Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5due_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N ASP 65.A OD2 no hydrogen 2.693 N/A LEU 4.A N SER 1.A O no hydrogen 3.225 N/A SER 5.A N LEU 2.A O no hydrogen 3.036 N/A THR 7.A N GLN 10.A OE1 no hydrogen 2.989 N/A GLN 10.A N THR 7.A OG1 no hydrogen 3.099 N/A MET 11.A N THR 7.A O no hydrogen 2.963 N/A VAL 12.A N ALA 8.A O no hydrogen 3.040 N/A SER 13.A N ASP 9.A O no hydrogen 2.836 N/A SER 13.A OG ASP 9.A O no hydrogen 3.022 N/A ALA 14.A N GLN 10.A O no hydrogen 2.965 N/A LEU 15.A N MET 11.A O no hydrogen 2.968 N/A LEU 16.A N VAL 12.A O no hydrogen 2.916 N/A ASP 17.A N SER 13.A O no hydrogen 2.884 N/A ALA 18.A N ALA 14.A O no hydrogen 3.190 N/A ALA 18.A N LEU 15.A O no hydrogen 3.288 N/A GLU 19.A N LEU 16.A O no hydrogen 3.082 N/A SER 25.A N ASN 103.A OD1 no hydrogen 3.052 N/A SER 25.A OG GLU 26.A O no hydrogen 3.334 N/A THR 30.A OG1 ASP 28.A OD2 no hydrogen 3.212 N/A ARG 31.A NH1 ASP 28.A O no hydrogen 3.110 N/A ARG 31.A NH1 THR 30.A O no hydrogen 3.445 N/A SER 34.A N SER 37.A OG no hydrogen 2.813 N/A SER 34.A OG SER 37.A OG no hydrogen 3.216 N/A SER 37.A N SER 34.A OG no hydrogen 3.191 N/A SER 37.A OG SER 34.A O no hydrogen 3.138 N/A SER 37.A OG SER 34.A OG no hydrogen 3.216 N/A MET 38.A N SER 34.A O no hydrogen 3.014 N/A MET 39.A N GLU 35.A O no hydrogen 3.051 N/A GLY 40.A N ALA 36.A O no hydrogen 2.784 N/A LEU 41.A N SER 37.A O no hydrogen 2.847 N/A LEU 42.A N MET 38.A O no hydrogen 2.947 N/A THR 43.A N MET 39.A O no hydrogen 2.953 N/A THR 43.A OG1 MET 39.A O no hydrogen 2.911 N/A ASN 44.A N GLY 40.A O no hydrogen 3.070 N/A LEU 45.A N LEU 41.A O no hydrogen 2.989 N/A ALA 46.A N LEU 42.A O no hydrogen 2.697 N/A ASP 47.A N THR 43.A O no hydrogen 2.938 N/A ARG 48.A N ASN 44.A O no hydrogen 3.204 N/A ARG 48.A NE ASN 44.A O no hydrogen 3.368 N/A ARG 48.A NE ASN 44.A OD1 no hydrogen 2.597 N/A ARG 48.A NH1 TYR 24.A O no hydrogen 3.199 N/A ARG 48.A NH2 TYR 24.A O no hydrogen 3.142 N/A ARG 48.A NH2 ASN 44.A OD1 no hydrogen 2.713 N/A GLU 49.A N LEU 45.A O no hydrogen 2.914 N/A LEU 50.A N ALA 46.A O no hydrogen 2.954 N/A VAL 51.A N ASP 47.A O no hydrogen 3.462 N/A HIS 52.A N ARG 48.A O no hydrogen 3.456 N/A MET 53.A N GLU 49.A O no hydrogen 2.891 N/A ILE 54.A N LEU 50.A O no hydrogen 2.930 N/A ASN 55.A N HIS 52.A O no hydrogen 3.124 N/A ASN 55.A ND2 VAL 51.A O no hydrogen 2.823 N/A TRP 56.A N HIS 52.A O no hydrogen 2.776 N/A ALA 57.A N MET 53.A O no hydrogen 2.713 N/A LYS 58.A NZ ASN 55.A OD1 no hydrogen 3.366 N/A ARG 59.A N TRP 56.A O no hydrogen 2.967 N/A VAL 60.A N ALA 57.A O no hydrogen 2.710 N/A PHE 63.A N VAL 60.A O no hydrogen 2.780 N/A LEU 66.A N PHE 63.A O no