Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pdh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A NZ ASP 8.A OD2 no hydrogen 2.614 N/A GLU 5.A N GLU 5.A OE1.B no hydrogen 2.959 N/A LEU 7.A N MET 3.A O no hydrogen 2.913 N/A ASP 8.A N LYS 4.A O no hydrogen 2.960 N/A LEU 9.A N GLU 5.A O no hydrogen 3.064 N/A LEU 10.A N PHE 6.A O no hydrogen 2.818 N/A ASN 11.A N LEU 7.A O no hydrogen 2.852 N/A GLU 12.A N ASP 8.A O no hydrogen 3.078 N/A SER 13.A OG THR 16.A OG1 no hydrogen 2.752 N/A SER 13.A OG SER 173.A OG no hydrogen 2.578 N/A ARG 14.A NH1.A ARG 171.A O no hydrogen 2.779 N/A ARG 14.A NH2.A ARG 171.A O no hydrogen 2.820 N/A LEU 15.A N SER 173.A OG no hydrogen 3.026 N/A THR 16.A OG1 SER 13.A OG no hydrogen 2.752 N/A VAL 17.A N LEU 174.A O no hydrogen 2.874 N/A THR 18.A N ALA 85.A O no hydrogen 3.225 N/A THR 18.A OG1 ILE 176.A O no hydrogen 2.841 N/A LEU 19.A N ILE 176.A O no hydrogen 2.859 N/A THR 20.A N ILE 87.A O no hydrogen 2.886 N/A THR 20.A OG1 THR 88.A OG1 no hydrogen 2.732 N/A THR 20.A OG1 HIS 95.A NE2 no hydrogen 2.808 N/A GLY 21.A N LEU 178.A O no hydrogen 2.980 N/A GLY 23.A N GLY 179.A O no hydrogen 2.802 N/A ILE 24.A N GLY 21.A O no hydrogen 3.152 N/A SER 25.A N ALA 22.A O no hydrogen 2.920 N/A SER 25.A OG HIS 71.A NE2 no hydrogen 2.995 N/A SER 25.A OG ASN 90.A OD1 no hydrogen 3.472 N/A SER 25.A OG ASP 92.A OD2 no hydrogen 2.664 N/A THR 26.A N ALA 22.A O no hydrogen 2.915 N/A THR 26.A OG1 GLY 23.A O no hydrogen 3.523 N/A SER 28.A N SER 25.A O no hydrogen 2.958 N/A SER 28.A OG LYS 66.A O no hydrogen 2.828 N/A GLY 29.A N THR 26.A O no hydrogen 3.002 N/A ILE 30.A N SER 25.A O no hydrogen 3.390 N/A ASN 37.A N SER 35.A O no hydrogen 2.884 N/A ASN 37.A ND2 ASP 40.A OD2 no hydrogen 2.924 N/A ASP 40.A N ASN 37.A O no hydrogen 2.860 N/A ILE 41.A N PHE 153.A O no hydrogen 2.995 N/A PHE 43.A N ASP 42.A OD2 no hydrogen 2.952 N/A PHE 44.A N ASP 40.A O no hydrogen 3.076 N/A TYR 45.A N ILE 41.A O no hydrogen 3.056 N/A SER 46.A N ASP 42.A O no hydrogen 3.011 N/A SER 46.A OG ASP 42.A O no hydrogen 3.076 N/A HIS 47.A N PHE 43.A O no hydrogen 2.829 N/A GLU 49.A N GLU 49.A OE2 no hydrogen 2.660 N/A GLU 50.A N HIS 47.A O no hydrogen 2.947 N/A PHE 51.A N HIS 47.A O no hydrogen 3.077 N/A TYR 52.A N PRO 48.A O no hydrogen 2.965 N/A TYR 52.A OH ILE 146.A O no hydrogen 2.633 N/A ARG 53.A N GLU 49.A O no hydrogen 2.953 N/A PHE 54.A N GLU 50.A O no hydrogen 2.911 N/A ALA 55.A N PHE 51.A O no hydrogen 2.815 N/A LYS 56.A N TYR 52.A O no hydrogen 3.263 N/A LYS 56.A N ARG 53.A O no hydrogen 3.359 N/A GLU 57.A N PHE 54.A O no hydrogen 2.955 N/A GLY 58.A N PHE 54.A O no hydrogen 2.717 N/A ILE 59.A N ALA 55.A O no hydrogen 2.885 N/A PHE 60.A N ALA 55.A O no hydrogen 2.777 N/A MET 62.A N ILE 59.A O no hydrogen 2.933 N/A LEU 63.A N PHE 60.A O no hydrogen 3.101 N/A GLN 64.A N PRO 61.A O no hydrogen 