Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1es3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A NZ THR 22.A O no hydrogen 2.708 N/A ALA 5.A N ASP 249.A OD2 no hydrogen 2.877 N/A ALA 6.A N ASP 249.A OD1 no hydrogen 2.725 N/A GLY 8.A N LEU 238.A O no hydrogen 3.275 N/A GLY 9.A N LYS 23.A O no hydrogen 2.872 N/A TYR 10.A N THR 236.A O no hydrogen 2.971 N/A TYR 10.A OH THR 19.A OG1 no hydrogen 2.882 N/A ALA 11.A N TYR 21.A O no hydrogen 3.342 N/A MET 12.A N ILE 234.A O no hydrogen 2.768 N/A ASN 13.A N THR 18.A O no hydrogen 2.949 N/A ASN 14.A N THR 232.A O no hydrogen 2.911 N/A ASN 14.A ND2 SER 160.A OG no hydrogen 2.810 N/A THR 16.A N ASN 13.A OD1 no hydrogen 2.841 N/A THR 16.A OG1 THR 18.A OG1 no hydrogen 3.271 N/A GLY 17.A N ASN 13.A O no hydrogen 2.673 N/A THR 18.A N THR 16.A OG1 no hydrogen 3.162 N/A THR 18.A OG1 THR 16.A OG1 no hydrogen 3.271 N/A THR 19.A OG1 TYR 10.A OH no hydrogen 2.882 N/A LEU 20.A N ALA 11.A O no hydrogen 2.895 N/A TYR 21.A N ALA 11.A O no hydrogen 3.247 N/A TYR 21.A OH PRO 2.A O no hydrogen 3.351 N/A THR 22.A OG1 TYR 21.A O no hydrogen 3.417 N/A LYS 23.A N GLY 9.A O no hydrogen 3.123 N/A LYS 23.A NZ ALA 6.A O no hydrogen 2.767 N/A ARG 28.A NE ASN 134.A OD1 no hydrogen 3.168 N/A ARG 28.A NH2 HIS 133.A O no hydrogen 3.418 N/A ARG 28.A NH2 ASN 134.A OD1 no hydrogen 3.327 N/A ARG 29.A N SER 150.A O no hydrogen 2.810 N/A ARG 29.A NH2 VAL 7.A O no hydrogen 3.172 N/A THR 31.A OG1 THR 35.A OG1 no hydrogen 2.924 N/A SER 33.A N SER 214.A O no hydrogen 3.289 N/A SER 33.A OG SER 214.A O no hydrogen 3.515 N/A THR 34.A N THR 31.A O no hydrogen 3.448 N/A THR 34.A OG1 THR 31.A O no hydrogen 2.758 N/A THR 35.A N GLY 32.A O no hydrogen 3.373 N/A THR 35.A OG1 GLY 32.A O no hydrogen 2.852 N/A THR 35.A OG1 ASN 148.A OD1 no hydrogen 2.964 N/A LYS 36.A N SER 33.A O no hydrogen 3.096 N/A ILE 37.A N THR 34.A O no hydrogen 3.148 N/A MET 38.A N THR 35.A O no hydrogen 2.993 N/A THR 39.A OG1 PHE 140.A O no hydrogen 2.754 N/A ALA 40.A N LYS 36.A O no hydrogen 3.129 N/A LYS 41.A N ILE 37.A O no hydrogen 3.089 N/A LYS 41.A NZ SER 161.A OG no hydrogen 2.808 N/A VAL 42.A N MET 38.A O no hydrogen 2.872 N/A VAL 43.A N THR 39.A O no hydrogen 3.037 N/A LEU 44.A N ALA 40.A O no hydrogen 2.949 N/A ALA 45.A N VAL 42.A O no hydrogen 3.166 N/A GLN 46.A N VAL 43.A O no hydrogen 3.024 N/A GLN 46.A NE2 VAL 42.A O no hydrogen 2.880 N/A ASP 52.A N ASN 