Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ddh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 104.A OE1 no hydrogen 3.118 N/A MET 1.A N GLU 104.A OE2 no hydrogen 2.905 N/A HIS 3.A N VAL 103.A O no hydrogen 3.062 N/A HIS 3.A ND1 ASP 29.A OD1 no hydrogen 2.821 N/A SER 4.A N ASP 29.A OD1 no hydrogen 3.413 N/A LEU 5.A N CYS 101.A O no hydrogen 3.125 N/A ARG 6.A N TYR 27.A O no hydrogen 2.620 N/A TYR 7.A N ALA 99.A O no hydrogen 2.823 N/A PHE 8.A N VAL 25.A O no hydrogen 2.666 N/A VAL 9.A N TRP 97.A O no hydrogen 2.628 N/A THR 10.A N MET 23.A O no hydrogen 2.962 N/A ALA 11.A N LEU 95.A O no hydrogen 2.756 N/A VAL 12.A N ARG 21.A O no hydrogen 2.784 N/A ARG 14.A NE GLU 19.A O no hydrogen 2.782 N/A ARG 14.A NH1 ASP 39.A OD1 no hydrogen 3.126 N/A ARG 14.A NH1 ASP 39.A OD2 no hydrogen 3.547 N/A ARG 14.A NH2 GLU 19.A O no hydrogen 2.855 N/A ARG 14.A NH2 ASP 39.A OD1 no hydrogen 3.154 N/A PHE 17.A N ARG 14.A O no hydrogen 3.048 N/A ARG 21.A N VAL 12.A O no hydrogen 3.157 N/A TYR 22.A N SER 38.A OG no hydrogen 2.978 N/A MET 23.A N THR 10.A O no hydrogen 2.957 N/A GLU 24.A N PHE 36.A O no hydrogen 2.918 N/A VAL 25.A N PHE 8.A O no hydrogen 2.639 N/A GLY 26.A N VAL 34.A O no hydrogen 2.748 N/A VAL 28.A N THR 31.A O no hydrogen 3.249 N/A ASP 29.A N SER 4.A O no hydrogen 2.861 N/A THR 31.A N VAL 28.A O no hydrogen 2.868 N/A THR 31.A OG1 VAL 28.A O no hydrogen 2.879 N/A THR 31.A OG1 TYR 209.A OH no hydrogen 3.005 N/A PHE 33.A N GLY 26.A O no hydrogen 2.979 N/A ARG 35.A N GLU 46.A O no hydrogen 2.911 N/A PHE 36.A N GLU 24.A O no hydrogen 2.832 N/A SER 38.A N TYR 22.A O no hydrogen 2.907 N/A SER 38.A OG TYR 22.A O no hydrogen 2.593 N/A ALA 40.A N SER 38.A O no hydrogen 2.766 N/A ARG 44.A NH1 GLU 61.A OE1 no hydrogen 2.562 N/A ARG 44.A NH2 GLU 61.A OE1 no hydrogen 2.653 N/A TYR 45.A N THR 64.A OG1 no hydrogen 3.107 N/A TYR 45.A OH GLU 24.A OE1 no hydrogen 2.604 N/A GLU 46.A N ARG 35.A O no hydrogen 2.815 N/A ARG 48.A NE GLU 32.A OE2 no hydrogen 2.670 N/A ARG 48.A NH2 GLU 32.A OE2 no hydrogen 3.013 N/A GLN 54.A N TRP 51.A O no hydrogen 3.461 N/A GLU 55.A N ILE 52.A O no hydrogen 2.684 N/A TYR 59.A N GLY 56.A O no hydrogen 3.160 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.733 N/A TRP 60.A N GLY 56.A O no hydrogen 3.401 N/A GLU 61.A N PRO 57.A O no hydrogen 2.979 N/A ARG 62.A N GLU 58.A O no hydrogen 3.051 N/A GLU 63.A N TRP 60.A O no hydrogen 3.302 N/A THR 64.A N TRP 60.A O no hydrogen 2.826 N/A THR 64.A OG1 TRP 60.A O no hydrogen 3.106 N/A ARG 65.A N GLU 61.A O no hydrogen 3.352 