Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3esh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 2.A N ILE 5.A O no hydrogen 2.764 N/A GLY 3.A N ASP 193.A OD2 no hydrogen 2.589 N/A ASP 4.A N SER 190.A OG no hydrogen 2.715 N/A ILE 5.A N ILE 2.A O no hydrogen 2.721 N/A SER 6.A N GLN 51.A O no hydrogen 2.979 N/A HIS 8.A N LEU 49.A O no hydrogen 2.903 N/A TYR 9.A OH GLU 265.A O no hydrogen 2.929 N/A LEU 10.A N PRO 47.A O no hydrogen 2.808 N/A ASN 11.A N ASP 87.A OD2 no hydrogen 3.259 N/A GLY 13.A N ASN 11.A OD1 no hydrogen 3.240 N/A ASN 14.A ND2 ASN 42.A OD1 no hydrogen 3.144 N/A ASN 14.A ND2 GLY 77.A O no hydrogen 3.368 N/A THR 15.A N LEU 43.A O no hydrogen 2.934 N/A THR 15.A OG1 LEU 43.A O no hydrogen 3.383 N/A LYS 16.A N PHE 76.A O no hydrogen 2.745 N/A LYS 16.A NZ GLY 77.A O no hydrogen 3.083 N/A GLY 18.A N ASN 39.A O no hydrogen 2.553 N/A ALA 20.A N ASP 17.A O no hydrogen 3.136 N/A ALA 20.A N ASP 17.A OD2 no hydrogen 3.155 N/A VAL 24.A N PHE 21.A O no hydrogen 3.007 N/A LEU 28.A N PRO 25.A O no hydrogen 3.141 N/A TRP 29.A N PRO 25.A O no hydrogen 3.174 N/A SER 30.A N LYS 26.A O no hydrogen 2.654 N/A SER 30.A OG LYS 26.A O no hydrogen 2.670 N/A SER 30.A OG PRO 27.A O no hydrogen 3.455 N/A GLN 32.A N TRP 29.A O no hydrogen 2.875 N/A TYR 33.A N TRP 29.A O no hydrogen 2.927 N/A TYR 33.A OH ASN 42.A O no hydrogen 2.859 N/A ASN 36.A N GLN 40.A O no hydrogen 2.920 N/A ASN 36.A ND2 GLN 40.A OE1 no hydrogen 3.145 N/A ARG 38.A N ASN 36.A OD1 no hydrogen 2.653 N/A ASN 39.A N ASN 36.A O no hydrogen 2.969 N/A GLN 40.A N ASN 36.A OD1 no hydrogen 2.999 N/A LEU 43.A N THR 15.A O no hydrogen 2.774 N/A THR 45.A N GLY 13.A O no hydrogen 2.898 N/A THR 45.A OG1 GLY 12.A O no hydrogen 3.141 N/A THR 45.A OG1 THR 45.A O no hydrogen 2.566 N/A HIS 46.A N TYR 241.A O no hydrogen 3.296 N/A LEU 49.A N HIS 8.A O no hydrogen 2.664 N/A ILE 50.A N LEU 57.A O no hydrogen 2.697 N/A GLN 51.A N SER 6.A O no hydrogen 2.907 N/A GLN 51.A NE2 ASN 56.A OD1 no hydrogen 3.045 N/A THR 52.A N TYR 55.A O no hydrogen 2.773 N/A THR 52.A OG1 TYR 55.A O no hydrogen 3.154 N/A TYR 55.A N THR 52.A OG1 no hydrogen 2.771 N/A ASN 56.A N ASP 99.A OD2 no hydrogen 3.051 N/A ASN 56.A ND2 ASP 97.A O no hydrogen 3.135 N/A LEU 57.A N ILE 50.A O no hydrogen 2.807 N/A ILE 58.A N TYR 100.A O no hydrogen 2.924 N/A ILE 59.A N ILE 48.A O no hydrogen 3.019 N/A ALA 61.A N HIS 108.A O no hydrogen 2.938 N/A GLY 62.A N TYR 241.A OH no hydrogen 3.089 N/A ILE 63.A N GLY 12.A O no hydrogen 3.006 N/A GLY 66.A N GLU 81.A OE2 no hydrogen 2.791 N/A LYS 67.A NZ ALA 110.A O no hydrogen 2.943 N/A LYS 67.A NZ THR 113.A O no hydrogen 3.082 N/A LYS 67.A NZ THR 113.A OG1 no hydrogen 2.528 N/A SER 