hydrogen 3.220 N/A GLN 71.A N THR 67.A O no hydrogen 2.965 N/A GLN 71.A NE2 PHE 63.A O no hydrogen 2.926 N/A VAL 72.A N LEU 68.A O no hydrogen 2.854 N/A HIS 73.A N HIS 69.A O no hydrogen 3.071 N/A HIS 73.A NE2 GLY 153.A O no hydrogen 2.933 N/A HIS 73.A NE2 THR 156.A OG1 no hydrogen 2.783 N/A LEU 74.A N ASP 70.A O no hydrogen 3.235 N/A LEU 75.A N GLN 71.A O no hydrogen 3.144 N/A GLU 76.A N VAL 72.A O no hydrogen 2.901 N/A CYS 77.A N HIS 73.A O no hydrogen 2.991 N/A CYS 77.A SG SER 152.A O no hydrogen 3.026 N/A ALA 78.A N LEU 74.A O no hydrogen 2.953 N/A ILE 82.A N ALA 78.A O no hydrogen 2.916 N/A LEU 83.A N TRP 79.A O no hydrogen 2.946 N/A MET 84.A N LEU 80.A O no hydrogen 2.899 N/A ILE 85.A N GLU 81.A O no hydrogen 2.874 N/A GLY 86.A N ILE 82.A O no hydrogen 3.168 N/A LEU 87.A N LEU 83.A O no hydrogen 2.873 N/A VAL 88.A N MET 84.A O no hydrogen 2.890 N/A TRP 89.A N ILE 85.A O no hydrogen 2.956 N/A ARG 90.A N GLY 86.A O no hydrogen 3.154 N/A ARG 90.A NE LEU 99.A O no hydrogen 2.813 N/A ARG 90.A NE PHE 100.A O no hydrogen 3.346 N/A ARG 90.A NH1 GLU 49.A OE2 no hydrogen 3.054 N/A ARG 90.A NH2 GLU 49.A OE1 no hydrogen 3.417 N/A ARG 90.A NH2 GLU 49.A OE2 no hydrogen 3.253 N/A ARG 90.A NH2 PHE 100.A O no hydrogen 2.932 N/A SER 91.A N VAL 88.A O no hydrogen 3.129 N/A SER 91.A OG LEU 87.A O no hydrogen 2.690 N/A MET 92.A N TRP 89.A O no hydrogen 3.325 N/A HIS 94.A N SER 91.A O no hydrogen 2.745 N/A LYS 97.A N HIS 94.A O no hydrogen 2.834 N/A LEU 98.A N LEU 106.A O no hydrogen 2.796 N/A LEU 99.A N SER 91.A OG no hydrogen 2.725 N/A ALA 101.A N LEU 104.A O no hydrogen 3.364 N/A ASN 103.A ND2 SER 25.A O no hydrogen 3.055 N/A LEU 104.A N ALA 101.A O no hydrogen 2.599 N/A LEU 106.A N LEU 98.A O no hydrogen 2.991 N/A ASP 107.A N GLN 110.A OE1 no hydrogen 2.835 N/A ARG 108.A NE ASP 122.A OD1 no hydrogen 2.803 N/A ARG 108.A NH1 ASP 122.A OD2 no hydrogen 2.780 N/A GLN 110.A N ASP 107.A O no hydrogen 2.997 N/A GLN 110.A N ASP 107.A OD1 no hydrogen 3.134 N/A GLY 111.A N ARG 108.A O no hydrogen 2.937 N/A CYS 113.A SG PHE 33.A O no hydrogen 3.723 N/A CYS 113.A SG GLN 110.A O no hydrogen 3.263 N/A GLU 115.A N GLU 35.A OE1 no hydrogen 3.067 N/A MET 117.A N VAL 114.A O no hydrogen 3.360 N/A PHE 121.A N MET 117.A O no hydrogen 2.753 N/A ASP 122.A N VAL 118.A O no hydrogen 2.894 N/A MET 123.A N GLU 119.A O no hydrogen 3.362 N/A LEU 124.A N ILE 120.A O no hydrogen 2.862 N/A LEU 125.A N PHE 121.A O no hydrogen 2.919 N/A ALA 126.A N ASP 122.A O no hydrogen 2.990 N/A THR 127.A N MET 123.A O no hydrogen 2.921 N/A THR 127.A OG1 MET 123.A O no hydrogen 2.831 N/A SER 128.A N LEU 124.A O no hydrogen 2.954 N/A SER 129.A N LEU 125.A O no hydrogen 2.972 N/A SER 