N/A ARG 66.A NH2 GLU 24.A OE1 no hydrogen 3.111 N/A ALA 67.A N GLU 63.A O no hydrogen 2.828 N/A ASN 68.A N THR 64.A O no hydrogen 2.767 N/A GLY 69.A N ARG 65.A O no hydrogen 2.892 N/A ASN 70.A N ARG 66.A O no hydrogen 3.167 N/A GLU 71.A N ALA 67.A O no hydrogen 2.881 N/A GLN 72.A N GLY 69.A O no hydrogen 2.695 N/A SER 73.A N GLY 69.A O no hydrogen 3.234 N/A PHE 74.A N ASN 70.A O no hydrogen 2.814 N/A ARG 75.A N GLU 71.A O no hydrogen 2.969 N/A ARG 75.A NE GLU 71.A OE2 no hydrogen 3.265 N/A ARG 75.A NH2 GLU 71.A OE2 no hydrogen 3.010 N/A VAL 76.A N GLN 72.A O no hydrogen 3.241 N/A ASP 77.A N SER 73.A O no hydrogen 3.151 N/A LEU 78.A N PHE 74.A O no hydrogen 2.761 N/A ARG 79.A N ARG 75.A O no hydrogen 2.933 N/A THR 80.A N VAL 76.A O no hydrogen 2.739 N/A THR 80.A OG1 VAL 76.A O no hydrogen 3.141 N/A ALA 81.A N ASP 77.A O no hydrogen 2.792 N/A ALA 81.A N LEU 78.A O no hydrogen 2.894 N/A TYR 84.A N THR 80.A O no hydrogen 3.184 N/A TYR 85.A N LEU 82.A O no hydrogen 2.782 N/A TYR 85.A OH ASP 137.A OD1 no hydrogen 3.276 N/A TYR 85.A OH ASP 137.A OD2 no hydrogen 2.983 N/A ASN 86.A N ARG 83.A O no hydrogen 3.125 N/A GLN 87.A N LEU 82.A O no hydrogen 3.143 N/A GLY 91.A N SER 88.A O no hydrogen 3.157 N/A SER 92.A OG SER 13.A O no hydrogen 2.613 N/A HIS 93.A N SER 13.A O no hydrogen 3.146 N/A HIS 93.A ND1 GLY 91.A O no hydrogen 3.053 N/A THR 94.A N ASP 119.A OD1 no hydrogen 3.137 N/A THR 94.A OG1 GLN 96.A OE1 no hydrogen 3.569 N/A THR 94.A OG1 ASP 119.A O no hydrogen 2.915 N/A LEU 95.A N ALA 11.A O no hydrogen 2.735 N/A GLN 96.A N ALA 117.A O no hydrogen 2.829 N/A TRP 97.A N VAL 9.A O no hydrogen 2.787 N/A MET 98.A N GLN 115.A O no hydrogen 3.207 N/A ALA 99.A N TYR 7.A O no hydrogen 3.142 N/A GLY 100.A N TYR 113.A O no hydrogen 2.940 N/A CYS 101.A N LEU 5.A O no hydrogen 3.072 N/A ASP 102.A N ARG 111.A O no hydrogen 2.737 N/A GLU 104.A N ARG 108.A O no hydrogen 2.784 N/A SER 105.A N GLU 104.A OE1 no hydrogen 2.941 N/A ARG 108.A N ASP 106.A OD1 no hydrogen 3.067 N/A LEU 110.A N ASP 102.A O no hydrogen 2.389 N/A ARG 111.A N ASP 102.A O no hydrogen 3.179 N/A TYR 113.A N GLY 100.A O no hydrogen 2.653 N/A TYR 113.A OH ASP 102.A OD2 no hydrogen 2.908 N/A GLN 115.A N MET 98.A O no hydrogen 2.866 N/A PHE 116.A N ILE 124.A O no hydrogen 2.704 N/A ALA 117.A N GLN 96.A O no hydrogen 3.157 N/A TYR 118.A OH GLN 87.A OE1 no hydrogen 3.013 N/A ASP 119.A N THR 94.A O no hydrogen 2.467 N/A GLY 120.A N TYR 118.A O no hydrogen 2.905 N/A TYR 123.A N PHE 116.A O no hydrogen 2.810 N/A ALA 125.A N THR 134.A O no hydrogen 