69.A N GLN 72.A OE1 no hydrogen 3.313 N/A GLN 72.A N SER 69.A OG no hydrogen 3.037 N/A LEU 73.A N SER 69.A O no hydrogen 2.928 N/A ARG 74.A N GLU 70.A O no hydrogen 3.213 N/A ASN 75.A N LYS 71.A O no hydrogen 2.958 N/A PHE 76.A N GLN 72.A O no hydrogen 2.840 N/A GLY 77.A N ARG 74.A O no hydrogen 3.148 N/A VAL 78.A N LEU 73.A O no hydrogen 3.068 N/A ASP 79.A N ASN 14.A OD1 no hydrogen 3.018 N/A GLU 80.A N ASN 14.A OD1 no hydrogen 3.310 N/A SER 82.A N GLY 64.A O no hydrogen 3.182 N/A HIS 83.A N ASN 11.A O no hydrogen 2.742 N/A ILE 84.A N SER 82.A OG no hydrogen 3.129 N/A ASP 87.A N HIS 83.A O no hydrogen 2.910 N/A LEU 88.A N ILE 84.A O no hydrogen 3.083 N/A ALA 89.A N ILE 85.A O no hydrogen 3.068 N/A ASN 90.A N ALA 86.A O no hydrogen 3.324 N/A ASN 90.A ND2 ASP 87.A O no hydrogen 3.257 N/A TYR 91.A N LEU 88.A O no hydrogen 2.907 N/A ASN 92.A N ALA 89.A O no hydrogen 2.519 N/A LEU 93.A N LEU 88.A O no hydrogen 3.181 N/A THR 94.A N ASP 97.A OD2 no hydrogen 2.857 N/A LYS 96.A N THR 94.A O no hydrogen 2.298 N/A ASP 97.A N THR 94.A O no hydrogen 2.730 N/A ASP 99.A N ASN 56.A O no hydrogen 2.841 N/A TYR 100.A N ASN 56.A O no hydrogen 3.332 N/A VAL 101.A N ILE 125.A O no hydrogen 2.926 N/A LEU 102.A N ILE 58.A O no hydrogen 2.909 N/A THR 103.A OG1 ASP 60.A OD2 no hydrogen 3.560 N/A THR 103.A OG1 HIS 104.A ND1 no hydrogen 2.438 N/A HIS 104.A ND1 THR 103.A OG1 no hydrogen 2.438 N/A HIS 104.A NE2 ASP 199.A OD2 no hydrogen 2.729 N/A HIS 108.A N HIS 105.A O no hydrogen 2.947 N/A ALA 109.A N HIS 105.A O no hydrogen 2.915 N/A ALA 110.A N PHE 106.A O no hydrogen 3.106 N/A GLY 111.A N GLY 62.A O no hydrogen 2.949 N/A LEU 112.A N ALA 109.A O no hydrogen 3.027 N/A THR 113.A OG1 ASP 114.A O no hydrogen 3.309 N/A HIS 118.A N ASP 114.A OD1 no hydrogen 3.298 N/A ILE 120.A N LEU 112.A O no hydrogen 2.953 N/A ASN 123.A ND2 LYS 96.A O no hydrogen 2.948 N/A ALA 124.A N PHE 121.A O no hydrogen 3.465 N/A ILE 125.A N ASP 99.A O no hydrogen 2.711 N/A HIS 126.A N LYS 158.A O no hydrogen 3.007 N/A VAL 127.A N VAL 101.A O no hydrogen 2.994 N/A VAL 128.A N ILE 160.A O no hydrogen 3.173 N/A GLN 129.A NE2 ASP 131.A OD2 no hydrogen 2.739 N/A GLN 130.A N PHE 162.A O no hydrogen 2.771 N/A TRP 133.A N GLN 129.A O no hydrogen 3.030 N/A HIS 134.A N GLN 130.A O no hydrogen 3.079 N/A GLU 135.A N ASP 131.A O no hydrogen 3.020 N/A PHE 136.A N GLU 132.A O no hydrogen 2.875 N/A ILE 137.A N TRP 133.A O no hydrogen 3.106 N/A ALA 138.A N HIS 134.A O no hydrogen 3.038 N/A ASN 140.A N SER 143.A OG no hydrogen 3.179 N/A ARG 142.A NE ASP 217.A OD1 no hydrogen 2.879 N/A ARG 142.A NH2 ALA 214.A O no hydrogen 3.137 N/A ARG 142.A NH2 TYR 215.A O no hydrogen 2.879 N/A ARG 142.A NH2 ASP 