Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5dro_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N TYR 122.A OH no hydrogen 3.032 N/A GLU 3.A N ARG 118.A O no hydrogen 2.731 N/A LYS 4.A N THR 84.A OG1 no hydrogen 3.105 N/A LYS 4.A NZ LEU 2.A O no hydrogen 2.872 N/A THR 5.A N LEU 114.A O no hydrogen 2.939 N/A THR 5.A OG1 GLU 30.A O no hydrogen 3.541 N/A THR 5.A OG1 ASN 85.A O no hydrogen 2.667 N/A VAL 6.A N THR 5.A OG1 no hydrogen 2.696 N/A LYS 7.A N ASN 112.A O no hydrogen 2.775 N/A LYS 7.A NZ GLU 8.A OE2 no hydrogen 2.720 N/A LYS 7.A NZ ASN 112.A OD1 no hydrogen 2.895 N/A LEU 10.A N ILE 27.A O no hydrogen 3.033 N/A PHE 12.A N LEU 25.A O no hydrogen 2.866 N/A GLY 14.A N SER 23.A O no hydrogen 3.255 N/A GLY 16.A N GLU 21.A O no hydrogen 2.953 N/A HIS 18.A N GLU 94.A OE1 no hydrogen 3.190 N/A HIS 18.A N GLU 94.A OE2 no hydrogen 3.109 N/A HIS 18.A NE2 HIS 57.A O no hydrogen 3.107 N/A THR 19.A N GLU 94.A OE1 no hydrogen 2.797 N/A THR 19.A OG1 GLU 94.A OE1 no hydrogen 2.785 N/A GLY 20.A N GLY 16.A O no hydrogen 2.991 N/A GLU 21.A N THR 19.A OG1 no hydrogen 3.281 N/A TYR 22.A OH GLU 13.A OE2 no hydrogen 2.426 N/A SER 23.A N GLY 14.A O no hydrogen 2.933 N/A SER 23.A OG GLU 94.A O no hydrogen 2.602 N/A LYS 24.A N ILE 91.A O no hydrogen 2.883 N/A LYS 24.A NZ GLU 13.A OE1 no hydrogen 2.656 N/A LYS 24.A NZ GLU 13.A OE2 no hydrogen 3.318 N/A LEU 25.A N PHE 12.A O no hydrogen 2.751 N/A ILE 26.A N GLU 89.A O no hydrogen 2.877 N/A ILE 27.A N LEU 10.A O no hydrogen 2.783 N/A HIS 28.A N THR 87.A O no hydrogen 2.810 N/A HIS 28.A NE2 GLU 89.A OE2 no hydrogen 2.666 N/A GLU 30.A N THR 5.A OG1 no hydrogen 3.090 N/A GLU 32.A N GLU 32.A OE1 no hydrogen 2.577 N/A GLY 33.A N GLU 3.A OE1 no hydrogen 2.993 N/A THR 34.A N ASN 85.A OD1 no hydrogen 2.911 N/A THR 34.A OG1 LYS 31.A O.A no hydrogen 2.561 N/A THR 34.A OG1 LYS 31.A O.B no hydrogen 2.562 N/A GLY 35.A N ASN 85.A OD1 no hydrogen 2.768 N/A ARG 37.A N VAL 86.A O no hydrogen 3.273 N/A ARG 37.A NE THR 87.A OG1 no hydrogen 3.229 N/A ARG 37.A NH2 GLU 30.A OE2 no hydrogen 3.399 N/A PHE 38.A N ILE 45.A O no hydrogen 2.655 N/A PHE 39.A N ILE 88.A O no hydrogen 2.900 N/A LYS 40.A N VAL 43.A O no hydrogen 2.956 N/A LYS 40.A NZ ARG 67.A O no hydrogen 2.653 N/A LYS 40.A NZ GLY 92.A O no hydrogen 3.073 N/A LYS 40.A NZ ASN 93.A OD1 no hydrogen 2.985 N/A ASN 41.A ND2 GLN 66.A OE1 no hydrogen 2.777 N/A VAL 43.A N LYS 40.A O no hydrogen 3.017 N/A ILE 45.A N PHE 38.A O no hydrogen 2.702 