Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1aq0_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 2.A N THR 272.A O no hydrogen 2.833 N/A VAL 3.A N SER 29.A O no hydrogen 2.935 N/A CYS 4.A N ILE 274.A O no hydrogen 2.796 N/A CYS 4.A SG TYR 33.A OH no hydrogen 3.410 N/A CYS 4.A SG SER 231.A O no hydrogen 3.236 N/A CYS 4.A SG ILE 274.A O no hydrogen 3.582 N/A TYR 5.A N ARG 31.A O no hydrogen 2.890 N/A SER 8.A N GLU 280.A OE1 no hydrogen 2.912 N/A ALA 9.A N MET 7.A O no hydrogen 2.879 N/A ASN 10.A N ASN 281.A OD1 no hydrogen 3.116 N/A THR 17.A N ALA 14.A O no hydrogen 2.984 N/A VAL 18.A N ALA 14.A O no hydrogen 3.122 N/A VAL 19.A N ALA 15.A O no hydrogen 2.956 N/A SER 20.A N SER 16.A O no hydrogen 3.196 N/A SER 20.A OG SER 16.A O no hydrogen 3.375 N/A MET 21.A N THR 17.A O no hydrogen 2.989 N/A PHE 22.A N VAL 18.A O no hydrogen 3.014 N/A LYS 23.A N VAL 19.A O no hydrogen 3.116 N/A SER 24.A N SER 20.A O no hydrogen 2.919 N/A SER 24.A OG SER 20.A O no hydrogen 3.082 N/A SER 24.A OG MET 21.A O no hydrogen 3.414 N/A ASN 25.A N MET 21.A O no hydrogen 3.088 N/A ASN 25.A ND2 MET 21.A O no hydrogen 2.724 N/A GLY 26.A N LYS 23.A O no hydrogen 3.200 N/A ILE 27.A N PHE 22.A O no hydrogen 2.969 N/A MET 30.A N ASN 49.A O no hydrogen 2.809 N/A ARG 31.A N VAL 3.A O no hydrogen 3.012 N/A ARG 31.A NH1 ASN 168.A OD1 no hydrogen 3.405 N/A ARG 31.A NH1 SER 231.A O no hydrogen 3.239 N/A ARG 31.A NH2 ASN 92.A OD1 no hydrogen 3.093 N/A LEU 32.A N VAL 51.A O no hydrogen 2.813 N/A TYR 33.A OH GLU 232.A OE2 no hydrogen 2.584 N/A ASN 36.A N ALA 34.A O no hydrogen 2.725 N/A ALA 39.A N ASN 36.A OD1 no hydrogen 2.920 N/A LEU 40.A N ASN 36.A O no hydrogen 2.905 N/A GLN 41.A N GLN 37.A O no hydrogen 2.987 N/A ALA 42.A N ALA 38.A O no hydrogen 3.055 N/A VAL 43.A N ALA 39.A O no hydrogen 2.891 N/A GLY 45.A N LYS 82.A O no hydrogen 2.747 N/A THR 46.A N VAL 43.A O no hydrogen 3.386 N/A THR 46.A OG1 VAL 43.A O no hydrogen 2.636 N/A ILE 48.A N THR 46.A OG1 no hydrogen 3.370 N/A ASN 49.A N LYS 28.A O no hydrogen 2.928 N/A VAL 50.A N SER 84.A O no hydrogen 2.882 N/A VAL 51.A N MET 30.A O no hydrogen 2.891 N/A VAL 52.A N TYR 87.A O no hydrogen 3.041 N/A GLY 53.A N LEU 32.A O no hydrogen 2.972 N/A ALA 54.A N CYS 89.A O no hydrogen 2.857 N/A ASN 56.A ND2 ASN 92.A O no hydrogen 2.953 N/A VAL 58.A N PRO 55.A O no hydrogen 3.050 N/A LEU 59.A N ASN 56.A O no hydrogen 3.325 N/A LEU 62.A N VAL 58.A O no hydrogen 3.197 N/A ALA 63.A N LEU 59.A O no hydrogen 2.966 N/A ALA 64.A N SER 60.A O no hydrogen 3.038 N/A SER 65.A N ASN 