Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xum_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 1.A N ASP 4.A OD2 no hydrogen 3.080 N/A LEU 5.A N GLU 1.A O no hydrogen 2.735 N/A ARG 6.A N SER 2.A O no hydrogen 3.400 N/A ARG 6.A NH1 GLN 203.A OE1 no hydrogen 3.109 N/A ALA 7.A N ALA 3.A O no hydrogen 3.095 N/A LEU 8.A N ASP 4.A O no hydrogen 2.891 N/A ALA 9.A N LEU 5.A O no hydrogen 2.773 N/A LYS 10.A N ARG 6.A O no hydrogen 2.872 N/A HIS 11.A N ALA 7.A O no hydrogen 2.864 N/A HIS 11.A NE2 SER 85.A O no hydrogen 2.834 N/A LEU 12.A N LEU 8.A O no hydrogen 2.956 N/A TYR 13.A N ALA 9.A O no hydrogen 2.928 N/A ASP 14.A N LYS 10.A O no hydrogen 3.040 N/A SER 15.A N HIS 11.A O no hydrogen 3.053 N/A SER 15.A OG HIS 11.A O no hydrogen 2.989 N/A SER 15.A OG SER 85.A OG no hydrogen 3.296 N/A TYR 16.A N LEU 12.A O no hydrogen 2.823 N/A TYR 16.A OH ASP 164.A OD1 no hydrogen 2.892 N/A ILE 17.A N TYR 13.A O no hydrogen 2.915 N/A LYS 18.A N ASP 14.A O no hydrogen 3.096 N/A LYS 18.A NZ ASP 14.A OD2 no hydrogen 2.953 N/A SER 19.A N TYR 16.A O no hydrogen 3.022 N/A SER 19.A OG SER 15.A O no hydrogen 2.947 N/A PHE 20.A N TYR 16.A O no hydrogen 2.894 N/A LYS 24.A N ASP 164.A OD1 no hydrogen 2.752 N/A LYS 24.A NZ LEU 162.A O no hydrogen 2.504 N/A ALA 25.A N ASP 164.A OD2 no hydrogen 3.127 N/A LYS 26.A N THR 23.A OG1 no hydrogen 3.306 N/A ALA 27.A N THR 23.A O no hydrogen 2.986 N/A ARG 28.A N LYS 24.A O no hydrogen 2.790 N/A ARG 28.A NH1.B SER 115.A O no hydrogen 2.824 N/A ARG 28.A NH1.B MET 117.A O no hydrogen 2.973 N/A ARG 28.A NH2.B MET 117.A O no hydrogen 3.393 N/A ALA 29.A N ALA 25.A O no hydrogen 3.132 N/A ILE 30.A N LYS 26.A O no hydrogen 2.989 N/A LEU 31.A N ALA 27.A O no hydrogen 2.937 N/A THR 32.A N ARG 28.A O no hydrogen 3.034 N/A THR 32.A OG1 ARG 28.A O no hydrogen 2.642 N/A GLY 33.A N ALA 29.A O no hydrogen 3.414 N/A LYS 34.A N ALA 29.A O no hydrogen 3.106 N/A THR 36.A OG1 ASP 37.A OD1 no hydrogen 3.382 N/A LYS 38.A NZ.B THR 35.A O no hydrogen 2.754 N/A PHE 41.A N GLN 128.A O no hydrogen 2.888 N/A ILE 43.A N PHE 130.A O no hydrogen 2.665 N/A ASP 45.A N SER 48.A OG no hydrogen 3.137 N/A SER 48.A N ASP 45.A OD1 no hydrogen 2.740 N/A SER 48.A OG ASP 45.A O no hydrogen 3.528 N/A SER 48.A OG ASP 45.A OD1 no hydrogen 2.190 N/A LEU 49.A N ASP 45.A O no hydrogen 3.094 N/A MET 50.A N MET 46.A O no hydrogen 3.043 N/A MET 