N/A ALA 47.A N ILE 36.A O no hydrogen 2.945 N/A ARG 48.A N PRO 46.A O no hydrogen 2.697 N/A ARG 48.A NE GLU 50.A OE1 no hydrogen 3.106 N/A ARG 48.A NH2 GLU 50.A OE2 no hydrogen 3.112 N/A HIS 49.A N LEU 236.A O no hydrogen 2.884 N/A GLU 50.A N GLU 50.A OE1 no hydrogen 2.873 N/A PHE 51.A N ARG 48.A O no hydrogen 3.074 N/A VAL 52.A N HIS 49.A O no hydrogen 3.214 N/A VAL 53.A N ASP 60.A O no hydrogen 2.829 N/A THR 55.A OG1 SER 253.A OG no hydrogen 2.953 N/A SER 58.A OG ASP 60.A OD1 no hydrogen 2.936 N/A THR 59.A N GLU 72.A OE1 no hydrogen 2.918 N/A THR 59.A OG1 ASP 233.A OD1 no hydrogen 2.756 N/A THR 59.A OG1 HIS 252.A ND1 no hydrogen 3.150 N/A ASP 60.A N HIS 54.A O no hydrogen 2.881 N/A LEU 61.A N ILE 68.A O no hydrogen 2.977 N/A GLY 62.A N PHE 51.A O no hydrogen 2.761 N/A PHE 63.A N GLN 66.A O no hydrogen 2.861 N/A GLN 66.A N PHE 63.A O no hydrogen 3.078 N/A ILE 68.A N LEU 61.A O no hydrogen 2.860 N/A LYS 69.A N ASN 93.A O no hydrogen 2.956 N/A LYS 69.A NZ ASP 60.A OD2 no hydrogen 2.753 N/A THR 70.A N ASP 60.A OD1 no hydrogen 2.890 N/A THR 70.A OG1 GLU 94.A OE2 no hydrogen 2.594 N/A VAL 71.A N THR 59.A O no hydrogen 2.999 N/A GLU 72.A N GLU 72.A OE1 no hydrogen 2.789 N/A LEU 75.A N VAL 71.A O no hydrogen 3.154 N/A SER 76.A N GLU 72.A O no hydrogen 3.003 N/A SER 76.A OG PHE 228.A O no hydrogen 2.733 N/A VAL 77.A N HIS 73.A O no hydrogen 3.235 N/A LEU 78.A N ILE 74.A O no hydrogen 3.093 N/A HIS 79.A N LEU 75.A O no hydrogen 2.869 N/A HIS 79.A ND1 ILE 231.A O no hydrogen 2.862 N/A LEU 80.A N SER 76.A O no hydrogen 2.790 N/A LEU 81.A N VAL 77.A O no hydrogen 3.022 N/A GLU 82.A N HIS 79.A O no hydrogen 3.064 N/A ILE 83.A N LEU 78.A O no hydrogen 2.854 N/A THR 84.A N LYS 4.A O no hydrogen 3.009 N/A THR 84.A OG1 LYS 4.A O no hydrogen 3.424 N/A ASN 85.A N LYS 4.A O no hydrogen 3.070 N/A ASN 85.A ND2 GLU 3.A OE1 no hydrogen 2.585 N/A ASN 85.A ND2 GLN 116.A OE1 no hydrogen 2.860 N/A THR 87.A N HIS 28.A O no hydrogen 3.075 N/A THR 87.A OG1 GLU 30.A OE2 no hydrogen 2.377 N/A ILE 88.A N ARG 37.A O no hydrogen 2.768 N/A GLU 89.A N ILE 26.A O no hydrogen 2.743 N/A VAL 90.A N PHE 39.A O no hydrogen 2.875 N/A ILE 91.A N LYS 24.A O no hydrogen 2.782 N/A ASN 93.A ND2 GLU 21.A OE1 no hydrogen 2.953 N/A ILE 95.A N LYS 69.A O no hydrogen 3.161 N/A ILE 97.A N VAL 15.A O no hydrogen 3.069 N/A GLY 100.A N ILE 97.A O no hydrogen 2.899 N/A SER 101.A N ASP 99.A OD1 no hydrogen 2.940 N/A SER 101.A OG ASP 99.A OD1 no hydrogen 2.664 N/A