61.A O no hydrogen 3.101 N/A ALA 68.A N SER 65.A OG no hydrogen 3.260 N/A ALA 69.A N SER 65.A O no hydrogen 3.107 N/A ALA 70.A N PRO 66.A O no hydrogen 2.874 N/A SER 71.A N ALA 67.A O no hydrogen 2.920 N/A TRP 72.A N ALA 68.A O no hydrogen 2.823 N/A VAL 73.A N ALA 69.A O no hydrogen 2.964 N/A LYS 74.A N ALA 70.A O no hydrogen 2.960 N/A SER 75.A N SER 71.A O no hydrogen 2.927 N/A SER 75.A OG SER 71.A O no hydrogen 3.169 N/A ASN 76.A N TRP 72.A O no hydrogen 2.883 N/A ASN 76.A ND2 TRP 72.A O no hydrogen 3.137 N/A ILE 77.A N VAL 73.A O no hydrogen 2.839 N/A GLN 78.A N VAL 73.A O no hydrogen 2.958 N/A TYR 80.A N ILE 77.A O no hydrogen 3.012 N/A VAL 83.A N TYR 80.A O no hydrogen 3.184 N/A PHE 85.A N VAL 83.A O no hydrogen 3.044 N/A ARG 86.A N VAL 50.A O no hydrogen 2.812 N/A ARG 86.A NE GLU 271.A OE2 no hydrogen 2.953 N/A ARG 86.A NH2 GLU 271.A OE1 no hydrogen 3.169 N/A TYR 87.A OH GLU 271.A OE1 no hydrogen 2.714 N/A VAL 88.A N LYS 122.A O no hydrogen 2.890 N/A CYS 89.A N VAL 52.A O no hydrogen 2.792 N/A CYS 89.A SG GLY 91.A O no hydrogen 3.524 N/A VAL 90.A N THR 124.A O no hydrogen 2.821 N/A GLY 91.A N ALA 54.A O no hydrogen 2.984 N/A ASN 92.A N ASN 56.A OD1 no hydrogen 2.823 N/A GLU 93.A N SER 126.A O no hydrogen 2.810 N/A THR 99.A N GLY 96.A O no hydrogen 3.307 N/A THR 99.A OG1 GLY 96.A O no hydrogen 2.746 N/A ARG 100.A N GLY 97.A O no hydrogen 3.183 N/A ASN 101.A N ALA 98.A O no hydrogen 3.006 N/A LEU 102.A N THR 99.A O no hydrogen 3.319 N/A ALA 105.A N ASN 101.A O no hydrogen 2.960 N/A MET 106.A N LEU 102.A O no hydrogen 2.970 N/A LYS 107.A N VAL 103.A O no hydrogen 2.850 N/A ASN 108.A N PRO 104.A O no hydrogen 2.984 N/A ASN 108.A ND2 LEU 62.A O no hydrogen 2.756 N/A VAL 109.A N ALA 105.A O no hydrogen 2.973 N/A HIS 110.A N MET 106.A O no hydrogen 2.830 N/A GLY 111.A N LYS 107.A O no hydrogen 2.835 N/A ALA 112.A N ASN 108.A O no hydrogen 3.089 N/A LEU 113.A N VAL 109.A O no hydrogen 2.959 N/A VAL 114.A N HIS 110.A O no hydrogen 3.080 N/A ALA 115.A N GLY 111.A O no hydrogen 3.170 N/A ALA 116.A N ALA 112.A O no hydrogen 3.234 N/A ALA 116.A N LEU 113.A O no hydrogen 3.259 N/A GLY 117.A N VAL 114.A O no hydrogen 2.846 N/A LEU 118.A N LEU 113.A O no hydrogen 2.882 N/A ILE 121.A N LEU 118.A O no hydrogen 3.034 N/A LYS 122.A N ARG 86.A O no hydrogen 3.369 N/A LYS 122.A NZ THR 161.A O no hydrogen 3.119 N/A THR 124.A N VAL 88.A O no hydrogen 2.993 N/A THR 124.A OG1 THR 125.A O no hydrogen 3.274 N/A THR 124.A OG1 PRO 164.A O no hydrogen 2.613 N/A THR 125.A N THR 124.A OG1 no hydrogen 2.628 N/A