Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pdo_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N ASP 1.A OD1 no hydrogen 2.948 N/A THR 4.A N ASP 1.A O no hydrogen 3.457 N/A THR 4.A OG1 ASP 1.A O no hydrogen 3.041 N/A ASN 9.A N ASP 7.A OD1 no hydrogen 2.909 N/A ASN 9.A ND2 GLU 58.A OE2 no hydrogen 2.772 N/A GLN 10.A N ASP 7.A O no hydrogen 2.819 N/A GLN 10.A NE2 ASN 9.A OD1 no hydrogen 3.320 N/A ALA 11.A N ASP 7.A O no hydrogen 2.921 N/A VAL 12.A N PRO 8.A O no hydrogen 3.213 N/A LEU 13.A N GLN 10.A O no hydrogen 3.019 N/A LYS 14.A N ALA 11.A O no hydrogen 3.399 N/A THR 16.A N LEU 13.A O no hydrogen 2.900 N/A THR 16.A OG1 LEU 13.A O no hydrogen 2.627 N/A ILE 19.A N VAL 85.A O no hydrogen 2.773 N/A HIS 20.A ND1 SER 22.A OG no hydrogen 2.945 N/A SER 22.A N HIS 20.A ND1 no hydrogen 3.215 N/A SER 22.A OG HIS 20.A ND1 no hydrogen 2.945 N/A CYS 23.A N HIS 20.A O no hydrogen 2.878 N/A VAL 24.A N PRO 21.A O no hydrogen 3.257 N/A THR 25.A N MET 40.A O no hydrogen 3.058 N/A GLN 27.A N LYS 38.A O no hydrogen 2.870 N/A LYS 28.A N LYS 38.A O no hydrogen 3.412 N/A ILE 30.A N VAL 36.A O no hydrogen 2.798 N/A GLY 31.A N VAL 36.A O no hydrogen 3.218 N/A VAL 36.A N GLY 31.A O no hydrogen 2.858 N/A TYR 37.A N ILE 49.A O no hydrogen 2.721 N/A LYS 38.A N LYS 28.A O no hydrogen 2.843 N/A LYS 38.A NZ GLN 27.A OE1 no hydrogen 2.884 N/A LYS 38.A NZ GLY 39.A O no hydrogen 3.277 N/A GLY 39.A N VAL 47.A O no hydrogen 2.897 N/A MET 40.A N THR 25.A O no hydrogen 3.043 N/A LEU 41.A N VAL 45.A O no hydrogen 2.758 N/A LYS 42.A N CYS 23.A O no hydrogen 2.861 N/A VAL 45.A N LEU 41.A O no hydrogen 2.925 N/A VAL 47.A N GLY 39.A O no hydrogen 2.868 N/A ALA 48.A N THR 96.A O no hydrogen 2.908 N/A ILE 49.A N TYR 37.A O no hydrogen 2.891 N/A LYS 50.A N ILE 94.A O no hydrogen 2.918 N/A THR 51.A N GLU 35.A O no hydrogen 2.912 N/A THR 51.A OG1 GLU 35.A O no hydrogen 3.337 N/A LYS 53.A N PHE 33.A O no hydrogen 2.658 N/A THR 57.A N GLN 60.A OE1 no hydrogen 2.786 N/A THR 57.A OG1 GLN 60.A OE1 no hydrogen 3.419 N/A LYS 59.A NZ ASP 63.A OD2 no hydrogen 2.979 N/A GLN 60.A N THR 57.A OG1 no hydrogen 3.300 N/A ARG 61.A N THR 57.A O no hydrogen 3.005 N/A VAL 62.A N GLU 58.A O no hydrogen 2.895 N/A ASP 63.A N LYS 59.A O no hydrogen 2.971 N/A PHE 64.A N GLN 60.A O no hydrogen 2.830 N/A LEU 65.A N ARG 61.A O no hydrogen 3.023 N/A GLY 66.A N VAL 62.A O no hydrogen 2.799 N/A GLU 67.A N ASP 63.A O no hydrogen 3.221 N/A GLU 67.A N PHE 64.A O no hydrogen 3.117 N/A GLY 69.A N LEU 65.A O no hydrogen 2.984 N/A ILE 70.A N GLY 66.A O no hydrogen 2.825 N/A MET 71.A N GLU 67.A O no hydrogen 3.048 N/A GLY 72.A N ALA 68.A O no hydrogen 2.877 N/A GLN 73.A N ILE 70.A O no hydrogen 3.053 N/A GLN 73.A NE2 GLY 69.A O no hydrogen 3.467 N/A PHE 74.A N MET 71.A O no hydrogen 3.081 N/A SER 75.A N TYR 133.A OH no hydrogen 2.895 N/A ASN 78.A N HIS 76.A ND1 no hydrogen 2.905 N/A