129.A OG LEU 125.A O no hydrogen 3.321 N/A ARG 130.A N ALA 126.A O no hydrogen 3.004 N/A PHE 131.A N THR 127.A O no hydrogen 2.940 N/A ARG 132.A N SER 128.A O no hydrogen 2.860 N/A ARG 132.A NH1 MET 92.A O no hydrogen 2.766 N/A MET 133.A N SER 129.A O no hydrogen 2.980 N/A MET 134.A N ARG 130.A O no hydrogen 3.151 N/A ASN 135.A N ARG 132.A O no hydrogen 2.914 N/A LEU 136.A N PHE 131.A O no hydrogen 2.987 N/A GLN 137.A N GLU 140.A OE1 no hydrogen 2.746 N/A GLU 139.A N GLU 139.A OE1 no hydrogen 2.845 N/A PHE 141.A N GLN 137.A O no hydrogen 2.865 N/A VAL 142.A N GLY 138.A O no hydrogen 3.136 N/A CYS 143.A SG GLU 139.A O no hydrogen 3.462 N/A LEU 144.A N GLU 140.A O no hydrogen 2.945 N/A LYS 145.A N PHE 141.A O no hydrogen 3.005 N/A LYS 145.A NZ GLU 19.A OE1 no hydrogen 2.916 N/A SER 146.A N VAL 142.A O no hydrogen 3.257 N/A SER 146.A OG VAL 142.A O no hydrogen 2.991 N/A SER 146.A OG CYS 143.A O no hydrogen 3.005 N/A ILE 147.A N CYS 143.A O no hydrogen 2.987 N/A ILE 148.A N LEU 144.A O no hydrogen 3.059 N/A LEU 149.A N LYS 145.A O no hydrogen 3.155 N/A LEU 150.A N SER 146.A O no hydrogen 2.937 N/A ASN 151.A N ILE 147.A O no hydrogen 2.767 N/A ASN 151.A N ILE 148.A O no hydrogen 3.320 N/A SER 152.A N ILE 148.A O no hydrogen 3.027 N/A SER 152.A OG GLU 81.A OE1 no hydrogen 3.499 N/A SER 152.A OG GLU 81.A OE2 no hydrogen 2.739 N/A SER 152.A OG ILE 148.A O no hydrogen 3.103 N/A VAL 154.A N ASN 151.A O no hydrogen 3.032 N/A THR 156.A N GLY 153.A O no hydrogen 3.103 N/A THR 156.A OG1 HIS 73.A NE2 no hydrogen 2.783 N/A THR 156.A OG1 GLY 153.A O no hydrogen 2.860 N/A HIS 161.A NE2 GLY 62.A O no hydrogen 3.237 N/A HIS 163.A N LYS 159.A O no hydrogen 3.156 N/A ARG 164.A N ASP 160.A O no hydrogen 3.063 N/A VAL 165.A N HIS 161.A O no hydrogen 2.903 N/A LEU 166.A N ILE 162.A O no hydrogen 2.857 N/A ASP 167.A N HIS 163.A O no hydrogen 2.880 N/A LYS 168.A N ARG 164.A O no hydrogen 2.963 N/A LYS 168.A NZ LEU 6.A O no hydrogen 2.591 N/A ILE 169.A N VAL 165.A O no hydrogen 2.987 N/A THR 170.A N LEU 166.A O no hydrogen 2.970 N/A THR 170.A OG1 LEU 166.A O no hydrogen 3.195 N/A ASP 171.A N ASP 167.A O no hydrogen 2.988 N/A THR 172.A N LYS 168.A O no hydrogen 3.146 N/A THR 172.A OG1 LYS 168.A O no hydrogen 2.760 N/A LEU 173.A N ILE 169.A O no hydrogen 2.922 N/A ILE 174.A N THR 170.A O no hydrogen 3.002 N/A HIS 175.A N ASP 171.A O no hydrogen 2.733 N/A LEU 176.A N THR 172.A O no hydrogen 2.957 N/A MET 177.A N LEU 173.A O no hydrogen 3.033 N/A ALA 178.A N ILE 174.A O no hydrogen 2.933 N/A LYS 179.A N HIS 175.A O no hydrogen 3.352 N/A ALA 180.A N LEU 176.A O no hydrogen 3.199 N/A GLY 181.A N ALA 178.A O no hydrogen 2.991 N/A LEU 182.A N MET 177.A O no