A TRP 184.A N ALA 180.A O no hydrogen 2.746 N/A SER 185.A N VAL 181.A O no hydrogen 3.356 N/A SER 185.A OG TYR 165.A O no hydrogen 2.871 N/A SER 185.A OG VAL 181.A O no hydrogen 3.167 N/A LEU 186.A N ASP 182.A O no hydrogen 3.332 N/A GLY 187.A N ILE 183.A O no hydrogen 2.893 N/A CYS 188.A N TRP 184.A O no hydrogen 2.931 N/A CYS 188.A SG TRP 184.A O no hydrogen 3.648 N/A ILE 189.A N SER 185.A O no hydrogen 2.950 N/A PHE 190.A N LEU 186.A O no hydrogen 2.705 N/A ALA 191.A N GLY 187.A O no hydrogen 3.218 N/A GLU 192.A N CYS 188.A O no hydrogen 3.041 N/A MET 193.A N ILE 189.A O no hydrogen 2.831 N/A VAL 194.A N PHE 190.A O no hydrogen 3.167 N/A THR 195.A N ALA 191.A O no hydrogen 2.886 N/A THR 195.A OG1 ALA 191.A O no hydrogen 3.131 N/A ARG 196.A N GLU 192.A O no hydrogen 2.734 N/A ARG 196.A NH1 ALA 93.A O no hydrogen 3.250 N/A ARG 197.A N THR 195.A OG1 no hydrogen 3.156 N/A GLY 202.A N PHE 200.A O no hydrogen 3.151 N/A GLY 202.A N GLN 208.A OE1 no hydrogen 3.042 N/A ASP 207.A N SER 204.A OG no hydrogen 3.044 N/A GLN 208.A N SER 204.A O no hydrogen 2.914 N/A GLN 208.A NE2 TRP 164.A O no hydrogen 3.073 N/A GLN 208.A NE2 PHE 200.A O no hydrogen 2.958 N/A LEU 209.A N GLU 205.A O no hydrogen 3.166 N/A PHE 210.A N ILE 206.A O no hydrogen 2.913 N/A ARG 211.A N ASP 207.A O no hydrogen 2.905 N/A ARG 211.A NE ASP 207.A OD2 no hydrogen 2.706 N/A ILE 212.A N GLN 208.A O no hydrogen 3.126 N/A PHE 213.A N LEU 209.A O no hydrogen 2.938 N/A ARG 214.A N PHE 210.A O no hydrogen 2.814 N/A THR 215.A N ARG 211.A O no hydrogen 3.300 N/A THR 215.A N ILE 212.A O no hydrogen 3.027 N/A THR 215.A OG1 ARG 211.A O no hydrogen 2.746 N/A LEU 216.A N ILE 212.A O no hydrogen 2.786 N/A GLY 217.A N PHE 213.A O no hydrogen 2.559 N/A THR 218.A N TRP 240.A O no hydrogen 3.048 N/A THR 218.A OG1 PRO 238.A O no hydrogen 2.640 N/A VAL 222.A N ASP 220.A OD1 no hydrogen 2.989 N/A VAL 223.A N ASP 220.A OD1 no hydrogen 2.781 N/A TRP 224.A N ASP 220.A O no hydrogen 2.919 N/A GLY 226.A N GLU 221.A OE1 no hydrogen 3.043 N/A GLY 226.A N GLU 221.A OE2 no hydrogen 3.269 N/A VAL 227.A N TRP 224.A O no hydrogen 3.061 N/A THR 228.A N GLU 221.A OE2 no hydrogen 2.986 N/A THR 228.A OG1 GLU 221.A OE2 no hydrogen 2.624 N/A SER 229.A N GLY 226.A O no hydrogen 3.051 N/A SER 229.A OG GLY 226.A O no hydrogen 3.390 N/A MET 230.A N VAL 227.A O no hydrogen 