Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2a1d_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 11.A OG GLU 70.A OE2 no hydrogen 2.369 N/A ARG 12.A N GLU 70.A OE1 no hydrogen 2.898 N/A ARG 12.A N GLU 70.A OE2 no hydrogen 3.343 N/A VAL 13.A N SER 11.A OG no hydrogen 3.277 N/A ASN 14.A N GLU 121.A OE1 no hydrogen 2.472 N/A SER 17.A N GLU 15.A O no hydrogen 2.454 N/A SER 17.A OG ASN 14.A O no hydrogen 2.561 N/A SER 17.A OG GLU 121.A OE1 no hydrogen 3.159 N/A SER 17.A OG GLU 121.A OE2 no hydrogen 3.373 N/A LYS 18.A N GLU 15.A O no hydrogen 3.472 N/A LYS 18.A NZ GLU 15.A O no hydrogen 2.521 N/A GLY 20.A N SER 17.A O no hydrogen 3.045 N/A LEU 28.A N ASP 25.A O no hydrogen 2.928 N/A LYS 29.A N ASP 25.A O no hydrogen 3.072 N/A LYS 29.A NZ THR 110.A OG1 no hydrogen 3.378 N/A LEU 32.A N LEU 28.A O no hydrogen 3.153 N/A THR 33.A OG1 LYS 29.A O no hydrogen 2.908 N/A SER 34.A N GLY 30.A O no hydrogen 2.938 N/A SER 34.A OG GLN 38.A OE1 no hydrogen 3.307 N/A SER 34.A OG TYR 119.A OH no hydrogen 2.496 N/A LEU 35.A N ARG 31.A O no hydrogen 2.884 N/A GLU 36.A N LEU 32.A O no hydrogen 2.989 N/A SER 37.A N THR 33.A O no hydrogen 2.904 N/A GLN 38.A N SER 34.A O no hydrogen 3.138 N/A GLN 38.A N LEU 35.A O no hydrogen 2.642 N/A PHE 39.A N LEU 35.A O no hydrogen 3.204 N/A ILE 40.A N GLU 36.A O no hydrogen 2.901 N/A ASN 41.A N SER 37.A O no hydrogen 3.307 N/A ALA 42.A N GLN 38.A O no hydrogen 2.796 N/A LEU 43.A N PHE 39.A O no hydrogen 2.905 N/A ASP 44.A N ILE 40.A O no hydrogen 3.288 N/A ILE 45.A N ASN 41.A O no hydrogen 3.277 N/A LEU 46.A N LEU 43.A O no hydrogen 2.785 N/A GLU 47.A N LEU 43.A O no hydrogen 3.480 N/A THR 48.A OG1 ASP 44.A O no hydrogen 2.863 N/A THR 48.A OG1 ILE 45.A O no hydrogen 2.825 N/A HIS 50.A NE2 TYR 56.A OH no hydrogen 3.102 N/A TYR 51.A N THR 48.A O no hydrogen 2.936 N/A GLY 52.A N TYR 49.A O no hydrogen 2.855 N/A GLU 53.A N TYR 51.A O no hydrogen 2.389 N/A TYR 56.A OH HIS 50.A NE2 no hydrogen 3.102 N/A TYR 56.A OH GLU 141.A OE1 no hydrogen 3.069 N/A LYS 57.A NZ ASP 61.A OD1 no hydrogen 2.780 N/A ALA 59.A N TYR 56.A O no hydrogen 2.811 N/A LYS 60.A N TYR 56.A O no hydrogen 2.946 N/A LYS 60.A N LYS 57.A O no hydrogen 2.570 N/A ASP 61.A N LYS 57.A O no hydrogen 2.790 N/A LYS 62.A NZ ASP 136.A OD1 no hydrogen 3.524 N/A MET 64.A N LYS 60.A O no hydrogen 2.903 N/A THR 65.A N ASP 61.A O no hydrogen 2.875 N/A THR 65.A OG1 ASP 61.A O no hydrogen 3.070 N/A ARG 66.A N LYS 62.A O no hydrogen 3.144 N/A ARG 66.A NH1 SER 125.A OG