51.A N ASN 47.A O no hydrogen 2.887 N/A GLY 52.A N SER 48.A O no hydrogen 2.637 N/A GLU 53.A N LEU 49.A O no hydrogen 3.066 N/A LYS 55.A N MET 51.A O no hydrogen 3.157 N/A ILE 56.A N GLY 52.A O no hydrogen 2.703 N/A ARG 63.A N GLU 59.A O no hydrogen 3.032 N/A ILE 64.A N VAL 60.A O no hydrogen 2.788 N/A PHE 65.A N ALA 61.A O no hydrogen 3.024 N/A GLN 66.A N ILE 62.A O no hydrogen 2.858 N/A GLY 67.A N ARG 63.A O no hydrogen 2.912 N/A CYS 68.A N ILE 64.A O no hydrogen 3.128 N/A CYS 68.A SG ILE 64.A O no hydrogen 3.990 N/A GLN 69.A N PHE 65.A O no hydrogen 3.292 N/A GLN 69.A NE2 SER 247.A O no hydrogen 3.653 N/A PHE 70.A N GLN 66.A O no hydrogen 3.274 N/A ARG 71.A N GLY 67.A O no hydrogen 3.149 N/A ARG 71.A NH1 GLU 78.A OE2 no hydrogen 3.502 N/A ARG 71.A NH2 GLU 78.A OE1 no hydrogen 3.441 N/A SER 72.A N CYS 68.A O no hydrogen 2.627 N/A SER 72.A OG CYS 68.A O no hydrogen 3.400 N/A VAL 73.A N GLN 69.A O no hydrogen 2.959 N/A GLU 74.A N PHE 70.A O no hydrogen 3.033 N/A ALA 75.A N ARG 71.A O no hydrogen 2.820 N/A VAL 76.A N SER 72.A O no hydrogen 2.810 N/A GLN 77.A N VAL 73.A O no hydrogen 2.968 N/A GLU 78.A N GLU 74.A O no hydrogen 3.013 N/A ILE 79.A N ALA 75.A O no hydrogen 2.811 N/A THR 80.A N VAL 76.A O no hydrogen 2.928 N/A THR 80.A OG1 VAL 76.A O no hydrogen 2.905 N/A GLU 81.A N GLN 77.A O no hydrogen 3.169 N/A TYR 82.A N GLU 78.A O no hydrogen 3.025 N/A TYR 82.A OH ALA 168.A O no hydrogen 2.638 N/A ALA 83.A N ILE 79.A O no hydrogen 2.920 N/A LYS 84.A N THR 80.A O no hydrogen 3.411 N/A SER 85.A N TYR 82.A O no hydrogen 2.958 N/A SER 85.A OG TYR 82.A O no hydrogen 2.579 N/A ILE 86.A N ALA 83.A O no hydrogen 2.846 N/A PHE 89.A N ILE 86.A O no hydrogen 2.973 N/A ASN 91.A N GLY 88.A O no hydrogen 3.211 N/A LEU 92.A N PHE 89.A O no hydrogen 3.210 N/A ASN 95.A N ASP 93.A OD1 no hydrogen 2.841 N/A ASN 95.A ND2 ASP 93.A OD1 no hydrogen 2.863 N/A ASP 96.A N ASP 93.A O no hydrogen 3.073 N/A GLN 97.A N ASP 93.A O no hydrogen 3.080 N/A GLN 97.A NE2 LEU 92.A O no hydrogen 2.827 N/A VAL 98.A N LEU 94.A O no hydrogen 3.123 N/A THR 99.A N ASN 95.A O no hydrogen 3.028 N/A THR 99.A OG1 ASN 95.A O no hydrogen 2.919 N/A LEU 100.A N ASP 96.A O no hydrogen 2.714 N/A LEU 101.A N GLN 97.A O no hydrogen 3.034 N/A LYS 102.A N VAL 98.A O no hydrogen 2.769 N/A LYS 102.A NZ GLU 254.A O no hydrogen 2.969 N/A LYS 102.A NZ ILE 255.A O no hydrogen 