Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5du8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 2.A N GLU 32.A OE1 no hydrogen 3.053 N/A GLY 4.A N GLU 15.A O no hydrogen 2.764 N/A THR 6.A N THR 13.A O no hydrogen 2.902 N/A ALA 8.A N VAL 11.A O no hydrogen 3.096 N/A VAL 11.A N ALA 8.A O no hydrogen 2.864 N/A LEU 12.A N ALA 47.A O no hydrogen 3.007 N/A THR 13.A N THR 6.A O no hydrogen 2.687 N/A THR 13.A OG1 GLN 169.A OE1 no hydrogen 3.075 N/A ILE 14.A N VAL 49.A O no hydrogen 2.783 N/A GLU 15.A N GLY 4.A O no hydrogen 2.646 N/A LEU 16.A N THR 51.A O no hydrogen 2.807 N/A GLN 17.A N MET 2.A O no hydrogen 2.762 N/A GLN 17.A NE2 GLU 15.A OE1 no hydrogen 2.905 N/A ARG 18.A N ASN 23.A OD1 no hydrogen 2.982 N/A ARG 18.A NH1 ALA 24.A O no hydrogen 2.570 N/A ARG 18.A NH1 ASP 62.A OD1 no hydrogen 2.968 N/A ARG 18.A NH2 ASP 62.A OD1 no hydrogen 2.957 N/A GLU 20.A N GLU 20.A OE1 no hydrogen 2.804 N/A ARG 21.A N ARG 18.A O no hydrogen 3.135 N/A ARG 21.A NH1 ASP 62.A OD1 no hydrogen 2.628 N/A ARG 21.A NH2 ASP 62.A OD2 no hydrogen 3.487 N/A ARG 22.A N PRO 19.A O no hydrogen 2.852 N/A ASN 23.A N ARG 18.A O no hydrogen 2.711 N/A ASN 23.A ND2 GLN 53.A O no hydrogen 2.867 N/A ASN 23.A ND2 ALA 56.A O no hydrogen 2.857 N/A ASN 23.A ND2 PHE 57.A O no hydrogen 3.426 N/A ALA 24.A N ARG 21.A O no hydrogen 3.071 N/A LEU 25.A N GLY 60.A O no hydrogen 2.977 N/A GLN 28.A NE2 GLU 32.A OE2 no hydrogen 3.209 N/A LEU 29.A N ASN 26.A OD1 no hydrogen 3.141 N/A VAL 30.A N ASN 26.A O no hydrogen 2.942 N/A GLU 31.A N SER 27.A O no hydrogen 2.875 N/A GLU 32.A N GLN 28.A O no hydrogen 2.945 N/A LEU 33.A N LEU 29.A O no hydrogen 2.971 N/A THR 34.A N VAL 30.A O no hydrogen 3.002 N/A THR 34.A OG1 VAL 30.A O no hydrogen 2.718 N/A GLN 35.A N GLU 31.A O no hydrogen 3.006 N/A ALA 36.A N GLU 32.A O no hydrogen 3.036 N/A ILE 37.A N LEU 33.A O no hydrogen 3.047 N/A ARG 38.A N THR 34.A O no hydrogen 3.021 N/A LYS 39.A N GLN 35.A O no hydrogen 2.854 N/A ALA 40.A N ILE 37.A O no hydrogen 3.247 N/A ASP 42.A N LYS 39.A O no hydrogen 3.010 N/A SER 44.A OG GLN 7.A OE1 no hydrogen 3.435 N/A ARG 46.A N ALA 10.A O no hydrogen 2.877 N/A ILE 48.A N PRO 79.A O no hydrogen 2.908 N/A VAL 49.A N LEU 12.A O no hydrogen 2.719 N/A LEU 50.A N VAL 81.A O no hydrogen 2.885 N/A THR 51.A N ILE 14.A O no hydrogen 3.102 N/A THR 51.A OG1 ALA 83.A O no hydrogen 2.724 N/A THR 51.A OG1 ASN 85.A OD1 no hydrogen 3.266 N/A GLY 52.A N ASN 85.A OD1 no hydrogen 2.915 N/A GLN 53.A N LEU 16.A O no hydrogen 2.897 N/A PHE 57.A N PRO 87.A O no hydrogen 3.165 N/A CYS 58.A N PRO 87.A O no hydrogen 3.072 N/A CYS 58.A SG ASN 23.A O no hydrogen 3.346 N/A CYS 58.A SG GLY 60.A O no hydrogen 3.498 N/A ALA 59.A N ARG 22.A O no hydrogen 2.891 N/A ASP 62.A N