no hydrogen 3.124 N/A ARG 66.A NH1 SER 128.A OG no hydrogen 3.186 N/A ARG 66.A NH2 ASP 132.A OD2 no hydrogen 3.230 N/A ILE 67.A N LEU 63.A O no hydrogen 2.835 N/A LEU 68.A N MET 64.A O no hydrogen 3.031 N/A LEU 68.A N THR 65.A O no hydrogen 2.853 N/A GLY 69.A N THR 65.A O no hydrogen 2.921 N/A ASP 71.A N ILE 67.A O no hydrogen 3.192 N/A GLN 72.A N LEU 68.A O no hydrogen 2.546 N/A GLN 72.A NE2 GLU 76.A OE2 no hydrogen 3.328 N/A TYR 73.A N GLY 69.A O no hydrogen 3.459 N/A TYR 73.A OH GLU 118.A OE1 no hydrogen 2.970 N/A LEU 74.A N GLU 70.A O no hydrogen 3.381 N/A LEU 75.A N ASP 71.A O no hydrogen 2.923 N/A GLU 76.A N GLN 72.A O no hydrogen 2.804 N/A ARG 77.A N TYR 73.A O no hydrogen 2.823 N/A LYS 78.A N LEU 74.A O no hydrogen 2.871 N/A LYS 78.A NZ TYR 109.A O no hydrogen 2.435 N/A LYS 79.A N LEU 75.A O no hydrogen 2.632 N/A LYS 79.A NZ GLU 76.A OE2 no hydrogen 2.788 N/A VAL 80.A N GLU 76.A O no hydrogen 2.992 N/A VAL 80.A N ARG 77.A O no hydrogen 3.260 N/A GLN 81.A N ARG 77.A O no hydrogen 2.803 N/A TYR 82.A N LYS 78.A O no hydrogen 2.901 N/A TYR 82.A OH LYS 104.A O no hydrogen 2.375 N/A GLU 84.A N GLN 81.A O no hydrogen 3.207 N/A TYR 85.A N TYR 82.A O no hydrogen 2.546 N/A LYS 86.A N TYR 82.A O no hydrogen 2.801 N/A LYS 86.A NZ GLU 83.A OE2 no hydrogen 3.054 N/A LYS 87.A NZ GLU 84.A OE2 no hydrogen 2.924 N/A LEU 88.A N GLU 84.A O no hydrogen 3.488 N/A TYR 89.A N LYS 86.A O no hydrogen 2.817 N/A TYR 89.A OH LEU 101.A O no hydrogen 3.009 N/A GLN 90.A N LYS 86.A O no hydrogen 2.900 N/A GLN 90.A NE2 GLU 94.A OE1 no hydrogen 2.947 N/A LYS 91.A N LYS 87.A O no hydrogen 2.950 N/A TYR 92.A N TYR 89.A O no hydrogen 2.899 N/A LYS 93.A N TYR 89.A O no hydrogen 2.994 N/A LYS 93.A N GLN 90.A O no hydrogen 2.688 N/A LYS 93.A NZ SER 99.A OG no hydrogen 3.339 N/A GLU 94.A N GLN 90.A O no hydrogen 3.140 N/A GLU 95.A N LYS 93.A O no hydrogen 2.584 N/A ASN 96.A N LYS 93.A O no hydrogen 2.814 N/A SER 99.A OG LEU 101.A O no hydrogen 3.311 N/A LYS 102.A NZ SER 99.A O no hydrogen 3.214 N/A LYS 104.A N TYR 85.A OH no hydrogen 3.298 N/A GLN 108.A N THR 105.A O no hydrogen 2.622 N/A TYR 109.A N THR 105.A O no hydrogen 2.797 N/A TYR 109.A OH GLU 112.A OE1 no hydrogen 2.885 N/A THR 110.A OG1 ILE 111.A O no hydrogen 3.372 N/A GLU 112.A N GLN 81.A OE1 no hydrogen 2.651 N/A ASP 113.A N GLN 81.A OE1 no hydrogen 3.001 N/A THR 115.A OG1 SER 17.A O no hydrogen 2.995 N/A GLU 118.A N THR 115.A OG1 no hydrogen 3.036 N/A TYR 119.A N THR 115.A O no hydrogen 3.343 N/A TYR 