2.987 N/A LYS 102.A NZ LYS 257.A O no hydrogen 3.400 N/A TYR 103.A N THR 99.A O no hydrogen 3.231 N/A TYR 103.A OH LEU 259.A O no hydrogen 2.900 N/A GLY 104.A N LEU 101.A O no hydrogen 3.154 N/A VAL 105.A N LEU 101.A O no hydrogen 2.978 N/A ILE 108.A N GLY 104.A O no hydrogen 3.180 N/A ILE 109.A N VAL 105.A O no hydrogen 2.866 N/A TYR 110.A N HIS 106.A O no hydrogen 3.039 N/A THR 111.A N GLU 107.A O no hydrogen 3.245 N/A THR 111.A OG1 GLU 107.A O no hydrogen 2.920 N/A MET 112.A N ILE 108.A O no hydrogen 2.778 N/A LEU 113.A N ILE 109.A O no hydrogen 2.753 N/A ALA 114.A N TYR 110.A O no hydrogen 3.290 N/A SER 115.A N MET 112.A O no hydrogen 3.241 N/A LEU 116.A N LEU 113.A O no hydrogen 2.958 N/A MET 117.A N ALA 114.A O no hydrogen 3.138 N/A ASN 118.A N GLY 121.A O no hydrogen 2.886 N/A LYS 119.A NZ ASP 120.A OD1 no hydrogen 3.316 N/A ASP 120.A N ASN 118.A OD1 no hydrogen 2.795 N/A GLY 121.A N ASN 118.A O no hydrogen 3.305 N/A VAL 122.A N MET 131.A O no hydrogen 2.909 N/A LEU 123.A N LEU 116.A O no hydrogen 2.750 N/A ILE 124.A N GLY 129.A O no hydrogen 2.924 N/A GLY 127.A N ILE 124.A O no hydrogen 2.876 N/A GLN 128.A N SER 125.A O no hydrogen 3.125 N/A GLN 128.A NE2 SER 125.A O no hydrogen 3.028 N/A GLY 129.A N ILE 124.A O no hydrogen 3.144 N/A PHE 130.A N PHE 41.A O no hydrogen 2.812 N/A MET 131.A N VAL 122.A O no hydrogen 3.037 N/A THR 132.A N ILE 43.A O no hydrogen 3.120 N/A ARG 133.A N ASP 120.A O no hydrogen 2.900 N/A ARG 133.A NE GLU 148.A OE1 no hydrogen 2.821 N/A ARG 133.A NE GLU 148.A OE2 no hydrogen 3.011 N/A ARG 133.A NH1 LYS 119.A O no hydrogen 3.109 N/A ARG 133.A NH2 GLU 148.A OE1 no hydrogen 2.621 N/A PHE 135.A N THR 132.A OG1 no hydrogen 3.289 N/A LEU 136.A N THR 132.A O no hydrogen 3.388 N/A LYS 137.A N ARG 133.A O no hydrogen 2.921 N/A SER 138.A N GLU 134.A O no hydrogen 3.008 N/A SER 138.A OG PHE 135.A O no hydrogen 2.744 N/A LEU 139.A N LEU 136.A O no hydrogen 3.295 N/A ARG 140.A NE GLU 59.A OE1 no hydrogen 2.907 N/A ARG 140.A NE GLU 59.A OE2 no hydrogen 3.302 N/A ARG 140.A NH2 GLU 243.A OE2 no hydrogen 3.016 N/A GLY 144.A N ARG 140.A O no hydrogen 3.088 N/A ASP 145.A N PRO 142.A O no hydrogen 3.382 N/A PHE 146.A N PHE 143.A O no hydrogen 3.396 N/A LYS 150.A NZ PHE 146.A O no hydrogen 3.347 N/A LYS 150.A NZ HIS 232.A ND1 no hydrogen 2.950 N/A PHE 151.A N MET 147.A O no hydrogen 3.238 N/A GLU 152.A