Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2wdu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 4.A N THR 58.A O no hydrogen 3.114 N/A HIS 4.A NE2 GLU 31.A OE1 no hydrogen 2.973 N/A LYS 6.A N ASP 56.A O no hydrogen 2.872 N/A LEU 7.A N GLU 31.A O no hydrogen 2.872 N/A TRP 8.A N LEU 54.A O no hydrogen 2.699 N/A TRP 8.A NE1 ASP 56.A OD2 no hydrogen 2.773 N/A TYR 9.A N TYR 33.A O no hydrogen 2.990 N/A GLN 11.A NE2 GLN 34.A O no hydrogen 3.412 N/A ARG 13.A N PHE 210.A OXT no hydrogen 2.729 N/A ARG 13.A NE THR 208.A OG1 no hydrogen 2.873 N/A ARG 13.A NH1 GLU 171.A OE1 no hydrogen 2.867 N/A ARG 13.A NH1 THR 208.A O no hydrogen 2.977 N/A ARG 13.A NH2 GLU 171.A OE1 no hydrogen 3.014 N/A GLY 14.A N PHE 210.A O no hydrogen 2.712 N/A ARG 15.A N TYR 9.A OH no hydrogen 3.068 N/A ARG 15.A NH1 GLU 102.A OE1 no hydrogen 3.006 N/A ARG 15.A NH1 GLU 102.A OE2 no hydrogen 3.318 N/A ARG 15.A NH2 GLU 102.A OE2 no hydrogen 2.763 N/A GLU 17.A N ARG 13.A O no hydrogen 2.990 N/A ILE 19.A N ALA 16.A O no hydrogen 2.878 N/A ARG 20.A N ALA 16.A O no hydrogen 3.233 N/A ARG 20.A NE ASP 32.A OD1 no hydrogen 2.826 N/A ARG 20.A NH1 PHE 10.A O no hydrogen 3.544 N/A ARG 20.A NH1 PHE 12.A O no hydrogen 3.442 N/A ARG 20.A NH2 PHE 12.A O no hydrogen 2.809 N/A ARG 20.A NH2 GLU 17.A OE1 no hydrogen 2.856 N/A LEU 21.A N GLU 17.A O no hydrogen 2.812 N/A LEU 22.A N PRO 18.A O no hydrogen 2.886 N/A LEU 23.A N ILE 19.A O no hydrogen 2.970 N/A THR 24.A N ARG 20.A O no hydrogen 2.965 N/A THR 24.A OG1 ARG 20.A O no hydrogen 2.726 N/A CYS 25.A N LEU 21.A O no hydrogen 2.780 N/A ALA 26.A N LEU 22.A O no hydrogen 2.920 N/A GLY 27.A N THR 24.A O no hydrogen 3.079 N/A VAL 28.A N LEU 23.A O no hydrogen 2.951 N/A GLU 31.A N PHE 5.A O no hydrogen 2.770 N/A TYR 33.A N LEU 7.A O no hydrogen 2.860 N/A GLN 34.A NE2 ASP 32.A OD1 no hydrogen 3.478 N/A GLN 34.A NE2 ASP 32.A OD2 no hydrogen 2.741 N/A PHE 35.A N TYR 9.A O no hydrogen 3.003 N/A THR 36.A N GLN 39.A OE1 no hydrogen 2.771 N/A GLN 39.A N THR 36.A O no hydrogen 3.117 N/A GLN 39.A N THR 36.A OG1 no hydrogen 2.978 N/A TRP 40.A N THR 36.A O no hydrogen 3.112 N/A THR 42.A N GLN 39.A O no hydrogen 3.190 N/A THR 42.A OG1 GLN 39.A O no hydrogen 3.205 N/A ILE 43.A N TRP 40.A O no hydrogen 2.917 N/A LYS 44.A N TRP 40.A O no hydrogen 2.853 N/A LYS 44.A NZ GLY 50.A O no hydrogen 2.729 N/A THR 46.A N ILE 43.A O no hydrogen 2.918 N/A THR 46.A OG1 ILE 43.A O no hydrogen 2.667 N/A LEU 47.A N LYS 44.A O no hydrogen 3.187 N/A GLY 50.A N LEU 47.A O no hydrogen 2.955 N/A LEU 54.A N TRP 8.A O no hydrogen 3.179 N/A LEU 55.A N TYR 67.A O no hydrogen 2.934 N/A