3.373 N/A LEU 126.A N TRP 114.A O no hydrogen 2.968 N/A ASN 127.A N THR 132.A O no hydrogen 2.615 N/A ASN 127.A ND2 THR 132.A O no hydrogen 3.026 N/A ASN 127.A ND2 TRP 133.A O no hydrogen 2.994 N/A LEU 130.A N ASN 127.A O no hydrogen 2.920 N/A LYS 131.A N ASP 129.A OD1 no hydrogen 3.047 N/A THR 132.A N ASP 129.A OD1 no hydrogen 3.219 N/A THR 132.A OG1 ASP 129.A OD1 no hydrogen 2.842 N/A THR 132.A OG1 ASP 129.A OD2 no hydrogen 2.693 N/A THR 134.A OG1 ASN 127.A OD1 no hydrogen 3.333 N/A ALA 136.A N TYR 123.A O no hydrogen 3.047 N/A ALA 140.A N ASP 137.A OD1 no hydrogen 3.472 N/A ILE 142.A N ALA 139.A O no hydrogen 2.968 N/A ARG 144.A N ALA 140.A O no hydrogen 2.738 N/A ARG 145.A N GLN 141.A O no hydrogen 3.237 N/A LYS 146.A N ILE 142.A O no hydrogen 2.849 N/A TRP 147.A N THR 143.A O no hydrogen 2.724 N/A GLU 148.A N ARG 144.A O no hydrogen 2.766 N/A GLU 148.A N ARG 145.A O no hydrogen 2.753 N/A GLN 149.A N ARG 145.A O no hydrogen 3.345 N/A ALA 150.A N LYS 146.A O no hydrogen 3.358 N/A GLY 151.A N GLU 148.A O no hydrogen 2.836 N/A ALA 152.A N TRP 147.A O no hydrogen 2.894 N/A ASP 156.A N ALA 152.A O no hydrogen 3.414 N/A ARG 157.A N ALA 153.A O no hydrogen 2.692 N/A TYR 159.A N ASP 156.A O no hydrogen 2.694 N/A LEU 160.A N ASP 156.A O no hydrogen 2.992 N/A GLU 161.A N ARG 157.A O no hydrogen 2.943 N/A CYS 164.A N TYR 159.A O no hydrogen 2.918 N/A CYS 164.A SG LEU 5.A O no hydrogen 3.992 N/A GLU 166.A N GLY 162.A O no hydrogen 2.910 N/A TRP 167.A N GLU 163.A O no hydrogen 2.698 N/A LEU 168.A N CYS 164.A O no hydrogen 2.684 N/A ARG 169.A N VAL 165.A O no hydrogen 3.217 N/A ARG 169.A NH1 GLY 107.A O no hydrogen 3.524 N/A ARG 170.A NH1 GLU 166.A OE2 no hydrogen 2.874 N/A TYR 171.A N TRP 167.A O no hydrogen 2.875 N/A TYR 171.A OH TYR 59.A OH no hydrogen 2.733 N/A LEU 172.A N LEU 168.A O no hydrogen 2.975 N/A LYS 173.A N ARG 169.A O no hydrogen 2.748 N/A ASN 174.A N ARG 170.A O no hydrogen 3.038 N/A GLY 175.A N LEU 172.A O no hydrogen 2.885 N/A THR 178.A OG1 GLY 175.A O no hydrogen 2.539 N/A LEU 179.A N GLY 175.A O no hydrogen 2.916 N/A THR 182.A OG1 LEU 180.A O no hydrogen 3.007 N/A ASP 183.A N TYR 209.A O no hydrogen 2.820 N/A LYS 186.A N LEU 206.A O no hydrogen 3.041 N/A HIS 188.A N TRP 204.A O no hydrogen 3.369 N/A THR 190.A N ARG 202.A O no hydrogen 2.682 N/A THR 190.A OG1 ARG 202.A O no hydrogen 3.078 N/A HIS 192.A N THR 200.A O no hydrogen 3.295 N/A ASP 198.A N PRO 195.A O no hydrogen 3.112 N/A VAL 199.A N VAL 249.A O no hydrogen 2.832 N/A THR 200.A N HIS 192.A O no hydrogen 3.380 