LEU 25.A O no hydrogen 2.826 N/A ILE 67.A N PRO 63.A O no hydrogen 2.886 N/A GLU 68.A N ASP 64.A O no hydrogen 3.077 N/A LEU 69.A N ARG 65.A O no hydrogen 2.933 N/A HIS 70.A N LEU 66.A O no hydrogen 3.170 N/A HIS 70.A ND1 GLN 98.A OE1 no hydrogen 2.824 N/A LYS 71.A N ILE 67.A O no hydrogen 2.890 N/A LYS 71.A NZ GLU 68.A OE2 no hydrogen 3.494 N/A ALA 72.A N GLU 68.A O no hydrogen 2.916 N/A MET 73.A N LEU 69.A O no hydrogen 3.043 N/A ASP 74.A N HIS 70.A O no hydrogen 2.804 N/A ALA 75.A N LYS 71.A O no hydrogen 2.791 N/A SER 76.A N MET 73.A O no hydrogen 3.335 N/A SER 76.A OG MET 78.A O no hydrogen 3.505 N/A MET 78.A N SER 76.A OG no hydrogen 3.161 N/A VAL 80.A N ASP 100.A OD2 no hydrogen 2.743 N/A VAL 81.A N ILE 48.A O no hydrogen 2.743 N/A GLY 82.A N LEU 101.A O no hydrogen 2.685 N/A ALA 83.A N LEU 50.A O no hydrogen 2.764 N/A ILE 84.A N VAL 103.A O no hydrogen 2.911 N/A ASN 85.A ND2 GLY 54.A O no hydrogen 3.044 N/A ASN 85.A ND2 ALA 56.A O no hydrogen 2.965 N/A ALA 88.A N PHE 109.A O no hydrogen 2.921 N/A ILE 89.A N CYS 58.A O no hydrogen 2.979 N/A GLY 90.A N GLN 111.A O no hydrogen 2.822 N/A GLY 92.A N ILE 89.A O no hydrogen 2.911 N/A GLN 94.A N GLY 90.A O no hydrogen 2.984 N/A GLN 94.A NE2 SER 125.A OG no hydrogen 2.739 N/A LEU 95.A N ALA 91.A O no hydrogen 2.962 N/A ALA 96.A N GLY 92.A O no hydrogen 2.896 N/A MET 97.A N LEU 93.A O no hydrogen 2.805 N/A GLN 98.A N LEU 95.A O no hydrogen 3.199 N/A GLN 98.A NE2 GLN 98.A O no hydrogen 3.593 N/A CYS 99.A N ALA 96.A O no hydrogen 3.304 N/A CYS 99.A SG LEU 95.A O no hydrogen 3.735 N/A ASP 100.A N VAL 80.A O no hydrogen 2.894 N/A LEU 101.A N VAL 80.A O no hydrogen 3.223 N/A ARG 102.A N ASN 160.A OD1 no hydrogen 2.775 N/A ARG 102.A NE MET 158.A O no hydrogen 2.876 N/A ARG 102.A NH2 ALA 96.A O no hydrogen 2.799 N/A ARG 102.A NH2 CYS 99.A O no hydrogen 2.722 N/A VAL 103.A N GLY 82.A O no hydrogen 2.796 N/A VAL 104.A N ARG 161.A O no hydrogen 2.848 N/A ALA 105.A N ILE 84.A O no hydrogen 2.990 N/A ALA 108.A N ALA 105.A O no hydrogen 2.950 N/A PHE 110.A N LEU 148.A O no hydrogen 2.843 N/A GLN 111.A N ALA 88.A O no hydrogen 3.161 N/A GLN 111.A NE2 ALA 145.A O no hydrogen 2.817 N/A LYS 116.A N PRO 113.A O no hydrogen 2.819 N/A TYR 117.A N PRO 113.A O no hydrogen 3.258 N/A TYR 117.A N THR 114.A O no hydrogen 2.915 N/A LEU 119.A N THR 114.A O no hydrogen 3.124 N/A ASN 123.A ND2 GLU 197.A OE1 no hydrogen 2.655 N/A ASN 123.A ND2 HIS 203.A ND1 no hydrogen 3.060 N/A SER 125.A N ASP 122.A OD2 no hydrogen 2.898 N/A SER 125.A OG ASP 122.A OD1 no hydrogen 2.769 N/A SER 125.A OG ASP 122.A OD2 no hydrogen 3.451 N/A ARG 127.A N ASN 123.A O no hydrogen 2.893 N/A ARG 127.A NE GLU 197.A OE1 no hydrogen 3.023 N/A ARG 127.A NH2 GLU 197.A OE1 no hydrogen 3.343 