119.A OH SER 34.A OG no hydrogen 2.496 N/A ASN 120.A N MET 116.A O no hydrogen 3.020 N/A GLU 121.A N ARG 117.A O no hydrogen 3.386 N/A LEU 122.A N GLU 118.A O no hydrogen 3.103 N/A LEU 122.A N TYR 119.A O no hydrogen 3.168 N/A THR 123.A N TYR 119.A O no hydrogen 3.183 N/A THR 123.A OG1 TYR 119.A O no hydrogen 2.649 N/A THR 123.A OG1 ASN 120.A O no hydrogen 3.257 N/A GLU 124.A N ASN 120.A O no hydrogen 2.761 N/A SER 125.A N LEU 122.A O no hydrogen 2.912 N/A SER 125.A OG GLU 70.A OE1 no hydrogen 2.515 N/A LEU 126.A N LEU 122.A O no hydrogen 3.011 N/A LYS 127.A N THR 123.A O no hydrogen 2.647 N/A LYS 127.A NZ GLU 124.A OE2 no hydrogen 2.603 N/A SER 128.A OG ASP 132.A OD2 no hydrogen 3.070 N/A ALA 129.A N SER 125.A O no hydrogen 2.556 N/A VAL 130.A N LEU 126.A O no hydrogen 3.049 N/A LYS 131.A N LYS 127.A O no hydrogen 3.521 N/A ASP 132.A N SER 128.A O no hydrogen 2.987 N/A PHE 133.A N ALA 129.A O no hydrogen 2.894 N/A GLU 134.A N VAL 130.A O no hydrogen 2.956 N/A LYS 135.A N LYS 131.A O no hydrogen 3.353 N/A LYS 135.A N ASP 132.A O no hydrogen 3.055 N/A ASP 136.A N ASP 132.A O no hydrogen 3.105 N/A VAL 137.A N PHE 133.A O no hydrogen 2.963 N/A GLU 138.A N GLU 134.A O no hydrogen 3.008 N/A LYS 139.A N LYS 135.A O no hydrogen 2.965 N/A ILE 140.A N ASP 136.A O no hydrogen 3.102 N/A GLU 141.A N VAL 137.A O no hydrogen 2.900 N/A ASN 142.A N LYS 139.A O no hydrogen 2.772 N/A HIS 144.A N GLU 141.A O no hydrogen 3.289 N/A LEU 147.A N HIS 144.A O no hydrogen 2.709 N/A LYS 148.A N HIS 145.A O no hydrogen 3.068 N/A LYS 148.A NZ GLU 141.A OE2 no hydrogen 3.424 N/A LYS 148.A NZ ASN 142.A OD1 no hydrogen 3.552 N/A MET 154.A N THR 151.A OG1 no hydrogen 2.866 N/A GLU 155.A N THR 151.A O no hydrogen 2.747 N/A LYS 157.A N GLU 153.A O no hydrogen 2.922 N/A ALA 158.A N MET 154.A O no hydrogen 3.030 N/A THR 159.A OG1 GLU 155.A O no hydrogen 3.189 N/A SER 160.A N GLU 156.A O no hydrogen 2.996 N/A SER 160.A OG GLU 156.A O no hydrogen 3.081 N/A SER 160.A OG LYS 157.A O no hydrogen 2.303 N/A ARG 161.A N LYS 157.A O no hydrogen 3.217 N/A ARG 161.A NH2 GLU 212.A OE1 no hydrogen 2.985 N/A VAL 162.A N ALA 158.A O no hydrogen 3.332 N/A ASP 163.A N THR 159.A O no hydrogen 2.866 N/A ASP 164.A N SER 160.A O no hydrogen 2.861 N/A LEU 165.A N ARG 161.A O no hydrogen 2.892 N/A ALA 166.A N VAL 162.A O no hydrogen 2.671 N/A ASN 167.A N ASP 163.A O no hydrogen 2.825 N/A ASN 167.A ND2 ASP 163.A OD2 no hydrogen 3.131 N/A ALA 169.A N LEU 165.A O no hydrogen 2.954 N/A ALA 169.A N