SER 101.A OG ASP 99.A OD2 no hydrogen 3.230 N/A SER 101.A OG VAL 174.A O no hydrogen 3.433 N/A GLY 102.A N VAL 174.A O no hydrogen 3.031 N/A TRP 103.A N SER 101.A OG no hydrogen 3.311 N/A TYR 106.A N GLY 102.A O no hydrogen 2.827 N/A TYR 106.A OH GLU 171.A OE2 no hydrogen 2.756 N/A GLU 107.A N TRP 103.A O no hydrogen 2.808 N/A ALA 108.A N GLU 104.A O no hydrogen 3.247 N/A ILE 109.A N PHE 105.A O no hydrogen 3.018 N/A ARG 110.A N TYR 106.A O no hydrogen 2.899 N/A ARG 110.A NH1 GLU 171.A OE2 no hydrogen 2.851 N/A LYS 111.A N GLU 107.A O no hydrogen 3.236 N/A ASN 112.A N ILE 109.A O no hydrogen 2.903 N/A ASN 112.A ND2 ALA 108.A O no hydrogen 2.853 N/A LEU 114.A N THR 5.A O no hydrogen 2.699 N/A GLN 116.A N GLU 3.A O no hydrogen 2.777 N/A GLN 116.A NE2 GLU 30.A O no hydrogen 2.725 N/A ASN 117.A N GLU 32.A OE2 no hydrogen 3.187 N/A ILE 120.A N GLY 1.A O no hydrogen 2.950 N/A TYR 122.A OH GLU 82.A OE1 no hydrogen 2.738 N/A PHE 123.A N PRO 240.A O no hydrogen 2.885 N/A VAL 125.A N LYS 242.A O no hydrogen 3.016 N/A GLU 126.A N GLN 266.A OE1 no hydrogen 3.007 N/A ILE 129.A N ALA 140.A O no hydrogen 2.855 N/A VAL 131.A N ILE 138.A O no hydrogen 2.925 N/A ASP 133.A N ARG 136.A O no hydrogen 2.863 N/A ARG 136.A N ASP 133.A O no hydrogen 3.309 N/A ARG 136.A NH1 ARG 249.A O no hydrogen 2.519 N/A LEU 137.A N PHE 248.A O no hydrogen 3.102 N/A ILE 138.A N VAL 131.A O no hydrogen 2.917 N/A LYS 139.A N TYR 246.A O no hydrogen 2.783 N/A ALA 140.A N ILE 129.A O no hydrogen 2.865 N/A GLU 141.A N LYS 244.A O no hydrogen 2.940 N/A SER 143.A OG THR 145.A O no hydrogen 2.695 N/A THR 145.A N SER 143.A OG no hydrogen 3.305 N/A LEU 146.A N GLU 167.A OE2 no hydrogen 2.797 N/A GLU 147.A N GLY 243.A O no hydrogen 2.994 N/A VAL 148.A N PHE 165.A O no hydrogen 2.949 N/A THR 149.A N PHE 245.A O no hydrogen 2.838 N/A THR 149.A OG1 THR 164.A OG1 no hydrogen 2.709 N/A TYR 150.A N PHE 163.A O no hydrogen 3.023 N/A TYR 150.A OH GLY 250.A O no hydrogen 2.807 N/A GLU 151.A N SER 247.A O no hydrogen 2.749 N/A GLY 152.A N GLN 161.A O no hydrogen 2.913 N/A PHE 154.A N GLY 159.A O no hydrogen 3.066 N/A ASN 156.A ND2 GLY 206.A O no hydrogen 3.006 N/A PHE 157.A N LYS 207.A O no hydrogen 3.066 N/A LEU 158.A N ASN 156.A OD1 no hydrogen 3.150 N/A GLY 159.A N ASN 156.A O no hydrogen 2.998 N/A ARG 160.A NE GLU 151.A OE2 no hydrogen 3.148 N/A GLN 161.A N GLY 152.A O no hydrogen 3.263 N/A GLN 161.A NE2 GLU 219.A O no hydrogen 3.047 N/A PHE 163.A N TYR 150.A O no