ASP 56.A N LYS 6.A O no hydrogen 2.727 N/A VAL 57.A N ARG 65.A O no hydrogen 2.867 N/A THR 58.A N HIS 4.A O no hydrogen 2.879 N/A GLY 59.A N LYS 63.A O no hydrogen 2.845 N/A GLY 62.A N GLY 59.A O no hydrogen 3.000 N/A LYS 63.A N ASP 61.A OD2 no hydrogen 3.070 N/A ARG 65.A N VAL 57.A O no hydrogen 2.922 N/A ARG 65.A NH1 ASP 61.A OD1 no hydrogen 3.519 N/A ARG 65.A NH1 ASP 61.A OD2 no hydrogen 3.441 N/A ARG 65.A NH2 ASP 61.A OD1 no hydrogen 3.225 N/A ARG 66.A NE ASP 56.A OD1 no hydrogen 2.663 N/A ARG 66.A NE ASP 56.A OD2 no hydrogen 3.398 N/A ARG 66.A NH2 ASP 56.A OD1 no hydrogen 3.543 N/A ARG 66.A NH2 ASP 56.A OD2 no hydrogen 2.925 N/A TYR 67.A N LEU 55.A O no hydrogen 2.784 N/A GLN 68.A NE2 PRO 48.A O no hydrogen 2.777 N/A ILE 73.A N GLU 69.A O no hydrogen 2.868 N/A ALA 74.A N SER 70.A O no hydrogen 2.853 N/A ARG 75.A N MET 71.A O no hydrogen 3.227 N/A ARG 75.A NE GLU 95.A OE1 no hydrogen 3.433 N/A ARG 75.A NE GLU 95.A OE2 no hydrogen 2.794 N/A ARG 75.A NH1 GLU 95.A OE1 no hydrogen 2.857 N/A ARG 75.A NH2 MET 71.A O no hydrogen 3.063 N/A LEU 76.A N ALA 72.A O no hydrogen 3.057 N/A LEU 77.A N ILE 73.A O no hydrogen 3.032 N/A ALA 78.A N ALA 74.A O no hydrogen 2.813 N/A ARG 79.A N ARG 75.A O no hydrogen 2.842 N/A GLN 80.A N LEU 76.A O no hydrogen 2.972 N/A PHE 81.A N LEU 77.A O no hydrogen 2.786 N/A LYS 82.A N ARG 79.A O no hydrogen 3.186 N/A MET 83.A N ALA 78.A O no hydrogen 2.738 N/A GLU 86.A N GLU 90.A OE1 no hydrogen 2.775 N/A GLU 90.A N THR 87.A OG1 no hydrogen 2.897 N/A TYR 91.A N THR 87.A O no hydrogen 2.926 N/A TYR 92.A N ASP 88.A O no hydrogen 2.890 N/A LEU 93.A N GLU 89.A O no hydrogen 2.932 N/A ILE 94.A N GLU 90.A O no hydrogen 2.961 N/A GLU 95.A N TYR 91.A O no hydrogen 2.902 N/A ARG 96.A N TYR 92.A O no hydrogen 2.719 N/A ARG 96.A NH2 SER 144.A OG.A no hydrogen 2.985 N/A ILE 97.A N LEU 93.A O no hydrogen 3.138 N/A ILE 98.A N ILE 94.A O no hydrogen 2.999 N/A GLY 99.A N GLU 95.A O no hydrogen 2.952 N/A GLU 100.A N ARG 96.A O no hydrogen 3.114 N/A CYS 101.A N ILE 97.A O no hydrogen 2.852 N/A CYS 101.A SG ILE 97.A O no hydrogen 3.293 N/A GLU 102.A N ILE 98.A O no hydrogen 2.704 N/A ASP 103.A N GLY 99.A O no hydrogen 3.283 N/A LEU 104.A N GLU 100.A O no hydrogen 3.190 N/A TYR 105.A N CYS 101.A O no hydrogen 2.763 N/A ARG 106.A N GLU 102.A O no hydrogen 3.031 N/A GLU 107.A N ASP 103.A O no hydrogen 3.070 N/A VAL 108.A N LEU 104.A O no hydrogen 2.996 N/A TYR 109.A N TYR 105.A O no hydrogen 2.901 N/A THR 110.A N ARG 106.A O no hydrogen 3.038 N/A THR 110.A OG1 ARG 106.A O no hydrogen 2.925 N/A ILE 111.A N GLU 107.A O no hydrogen 3.271 N/A PHE 112.A N