ALA 166.A O no hydrogen 2.787 N/A TYR 170.A N ALA 166.A O no hydrogen 3.104 N/A SER 171.A OG ASN 167.A O no hydrogen 3.280 N/A SER 171.A OG THR 239.A O no hydrogen 3.001 N/A TYR 173.A N ALA 169.A O no hydrogen 2.744 N/A PHE 174.A N TYR 170.A O no hydrogen 3.135 N/A ALA 175.A N SER 171.A O no hydrogen 2.858 N/A PHE 176.A N VAL 172.A O no hydrogen 3.032 N/A PHE 176.A N TYR 173.A O no hydrogen 2.849 N/A VAL 177.A N TYR 173.A O no hydrogen 2.797 N/A HIS 182.A N ASP 179.A O no hydrogen 2.619 N/A LYS 183.A NZ VAL 177.A O no hydrogen 3.424 N/A GLU 185.A N GLU 185.A OE1 no hydrogen 2.344 N/A ALA 186.A N HIS 182.A O no hydrogen 3.110 N/A LEU 187.A N LYS 183.A O no hydrogen 3.096 N/A GLU 188.A N THR 184.A O no hydrogen 2.858 N/A LEU 189.A N GLU 185.A O no hydrogen 3.317 N/A LYS 190.A N ALA 186.A O no hydrogen 2.943 N/A LYS 190.A NZ ASP 194.A OD1 no hydrogen 3.565 N/A LYS 190.A NZ ASP 194.A OD2 no hydrogen 2.641 N/A ALA 191.A N LEU 187.A O no hydrogen 2.777 N/A LYS 192.A N GLU 188.A O no hydrogen 2.807 N/A LYS 192.A NZ ASP 225.A OD1 no hydrogen 2.835 N/A VAL 193.A N LEU 189.A O no hydrogen 2.859 N/A VAL 193.A N LYS 190.A O no hydrogen 3.175 N/A ASP 194.A N LYS 190.A O no hydrogen 3.086 N/A LEU 195.A N ALA 191.A O no hydrogen 3.209 N/A VAL 196.A N LYS 192.A O no hydrogen 3.342 N/A LEU 197.A N VAL 193.A O no hydrogen 2.630 N/A GLY 198.A N ASP 194.A O no hydrogen 3.190 N/A LYS 202.A N ASP 201.A OD2 no hydrogen 2.712 N/A ARG 205.A NE SER 207.A OG no hydrogen 3.335 N/A GLU 209.A N ASP 146.A O no hydrogen 2.578 N/A ARG 210.A NH1 GLU 55.A OE2 no hydrogen 2.799 N/A ILE 211.A N ASN 208.A OD1 no hydrogen 2.749 N/A LYS 213.A N GLU 209.A O no hydrogen 3.015 N/A GLU 214.A N ARG 210.A O no hydrogen 2.844 N/A MET 215.A N ILE 211.A O no hydrogen 2.941 N/A ILE 216.A N GLU 212.A O no hydrogen 3.418 N/A ILE 216.A N LYS 213.A O no hydrogen 3.016 N/A LYS 217.A N LYS 213.A O no hydrogen 3.378 N/A ASP 218.A N GLU 214.A O no hydrogen 2.746 N/A LEU 219.A N MET 215.A O no hydrogen 2.956 N/A GLU 220.A N ILE 216.A O no hydrogen 2.314 N/A SER 221.A N LYS 217.A O no hydrogen 2.599 N/A SER 221.A OG LYS 217.A O no hydrogen 2.885 N/A SER 221.A OG ASP 218.A O no hydrogen 3.041 N/A ILE 222.A N ASP 218.A O no hydrogen 3.182 N/A ILE 223.A N LEU 219.A O no hydrogen 3.085 N/A ILE 223.A N GLU 220.A O no hydrogen 2.970 N/A GLU 224.A N GLU 220.A O no hydrogen 3.178 N/A ASP 225.A N SER 221.A O no hydrogen 2.614 N/A PHE 226.A N ILE 222.A O no hydrogen 3.385 N/A PHE 227.A N ILE 223.A O no