50.A OD1 no hydrogen 2.866 N/A ALA 53.A N ASN 50.A O no hydrogen 3.024 N/A VAL 55.A N VAL 81.A O no hydrogen 2.670 N/A ILE 57.A N ASP 79.A O no hydrogen 2.825 N/A LYS 59.A NZ ASP 63.A OD1 no hydrogen 3.113 N/A LYS 59.A NZ ASP 63.A OD2 no hydrogen 2.810 N/A TYR 61.A N GLN 58.A O no hydrogen 3.135 N/A TYR 61.A OH ASP 104.A OD2 no hydrogen 2.867 N/A ASP 63.A N LYS 59.A O no hydrogen 2.953 N/A TYR 64.A N ALA 60.A O no hydrogen 3.026 N/A TYR 64.A OH ASP 141.A OD1 no hydrogen 3.222 N/A TYR 64.A OH ASP 141.A OD2 no hydrogen 2.388 N/A VAL 65.A N TYR 61.A O no hydrogen 3.467 N/A VAL 66.A N SER 62.A O no hydrogen 3.347 N/A ALA 67.A N ASP 63.A O no hydrogen 2.809 N/A ASN 68.A N TYR 64.A O no hydrogen 3.048 N/A ASN 69.A N VAL 66.A O no hydrogen 3.148 N/A ALA 70.A N VAL 65.A O no hydrogen 2.971 N/A SER 71.A OG PRO 93.A O no hydrogen 3.115 N/A ALA 73.A N ASP 97.A OD1 no hydrogen 3.356 N/A ALA 73.A N ASP 97.A OD2 no hydrogen 2.893 N/A LEU 75.A N ASP 97.A OD1 no hydrogen 3.185 N/A GLY 78.A N ILE 57.A O no hydrogen 2.848 N/A ASP 79.A N ILE 76.A O no hydrogen 2.923 N/A LYS 80.A N VAL 182.A O no hydrogen 2.860 N/A LYS 80.A NZ THR 56.A OG1 no hydrogen 3.211 N/A VAL 81.A N VAL 55.A O no hydrogen 2.834 N/A VAL 83.A N ALA 53.A O no hydrogen 2.850 N/A ARG 84.A N LEU 51.A O no hydrogen 2.968 N/A ARG 84.A NH1 ASP 52.A OD2 no hydrogen 2.697 N/A ARG 84.A NH2 ASP 52.A OD1 no hydrogen 3.536 N/A GLN 85.A N THR 82.A OG1 no hydrogen 3.148 N/A LEU 86.A N THR 82.A O no hydrogen 3.014 N/A LEU 87.A N VAL 83.A O no hydrogen 3.176 N/A LEU 87.A N ARG 84.A O no hydrogen 3.151 N/A TYR 88.A N GLN 85.A O no hydrogen 3.140 N/A GLY 89.A N GLN 85.A O no hydrogen 3.020 N/A LEU 90.A N LEU 86.A O no hydrogen 2.868 N/A MET 91.A N LEU 87.A O no hydrogen 3.206 N/A LEU 92.A N TYR 88.A O no hydrogen 2.936 N/A GLY 95.A N GLY 89.A O no hydrogen 2.820 N/A ALA 96.A N SER 71.A O no hydrogen 2.934 N/A ALA 98.A N GLY 95.A O no hydrogen 3.232 N/A ALA 98.A N ASP 97.A OD2 no hydrogen 3.114 N/A ALA 99.A N GLY 95.A O no hydrogen 3.056 N/A TYR 100.A N ALA 96.A O no hydrogen 3.149 N/A ALA 101.A N ASP 97.A O no hydrogen 3.162 N/A LEU 102.A N ALA 98.A O no hydrogen 2.979 N/A ALA 103.A N ALA 99.A O no hydrogen 2.953 N/A ASP 104.A N TYR 100.A O no hydrogen 2.969 N/A LYS 105.A N ALA 101.A O no hydrogen 3.162 N/A TYR 106.A N LEU 102.A O no hydrogen 2.926 N/A GLY 107.A N ALA 103.A O no hydrogen 2.993 N/A SER 108.A N