Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ptu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 2.A N SER 25.A OG no hydrogen 2.881 N/A THR 4.A N ARG 23.A O no hydrogen 2.782 N/A GLN 5.A NE2 TYR 85.A O no hydrogen 2.881 N/A SER 6.A N SER 21.A O no hydrogen 3.038 N/A LEU 10.A N LYS 104.A O no hydrogen 2.761 N/A SER 11.A OG GLU 106.A OE2 no hydrogen 2.419 N/A LEU 12.A N GLU 106.A O no hydrogen 2.963 N/A SER 13.A N GLU 16.A OE2 no hydrogen 2.862 N/A GLY 15.A N LEU 77.A O no hydrogen 2.768 N/A GLU 16.A N SER 13.A O no hydrogen 2.843 N/A GLY 18.A N ILE 74.A O no hydrogen 2.966 N/A LEU 20.A N LEU 72.A O no hydrogen 2.796 N/A SER 21.A N SER 6.A O no hydrogen 2.903 N/A CYS 22.A N PHE 70.A O no hydrogen 2.921 N/A ARG 23.A N THR 4.A O no hydrogen 2.852 N/A ARG 23.A NE SER 21.A OG.A no hydrogen 3.096 N/A ALA 24.A N THR 68.A O no hydrogen 2.771 N/A SER 25.A N VAL 2.A O no hydrogen 2.847 N/A SER 25.A OG VAL 2.A O no hydrogen 3.505 N/A VAL 28.A N GLY 67.A O no hydrogen 2.879 N/A GLY 29.A N SER 27.A OG no hydrogen 3.356 N/A TYR 31.A N VAL 28.A O no hydrogen 2.939 N/A LEU 32.A N THR 30.A O no hydrogen 2.911 N/A ALA 33.A N GLN 88.A O no hydrogen 2.854 N/A TRP 34.A N ILE 47.A O no hydrogen 2.931 N/A TYR 35.A N TYR 86.A O no hydrogen 2.812 N/A TYR 35.A OH GLN 88.A OE1 no hydrogen 2.638 N/A GLN 36.A N ARG 44.A O no hydrogen 2.845 N/A GLN 36.A NE2 TYR 85.A OH no hydrogen 2.948 N/A HIS 37.A N VAL 84.A O no hydrogen 2.754 N/A LYS 38.A NZ GLU 80.A O no hydrogen 2.712 N/A GLN 41.A N LYS 38.A O no hydrogen 3.109 N/A ARG 44.A N GLN 36.A O no hydrogen 2.749 N/A ARG 44.A NH1 GLN 36.A OE1 no hydrogen 2.902 N/A LEU 46.A N TRP 34.A O no hydrogen 2.855 N/A ILE 47.A N TRP 34.A O no hydrogen 3.304 N/A TYR 48.A N ARG 52.A O no hydrogen 2.714 N/A ALA 50.A N LEU 32.A O no hydrogen 2.723 N/A SER 51.A N ASP 49.A O no hydrogen 2.863 N/A ARG 52.A N TYR 48.A O no hydrogen 2.877 N/A ARG 52.A NH1 ASP 49.A OD2 no hydrogen 3.480 N/A ARG 52.A NH2 ASP 49.A OD2 no hydrogen 2.718 N/A ARG 53.A NE PHE 61.A O no hydrogen 2.747 N/A ARG 53.A NH2 ALA 59.A O no hydrogen 3.022 N/A ALA 54.A N LEU 46.A O no hydrogen 2.906 N/A ILE 57.A N ALA 54.A O no hydrogen 3.212 N/A ARG 60.A NE ASP 81.A OD2 no hydrogen 2.845 N/A ARG 60.A NH2 ASP 81.A OD1 no hydrogen 2.746 N/A ARG 60.A NH2 ASP 81.A OD2 no hydrogen 3.514 N/A PHE 61.A N PRO 58.A O no hydrogen 3.166 N/A SER 62.A N THR 73.A O no hydrogen 3.037 N/A SER 64.A N THR 71.A O no hydrogen 2.934 N/A SER 64.A OG THR 71.A OG1 no hydrogen 2.273 N/A GLY 67.A N GLY 29.A O no hydrogen 2.798 N/A THR 68.A OG1 ASP 69.A OD1 no hydrogen 3.094 N/A PHE 70.A N CYS 22.A O no hydrogen 2.831 N/A THR 71.A N SER 64.A O no hydrogen 2.960 N/A LEU 72.A N LEU 20.A O no hydrogen 2.862 N/A THR 73.A N SER 62.A O no hydrogen 2.816 N/A ILE 74.A N GLY 18.A O no hydrogen 2.874 N/A SER 75.A N ARG 