hydrogen 3.427 N/A ILE 228.A N GLU 224.A O no hydrogen 2.926 N/A GLU 229.A N ASP 225.A O no hydrogen 3.342 N/A THR 230.A N PHE 226.A O no hydrogen 3.006 N/A THR 230.A OG1 PHE 226.A O no hydrogen 2.994 N/A GLY 231.A N ILE 228.A O no hydrogen 3.098 N/A LYS 234.A NZ GLU 224.A OE2 no hydrogen 3.222 N/A THR 239.A OG1 GLU 261.A OE1 no hydrogen 3.395 N/A THR 239.A OG1 GLU 261.A OE2 no hydrogen 2.694 N/A SER 240.A OG ASP 164.A OD1 no hydrogen 2.503 N/A SER 240.A OG ASP 164.A OD2 no hydrogen 2.986 N/A TYR 241.A OH HIS 246.A O no hydrogen 3.239 N/A ASP 242.A N HIS 246.A NE2 no hydrogen 3.012 N/A SER 244.A N ASP 242.A OD2 no hydrogen 3.203 N/A LYS 245.A N ASP 242.A O no hydrogen 2.832 N/A HIS 246.A N ASP 242.A O no hydrogen 3.242 N/A LYS 249.A N HIS 247.A ND1 no hydrogen 3.243 N/A ASN 250.A ND2 HIS 247.A ND1 no hydrogen 2.979 N/A HIS 251.A N HIS 247.A O no hydrogen 2.881 N/A PHE 255.A N HIS 251.A O no hydrogen 2.915 N/A PHE 255.A N SER 252.A O no hydrogen 2.776 N/A GLU 256.A N SER 252.A O no hydrogen 2.772 N/A ALA 257.A N GLU 253.A O no hydrogen 2.916 N/A LEU 258.A N GLY 254.A O no hydrogen 3.069 N/A VAL 259.A N PHE 255.A O no hydrogen 3.136 N/A LYS 260.A N GLU 256.A O no hydrogen 2.827 N/A GLU 261.A N ALA 257.A O no hydrogen 3.177 N/A THR 262.A N LEU 258.A O no hydrogen 3.068 N/A THR 262.A OG1 LEU 258.A O no hydrogen 2.625 N/A ARG 263.A N VAL 259.A O no hydrogen 2.731 N/A ARG 263.A NH1 ASP 179.A OD1 no hydrogen 2.940 N/A ARG 263.A NH2 ALA 175.A O no hydrogen 2.853 N/A ARG 263.A NH2 ASP 179.A OD1 no hydrogen 3.378 N/A GLU 264.A N LYS 260.A O no hydrogen 2.902 N/A ALA 265.A N GLU 261.A O no hydrogen 2.799 N/A VAL 266.A N THR 262.A O no hydrogen 2.896 N/A ALA 267.A N ARG 263.A O no hydrogen 2.730 N/A ASN 268.A N GLU 264.A O no hydrogen 2.882 N/A ASN 268.A N ALA 265.A O no hydrogen 3.117 N/A ALA 269.A N ALA 265.A O no hydrogen 2.790 N/A SER 272.A N ASP 270.A OD1 no hydrogen 2.538 N/A SER 272.A OG ASP 270.A OD1 no hydrogen 2.357 N/A SER 272.A OG ASP 270.A OD2 no hydrogen 3.157 N/A THR 275.A OG1 SER 272.A O no hydrogen 2.862 N/A LYS 276.A N TRP 273.A O no hydrogen 2.528 N/A THR 277.A N TRP 273.A O no hydrogen 3.344 N/A THR 277.A OG1 LYS 279.A O no hydrogen 2.967 N/A VAL 278.A N GLU 224.A OE1 no hydrogen 2.696 N/A VAL 278.A N GLU 224.A OE2 no hydrogen 3.397 N/A LYS 279.A NZ ASP 225.A OD1 no hydrogen 3.169 N/A LYS 279.A NZ ASP 225.A OD2 no hydrogen 2.613 N/A TYR 281.A N LYS 279.A O no hydrogen 2.924 N/A TYR 281.A OH ASP 225.A OD2 no hydrogen 2.590 N/A