SER 118.A OG no hydrogen 2.923 N/A ARG 112.A NE ASP 104.A OD2 no hydrogen 3.376 N/A ALA 114.A N THR 111.A OG1 no hydrogen 2.982 N/A ARG 115.A N THR 111.A O no hydrogen 2.841 N/A ARG 115.A NE ASP 104.A O no hydrogen 2.898 N/A ARG 115.A NE ASP 104.A OD1 no hydrogen 2.904 N/A ARG 115.A NH1 GLY 109.A O no hydrogen 3.255 N/A ARG 115.A NH2 ASP 104.A OD1 no hydrogen 2.788 N/A VAL 116.A N ARG 112.A O no hydrogen 2.986 N/A LYS 117.A N ALA 113.A O no hydrogen 3.437 N/A SER 118.A N ALA 114.A O no hydrogen 3.102 N/A PHE 119.A N ARG 115.A O no hydrogen 2.968 N/A ILE 120.A N VAL 116.A O no hydrogen 2.994 N/A GLY 121.A N LYS 117.A O no hydrogen 2.976 N/A LYS 122.A N SER 118.A O no hydrogen 2.957 N/A LYS 122.A NZ GLN 46.A OE1 no hydrogen 2.813 N/A LYS 122.A NZ TYR 106.A O no hydrogen 2.863 N/A MET 123.A N PHE 119.A O no hydrogen 2.969 N/A ASN 124.A N ILE 120.A O no hydrogen 3.234 N/A ASN 124.A ND2 ILE 120.A O no hydrogen 2.773 N/A ASN 124.A ND2 PHE 137.A O no hydrogen 3.147 N/A THR 125.A N GLY 121.A O no hydrogen 3.071 N/A THR 125.A OG1 GLY 121.A O no hydrogen 3.428 N/A ALA 126.A N LYS 122.A O no hydrogen 2.911 N/A ALA 127.A N MET 123.A O no hydrogen 3.322 N/A THR 128.A N ASN 124.A O no hydrogen 3.141 N/A THR 128.A OG1 ASN 124.A O no hydrogen 3.490 N/A ASN 129.A N THR 125.A O no hydrogen 2.867 N/A LEU 130.A N ALA 127.A O no hydrogen 2.932 N/A GLY 131.A N THR 128.A O no hydrogen 2.679 N/A LEU 132.A N ALA 127.A O no hydrogen 3.226 N/A ASN 134.A N ASP 154.A OD1 no hydrogen 3.123 N/A THR 135.A OG1 SER 150.A OG no hydrogen 2.806 N/A THR 135.A OG1 ASP 154.A OD1 no hydrogen 2.827 N/A HIS 136.A N TYR 149.A O no hydrogen 2.933 N/A PHE 137.A N ASN 124.A OD1 no hydrogen 2.778 N/A SER 139.A OG ASP 141.A OD1 no hydrogen 3.429 N/A GLY 142.A N SER 139.A OG no hydrogen 2.660 N/A ILE 143.A N ASP 141.A OD1 no hydrogen 2.894 N/A ASN 145.A ND2 ASP 138.A OD2 no hydrogen 2.952 N/A TYR 149.A N HIS 136.A O no hydrogen 2.885 N/A SER 150.A N ARG 29.A O no hydrogen 3.050 N/A SER 150.A OG THR 135.A OG1 no hydrogen 2.806 N/A THR 151.A OG1 ALA 25.A O no hydrogen 3.407 N/A ARG 153.A N ALA 25.A O no hydrogen 3.112 N/A ARG 153.A NE ASP 26.A OD1 no hydrogen 2.859 N/A ARG 153.A NE ASP 26.A OD2 no hydrogen 3.240 N/A ARG 153.A NH2 ASP 26.A OD2 no hydrogen 2.873 N/A ASP 154.A N THR 151.A OG1 no hydrogen 3.227 N/A LEU 155.A N THR 151.A O no hydrogen 3.125 N/A THR 156.A N PRO 152.A O no hydrogen 