VAL 108.A O no hydrogen 2.890 N/A ARG 113.A N TYR 109.A O no hydrogen 2.924 N/A THR 114.A N ILE 111.A O no hydrogen 2.829 N/A THR 114.A OG1 THR 110.A O no hydrogen 2.666 N/A THR 114.A OG1 ILE 111.A O no hydrogen 3.386 N/A GLU 118.A N PRO 115.A O no hydrogen 3.065 N/A LYS 119.A NZ ILE 111.A O no hydrogen 2.727 N/A LYS 119.A NZ PHE 112.A O no hydrogen 2.696 N/A LYS 119.A NZ THR 114.A O no hydrogen 2.508 N/A LYS 122.A NZ THR 114.A OG1 no hydrogen 2.914 N/A ILE 123.A N LYS 119.A O no hydrogen 2.912 N/A LYS 124.A N GLU 120.A O no hydrogen 2.896 N/A GLU 125.A N ALA 121.A O no hydrogen 3.081 N/A PHE 126.A N LYS 122.A O no hydrogen 2.953 N/A LYS 127.A N ILE 123.A O no hydrogen 2.855 N/A GLU 128.A N LYS 124.A O no hydrogen 3.043 N/A ASN 129.A N GLU 125.A O no hydrogen 3.015 N/A ASN 130.A ND2 GLU 107.A OE2 no hydrogen 2.687 N/A GLY 131.A N PHE 126.A O no hydrogen 2.873 N/A THR 133.A N ASN 129.A O no hydrogen 3.446 N/A THR 133.A OG1.A ASN 130.A O no hydrogen 2.591 N/A THR 133.A OG1.B ASN 129.A O no hydrogen 3.054 N/A LEU 134.A N ASN 130.A O no hydrogen 2.933 N/A LEU 135.A N GLY 131.A O no hydrogen 2.827 N/A LYS 136.A N PRO 132.A O no hydrogen 2.806 N/A LYS 136.A NZ GLU 140.A OE2 no hydrogen 2.516 N/A LEU 137.A N THR 133.A O no hydrogen 3.290 N/A VAL 138.A N LEU 134.A O no hydrogen 2.873 N/A SER 139.A N LEU 135.A O no hydrogen 2.818 N/A SER 139.A OG.B LEU 135.A O no hydrogen 2.739 N/A GLU 140.A N LYS 136.A O no hydrogen 2.829 N/A SER 141.A N LEU 137.A O no hydrogen 2.795 N/A SER 141.A OG GLU 100.A OE1 no hydrogen 2.964 N/A SER 141.A OG GLU 100.A OE2 no hydrogen 3.271 N/A SER 141.A OG LEU 137.A O no hydrogen 3.066 N/A LEU 142.A N VAL 138.A O no hydrogen 2.910 N/A GLU 143.A N SER 139.A O no hydrogen 2.767 N/A SER 144.A N GLU 140.A O no hydrogen 2.942 N/A SER 144.A OG.A SER 141.A O no hydrogen 2.661 N/A SER 144.A OG.B GLU 140.A O no hydrogen 3.046 N/A SER 145.A N LEU 142.A O no hydrogen 3.220 N/A SER 145.A OG SER 141.A O no hydrogen 3.543 N/A SER 145.A OG LEU 142.A O no hydrogen 3.091 N/A SER 145.A OG HIS 149.A O no hydrogen 2.765 N/A SER 145.A OG VAL 150.A O no hydrogen 3.161 N/A GLY 146.A N GLU 143.A O no hydrogen 3.083 N/A GLY 147.A N LEU 142.A O no hydrogen 2.919 N/A VAL 150.A N ASP 159.A OD1 no hydrogen 2.839 N/A ARG 154.A NH1 GLU 86.A OE1 no hydrogen 2.705 N/A ARG 154.A NH2 LYS 82.A O no hydrogen 2.644 N/A THR 156.A N ASP 159.A OD2 no hydrogen 3.222 N/A LEU 157.A N MET 83.A O no hydrogen 2.878 N/A ASP 159.A N THR 156.A OG1 no hydrogen 3.346 N/A LEU 160.A N THR 156.A O no hydrogen 3.133 N/A PHE 161.A N LEU 157.A O no hydrogen 2.865 N/A LEU 162.A N GLY 158.A O