hydrogen 3.329 N/A THR 183.A N GLN 186.A OE1 no hydrogen 3.182 N/A GLN 187.A N THR 183.A O no hydrogen 2.933 N/A GLN 187.A N LEU 184.A O no hydrogen 2.945 N/A GLN 187.A NE2 LEU 182.A O no hydrogen 2.655 N/A HIS 188.A N LEU 184.A O no hydrogen 3.240 N/A GLN 189.A N GLN 185.A O no hydrogen 3.101 N/A ARG 190.A N GLN 186.A O no hydrogen 3.036 N/A ARG 190.A NE GLU 140.A OE2 no hydrogen 2.675 N/A ARG 190.A NH1 MET 134.A O no hydrogen 2.897 N/A ARG 190.A NH2 MET 134.A O no hydrogen 3.210 N/A ARG 190.A NH2 ASN 135.A O no hydrogen 3.493 N/A ARG 190.A NH2 GLU 140.A OE1 no hydrogen 2.815 N/A ARG 190.A NH2 GLU 140.A OE2 no hydrogen 3.161 N/A LEU 191.A N GLN 187.A O no hydrogen 2.989 N/A ALA 192.A N HIS 188.A O no hydrogen 2.966 N/A GLN 193.A N GLN 189.A O no hydrogen 2.926 N/A LEU 194.A N ARG 190.A O no hydrogen 2.859 N/A LEU 195.A N LEU 191.A O no hydrogen 3.022 N/A LEU 196.A N ALA 192.A O no hydrogen 2.811 N/A ILE 197.A N GLN 193.A O no hydrogen 3.431 N/A ILE 197.A N LEU 194.A O no hydrogen 3.216 N/A LEU 198.A N LEU 195.A O no hydrogen 3.084 N/A SER 199.A N LEU 196.A O no hydrogen 3.042 N/A HIS 200.A N ILE 197.A O no hydrogen 3.074 N/A ILE 201.A N ILE 197.A O no hydrogen 3.029 N/A ARG 202.A N LEU 198.A O no hydrogen 2.971 N/A ARG 202.A NH1 SER 152.A O no hydrogen 3.133 N/A ARG 202.A NH2 SER 152.A O no hydrogen 3.110 N/A HIS 203.A N SER 199.A O no hydrogen 3.128 N/A MET 204.A N HIS 200.A O no hydrogen 2.831 N/A SER 205.A N ILE 201.A O no hydrogen 2.896 N/A ASN 206.A N ARG 202.A O no hydrogen 2.979 N/A LYS 207.A N HIS 203.A O no hydrogen 3.020 N/A GLY 208.A N MET 204.A O no hydrogen 2.759 N/A MET 209.A N SER 205.A O no hydrogen 2.810 N/A GLU 210.A N ASN 206.A O no hydrogen 3.362 N/A HIS 211.A N LYS 207.A O no hydrogen 3.414 N/A HIS 211.A N GLY 208.A O no hydrogen 3.069 N/A HIS 211.A NE2 GLU 119.A OE1 no hydrogen 2.919 N/A LEU 212.A N GLY 208.A O no hydrogen 3.038 N/A TYR 213.A N MET 209.A O no hydrogen 2.981 N/A SER 214.A N GLU 210.A O no hydrogen 3.132 N/A MET 215.A N HIS 211.A O no hydrogen 2.934 N/A LYS 216.A N LEU 212.A O no hydrogen 2.872 N/A LYS 216.A NZ ASP 232.A OD1 no hydrogen 3.026 N/A CYS 217.A N TYR 213.A O no hydrogen 2.951 N/A LYS 218.A N SER 214.A O no hydrogen 2.807 N/A ASN 219.A N MET 215.A O no hydrogen 2.696 N/A SER 224.A OG ASP 47.A OD1 no hydrogen 2.569 N/A LEU 227.A N SER 224.A OG no hydrogen 3.184 N/A LEU 228.A N SER 224.A O no hydrogen 2.936 N/A GLU 229.A N ASP 225.A O no hydrogen 3.081 N/A MET 230.A N LEU 226.A O no hydrogen 2.926 N/A LEU 231.A N LEU 227.A O no hydrogen 2.758 N/A ASP 232.A N LEU 228.A O no hydrogen 2.794 N/A HIS 234.A N LEU 231.A O no hydrogen 2.797 N/A HIS 234.A NE2 GLU 76.A O no hydrogen 2.560 N/A