3.221 N/A GLN 64.A NE2 PRO 61.A O no hydrogen 3.398 N/A ALA 65.A N MET 62.A O no hydrogen 3.065 N/A ASN 68.A N HIS 71.A ND1 no hydrogen 3.039 N/A ASN 68.A ND2 ILE 24.A O no hydrogen 2.791 N/A ASN 68.A ND2 SER 28.A OG no hydrogen 2.939 N/A ALA 70.A N ASN 68.A OD1 no hydrogen 2.946 N/A HIS 71.A N ASN 68.A OD1 no hydrogen 3.229 N/A HIS 71.A NE2 SER 25.A OG no hydrogen 2.995 N/A VAL 72.A N ASN 68.A O no hydrogen 2.980 N/A LEU 73.A N LEU 69.A O no hydrogen 2.836 N/A LEU 74.A N ALA 70.A O no hydrogen 3.113 N/A ALA 75.A N HIS 71.A O no hydrogen 3.286 N/A LYS 76.A N VAL 72.A O no hydrogen 2.907 N/A LYS 76.A NZ SER 237.A O no hydrogen 2.688 N/A LYS 76.A NZ SER 237.A OXT no hydrogen 3.353 N/A LEU 77.A N LEU 73.A O no hydrogen 2.833 N/A GLU 78.A N LEU 74.A O no hydrogen 3.041 N/A GLU 79.A N ALA 75.A O no hydrogen 2.974 N/A LYS 80.A N LYS 76.A O no hydrogen 3.104 N/A LYS 80.A NZ.B GLU 79.A OE2.B no hydrogen 2.429 N/A GLY 81.A N GLU 78.A O no hydrogen 2.913 N/A LEU 82.A N LEU 77.A O no hydrogen 2.872 N/A GLU 84.A N THR 16.A O no hydrogen 2.804 N/A VAL 86.A N LYS 102.A O no hydrogen 2.976 N/A ILE 87.A N THR 18.A O no hydrogen 2.777 N/A THR 88.A N ILE 104.A O no hydrogen 2.841 N/A THR 88.A OG1 THR 20.A OG1 no hydrogen 2.732 N/A GLN 89.A N THR 20.A O no hydrogen 2.879 N/A ASN 90.A N THR 88.A OG1 no hydrogen 3.048 N/A ARG 93.A NE GLU 105.A OE1 no hydrogen 3.466 N/A ARG 93.A NE GLU 105.A OE2 no hydrogen 2.833 N/A ARG 93.A NH1 GLU 105.A OE1 no hydrogen 2.934 N/A ARG 93.A NH2 GLU 111.A OE1 no hydrogen 2.901 N/A LEU 94.A N ASP 92.A OD1 no hydrogen 2.917 N/A HIS 95.A NE2 THR 20.A OG1 no hydrogen 2.808 N/A GLN 96.A N GLN 96.A OE1 no hydrogen 2.782 N/A GLN 96.A NE2 GLU 105.A OE2 no hydrogen 2.991 N/A ARG 97.A N ARG 93.A O no hydrogen 3.104 N/A ARG 97.A NH1 GLU 111.A OE2 no hydrogen 3.113 N/A ARG 97.A NH2 MET 62.A O no hydrogen 3.510 N/A ARG 97.A NH2 ALA 65.A O no hydrogen 2.967 N/A ALA 98.A N LEU 94.A O no hydrogen 2.995 N/A ALA 98.A N HIS 95.A O no hydrogen 3.167 N/A GLY 99.A N GLN 96.A O no hydrogen 2.983 N/A SER 100.A N HIS 95.A O no hydrogen 3.076 N/A SER 100.A OG HIS 95.A O no hydrogen 3.479 N/A LYS 101.A N GLU 78.A OE1 no hydrogen 2.850 N/A LYS 101.A N GLU 78.A OE2 no hydrogen 3.330 N/A LYS 102.A N GLU 78.A OE2 no hydrogen 2.935 N/A LYS 102.A NZ GLU 164.A OE1 no hydrogen 3.076 N/A LYS 102.A NZ GLU 164.A OE2 no hydrogen 3.294 N/A ILE 104.A N VAL 86.A O no hydrogen 2.723 N/A LEU 106.A N THR 88.A O no hydrogen 2.957 N/A HIS 107.A ND1 GLN 89.A O no hydrogen 2.860 N/A ASN 109.A N ASN 149.A O no hydrogen 2.964 N/A ASN 109.A ND2 GLU 112.A OE1 no hydrogen 2.999 N/A VAL 110.A N ILE 91.A O no hydrogen 2.845 N/A GLU 111.A N ASN 109.A OD1 no hydrogen 2.883 N/A GLU 112.A N ASN 109.A OD1 no hydrogen 3.038 N/A TYR 113.A N TYR 122.A O no hydrogen 2.855 N/A TYR 114.A N ARG 147.A O no hydrogen 2.947 N/A CYS 115.A N LYS 