ASN 78.A ND2 CYS 157.A O no hydrogen 2.986 N/A ILE 79.A N HIS 76.A O no hydrogen 3.171 N/A ILE 80.A N VAL 159.A O no hydrogen 2.974 N/A ARG 81.A N GLU 97.A OE2 no hydrogen 2.773 N/A ARG 81.A NE GLU 83.A OE2 no hydrogen 2.916 N/A ARG 81.A NH2 GLU 83.A OE2 no hydrogen 3.561 N/A GLU 83.A N ILE 95.A O no hydrogen 2.773 N/A GLY 84.A N ILE 95.A O no hydrogen 3.257 N/A VAL 85.A N THR 17.A O no hydrogen 2.917 N/A ILE 86.A N MET 93.A O no hydrogen 2.845 N/A SER 87.A N GLU 18.A OE2 no hydrogen 2.735 N/A SER 87.A OG GLU 18.A OE1 no hydrogen 2.676 N/A SER 87.A OG GLU 18.A OE2 no hydrogen 3.372 N/A LYS 88.A N GLU 18.A OE2 no hydrogen 3.076 N/A MET 93.A N ILE 86.A O no hydrogen 3.052 N/A ILE 94.A N LYS 50.A O no hydrogen 2.961 N/A ILE 95.A N GLY 84.A O no hydrogen 2.873 N/A THR 96.A N ALA 48.A O no hydrogen 2.904 N/A GLU 97.A N ARG 81.A O no hydrogen 3.011 N/A GLU 100.A N GLU 100.A OE1 no hydrogen 2.717 N/A ASN 101.A N VAL 151.A O no hydrogen 2.891 N/A ASN 101.A ND2 ASN 152.A O no hydrogen 3.012 N/A GLY 102.A N MET 99.A O no hydrogen 3.231 N/A LEU 104.A N ILE 149.A O no hydrogen 2.889 N/A PHE 107.A N ALA 103.A O no hydrogen 2.936 N/A LEU 108.A N LEU 104.A O no hydrogen 2.992 N/A ARG 109.A N ASP 105.A O no hydrogen 3.184 N/A ARG 109.A NE GLY 200.A O no hydrogen 2.797 N/A ARG 109.A NH1 ASP 105.A OD2 no hydrogen 3.267 N/A ARG 109.A NH2 ASP 105.A OD2 no hydrogen 3.036 N/A ARG 109.A NH2 GLY 200.A O no hydrogen 3.322 N/A GLU 110.A N LYS 106.A O no hydrogen 3.044 N/A LYS 111.A N PHE 107.A O no hydrogen 2.946 N/A GLU 114.A N LYS 111.A O no hydrogen 2.974 N/A PHE 115.A N TYR 199.A OH no hydrogen 3.029 N/A SER 116.A N GLN 119.A OE1 no hydrogen 3.046 N/A SER 116.A OG GLN 119.A OE1 no hydrogen 3.535 N/A GLN 119.A N SER 116.A OG no hydrogen 3.064 N/A LEU 120.A N SER 116.A O no hydrogen 3.069 N/A VAL 121.A N VAL 117.A O no hydrogen 2.892 N/A GLY 122.A N LEU 118.A O no hydrogen 2.893 N/A MET 123.A N GLN 119.A O no hydrogen 3.074 N/A LEU 124.A N LEU 120.A O no hydrogen 3.088 N/A ARG 125.A N VAL 121.A O no hydrogen 2.835 N/A ARG 125.A NH2 ASP 258.A OD1 no hydrogen 2.895 N/A GLY 126.A N GLY 122.A O no hydrogen 3.117 N/A ILE 127.A N MET 123.A O no hydrogen 3.085 N/A ALA 128.A N LEU 124.A O no hydrogen 2.895 N/A ALA 129.A N ARG 125.A O no hydrogen 2.821 N/A GLY 130.A N GLY 126.A O no hydrogen 2.896 N/A MET 131.A N ILE 127.A O no hydrogen 2.913 N/A LYS 132.A N ALA 128.A O no hydrogen 2.852 N/A TYR 133.A N ALA 129.A O no hydrogen 3.117 N/A LEU 134.A N GLY 130.A O no hydrogen 3.039 N/A ALA 135.A N MET 131.A O no hydrogen 2.814 N/A ASN 136.A N LYS 132.A O no hydrogen 2.922 N/A MET 137.A N TYR 133.A O no hydrogen 3.044 N/A MET 137.A N LEU 134.A O no hydrogen 2.882 N/A ASN 138.A N ALA 135.A O no hydrogen 2.857 N/A TYR 139.A N LEU 134.A O no hydrogen 2.853 N/A HIS 141.A N ASP 185.A OD2 no hydrogen 2.759 N/A HIS 141.A NE2 ASP 161.A O no hydrogen 2.590 