N/A ARG 128.A N TRP 124.A O no hydrogen 2.770 N/A ARG 128.A NH1 SER 131.A OG no hydrogen 2.894 N/A ARG 128.A NH1 ASP 193.A OD1 no hydrogen 3.545 N/A ARG 128.A NH1 ASP 193.A OD2 no hydrogen 2.832 N/A ARG 128.A NH2 ASP 193.A OD1 no hydrogen 2.873 N/A LEU 129.A N SER 125.A O no hydrogen 3.196 N/A SER 130.A N ILE 126.A O no hydrogen 3.006 N/A SER 130.A OG ILE 126.A O no hydrogen 2.946 N/A SER 131.A N ARG 127.A O no hydrogen 3.094 N/A SER 131.A OG ARG 128.A O no hydrogen 2.610 N/A LEU 132.A N ARG 128.A O no hydrogen 3.054 N/A LEU 132.A N LEU 129.A O no hydrogen 2.985 N/A VAL 133.A N LEU 129.A O no hydrogen 2.871 N/A GLY 134.A N SER 130.A O no hydrogen 2.794 N/A ALA 138.A N GLY 134.A O no hydrogen 3.004 N/A ARG 139.A N HIS 135.A O no hydrogen 2.922 N/A ARG 139.A NH1 HIS 135.A NE2 no hydrogen 2.789 N/A ALA 140.A N GLY 136.A O no hydrogen 3.442 N/A MET 141.A N ARG 137.A O no hydrogen 2.858 N/A LEU 142.A N ALA 138.A O no hydrogen 2.777 N/A LEU 143.A N ARG 139.A O no hydrogen 2.710 N/A SER 144.A N ALA 140.A O no hydrogen 2.986 N/A SER 144.A OG ALA 140.A O no hydrogen 2.761 N/A GLU 146.A N ALA 140.A O no hydrogen 3.470 N/A LEU 148.A N PHE 110.A O no hydrogen 2.875 N/A THR 149.A OG1 GLU 151.A OE1 no hydrogen 3.452 N/A ALA 150.A N ALA 108.A O no hydrogen 3.233 N/A ILE 152.A N THR 149.A OG1 no hydrogen 3.067 N/A ALA 153.A N THR 149.A O no hydrogen 2.753 N/A LEU 154.A N ALA 150.A O no hydrogen 2.890 N/A HIS 155.A N GLU 151.A O no hydrogen 3.148 N/A THR 156.A N ILE 152.A O no hydrogen 2.921 N/A THR 156.A OG1 LEU 132.A O no hydrogen 3.146 N/A THR 156.A OG1 ALA 153.A O no hydrogen 3.417 N/A GLY 157.A N ALA 153.A O no hydrogen 3.014 N/A MET 158.A N THR 156.A OG1 no hydrogen 3.418 N/A ALA 159.A N ALA 153.A O no hydrogen 2.875 N/A ASN 160.A N ARG 102.A O no hydrogen 2.916 N/A ARG 161.A N ARG 102.A O no hydrogen 3.317 N/A GLY 163.A N VAL 104.A O no hydrogen 2.948 N/A THR 164.A N ASP 167.A OD2 no hydrogen 2.777 N/A THR 164.A OG1 ASP 167.A OD2 no hydrogen 2.857 N/A ASP 167.A N THR 164.A OG1 no hydrogen 3.175 N/A ALA 168.A N THR 164.A O no hydrogen 3.070 N/A GLN 169.A N LEU 165.A O no hydrogen 2.925 N/A GLN 169.A NE2 LEU 165.A O no hydrogen 3.621 N/A ALA 170.A N ALA 166.A O no hydrogen 3.074 N/A TRP 171.A N ASP 167.A O no hydrogen 3.080 N/A ALA 172.A N ALA 168.A O no hydrogen 2.842 N/A ALA 173.A N GLN 169.A O no hydrogen 2.918 N/A GLU 174.A N ALA 170.A O no hydrogen 3.177 N/A ILE 175.A N TRP 171.A O no hydrogen 2.961 N/A ALA 176.A N ALA 172.A O no hydrogen 2.775 N/A ARG 177.A N GLU 174.A O no hydrogen 2.907 N/A LEU 178.A N ILE 175.A O no hydrogen 2.845 N/A ILE 183.A N ALA 179.A O no hydrogen 3.160 N/A GLN 184.A N PRO 180.A O no hydrogen 2.810 N/A HIS 185.A N LEU 181.A O no hydrogen 3.060 N/A ALA 