THR 125.A OG1 VAL 90.A O no hydrogen 2.779 N/A SER 126.A OG ASN 92.A OD1 no hydrogen 3.364 N/A SER 126.A OG SER 231.A OG no hydrogen 2.816 N/A VAL 127.A N MET 166.A O no hydrogen 2.894 N/A GLN 129.A NE2 TYR 170.A O no hydrogen 3.123 N/A ALA 130.A N SER 128.A OG no hydrogen 3.178 N/A ILE 131.A N SER 128.A O no hydrogen 3.209 N/A LEU 132.A N GLN 129.A O no hydrogen 3.128 N/A GLY 133.A N SER 142.A O no hydrogen 2.568 N/A VAL 134.A N SER 142.A O no hydrogen 3.236 N/A SER 139.A N ASP 198.A OD2 no hydrogen 2.916 N/A SER 139.A OG ASP 198.A OD1 no hydrogen 2.666 N/A SER 139.A OG ASP 198.A OD2 no hydrogen 3.300 N/A ALA 140.A N PRO 137.A O no hydrogen 2.792 N/A GLY 141.A N PRO 138.A O no hydrogen 3.102 N/A SER 142.A N VAL 134.A O no hydrogen 3.223 N/A SER 142.A OG ALA 140.A O no hydrogen 3.546 N/A THR 144.A N ILE 131.A O no hydrogen 2.876 N/A ALA 147.A N THR 144.A OG1 no hydrogen 3.038 N/A ALA 148.A N THR 144.A O no hydrogen 2.813 N/A ALA 149.A N GLU 146.A O no hydrogen 3.287 N/A PHE 150.A N ALA 147.A O no hydrogen 3.083 N/A MET 151.A N ALA 147.A O no hydrogen 2.799 N/A GLY 152.A N ALA 148.A O no hydrogen 3.126 N/A VAL 154.A N PHE 150.A O no hydrogen 3.250 N/A VAL 155.A N MET 151.A O no hydrogen 2.862 N/A GLN 156.A N GLY 152.A O no hydrogen 3.009 N/A GLN 156.A NE2 HIS 221.A O no hydrogen 3.632 N/A PHE 157.A N PRO 153.A O no hydrogen 2.932 N/A LEU 158.A N VAL 154.A O no hydrogen 2.973 N/A ALA 159.A N VAL 155.A O no hydrogen 2.846 N/A ARG 160.A N GLN 156.A O no hydrogen 3.129 N/A THR 161.A N PHE 157.A O no hydrogen 3.079 N/A THR 161.A OG1 PHE 157.A O no hydrogen 2.918 N/A THR 161.A OG1 LEU 158.A O no hydrogen 3.453 N/A ASN 162.A N ALA 159.A O no hydrogen 3.390 N/A ALA 163.A N LEU 158.A O no hydrogen 3.040 N/A LEU 165.A N LYS 227.A O no hydrogen 2.956 N/A MET 166.A N THR 125.A O no hydrogen 3.160 N/A ALA 167.A N VAL 229.A O no hydrogen 2.884 N/A ASN 168.A N VAL 127.A O no hydrogen 2.886 N/A ASN 168.A ND2 ASN 92.A OD1 no hydrogen 3.217 N/A ASN 168.A ND2 GLU 93.A OE2 no hydrogen 2.881 N/A ILE 169.A N GLU 232.A O no hydrogen 2.969 N/A TYR 170.A N GLN 129.A OE1 no hydrogen 2.876 N/A TYR 170.A OH GLU 232.A OE1 no hydrogen 2.679 N/A TYR 172.A OH THR 241.A O no hydrogen 2.853 N/A ALA 174.A N TYR 170.A O no hydrogen 3.231 N/A TRP 175.A N PRO 171.A O no hydrogen 2.966 N/A ALA 176.A N TYR 172.A O no hydrogen 2.769 N/A TYR 177.A N LEU 173.A O no hydrogen 3.213 N/A ASN 178.A N TRP 175.A O no hydrogen 2.988 N/A SER 180.A OG ASN 178.A OD1 no hydrogen 2.902 N/A ALA 181.A N ASN 178.A O no hydrogen 3.029 N/A TYR 186.A