3.348 N/A THR 156.A OG1 PRO 152.A O no hydrogen 2.581 N/A THR 156.A OG1 THR 236.A OG1 no hydrogen 3.154 N/A LYS 157.A N ARG 153.A O no hydrogen 3.026 N/A ILE 158.A N ASP 154.A O no hydrogen 2.891 N/A ALA 159.A N LEU 155.A O no hydrogen 2.910 N/A SER 160.A N THR 156.A O no hydrogen 2.788 N/A SER 161.A N LYS 157.A O no hydrogen 3.123 N/A ALA 162.A N ILE 158.A O no hydrogen 3.106 N/A MET 163.A N ALA 159.A O no hydrogen 2.849 N/A ASN 165.A N ALA 162.A O no hydrogen 2.952 N/A PHE 168.A N ASN 165.A OD1 no hydrogen 2.837 N/A ARG 169.A N ASN 165.A O no hydrogen 3.117 N/A ARG 169.A NH1 MET 163.A O no hydrogen 2.711 N/A THR 170.A N SER 166.A O no hydrogen 2.968 N/A THR 170.A OG1 SER 166.A O no hydrogen 3.030 N/A VAL 171.A N THR 167.A O no hydrogen 3.079 N/A VAL 172.A N PHE 168.A O no hydrogen 3.051 N/A THR 174.A N VAL 171.A O no hydrogen 2.910 N/A THR 174.A OG1 THR 170.A O no hydrogen 2.956 N/A THR 174.A OG1 VAL 171.A O no hydrogen 3.400 N/A TYR 177.A N TRP 194.A O no hydrogen 2.866 N/A THR 178.A OG1 THR 193.A OG1 no hydrogen 2.849 N/A LYS 180.A NZ THR 178.A O no hydrogen 3.236 N/A THR 181.A N ARG 189.A O no hydrogen 2.762 N/A VAL 182.A N LYS 80.A O no hydrogen 3.338 N/A THR 183.A N SER 187.A O no hydrogen 2.560 N/A THR 183.A OG1 ASP 79.A OD2 no hydrogen 3.486 N/A GLY 186.A N THR 183.A O no hydrogen 2.908 N/A ARG 189.A N THR 181.A O no hydrogen 2.534 N/A ARG 189.A NE ASP 79.A OD1 no hydrogen 2.753 N/A ARG 189.A NH2 ASP 79.A OD1 no hydrogen 3.477 N/A ARG 189.A NH2 ASP 79.A OD2 no hydrogen 2.861 N/A MET 191.A N ALA 179.A O no hydrogen 2.989 N/A THR 193.A OG1 THR 178.A OG1 no hydrogen 2.849 N/A TRP 194.A N TYR 177.A O no hydrogen 2.763 N/A TRP 194.A NE1 ALA 73.A O no hydrogen 2.895 N/A ASN 196.A N LYS 175.A O no hydrogen 2.806 N/A ASN 196.A ND2 LEU 92.A O no hydrogen 3.392 N/A THR 197.A N LEU 92.A O no hydrogen 3.053 N/A THR 197.A OG1 LEU 92.A O no hydrogen 3.256 N/A THR 197.A OG1 THR 212.A OG1 no hydrogen 2.801 N/A GLY 199.A N GLU 247.A OE2 no hydrogen 3.118 N/A LEU 201.A N ASN 198.A O no hydrogen 3.394 N/A SER 202.A N GLY 199.A O no hydrogen 2.898 N/A SER 203.A N GLY 199.A O no hydrogen 2.995 N/A SER 203.A OG GLY 199.A O no hydrogen 3.437 N/A TYR 204.A N LEU 200.A O no hydrogen 2.818 N/A ALA 207.A N TYR 204.A O no hydrogen 2.952 N/A ILE 208.A N ALA 225.A O no hydrogen 2.841 N/A GLY 209.A N ALA 225.A O no hydrogen 3.309 N/A VAL 210.A N VAL 223.A O no