186.A N ALA 182.A O no hydrogen 3.107 N/A LYS 187.A N ILE 183.A O no hydrogen 2.914 N/A LYS 187.A NZ MET 73.A O no hydrogen 2.963 N/A LYS 187.A NZ SER 76.A O no hydrogen 3.088 N/A LYS 187.A NZ MET 78.A O no hydrogen 3.182 N/A LYS 187.A NZ ASP 100.A OD2 no hydrogen 2.956 N/A ARG 188.A N GLN 184.A O no hydrogen 3.000 N/A ARG 188.A NE ASP 192.A OD1 no hydrogen 3.191 N/A ARG 188.A NE ASP 192.A OD2 no hydrogen 2.905 N/A ARG 188.A NH1 ASP 74.A O no hydrogen 3.142 N/A ARG 188.A NH1 ASP 74.A OD2 no hydrogen 3.273 N/A ARG 188.A NH2 ASP 74.A OD1 no hydrogen 3.094 N/A ARG 188.A NH2 ASP 74.A OD2 no hydrogen 3.363 N/A ARG 188.A NH2 ASP 192.A OD1 no hydrogen 2.550 N/A VAL 189.A N HIS 185.A O no hydrogen 2.999 N/A LEU 190.A N ALA 186.A O no hydrogen 2.958 N/A ASN 191.A N LYS 187.A O no hydrogen 2.960 N/A ASN 191.A ND2 ASP 74.A OD1 no hydrogen 2.998 N/A ASP 192.A N ARG 188.A O no hydrogen 2.995 N/A ASP 193.A N LEU 190.A O no hydrogen 3.288 N/A ALA 195.A N ASP 193.A OD1 no hydrogen 3.147 N/A TRP 200.A N HIS 203.A ND1 no hydrogen 3.249 N/A LYS 204.A N TRP 200.A O no hydrogen 3.045 N/A GLU 205.A N PRO 201.A O no hydrogen 3.064 N/A LEU 206.A N ALA 202.A O no hydrogen 3.082 N/A PHE 207.A N HIS 203.A O no hydrogen 2.767 N/A ASP 208.A N LYS 204.A O no hydrogen 2.866 N/A LYS 209.A N GLU 205.A O no hydrogen 2.906 N/A ALA 210.A N LEU 206.A O no hydrogen 3.019 N/A TRP 211.A N PHE 207.A O no hydrogen 3.042 N/A TRP 211.A NE1 ALA 120.A O no hydrogen 2.910 N/A GLY 212.A N ASP 208.A O no hydrogen 3.012 N/A SER 213.A N ALA 210.A O no hydrogen 3.221 N/A SER 213.A OG ALA 210.A O no hydrogen 2.743 N/A GLN 214.A N ALA 234.A OXT no hydrogen 2.942 N/A ASP 215.A N ALA 234.A O no hydrogen 3.076 N/A VAL 216.A N SER 213.A O no hydrogen 3.370 N/A ILE 217.A N GLN 214.A O no hydrogen 2.942 N/A GLU 218.A N GLN 214.A O no hydrogen 3.166 N/A ALA 219.A N ASP 215.A O no hydrogen 3.001 N/A GLN 220.A N VAL 216.A O no hydrogen 3.332 N/A VAL 221.A N ILE 217.A O no hydrogen 3.061 N/A ALA 222.A N GLU 218.A O no hydrogen 2.960 N/A ARG 223.A N ALA 219.A O no hydrogen 3.114 N/A MET 224.A N GLN 220.A O no hydrogen 2.995 N/A GLU 225.A N VAL 221.A O no hydrogen 3.006 N/A GLU 225.A N ALA 222.A O no hydrogen 3.209 N/A LYS 226.A N ARG 223.A O no hydrogen 3.291 N/A ARG 227.A N ALA 222.A O no hydrogen 2.989 N/A ARG 227.A NE GLU 225.A OE1 no hydrogen 2.628 N/A ARG 227.A NH1 GLU 218.A OE2 no hydrogen 2.985 N/A ARG 227.A NH1 PRO 228.A O no hydrogen 2.989 N/A ARG 227.A NH2 GLU 218.A OE1 no hydrogen 3.538 N/A ARG 227.A NH2 GLU 218.A OE2 no hydrogen 3.323 N/A LYS 230.A N GLU 218.A OE2 no hydrogen 2.800 N/A GLN 232.A N ASP 215.A OD1 no hydrogen 2.827 N/A GLN 232.A N ASP 215.A OD2 no hydrogen 3.310 N/A GLY 233.A N ASP 215.A OD2 no hydrogen 2.749 N/A