hydrogen 3.026 N/A THR 164.A OG1 THR 149.A OG1 no hydrogen 2.709 N/A PHE 165.A N VAL 148.A O no hydrogen 2.705 N/A GLY 168.A N GLU 170.A OE1 no hydrogen 3.035 N/A GLY 168.A N GLU 170.A OE2 no hydrogen 3.020 N/A ASN 169.A N VAL 166.A O no hydrogen 3.025 N/A GLU 170.A N GLU 170.A OE1 no hydrogen 2.785 N/A GLU 172.A N ASN 169.A O no hydrogen 3.037 N/A ILE 173.A N GLU 170.A O no hydrogen 3.341 N/A ALA 176.A N ILE 173.A O no hydrogen 3.362 N/A ARG 177.A N GLU 221.A OE2 no hydrogen 2.892 N/A ARG 177.A NE GLU 221.A OE2 no hydrogen 2.758 N/A ARG 177.A NH1 GLU 214.A OE2 no hydrogen 2.645 N/A ARG 177.A NH2 GLY 215.A O no hydrogen 2.943 N/A ARG 177.A NH2 GLU 221.A OE1 no hydrogen 2.956 N/A ARG 177.A NH2 GLU 221.A OE2 no hydrogen 3.556 N/A THR 178.A N GLY 100.A O no hydrogen 2.848 N/A ALA 180.A N LEU 203.A O no hydrogen 2.954 N/A PHE 181.A N GLU 184.A OE2 no hydrogen 2.873 N/A ASP 182.A N LEU 205.A O no hydrogen 2.972 N/A GLU 184.A N PHE 181.A O no hydrogen 3.177 N/A ILE 188.A N GLU 184.A O no hydrogen 2.908 N/A LYS 189.A N ILE 185.A O no hydrogen 2.966 N/A LYS 189.A NZ GLY 194.A O no hydrogen 2.888 N/A LYS 190.A N GLU 186.A O no hydrogen 3.078 N/A VAL 191.A N HIS 187.A O no hydrogen 3.173 N/A GLY 192.A N LYS 189.A O no hydrogen 3.323 N/A LEU 193.A N ILE 188.A O no hydrogen 2.944 N/A GLY 194.A N HIS 18.A ND1 no hydrogen 3.200 N/A LYS 195.A N HIS 18.A O no hydrogen 2.983 N/A GLY 196.A N ILE 17.A O no hydrogen 2.708 N/A GLY 197.A N GLY 194.A O no hydrogen 3.056 N/A SER 198.A N ASN 201.A OD1 no hydrogen 3.028 N/A LYS 200.A N SER 198.A OG no hydrogen 3.177 N/A ASN 201.A N SER 198.A O no hydrogen 3.202 N/A ASN 201.A ND2 GLY 196.A O no hydrogen 2.872 N/A THR 202.A OG1 ASN 201.A OD1 no hydrogen 2.872 N/A LEU 203.A N THR 178.A O no hydrogen 3.036 N/A VAL 204.A N ASN 212.A OD1 no hydrogen 2.849 N/A LEU 205.A N ALA 180.A O no hydrogen 2.866 N/A GLY 206.A N LYS 209.A O no hydrogen 2.786 N/A TYR 211.A N VAL 204.A O no hydrogen 2.995 N/A TYR 211.A OH ASP 182.A OD2 no hydrogen 2.805 N/A ASN 212.A ND2 LEU 199.A O no hydrogen 3.030 N/A ASN 212.A ND2 THR 202.A O no hydrogen 2.894 N/A GLU 214.A N GLU 214.A OE1 no hydrogen 2.638 N/A GLY 215.A N ASN 212.A O no hydrogen 2.909 N/A ARG 217.A N GLU 221.A OE1 no hydrogen 2.846 N/A ARG 217.A NH1 ASP 99.A OD2 no hydrogen 3.148 N/A ARG 217.A NH1 LEU 175.A O no hydrogen 2.813 N/A ARG 217.A NH2 ASP 99.A OD2 no hydrogen 2.950 N/A GLU 221.A N TYR 218.A O no hydrogen 3.158 N/A ARG 224.A N ASN 220.A O no