N/A THR 200.A OG1 VAL 247.A O no hydrogen 2.815 N/A LEU 201.A N VAL 247.A O no hydrogen 3.187 N/A ARG 202.A N THR 190.A O no hydrogen 2.902 N/A ARG 202.A NE SER 246.A OG no hydrogen 3.046 N/A CYS 203.A N ALA 245.A O no hydrogen 2.802 N/A CYS 203.A SG TRP 204.A O no hydrogen 3.817 N/A TRP 204.A N HIS 188.A O no hydrogen 3.157 N/A ALA 205.A N LYS 243.A O no hydrogen 3.031 N/A PHE 208.A N PHE 241.A O no hydrogen 3.308 N/A TYR 209.A N ASP 183.A O no hydrogen 3.010 N/A THR 214.A N GLU 262.A O no hydrogen 3.247 N/A THR 216.A N HIS 260.A O no hydrogen 2.867 N/A TRP 217.A NE1 ALA 245.A O no hydrogen 2.790 N/A GLN 218.A N THR 258.A O no hydrogen 2.559 N/A GLN 218.A NE2 GLY 221.A O no hydrogen 2.812 N/A LEU 219.A N GLU 222.A O no hydrogen 2.959 N/A GLU 222.A N LEU 219.A O no hydrogen 2.973 N/A LEU 224.A N GLU 223.A OE1 no hydrogen 3.137 N/A THR 225.A N GLU 227.A OE2 no hydrogen 3.179 N/A GLU 227.A N THR 225.A O no hydrogen 2.459 N/A MET 228.A N THR 225.A O no hydrogen 2.722 N/A ARG 234.A NE GLN 242.A OE1 no hydrogen 2.764 N/A ARG 234.A NH2 GLN 242.A OE1 no hydrogen 3.136 N/A ALA 236.A N THR 240.A O no hydrogen 2.905 N/A ASP 238.A N ALA 236.A O no hydrogen 2.787 N/A GLY 239.A N GLY 237.A O no hydrogen 2.777 N/A THR 240.A OG1 ASP 238.A O no hydrogen 2.840 N/A THR 240.A OG1 ASP 238.A OD1 no hydrogen 2.344 N/A GLN 242.A N ARG 234.A O no hydrogen 2.907 N/A ALA 245.A N CYS 203.A O no hydrogen 2.886 N/A SER 246.A N GLU 229.A O no hydrogen 2.737 N/A VAL 247.A N LEU 201.A O no hydrogen 3.114 N/A VAL 249.A N VAL 199.A O no hydrogen 2.819 N/A LEU 251.A N GLY 197.A O no hydrogen 2.996 N/A GLY 252.A N GLN 254.A OE1 no hydrogen 2.815 N/A LYS 253.A N PRO 250.A O no hydrogen 3.088 N/A LYS 253.A N GLN 254.A OE1 no hydrogen 2.806 N/A GLN 254.A N GLN 254.A OE1 no hydrogen 2.600 N/A GLN 255.A NE2 TRP 274.A OXT no hydrogen 3.112 N/A LYS 256.A N LYS 253.A O no hydrogen 2.720 N/A TYR 257.A N GLN 254.A O no hydrogen 3.169 N/A THR 258.A N GLN 218.A O no hydrogen 2.819 N/A THR 258.A OG1 GLN 218.A O no hydrogen 2.718 N/A CYS 259.A N LEU 272.A O no hydrogen 3.053 N/A CYS 259.A SG THR 216.A O no hydrogen 3.252 N/A CYS 259.A SG HIS 260.A O no hydrogen 3.773 N/A HIS 260.A N THR 216.A O no hydrogen 2.897 N/A VAL 261.A N LEU 270.A O no hydrogen 2.623 N/A GLU 262.A N THR 214.A O no hydrogen 3.018 N/A HIS 263.A NE2 ASP 183.A O no hydrogen 2.766 N/A HIS 263.A NE2 TYR 209.A O no hydrogen 2.891 N/A LEU 266.A N HIS 263.A O no hydrogen 2.907 N/A LEU 270.A N VAL 261.A O no hydrogen 2.805 N/A LEU 272.A N CYS 259.A O no hydrogen 2.917 N/A