N/A ARG 142.A N ASP 185.A OD1 no hydrogen 2.990 N/A ASP 143.A N HIS 141.A ND1 no hydrogen 2.989 N/A ALA 146.A N GLU 195.A OE1 no hydrogen 2.977 N/A ARG 147.A NH2 ASP 143.A OD1 no hydrogen 2.865 N/A ASN 148.A N ALA 145.A O no hydrogen 2.877 N/A ASN 148.A ND2 ASP 143.A O no hydrogen 2.667 N/A ASN 148.A ND2 ASP 143.A OD2 no hydrogen 2.872 N/A ILE 149.A N ALA 146.A O no hydrogen 3.200 N/A LEU 150.A N LYS 158.A O no hydrogen 2.822 N/A VAL 151.A N GLY 102.A O no hydrogen 3.015 N/A ASN 152.A N VAL 156.A O no hydrogen 3.080 N/A SER 153.A OG GLU 100.A OE2 no hydrogen 3.499 N/A LEU 155.A N ASN 152.A O no hydrogen 2.977 N/A VAL 156.A N ASN 152.A OD1 no hydrogen 2.995 N/A CYS 157.A SG LEU 155.A O no hydrogen 3.887 N/A LYS 158.A N LEU 150.A O no hydrogen 2.768 N/A LYS 158.A NZ HIS 77.A O no hydrogen 3.126 N/A VAL 159.A N ASN 78.A O no hydrogen 3.049 N/A SER 160.A N ASN 148.A O no hydrogen 2.949 N/A SER 160.A OG LYS 158.A O no hydrogen 2.716 N/A PHE 162.A N GLU 67.A OE2 no hydrogen 3.046 N/A ARG 168.A NH1 PRO 203.A O no hydrogen 2.954 N/A ARG 168.A NH1 LEU 207.A O no hydrogen 2.962 N/A ARG 168.A NH2 LEU 207.A O no hydrogen 2.450 N/A TRP 169.A N PRO 166.A O no hydrogen 2.916 N/A TRP 169.A NE1 GLU 195.A OE1 no hydrogen 2.752 N/A THR 170.A N ILE 167.A O no hydrogen 3.179 N/A THR 170.A OG1 PRO 166.A O no hydrogen 2.669 N/A GLU 173.A N GLU 173.A OE1 no hydrogen 2.795 N/A ALA 174.A N ALA 171.A O no hydrogen 2.984 N/A ILE 175.A N ALA 171.A O no hydrogen 3.001 N/A SER 176.A N PRO 172.A O no hydrogen 2.928 N/A SER 176.A OG PRO 172.A O no hydrogen 3.354 N/A TYR 177.A N GLU 173.A O no hydrogen 2.886 N/A ARG 178.A N ALA 174.A O no hydrogen 2.951 N/A LYS 179.A N GLU 173.A O no hydrogen 3.378 N/A THR 181.A N SER 184.A OG no hydrogen 2.933 N/A ALA 183.A N THR 181.A OG1 no hydrogen 3.050 N/A SER 184.A N THR 181.A OG1 no hydrogen 3.346 N/A SER 184.A OG THR 181.A O no hydrogen 2.767 N/A ASP 185.A N THR 181.A O no hydrogen 3.136 N/A VAL 186.A N SER 182.A O no hydrogen 2.933 N/A TRP 187.A N ALA 183.A O no hydrogen 3.245 N/A SER 188.A N SER 184.A O no hydrogen 3.152 N/A SER 188.A OG TRP 169.A O no hydrogen 2.598 N/A SER 188.A OG SER 184.A O no hydrogen 3.291 N/A PHE 189.A N ASP 185.A O no hydrogen 2.756 N/A GLY 190.A N VAL 186.A O no hydrogen 3.016 N/A ILE 191.A N TRP 187.A O no hydrogen 3.185 N/A VAL 192.A N SER 188.A O no hydrogen 2.928 N/A MET 193.A N PHE 189.A O no hydrogen 2.873 N/A TRP 194.A N GLY 190.A O no hydrogen 3.146 N/A TRP 194.A NE1 PRO 223.A O no hydrogen 2.913 N/A GLU 195.A N ILE 191.A O no hydrogen 2.838 N/A VAL 196.A N VAL 192.A O no hydrogen 2.846 N/A MET 197.A N MET 193.A O no hydrogen 2.930 N/A THR 198.A N TRP 194.A O no hydrogen 3.005 N/A THR 198.A OG1 TRP 194.A O no hydrogen 2.859 N/A THR 198.A OG1 GLU 195.A O no hydrogen 3.257 N/A TYR 199.A N VAL 196.A O no hydrogen 3.015 N/A GLY 200.A N GLU 195.A O no hydrogen 2.717 N/A