N GLU 148.A O no hydrogen 3.109 N/A PHE 153.A N PRO 149.A O no hydrogen 3.111 N/A ALA 154.A N LYS 150.A O no hydrogen 2.775 N/A VAL 155.A N PHE 151.A O no hydrogen 2.756 N/A LYS 156.A N GLU 152.A O no hydrogen 3.344 N/A PHE 157.A N PHE 153.A O no hydrogen 2.596 N/A ASN 158.A N ALA 154.A O no hydrogen 2.615 N/A ASN 158.A ND2 ALA 114.A O no hydrogen 3.040 N/A ASN 158.A ND2 MET 117.A O no hydrogen 3.187 N/A LEU 160.A N PHE 157.A O no hydrogen 2.850 N/A GLU 161.A N ASN 158.A O no hydrogen 3.026 N/A ASP 163.A N ASP 166.A OD2 no hydrogen 2.862 N/A SER 165.A OG ASP 163.A OD1 no hydrogen 2.636 N/A ASP 166.A N ASP 163.A OD1 no hydrogen 3.147 N/A LEU 167.A N ASP 163.A O no hydrogen 3.095 N/A ALA 168.A N ASP 164.A O no hydrogen 2.881 N/A PHE 170.A N ASP 166.A O no hydrogen 3.283 N/A ILE 171.A N LEU 167.A O no hydrogen 2.821 N/A ALA 172.A N ALA 168.A O no hydrogen 3.321 N/A VAL 173.A N ILE 169.A O no hydrogen 2.897 N/A ILE 174.A N PHE 170.A O no hydrogen 3.074 N/A ILE 175.A N ILE 171.A O no hydrogen 3.155 N/A LEU 176.A N ALA 172.A O no hydrogen 3.303 N/A SER 177.A OG ILE 174.A O no hydrogen 2.824 N/A ASP 179.A N ASP 179.A OD1 no hydrogen 2.629 N/A ARG 180.A NH1 GLU 107.A OE1 no hydrogen 3.036 N/A ARG 180.A NH1 GLU 107.A OE2 no hydrogen 3.029 N/A ARG 180.A NH2 GLU 107.A OE1 no hydrogen 2.782 N/A ARG 180.A NH2 ILE 174.A O no hydrogen 2.951 N/A LEU 184.A N ASP 96.A OD1 no hydrogen 2.839 N/A ASN 185.A N ASP 96.A OD2 no hydrogen 3.069 N/A LYS 187.A NZ ASP 191.A OD1 no hydrogen 3.298 N/A LYS 187.A NZ ASP 191.A OD2 no hydrogen 3.274 N/A GLU 190.A N VAL 186.A O no hydrogen 2.981 N/A ASP 191.A N LYS 187.A O no hydrogen 3.107 N/A ILE 192.A N PRO 188.A O no hydrogen 3.371 N/A GLN 193.A N ILE 189.A O no hydrogen 3.064 N/A GLN 193.A NE2 VAL 173.A O no hydrogen 2.826 N/A ASP 194.A N GLU 190.A O no hydrogen 2.941 N/A ASN 195.A N ASP 191.A O no hydrogen 3.485 N/A LEU 196.A N ILE 192.A O no hydrogen 2.971 N/A LEU 197.A N GLN 193.A O no hydrogen 2.586 N/A GLN 198.A N ASP 194.A O no hydrogen 2.860 N/A ALA 199.A N ASN 195.A O no hydrogen 2.931 N/A LEU 200.A N LEU 196.A O no hydrogen 2.917 N/A GLU 201.A N LEU 197.A O no hydrogen 2.974 N/A LEU 202.A N GLN 198.A O no hydrogen 3.185 N/A GLN 203.A N ALA 199.A O no hydrogen 2.877 N/A GLN 203.A NE2 ASP 166.A OD1 no hydrogen 2.743 N/A LEU 204.A N LEU 200.A O no hydrogen 2.784 N/A LYS 205.A N GLU 201.A