60.A O no hydrogen 2.930 N/A SER 75.A OG ARG 60.A O no hydrogen 3.348 N/A LEU 77.A N GLU 16.A O no hydrogen 2.955 N/A GLU 78.A N ASP 81.A OD2 no hydrogen 2.893 N/A ASP 81.A N GLU 78.A O no hydrogen 2.829 N/A VAL 82.A N PRO 79.A O no hydrogen 3.369 N/A ALA 83.A N VAL 105.A O no hydrogen 3.419 N/A VAL 84.A N HIS 37.A O no hydrogen 2.945 N/A TYR 85.A N THR 103.A O no hydrogen 2.848 N/A TYR 85.A OH ASP 81.A O no hydrogen 2.620 N/A TYR 86.A N TYR 35.A O no hydrogen 2.918 N/A CYS 87.A N GLN 5.A OE1 no hydrogen 3.171 N/A GLN 88.A N ALA 33.A O no hydrogen 2.862 N/A HIS 89.A N THR 98.A O no hydrogen 2.867 N/A HIS 89.A ND1 TYR 31.A O no hydrogen 2.705 N/A ARG 90.A NH1 PRO 95A.A O no hydrogen 2.948 N/A SER 92.A N ASP 91.A OD1 no hydrogen 2.667 N/A THR 98.A N HIS 89.A O no hydrogen 2.935 N/A GLY 100.A N CYS 87.A O no hydrogen 2.861 N/A GLY 102.A N GLN 5.A OE1 no hydrogen 2.922 N/A THR 103.A N TYR 85.A O no hydrogen 2.920 N/A THR 103.A OG1 PRO 7.A O no hydrogen 2.760 N/A LYS 104.A N ALA 8.A O no hydrogen 2.950 N/A LYS 104.A NZ TYR 174.A OH no hydrogen 3.250 N/A VAL 105.A N ALA 83.A O no hydrogen 2.839 N/A GLU 106.A N LEU 10.A O no hydrogen 2.952 N/A ILE 107.A N GLN 167.A OE1 no hydrogen 2.936 N/A LYS 108.A N LEU 12.A O no hydrogen 2.803 N/A LYS 108.A NZ GLU 16.A OE2 no hydrogen 3.243 N/A ARG 109.A NE THR 110.A O no hydrogen 2.809 N/A ARG 109.A NH1 ASP 171.A O no hydrogen 2.891 N/A ARG 109.A NH2 THR 110.A O no hydrogen 3.400 N/A ALA 112.A N TYR 141.A O no hydrogen 2.872 N/A SER 115.A N ASN 138.A O no hydrogen 3.218 N/A PHE 117.A N LEU 136.A O no hydrogen 2.901 N/A PHE 119.A N VAL 134.A O no hydrogen 2.762 N/A GLN 125.A N SER 122.A OG no hydrogen 2.921 N/A GLN 125.A NE2 THR 130.A OG1 no hydrogen 3.336 N/A GLN 125.A NE2 SER 132.A OG no hydrogen 2.872 N/A LEU 126.A N SER 122.A O no hydrogen 2.993 N/A LYS 127.A N ASP 123.A O no hydrogen 2.789 N/A SER 128.A N GLN 125.A O no hydrogen 2.768 N/A SER 128.A OG GLN 125.A O no hydrogen 2.477 N/A GLY 129.A N LEU 126.A O no hydrogen 3.100 N/A ALA 131.A N LEU 182.A O no hydrogen 2.993 N/A SER 132.A N GLN 125.A OE1 no hydrogen 2.985 N/A VAL 133.A N LEU 180.A O no hydrogen 2.867 N/A VAL 134.A N PHE 119.A O no hydrogen 3.050 N/A CYS 135.A N SER 178.A O no hydrogen 2.824 N/A CYS 135.A SG PHE 117.A O no hydrogen 3.749 N/A LEU 136.A N PHE 117.A O no hydrogen 2.784 N/A LEU 137.A N LEU 176.A O no hydrogen 2.818 N/A ASN 138.A N SER 115.A O no hydrogen 2.820 N/A ASN 139.A N SER 175.A OG no hydrogen 2.974 N/A ASN 139.A ND2 ASP 171.A OD2 no hydrogen 2.789 N/A PHE 140.A N TYR 174.A O no hydrogen 2.801 N/A TYR 141.A N ALA 112.A O no hydrogen 2.921 N/A TYR 141.A OH GLU 106.A OE2 no hydrogen 2.716 N/A LYS 146.A N THR 198.A O no hydrogen 2.884 N/A GLN 148.A N GLU 196.A O no hydrogen 2.859 N/A TRP 149.A NE1 SER 178.A OG no hydrogen 2.864 N/A LYS 150.A