GLU 201.A N THR 198.A OG1 no hydrogen 3.247 N/A ARG 202.A N GLU 201.A OE2 no hydrogen 3.330 N/A ARG 202.A NE TRP 205.A O no hydrogen 2.819 N/A ARG 202.A NH2 TRP 205.A O no hydrogen 2.862 N/A TRP 205.A N ARG 202.A O no hydrogen 2.885 N/A LEU 207.A N TYR 204.A O no hydrogen 2.990 N/A SER 208.A N GLU 211.A OE1 no hydrogen 2.948 N/A SER 208.A OG GLU 211.A OE1 no hydrogen 2.931 N/A GLU 211.A N SER 208.A OG no hydrogen 3.278 N/A VAL 212.A N SER 208.A O no hydrogen 2.962 N/A MET 213.A N ASN 209.A O no hydrogen 2.948 N/A LYS 214.A N HIS 210.A O no hydrogen 2.997 N/A LYS 214.A NZ ASP 218.A OD2 no hydrogen 2.895 N/A ALA 215.A N GLU 211.A O no hydrogen 2.780 N/A ILE 216.A N VAL 212.A O no hydrogen 3.005 N/A ASN 217.A N MET 213.A O no hydrogen 3.446 N/A ASP 218.A N LYS 214.A O no hydrogen 3.004 N/A GLY 219.A N ILE 216.A O no hydrogen 3.100 N/A PHE 220.A N ALA 215.A O no hydrogen 2.895 N/A ARG 221.A NE TRP 240.A O no hydrogen 2.818 N/A ARG 221.A NH1 ILE 216.A O no hydrogen 3.120 N/A ARG 221.A NH1 PHE 220.A O no hydrogen 2.894 N/A ARG 221.A NH2 TRP 240.A O no hydrogen 2.786 N/A ARG 221.A NH2 GLN 242.A OE1 no hydrogen 2.798 N/A THR 224.A OG1 PRO 225.A O no hydrogen 3.264 N/A CYS 228.A N PRO 225.A O no hydrogen 3.241 N/A CYS 228.A SG PRO 229.A O no hydrogen 3.532 N/A ILE 232.A N PRO 229.A O no hydrogen 3.023 N/A TYR 233.A N PRO 229.A O no hydrogen 3.171 N/A TYR 233.A OH LEU 222.A O no hydrogen 2.501 N/A GLN 234.A N SER 230.A O no hydrogen 2.804 N/A LEU 235.A N ALA 231.A O no hydrogen 3.203 N/A MET 236.A N ILE 232.A O no hydrogen 3.123 N/A MET 237.A N TYR 233.A O no hydrogen 2.903 N/A GLN 238.A N GLN 234.A O no hydrogen 3.013 N/A CYS 239.A N LEU 235.A O no hydrogen 3.014 N/A CYS 239.A SG LEU 235.A O no hydrogen 3.356 N/A TRP 240.A N MET 236.A O no hydrogen 3.112 N/A TRP 240.A N MET 237.A O no hydrogen 3.206 N/A GLN 241.A N GLN 238.A O no hydrogen 3.347 N/A GLN 241.A NE2 MET 237.A O no hydrogen 3.376 N/A GLN 242.A NE2 ASN 217.A OD1 no hydrogen 3.309 N/A ARG 246.A N GLU 243.A O no hydrogen 2.981 N/A ARG 246.A NE GLN 241.A OE1 no hydrogen 3.256 N/A ARG 247.A N ARG 244.A O no hydrogen 3.150 N/A ARG 247.A NE GLN 241.A O no hydrogen 2.733 N/A ARG 247.A NH1 GLU 173.A OE2 no hydrogen 2.851 N/A ARG 247.A NH1 ALA 183.A O no hydrogen 3.025 N/A ARG 247.A NH2 GLU 173.A OE1 no hydrogen 2.868 N/A ARG 247.A NH2 GLN 241.A O no hydrogen 3.097 N/A LYS 249.A N ASP 252.A OD2 no hydrogen 2.711 N/A ILE 253.A N LYS 249.A O no hydrogen 2.944 N/A VAL 254.A N PHE 250.A O no hydrogen 2.910 N/A SER 255.A N ALA 251.A O no hydrogen 3.187 N/A SER 255.A OG ALA 251.A O no hydrogen 3.209 N/A ILE 256.A N ASP 252.A O no hydrogen 2.897 N/A LEU 257.A N ILE 253.A O no hydrogen 2.971 N/A ASP 258.A N VAL 254.A O no hydrogen 2.976 N/A LYS 259.A N SER 255.A O no hydrogen 3.109 N/A LEU 260.A N ILE 256.A O no hydrogen 3.226 N/A ILE 261.A N LEU 257.A O no hydrogen 3.074 N/A