hydrogen 3.246 N/A ARG 224.A NE ASN 220.A OD1 no hydrogen 2.774 N/A ARG 224.A NH1 GLU 172.A O no hydrogen 2.815 N/A ARG 224.A NH1 GLU 172.A OE1 no hydrogen 2.990 N/A HIS 225.A N GLU 221.A O no hydrogen 3.054 N/A HIS 225.A ND1 ALA 176.A O no hydrogen 2.827 N/A LYS 226.A N PRO 222.A O no hydrogen 3.046 N/A VAL 227.A N VAL 223.A O no hydrogen 3.095 N/A PHE 228.A N ARG 224.A O no hydrogen 3.021 N/A ASP 229.A N HIS 225.A O no hydrogen 2.715 N/A LEU 230.A N LYS 226.A O no hydrogen 3.015 N/A ILE 231.A N VAL 227.A O no hydrogen 2.999 N/A GLY 232.A N PHE 228.A O no hydrogen 3.224 N/A ASP 233.A N ASP 229.A O no hydrogen 3.004 N/A LEU 234.A N LEU 230.A O no hydrogen 2.743 N/A TYR 235.A N GLY 232.A O no hydrogen 3.154 N/A TYR 235.A OH ILE 83.A O no hydrogen 2.732 N/A LEU 236.A N ASP 233.A O no hydrogen 3.052 N/A LEU 237.A N LEU 234.A O no hydrogen 3.200 N/A GLY 238.A N TYR 235.A O no hydrogen 3.079 N/A SER 239.A OG.A ASP 121.A O no hydrogen 3.400 N/A SER 239.A OG.B ASP 121.A O no hydrogen 2.206 N/A VAL 241.A N HIS 79.A NE2 no hydrogen 2.963 N/A LYS 242.A N PHE 123.A O no hydrogen 2.822 N/A LYS 242.A NZ GLU 82.A OE2 no hydrogen 3.325 N/A LYS 242.A NZ GLU 167.A OE2 no hydrogen 2.375 N/A LYS 244.A N GLU 141.A O no hydrogen 2.762 N/A PHE 245.A N GLU 147.A O no hydrogen 2.719 N/A TYR 246.A N LYS 139.A O no hydrogen 2.911 N/A TYR 246.A OH GLU 151.A OE1 no hydrogen 2.505 N/A SER 247.A N THR 149.A O no hydrogen 2.719 N/A PHE 248.A N LEU 137.A O no hydrogen 2.701 N/A ARG 249.A N GLU 151.A O no hydrogen 2.913 N/A HIS 252.A ND1 ASP 233.A OD2 no hydrogen 2.750 N/A SER 253.A OG THR 55.A O no hydrogen 2.550 N/A SER 253.A OG THR 55.A OG1 no hydrogen 2.953 N/A ASN 255.A N GLY 251.A O no hydrogen 2.881 N/A ASN 255.A ND2 ASP 233.A OD2 no hydrogen 2.847 N/A VAL 256.A N HIS 252.A O no hydrogen 2.894 N/A LYS 257.A N SER 253.A O no hydrogen 2.984 N/A LYS 257.A NZ GLU 132.A O no hydrogen 3.490 N/A LEU 258.A N LEU 254.A O no hydrogen 3.016 N/A VAL 259.A N ASN 255.A O no hydrogen 3.017 N/A LYS 260.A N VAL 256.A O no hydrogen 2.836 N/A LYS 260.A NZ HIS 49.A O no hydrogen 3.027 N/A GLU 261.A N LYS 257.A O no hydrogen 3.061 N/A LEU 262.A N LEU 258.A O no hydrogen 2.828 N/A ALA 263.A N VAL 259.A O no hydrogen 2.873 N/A LYS 264.A N LYS 260.A O no hydrogen 3.083 N/A LYS 265.A N GLU 261.A O no hydrogen 3.126 N/A LYS 265.A NZ GLU 127.A OE2 no hydrogen 2.655 N/A GLN 266.A N LEU 262.A O no hydrogen 3.168 N/A GLN 266.A NE2 VAL 124.A O no hydrogen 2.977 N/A