no hydrogen 3.027 N/A PHE 163.A N ASP 159.A O no hydrogen 2.882 N/A THR 164.A N LEU 160.A O no hydrogen 3.012 N/A THR 164.A OG1 PHE 161.A O no hydrogen 3.195 N/A THR 165.A N PHE 161.A O no hydrogen 3.066 N/A THR 165.A OG1 PHE 161.A O no hydrogen 2.728 N/A LEU 166.A N LEU 162.A O no hydrogen 2.934 N/A THR 167.A N PHE 163.A O no hydrogen 2.961 N/A THR 167.A OG1 PHE 163.A O no hydrogen 3.054 N/A THR 167.A OG1 HIS 188.A NE2 no hydrogen 2.716 N/A HIS 168.A N THR 164.A O no hydrogen 3.141 N/A HIS 168.A NE2 PHE 210.A O no hydrogen 2.983 N/A VAL 169.A N THR 165.A O no hydrogen 2.983 N/A MET 170.A N LEU 166.A O no hydrogen 2.824 N/A GLU 171.A N THR 167.A O no hydrogen 3.001 N/A THR 172.A N HIS 168.A O no hydrogen 2.964 N/A THR 172.A N VAL 169.A O no hydrogen 3.263 N/A THR 172.A OG1 HIS 168.A O no hydrogen 2.841 N/A VAL 173.A N VAL 169.A O no hydrogen 2.833 N/A PHE 176.A N VAL 173.A O no hydrogen 3.243 N/A GLU 178.A N GLU 178.A OE1 no hydrogen 2.800 N/A GLN 179.A N GLY 175.A O no hydrogen 2.749 N/A LYS 180.A N PHE 176.A O no hydrogen 2.840 N/A PHE 181.A N LEU 177.A O no hydrogen 2.933 N/A LYS 183.A NZ GLU 143.A OE1 no hydrogen 2.594 N/A LYS 183.A NZ GLU 143.A OE2 no hydrogen 3.126 N/A LEU 184.A N PHE 181.A O no hydrogen 3.037 N/A HIS 185.A N PHE 181.A O no hydrogen 3.099 N/A GLU 186.A N PRO 182.A O no hydrogen 2.828 N/A PHE 187.A N LYS 183.A O no hydrogen 2.946 N/A HIS 188.A N LEU 184.A O no hydrogen 3.006 N/A HIS 188.A NE2 THR 167.A OG1 no hydrogen 2.716 N/A LYS 189.A N HIS 185.A O no hydrogen 2.909 N/A SER 190.A N GLU 186.A O no hydrogen 2.889 N/A SER 190.A N PHE 187.A O no hydrogen 3.250 N/A SER 190.A OG GLU 186.A O no hydrogen 3.073 N/A SER 190.A OG PHE 187.A O no hydrogen 3.386 N/A LEU 191.A N PHE 187.A O no hydrogen 2.943 N/A THR 193.A N SER 190.A O no hydrogen 2.867 N/A THR 193.A OG1 SER 190.A O no hydrogen 2.676 N/A SER 194.A N LEU 191.A O no hydrogen 2.866 N/A SER 194.A OG LEU 191.A O no hydrogen 2.998 N/A CYS 195.A N PRO 192.A O no hydrogen 3.388 N/A CYS 195.A SG.B SER 194.A O no hydrogen 3.228 N/A ARG 197.A NH2 THR 24.A O no hydrogen 3.496 N/A SER 199.A N CYS 195.A O no hydrogen 3.222 N/A GLU 200.A N SER 196.A O no hydrogen 3.008 N/A TYR 201.A N ARG 197.A O no hydrogen 3.017 N/A TYR 201.A OH GLU 17.A OE2 no hydrogen 2.693 N/A LEU 202.A N LEU 198.A O no hydrogen 2.834 N/A LYS 203.A N SER 199.A O no hydrogen 3.218 N/A LYS 204.A N GLU 200.A O no hydrogen 3.289 N/A LYS 204.A N TYR 201.A O no hydrogen 3.290 N/A ARG 205.A N TYR 201.A O no hydrogen 3.007 N/A ARG 205.A NH2 GLU 17.A OE2 no hydrogen 2.775 N/A THR 208.A OG1 PHE 210.A OXT no hydrogen 3.037 N/A