O no hydrogen 3.073 N/A LEU 206.A N LEU 202.A O no hydrogen 2.961 N/A ASN 207.A N GLN 203.A O no hydrogen 2.888 N/A ASN 207.A ND2 ASP 163.A OD2 no hydrogen 2.792 N/A ASN 207.A ND2 ASP 166.A OD1 no hydrogen 3.141 N/A ASN 207.A ND2 ASP 166.A OD2 no hydrogen 3.417 N/A HIS 208.A N LEU 204.A O no hydrogen 2.999 N/A HIS 208.A NE2 ASP 166.A OD2 no hydrogen 2.545 N/A SER 211.A N HIS 208.A O no hydrogen 3.313 N/A SER 211.A OG HIS 208.A O no hydrogen 3.437 N/A LYS 217.A N GLN 213.A O no hydrogen 2.832 N/A LEU 218.A N LEU 214.A O no hydrogen 2.504 N/A LEU 219.A N PHE 215.A O no hydrogen 2.802 N/A GLN 220.A N ALA 216.A O no hydrogen 2.968 N/A LYS 221.A N LEU 218.A O no hydrogen 3.086 N/A LYS 221.A NZ LYS 217.A O no hydrogen 3.527 N/A MET 222.A N LEU 219.A O no hydrogen 3.204 N/A THR 223.A N GLN 220.A O no hydrogen 3.243 N/A THR 223.A OG1 GLN 220.A O no hydrogen 3.403 N/A LEU 225.A N LYS 221.A O no hydrogen 3.109 N/A ARG 226.A N MET 222.A O no hydrogen 3.145 N/A ARG 226.A NE GLU 107.A OE2 no hydrogen 3.122 N/A ARG 226.A NH2 ASP 179.A OD2 no hydrogen 3.449 N/A GLN 227.A N THR 223.A O no hydrogen 3.392 N/A ILE 228.A N ASP 224.A O no hydrogen 3.170 N/A VAL 229.A N LEU 225.A O no hydrogen 3.222 N/A THR 230.A N ARG 226.A O no hydrogen 2.966 N/A THR 230.A OG1 ARG 226.A O no hydrogen 3.233 N/A GLU 231.A N GLN 227.A O no hydrogen 2.967 N/A HIS 232.A N ILE 228.A O no hydrogen 2.964 N/A VAL 233.A N VAL 229.A O no hydrogen 3.020 N/A GLN 234.A N THR 230.A O no hydrogen 3.352 N/A LEU 235.A N GLU 231.A O no hydrogen 3.053 N/A LEU 236.A N HIS 232.A O no hydrogen 2.813 N/A GLN 237.A N VAL 233.A O no hydrogen 3.016 N/A VAL 238.A N GLN 234.A O no hydrogen 3.308 N/A ILE 239.A N LEU 235.A O no hydrogen 3.298 N/A LYS 240.A N LEU 236.A O no hydrogen 3.106 N/A LYS 241.A N GLN 237.A O no hydrogen 3.291 N/A THR 242.A N VAL 238.A O no hydrogen 3.047 N/A THR 242.A N ILE 239.A O no hydrogen 3.005 N/A GLU 243.A N ILE 239.A O no hydrogen 2.628 N/A MET 246.A N GLU 243.A O no hydrogen 3.295 N/A SER 247.A OG MET 246.A O no hydrogen 3.531 N/A LEU 251.A N HIS 249.A ND1 no hydrogen 3.069 N/A GLN 253.A N HIS 249.A O no hydrogen 2.757 N/A GLU 254.A N PRO 250.A O no hydrogen 2.948 N/A ILE 255.A N LEU 251.A O no hydrogen 3.080 N/A TYR 256.A N LEU 252.A O no hydrogen 3.048 N/A LYS 257.A N GLN 253.A O no hydrogen 3.037 N/A LEU 259.A N TYR 256.A O no hydrogen 2.604 N/A