217.A OD1 no hydrogen 2.966 N/A SER 143.A OG GLU 135.A OE2 no hydrogen 2.788 N/A LYS 144.A N ASN 140.A O no hydrogen 3.023 N/A SER 145.A N ARG 142.A O no hydrogen 3.449 N/A SER 145.A OG ARG 142.A O no hydrogen 2.894 N/A THR 146.A N SER 143.A O no hydrogen 3.168 N/A TYR 147.A N SER 143.A O no hydrogen 2.820 N/A TYR 147.A OH GLU 132.A OE2 no hydrogen 2.515 N/A TRP 148.A NE1 SER 145.A O no hydrogen 2.775 N/A LYS 150.A NZ LYS 67.A O no hydrogen 3.156 N/A LYS 150.A NZ GLN 72.A OE1 no hydrogen 2.749 N/A ASN 151.A N TRP 148.A O no hydrogen 2.913 N/A LYS 152.A N ASP 149.A O no hydrogen 2.815 N/A ASP 154.A N GLY 117.A O no hydrogen 3.361 N/A TYR 155.A OH ASN 151.A O no hydrogen 2.549 N/A SER 156.A N GLY 153.A O no hydrogen 2.650 N/A SER 156.A OG GLY 153.A O no hydrogen 3.103 N/A ASN 157.A N ASP 154.A O no hydrogen 2.763 N/A LYS 158.A N TYR 155.A O no hydrogen 2.939 N/A LYS 158.A NZ GLU 122.A O no hydrogen 2.763 N/A ILE 160.A N HIS 126.A O no hydrogen 2.820 N/A PHE 162.A N VAL 128.A O no hydrogen 3.277 N/A GLY 171.A N GLU 167.A OE2 no hydrogen 3.451 N/A ILE 172.A N VAL 169.A O no hydrogen 3.107 N/A LYS 173.A N THR 187.A O no hydrogen 2.966 N/A HIS 175.A N LYS 164.A O no hydrogen 2.728 N/A SER 176.A N HIS 183.A O no hydrogen 2.753 N/A SER 176.A OG GLY 177.A O no hydrogen 2.925 N/A SER 176.A OG HIS 183.A ND1 no hydrogen 3.014 N/A SER 176.A OG HIS 183.A O no hydrogen 3.348 N/A GLY 177.A N HIS 183.A O no hydrogen 2.947 N/A HIS 179.A ND1 ASP 216.A OD1 no hydrogen 2.960 N/A HIS 179.A NE2 HIS 105.A ND1 no hydrogen 3.063 N/A SER 180.A OG GLU 132.A OE1 no hydrogen 2.647 N/A SER 180.A OG GLU 132.A OE2 no hydrogen 3.376 N/A SER 180.A OG TYR 147.A OH no hydrogen 2.929 N/A HIS 183.A N SER 180.A O no hydrogen 3.236 N/A HIS 183.A ND1 SER 176.A OG no hydrogen 3.014 N/A THR 184.A N THR 103.A O no hydrogen 2.725 N/A THR 184.A OG1 GLY 182.A O no hydrogen 3.207 N/A ILE 185.A N GLN 174.A O no hydrogen 3.063 N/A ILE 186.A N HIS 197.A O no hydrogen 3.024 N/A THR 187.A N LYS 173.A O no hydrogen 3.008 N/A THR 187.A OG1 LYS 173.A O no hydrogen 3.317 N/A ILE 188.A N ALA 195.A O no hydrogen 2.760 N/A GLU 189.A N GLY 171.A O no hydrogen 2.946 N/A SER 190.A N ASP 193.A O no hydrogen 3.255 N/A GLN 191.A NE2 ASP 4.A OD1 no hydrogen 2.660 N/A ASP 193.A N SER 190.A O no hydrogen 3.012 N/A LYS 194.A NZ GLU 189.A OE2 no hydrogen 2.725 N/A ALA 195.A N ILE 188.A O no hydrogen 2.847 N/A VAL 196.A N TRP 237.A O no hydrogen 2.784 N/A HIS 197.A N ILE 186.A O no hydrogen 2.854 N/A HIS 197.A ND1 LEU 239.A O no hydrogen 2.959 N/A ASP 199.A N HIS 183.A NE2 no hydrogen 2.959 N/A PHE 201.A N GLY 198.A O no hydrogen 3.164 N/A THR 203.A OG1 HIS 206.A ND1 no hydrogen 2.818 N/A THR 204.A