N ASP 183.A O no hydrogen 3.132 N/A TYR 186.A OH THR 209.A OG1 no hydrogen 2.747 N/A ALA 187.A N MET 184.A O no hydrogen 3.015 N/A LEU 188.A N MET 184.A O no hydrogen 2.905 N/A ASN 190.A N GLY 185.A O no hydrogen 2.821 N/A VAL 195.A N TYR 203.A O no hydrogen 2.797 N/A VAL 196.A N TYR 203.A O no hydrogen 3.047 N/A ASP 198.A N TYR 201.A O no hydrogen 2.775 N/A TYR 201.A N ASP 198.A O no hydrogen 3.027 N/A TYR 203.A N VAL 196.A O no hydrogen 2.830 N/A TYR 203.A OH ASP 212.A OD2 no hydrogen 2.670 N/A ASN 205.A ND2 ASP 208.A OD2 no hydrogen 2.968 N/A LEU 206.A N TYR 186.A O no hydrogen 2.984 N/A ASP 208.A N ASN 205.A OD1 no hydrogen 2.840 N/A THR 209.A N ASN 205.A O no hydrogen 3.414 N/A THR 209.A OG1 TYR 186.A OH no hydrogen 2.747 N/A THR 209.A OG1 ASN 205.A O no hydrogen 3.235 N/A THR 210.A N LEU 206.A O no hydrogen 2.932 N/A THR 210.A OG1 LEU 206.A O no hydrogen 2.811 N/A VAL 211.A N PHE 207.A O no hydrogen 3.003 N/A ASP 212.A N ASP 208.A O no hydrogen 2.975 N/A ALA 213.A N THR 209.A O no hydrogen 2.895 N/A PHE 214.A N THR 210.A O no hydrogen 2.980 N/A TYR 215.A N VAL 211.A O no hydrogen 3.082 N/A THR 216.A N ASP 212.A O no hydrogen 3.037 N/A THR 216.A OG1 PRO 138.A O no hydrogen 2.800 N/A THR 216.A OG1 ASP 212.A O no hydrogen 3.135 N/A ALA 217.A N ALA 213.A O no hydrogen 3.007 N/A MET 218.A N PHE 214.A O no hydrogen 2.936 N/A GLY 219.A N TYR 215.A O no hydrogen 3.027 N/A LYS 220.A N THR 216.A O no hydrogen 3.147 N/A LYS 220.A NZ GLY 141.A O no hydrogen 2.950 N/A HIS 221.A N MET 218.A O no hydrogen 2.974 N/A GLY 222.A N GLY 219.A O no hydrogen 3.362 N/A GLY 223.A N MET 218.A O no hydrogen 2.893 N/A VAL 226.A N GLY 223.A O no hydrogen 3.053 N/A LEU 228.A N TYR 215.A OH no hydrogen 2.955 N/A VAL 229.A N LEU 165.A O no hydrogen 2.894 N/A VAL 230.A N GLU 271.A O no hydrogen 2.931 N/A SER 231.A N ALA 167.A O no hydrogen 2.901 N/A SER 231.A OG SER 126.A OG no hydrogen 2.816 N/A SER 231.A OG ASN 168.A OD1 no hydrogen 2.702 N/A SER 233.A OG ILE 169.A O no hydrogen 2.816 N/A SER 233.A OG TYR 251.A OH no hydrogen 2.811 N/A TRP 235.A NE1 ALA 242.A O no hydrogen 3.048 N/A SER 237.A N ASN 290.A O no hydrogen 2.886 N/A SER 237.A OG ASN 290.A O no hydrogen 3.451 N/A ALA 243.A N GLY 240.A O no hydrogen 3.149 N/A ASN 247.A N THR 244.A OG1 no hydrogen 3.129 N/A ASN 247.A ND2 ALA 242.A O no hydrogen 2.845 N/A ALA 248.A N THR 244.A O no hydrogen 2.942 N/A ARG 249.A N PRO 245.A O no hydrogen 2.980 N/A PHE 250.A N ALA 246.A O no hydrogen 3.057 N/A TYR 251.A N ASN 247.A O no hydrogen 2.957 N/A TYR 251.A OH SER 