120.A O no hydrogen 2.856 N/A VAL 116.A N LEU 145.A O no hydrogen 2.877 N/A ARG 117.A NH1 ARG 117.A O no hydrogen 3.228 N/A GLU 119.A N CYS 115.A O no hydrogen 2.896 N/A TYR 122.A N TYR 113.A O no hydrogen 2.914 N/A TYR 122.A OH ASP 140.A OD2 no hydrogen 2.967 N/A THR 123.A N ASP 126.A OD2 no hydrogen 2.907 N/A VAL 124.A N GLU 111.A O no hydrogen 2.940 N/A ASP 126.A N THR 123.A OG1 no hydrogen 2.958 N/A VAL 127.A N THR 123.A O no hydrogen 3.074 N/A ILE 128.A N VAL 124.A O no hydrogen 2.843 N/A LYS 129.A N GLU 125.A O no hydrogen 3.046 N/A LYS 129.A NZ.B GLU 132.A OE1 no hydrogen 2.845 N/A LYS 130.A N ASP 126.A O no hydrogen 2.977 N/A LYS 130.A NZ LEU 138.A O no hydrogen 2.766 N/A LYS 130.A NZ ASP 140.A OD1 no hydrogen 3.349 N/A LYS 130.A NZ ASP 140.A OD2 no hydrogen 3.054 N/A LEU 131.A N VAL 127.A O no hydrogen 2.938 N/A GLU 132.A N LYS 129.A O no hydrogen 3.171 N/A SER 133.A N LYS 130.A O no hydrogen 3.100 N/A SER 133.A OG LYS 130.A O no hydrogen 3.442 N/A SER 134.A OG VAL 136.A O no hydrogen 2.687 N/A VAL 136.A N SER 134.A OG no hydrogen 3.187 N/A CYS 139.A N SER 144.A O no hydrogen 2.761 N/A CYS 139.A SG TYR 122.A OH no hydrogen 3.841 N/A ASP 140.A N TYR 122.A OH no hydrogen 2.797 N/A CYS 142.A SG SER 144.A OG no hydrogen 3.227 N/A ASN 143.A N CYS 139.A O no hydrogen 2.874 N/A ILE 146.A N PRO 137.A O no hydrogen 2.890 N/A ARG 147.A N TYR 114.A O no hydrogen 2.878 N/A ARG 147.A NE PRO 148.A O no hydrogen 2.974 N/A ARG 147.A NH1 TYR 45.A OH no hydrogen 3.182 N/A ARG 147.A NH1 GLU 155.A OE2 no hydrogen 2.791 N/A ARG 147.A NH2 PRO 148.A O no hydrogen 3.251 N/A ARG 147.A NH2 GLU 155.A OE1 no hydrogen 2.987 N/A ARG 147.A NH2 GLU 155.A OE2 no hydrogen 3.519 N/A ASN 149.A N GLU 112.A O no hydrogen 2.817 N/A ASN 149.A ND2 GLU 112.A OE1 no hydrogen 2.909 N/A VAL 151.A N HIS 107.A O no hydrogen 2.888 N/A PHE 152.A N GLU 155.A OE1 no hydrogen 2.917 N/A PHE 153.A N PHE 39.A O no hydrogen 2.781 N/A GLU 155.A N PHE 152.A O no hydrogen 3.088 N/A LEU 162.A N PRO 158.A O no hydrogen 3.042 N/A ARG 163.A N GLN 159.A O no hydrogen 2.951 N/A ARG 163.A NH1.B ASP 160.A OD1 no hydrogen 2.595 N/A ARG 163.A NH2.B ASP 160.A OD1 no hydrogen 3.305 N/A GLU 164.A N ASP 160.A O no hydrogen 2.961 N/A ALA 165.A N ALA 161.A O no hydrogen 2.969 N/A ILE 166.A N LEU 162.A O no hydrogen 2.898 N/A GLY 167.A N ARG 163.A O no hydrogen 2.915 N/A LEU 168.A N GLU 164.A O no hydrogen 2.898 N/A SER 169.A N ALA 165.A O no hydrogen 2.860 N/A SER 169.A OG ALA 165.A O no hydrogen 2.725 N/A SER 170.A N ILE 166.A O no hydrogen 2.876 N/A SER 170.A OG ILE 166.A O no hydrogen 3.409 N/A SER 170.A OG GLY 167.A O no hydrogen 2.739 N/A ARG 171.A N GLY 167.A O no hydrogen 3.050 N/A ALA 172.A N LEU 168.A O no hydrogen 3.034 N/A SER 173.A N LEU 15.A O no hydrogen 2.845 N/A SER 173.A OG SER 13.A OG no hydrogen 2.578 N/A SER 173.A OG LEU 15.A