N ALA 194.A O no hydrogen 2.890 N/A LYS 150.A NZ GLU 196.A OE1 no hydrogen 3.016 N/A LYS 150.A NZ GLU 196.A OE2 no hydrogen 3.379 N/A VAL 151.A N ALA 154.A O no hydrogen 2.960 N/A ASP 152.A N VAL 192.A O no hydrogen 2.942 N/A ALA 154.A N VAL 151.A O no hydrogen 2.919 N/A GLN 156.A N TRP 149.A O no hydrogen 2.864 N/A GLN 156.A NE2 ALA 154.A O no hydrogen 3.046 N/A ASN 159.A ND2 GLN 156.A OE1 no hydrogen 2.960 N/A GLN 161.A N THR 179.A O no hydrogen 3.032 N/A SER 163.A N SER 177.A O no hydrogen 2.905 N/A THR 165.A N SER 175.A O no hydrogen 2.983 N/A THR 165.A OG1 GLU 166.A O no hydrogen 3.544 N/A THR 165.A OG1 SER 175.A O no hydrogen 3.321 N/A GLN 167.A NE2 ILE 107.A O no hydrogen 2.763 N/A GLN 167.A NE2 SER 172.A O no hydrogen 2.956 N/A ASP 168.A N THR 173.A O no hydrogen 2.837 N/A LYS 170.A N ASP 168.A OD2 no hydrogen 2.808 N/A ASP 171.A N ASP 168.A OD2 no hydrogen 2.871 N/A SER 172.A N ASP 168.A O no hydrogen 2.953 N/A THR 173.A N ASP 171.A OD1 no hydrogen 3.018 N/A THR 173.A OG1 ASP 171.A OD1 no hydrogen 2.674 N/A THR 173.A OG1 ASP 171.A OD2 no hydrogen 3.487 N/A TYR 174.A N PHE 140.A O no hydrogen 2.796 N/A TYR 174.A OH GLU 106.A OE1 no hydrogen 2.515 N/A SER 175.A N THR 165.A OG1 no hydrogen 2.999 N/A LEU 176.A N LEU 137.A O no hydrogen 2.839 N/A SER 177.A N SER 163.A O no hydrogen 2.883 N/A SER 178.A N CYS 135.A O no hydrogen 2.861 N/A THR 179.A N GLN 161.A O no hydrogen 2.900 N/A LEU 180.A N VAL 133.A O no hydrogen 2.828 N/A THR 181.A N ASN 159.A O no hydrogen 2.890 N/A LEU 182.A N ALA 131.A O no hydrogen 2.998 N/A SER 183.A OG ASP 186.A OD2 no hydrogen 2.352 N/A LYS 184.A N GLY 129.A O no hydrogen 3.421 N/A LYS 184.A NZ GLU 188.A OE1 no hydrogen 2.720 N/A ASP 186.A N SER 183.A OG no hydrogen 3.200 N/A TYR 187.A N SER 183.A O no hydrogen 2.936 N/A GLU 188.A N LYS 184.A O no hydrogen 2.978 N/A LYS 189.A N ASP 186.A O no hydrogen 3.028 N/A HIS 190.A N TYR 187.A O no hydrogen 3.487 N/A LYS 191.A N ASP 152.A OD1 no hydrogen 3.280 N/A LYS 191.A N ASP 152.A OD2 no hydrogen 3.274 N/A VAL 192.A N ASP 152.A OD1 no hydrogen 2.836 N/A TYR 193.A N PHE 210.A O no hydrogen 3.051 N/A TYR 193.A OH TYR 187.A O no hydrogen 2.577 N/A ALA 194.A N LYS 150.A O no hydrogen 2.919 N/A CYS 195.A N LYS 208.A O no hydrogen 2.836 N/A GLU 196.A N GLN 148.A O no hydrogen 2.763 N/A VAL 197.A N VAL 206.A O no hydrogen 2.764 N/A THR 198.A N LYS 146.A O no hydrogen 2.734 N/A HIS 199.A NE2 PRO 142.A O no hydrogen 2.904 N/A GLY 201.A N HIS 199.A ND1 no hydrogen 2.899 N/A LEU 202.A N HIS 199.A O no hydrogen 2.786 N/A VAL 206.A N VAL 197.A O no hydrogen 2.959 N/A LYS 208.A N CYS 195.A O no hydrogen 2.974 N/A PHE 210.A N TYR 193.A O no hydrogen 3.059 N/A ARG 212.A N LYS 191.A O no hydrogen 2.789 N/A ARG 212.A NE HIS 190.A O no hydrogen 2.718 N/A ARG 212.A NH2 HIS 190.A O no hydrogen 3.195 N/A