233.A OG no hydrogen 2.811 N/A ASN 252.A N ALA 248.A O no hydrogen 2.959 N/A GLN 253.A N ARG 249.A O no hydrogen 2.806 N/A GLN 253.A NE2 GLN 253.A O no hydrogen 3.352 N/A GLN 253.A NE2 ASN 257.A OD1 no hydrogen 3.470 N/A GLN 253.A NE2 ASN 305.A O no hydrogen 3.043 N/A HIS 254.A N PHE 250.A O no hydrogen 3.015 N/A HIS 254.A ND1 PHE 250.A O no hydrogen 2.870 N/A LEU 255.A N TYR 251.A O no hydrogen 2.852 N/A ILE 256.A N ASN 252.A O no hydrogen 3.053 N/A ASN 257.A N GLN 253.A O no hydrogen 3.132 N/A HIS 258.A N LEU 255.A O no hydrogen 3.001 N/A HIS 258.A NE2 ASP 208.A OD1 no hydrogen 2.771 N/A VAL 259.A N LEU 255.A O no hydrogen 3.012 N/A ARG 261.A N HIS 258.A O no hydrogen 3.116 N/A THR 263.A N HIS 266.A O no hydrogen 3.090 N/A THR 263.A OG1 ASP 212.A OD1 no hydrogen 2.635 N/A THR 263.A OG1 ASP 212.A OD2 no hydrogen 3.324 N/A THR 263.A OG1 HIS 266.A O no hydrogen 3.455 N/A ARG 265.A N ASP 212.A OD2 no hydrogen 3.182 N/A ARG 265.A NH1 ASP 198.A OD2 no hydrogen 2.778 N/A ARG 265.A NH1 TYR 203.A OH no hydrogen 2.765 N/A HIS 266.A N THR 263.A O no hydrogen 3.183 N/A HIS 266.A N THR 263.A OG1 no hydrogen 3.019 N/A HIS 266.A ND1 ASP 212.A OD1 no hydrogen 3.083 N/A GLY 268.A N ARG 261.A O no hydrogen 3.008 N/A ILE 270.A N VAL 259.A O no hydrogen 2.923 N/A THR 272.A OG1 ILE 270.A O no hydrogen 3.068 N/A TYR 273.A N VAL 230.A O no hydrogen 2.892 N/A TYR 273.A OH GLU 271.A OE2 no hydrogen 2.779 N/A ILE 274.A N GLY 2.A O no hydrogen 2.870 N/A PHE 275.A N SER 233.A O no hydrogen 2.800 N/A ALA 276.A N TRP 291.A O no hydrogen 2.982 N/A MET 277.A N CYS 4.A O no hydrogen 2.937 N/A ASN 279.A N PHE 294.A O no hydrogen 3.322 N/A ASN 281.A ND2 ASN 10.A OD1 no hydrogen 2.774 N/A GLN 282.A N SER 8.A O no hydrogen 2.981 N/A LYS 283.A N GLU 280.A O no hydrogen 3.435 N/A GLN 289.A N GLY 286.A O no hydrogen 3.255 N/A GLN 289.A NE2 LYS 283.A O no hydrogen 2.867 N/A ASN 290.A N VAL 287.A O no hydrogen 2.781 N/A ASN 290.A ND2 GLY 286.A O no hydrogen 2.928 N/A TRP 291.A NE1 GLU 288.A OE2 no hydrogen 3.081 N/A GLY 292.A N ASN 279.A OD1 no hydrogen 2.877 N/A LEU 293.A N ALA 276.A O no hydrogen 2.975 N/A LEU 293.A N MET 277.A O no hydrogen 3.150 N/A PHE 294.A N MET 277.A O no hydrogen 2.908 N/A TYR 295.A N GLN 299.A O no hydrogen 2.767 N/A ASN 297.A ND2 GLN 299.A OE1 no hydrogen 3.227 N/A MET 298.A N TYR 295.A O no hydrogen 2.876 N/A GLN 299.A N ASN 297.A OD1 no hydrogen 3.087 N/A VAL 301.A N LEU 293.A O no hydrogen 2.885 N/A TYR 302.A OH ASN 252.A OD1 no hydrogen 3.055 N/A ASN 305.A N GLN 253.A OE1 no hydrogen 2.983 N/A