N ASP 243.A OD1 no hydrogen 2.725 N/A THR 204.A OG1 ASP 243.A OD1 no hydrogen 2.855 N/A ALA 205.A N THR 203.A OG1 no hydrogen 3.235 N/A HIS 206.A N THR 203.A O no hydrogen 2.909 N/A HIS 206.A ND1 THR 203.A OG1 no hydrogen 2.818 N/A LEU 210.A N ASN 208.A OD1 no hydrogen 2.756 N/A TRP 211.A N ASN 208.A O no hydrogen 2.789 N/A THR 213.A OG1 ASP 216.A OD1 no hydrogen 2.533 N/A ALA 214.A N ALA 20.A O no hydrogen 2.661 N/A TYR 215.A N THR 213.A OG1 no hydrogen 3.071 N/A ASP 216.A N THR 213.A O no hydrogen 3.393 N/A ASP 216.A N THR 213.A OG1 no hydrogen 3.267 N/A ASP 217.A N HIS 179.A O no hydrogen 3.269 N/A TYR 218.A N GLY 178.A O no hydrogen 2.922 N/A GLN 220.A NE2 SER 176.A O no hydrogen 2.992 N/A SER 221.A N TYR 218.A O no hydrogen 3.186 N/A SER 221.A OG ASP 216.A OD2 no hydrogen 2.560 N/A ILE 222.A N PRO 219.A O no hydrogen 2.982 N/A GLU 224.A N GLN 220.A O no hydrogen 2.992 N/A LYS 225.A N SER 221.A O no hydrogen 2.940 N/A LYS 225.A NZ HIS 206.A O no hydrogen 2.753 N/A LYS 225.A NZ ASN 208.A O no hydrogen 3.031 N/A GLU 226.A N ILE 222.A O no hydrogen 2.715 N/A ARG 227.A N ARG 223.A O no hydrogen 3.382 N/A ARG 227.A N GLU 224.A O no hydrogen 3.278 N/A ARG 227.A NH1 GLU 224.A OE1 no hydrogen 3.199 N/A ARG 227.A NH2 GLN 174.A OE1 no hydrogen 3.395 N/A ILE 232.A N ILE 228.A O no hydrogen 2.950 N/A GLN 233.A N PRO 229.A O no hydrogen 2.927 N/A GLN 234.A N TYR 230.A O no hydrogen 2.924 N/A GLN 234.A NE2 GLN 233.A OE1 no hydrogen 2.600 N/A GLN 235.A N ILE 232.A O no hydrogen 2.822 N/A TYR 236.A N PHE 231.A O no hydrogen 2.769 N/A TRP 237.A N LYS 194.A O no hydrogen 2.941 N/A PHE 238.A N VAL 249.A O no hydrogen 2.715 N/A LEU 239.A N VAL 196.A O no hydrogen 2.764 N/A PHE 240.A N PHE 247.A O no hydrogen 2.803 N/A TYR 241.A OH ASP 107.A O no hydrogen 2.750 N/A HIS 242.A ND1 PRO 44.A O no hydrogen 2.928 N/A GLU 244.A N TYR 33.A OH no hydrogen 3.036 N/A ASN 245.A N ASP 243.A OD2 no hydrogen 3.095 N/A TYR 246.A N ASP 243.A OD2 no hydrogen 3.450 N/A PHE 247.A N ILE 262.A O no hydrogen 2.938 N/A ALA 248.A N ILE 262.A O no hydrogen 3.507 N/A VAL 249.A N PHE 238.A O no hydrogen 2.916 N/A LYS 250.A N ALA 260.A O no hydrogen 2.783 N/A LYS 250.A NZ GLN 235.A O no hydrogen 2.657 N/A SER 252.A N ASN 257.A O no hydrogen 3.014 N/A SER 252.A OG ASP 254.A OD2 no hydrogen 3.153 N/A SER 252.A OG ASN 257.A O no hydrogen 3.004 N/A SER 252.A OG ASP 259.A OD1 no hydrogen 2.950 N/A ALA 260.A N LYS 250.A O no hydrogen 3.296 N/A ILE 262.A N ALA 248.A O no hydrogen 3.003 N/A ARG 264.A N ASN 245.A O no hydrogen 2.789 N/A ARG 264.A NH1 ASP 243.A O no hydrogen 2.850 N/A ARG 264.A NH2 PHE 240.A O no hydrogen 3.448 N/A THR 266.A OG1 ARG 264.A O no hydrogen 3.532 N/A