2.964 N/A ASP 232.A N LEU 172.A O no hydrogen 2.972 N/A TYR 233.A N MET 230.A O no hydrogen 3.154 N/A PHE 237.A N LYS 234.A O no hydrogen 3.155 N/A LYS 239.A NZ TYR 233.A OH no hydrogen 3.494 N/A LYS 239.A NZ PRO 235.A O no hydrogen 3.003 N/A LYS 239.A NZ PHE 237.A O no hydrogen 2.874 N/A TRP 240.A N THR 218.A OG1 no hydrogen 3.161 N/A ARG 242.A NH1 LEU 216.A O no hydrogen 2.698 N/A SER 246.A OG ASP 244.A OD2 no hydrogen 2.844 N/A LYS 247.A N ASP 244.A O no hydrogen 2.833 N/A VAL 249.A N PHE 245.A O no hydrogen 2.862 N/A LEU 252.A N VAL 249.A O no hydrogen 3.268 N/A ASP 255.A N ASP 253.A OD1 no hydrogen 3.102 N/A GLY 256.A N ASP 253.A OD1 no hydrogen 2.870 N/A ARG 257.A N ASP 253.A O no hydrogen 2.877 N/A SER 258.A N GLU 254.A O no hydrogen 3.050 N/A SER 258.A OG GLN 262.A OE1 no hydrogen 3.206 N/A SER 258.A OG HIS 280.A NE2 no hydrogen 3.008 N/A LEU 259.A N ASP 255.A O no hydrogen 2.993 N/A LEU 260.A N GLY 256.A O no hydrogen 2.948 N/A SER 261.A N ARG 257.A O no hydrogen 3.048 N/A GLN 262.A N SER 258.A O no hydrogen 3.185 N/A MET 263.A N LEU 259.A O no hydrogen 2.863 N/A LEU 264.A N LEU 260.A O no hydrogen 2.936 N/A LEU 264.A N SER 261.A O no hydrogen 3.258 N/A TYR 266.A OH GLY 217.A O no hydrogen 2.598 N/A ASN 269.A N ASP 267.A OD1 no hydrogen 3.415 N/A LYS 270.A N ASP 267.A O no hydrogen 3.174 N/A ARG 271.A N ASP 267.A O no hydrogen 3.166 N/A ARG 271.A NE HIS 265.A O.A no hydrogen 2.732 N/A ARG 271.A NE HIS 265.A O.B no hydrogen 2.732 N/A ARG 271.A NH1 GLU 169.A OE1 no hydrogen 3.566 N/A ARG 271.A NH1 GLU 169.A OE2 no hydrogen 2.877 N/A ARG 271.A NH1 ALA 180.A O no hydrogen 2.909 N/A ARG 271.A NH2 GLU 169.A OE1 no hydrogen 2.994 N/A ARG 271.A NH2 GLU 169.A OE2 no hydrogen 3.520 N/A ARG 271.A NH2 HIS 265.A O.A no hydrogen 3.071 N/A ARG 271.A NH2 HIS 265.A O.B no hydrogen 3.134 N/A ARG 271.A NH2 TYR 266.A O no hydrogen 2.983 N/A ILE 272.A N GLN 262.A O no hydrogen 3.093 N/A ALA 276.A N SER 273.A OG no hydrogen 3.287 N/A ALA 277.A N SER 273.A O no hydrogen 3.016 N/A LEU 278.A N ALA 274.A O no hydrogen 2.949 N/A ALA 279.A N ALA 276.A O no hydrogen 3.224 N/A HIS 280.A N ALA 277.A O no hydrogen 2.955 N/A HIS 280.A NE2 SER 258.A OG no hydrogen 3.008 N/A PHE 282.A N HIS 280.A ND1 no hydrogen 3.054 N/A PHE 283.A N HIS 280.A O no hydrogen 2.830 N/A GLN 284.A N PRO 281.A O no hydrogen 2.919 N/A