hydrogen 2.726 N/A LYS 211.A N VAL 223.A O no hydrogen 2.937 N/A LYS 211.A NZ SER 94.A OG no hydrogen 2.825 N/A LYS 211.A NZ THR 212.A O no hydrogen 2.971 N/A THR 212.A OG1 THR 197.A OG1 no hydrogen 2.801 N/A GLY 213.A N CYS 221.A O no hydrogen 2.966 N/A SER 214.A N SER 33.A OG no hydrogen 2.984 N/A LYS 219.A N GLY 215.A O no hydrogen 2.866 N/A LYS 219.A NZ PRO 216.A O no hydrogen 2.646 N/A CYS 221.A N GLY 213.A O no hydrogen 2.634 N/A CYS 221.A SG ALA 218.A O no hydrogen 3.185 N/A CYS 221.A SG LYS 219.A O no hydrogen 3.917 N/A LEU 222.A N VAL 237.A O no hydrogen 2.990 N/A VAL 223.A N LYS 211.A O no hydrogen 2.814 N/A PHE 224.A N GLY 235.A O no hydrogen 3.014 N/A ALA 225.A N GLY 209.A O no hydrogen 3.257 N/A ALA 226.A N VAL 233.A O no hydrogen 2.962 N/A THR 227.A N GLY 206.A O no hydrogen 3.009 N/A ARG 228.A N LYS 231.A O no hydrogen 2.816 N/A ARG 228.A NE SER 205.A O no hydrogen 3.091 N/A ARG 228.A NH2 SER 205.A O no hydrogen 3.172 N/A ARG 228.A NH2 SER 205.A OG no hydrogen 3.159 N/A LYS 231.A N ARG 228.A O no hydrogen 3.251 N/A VAL 233.A N ALA 226.A O no hydrogen 2.806 N/A ILE 234.A N MET 12.A O no hydrogen 3.022 N/A GLY 235.A N PHE 224.A O no hydrogen 3.086 N/A THR 236.A N TYR 10.A O no hydrogen 2.795 N/A THR 236.A OG1 THR 156.A OG1 no hydrogen 3.154 N/A VAL 237.A N LEU 222.A O no hydrogen 2.892 N/A LEU 238.A N GLY 8.A O no hydrogen 2.839 N/A SER 240.A N TYR 220.A O no hydrogen 2.672 N/A SER 240.A OG ASP 249.A OD1 no hydrogen 2.805 N/A ALA 245.A N SER 242.A OG no hydrogen 2.997 N/A ARG 246.A N SER 242.A O no hydrogen 2.875 N/A ARG 246.A NE CYS 221.A O no hydrogen 3.101 N/A ARG 246.A NH2 GLY 213.A O no hydrogen 2.786 N/A ARG 246.A NH2 CYS 221.A O no hydrogen 3.190 N/A GLU 247.A N ILE 243.A O no hydrogen 3.294 N/A SER 248.A N PRO 244.A O no hydrogen 3.053 N/A ASP 249.A N ALA 245.A O no hydrogen 2.894 N/A ALA 250.A N ARG 246.A O no hydrogen 3.219 N/A THR 251.A N GLU 247.A O no hydrogen 3.015 N/A THR 251.A OG1 GLU 247.A O no hydrogen 2.924 N/A LYS 252.A N SER 248.A O no hydrogen 2.894 N/A LYS 252.A NZ THR 3.A O no hydrogen 2.501 N/A ILE 253.A N ASP 249.A O no hydrogen 3.026 N/A MET 254.A N ALA 250.A O no hydrogen 2.929 N/A ASN 255.A N THR 251.A O no hydrogen 2.978 N/A TYR 256.A N LYS 252.A O no hydrogen 3.090 N/A GLY 257.A N ILE 253.A O no hydrogen 2.892 N/A PHE 258.A N MET 254.A O no hydrogen 2.969 N/A ALA 259.A N TYR 256.A O no hydrogen 3.290 N/A