O no hydrogen 3.114 N/A LEU 174.A N LEU 15.A O no hydrogen 3.278 N/A MET 175.A N LYS 200.A O no hydrogen 2.891 N/A ILE 176.A N VAL 17.A O no hydrogen 2.875 N/A VAL 177.A N VAL 202.A O no hydrogen 2.734 N/A LEU 178.A N LEU 19.A O no hydrogen 2.827 N/A GLY 179.A N VAL 204.A O no hydrogen 2.790 N/A SER 180.A OG GLN 89.A OE1 no hydrogen 2.761 N/A LEU 182.A N SER 180.A OG no hydrogen 3.118 N/A ALA 188.A N VAL 184.A O no hydrogen 2.868 N/A GLU 189.A N PRO 186.A O no hydrogen 3.042 N/A LEU 190.A N ALA 187.A O no hydrogen 3.027 N/A ILE 193.A N GLU 189.A O no hydrogen 3.058 N/A THR 194.A N LEU 190.A O no hydrogen 3.074 N/A THR 194.A OG1 SER 169.A O no hydrogen 2.824 N/A VAL 195.A N PRO 191.A O no hydrogen 3.025 N/A ARG 196.A N LEU 192.A O no hydrogen 2.881 N/A SER 197.A N ILE 193.A O no hydrogen 3.005 N/A SER 197.A N THR 194.A O no hydrogen 3.199 N/A SER 197.A OG ILE 193.A O no hydrogen 2.735 N/A GLY 198.A N THR 194.A O no hydrogen 3.191 N/A GLY 198.A N VAL 195.A O no hydrogen 3.257 N/A GLY 199.A N THR 194.A O no hydrogen 2.916 N/A LYS 200.A N SER 173.A O no hydrogen 2.932 N/A VAL 202.A N MET 175.A O no hydrogen 2.872 N/A ILE 203.A N LEU 217.A O no hydrogen 2.972 N/A VAL 204.A N VAL 177.A O no hydrogen 2.739 N/A ASN 205.A N TYR 219.A O no hydrogen 3.026 N/A GLY 207.A N ASN 220.A OD1 no hydrogen 3.177 N/A THR 209.A N ASP 212.A OD1 no hydrogen 3.300 N/A THR 209.A N ASP 212.A OD2 no hydrogen 2.967 N/A THR 209.A OG1 ASP 212.A OD1 no hydrogen 2.803 N/A PHE 211.A N THR 209.A OG1 no hydrogen 3.123 N/A ASP 212.A N THR 209.A O no hydrogen 3.175 N/A ILE 214.A N PHE 211.A O no hydrogen 3.008 N/A ALA 215.A N ASP 212.A O no hydrogen 3.304 N/A THR 216.A N LEU 201.A O no hydrogen 2.767 N/A LEU 217.A N LEU 201.A O no hydrogen 3.407 N/A LYS 218.A NZ GLY 207.A O no hydrogen 2.840 N/A LYS 218.A NZ ASP 212.A OD1 no hydrogen 3.329 N/A LYS 218.A NZ ASP 212.A OD2 no hydrogen 3.059 N/A TYR 219.A N ILE 203.A O no hydrogen 2.876 N/A TYR 219.A OH LYS 2.A O no hydrogen 2.820 N/A GLU 225.A N ASP 222.A OD2 no hydrogen 2.881 N/A PHE 226.A N ASP 222.A O no hydrogen 2.980 N/A ALA 227.A N VAL 223.A O no hydrogen 2.984 N/A ARG 228.A N VAL 224.A O no hydrogen 2.901 N/A ARG 228.A NE GLU 225.A OE1 no hydrogen 2.828 N/A ARG 228.A NH1 GLU 232.A OE1.A no hydrogen 3.307 N/A ARG 228.A NH2 GLU 225.A OE2 no hydrogen 2.738 N/A ARG 229.A N GLU 225.A O no hydrogen 3.009 N/A ARG 229.A NH1 MET 1.A O no hydrogen 3.211 N/A ARG 229.A NH1 GLU 233.A OE2 no hydrogen 3.042 N/A ARG 229.A NH2 GLU 232.A OE1.A no hydrogen 2.881 N/A ARG 229.A NH2 GLU 233.A OE2 no hydrogen 2.884 N/A VAL 230.A N PHE 226.A O no hydrogen 2.877 N/A MET 231.A N ALA 227.A O no hydrogen 2.974 N/A GLU 232.A N ARG 228.A O no hydrogen 3.035 N/A GLU 233.A N ARG 229.A O no hydrogen 2.895 N/A GLY 234.A N VAL 230.A O no hydrogen 2.737 N/A ILE 236.A N MET 231.A O no hydrogen 2.866 N/A