Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4is5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N HIS 138.A O no hydrogen 2.881 N/A VAL 1.A N ASP 190.A OD2 no hydrogen 2.704 N/A VAL 2.A N ASP 185.A O no hydrogen 2.843 N/A THR 5.A N LYS 151.A O no hydrogen 2.947 N/A ALA 7.A N LEU 149.A O no hydrogen 2.848 N/A ASP 8.A N GLU 11.A OE1 no hydrogen 2.827 N/A GLU 11.A N ASP 8.A O no hydrogen 3.026 N/A TRP 14.A NE1 SER 196.A OG no hydrogen 2.963 N/A GLN 15.A N TRP 12.A O no hydrogen 2.913 N/A GLN 15.A NE2 VAL 16.A O no hydrogen 3.045 N/A VAL 16.A N ALA 29.A O no hydrogen 2.899 N/A SER 17.A N PHE 61.A O no hydrogen 3.091 N/A SER 17.A OG HIS 25.A ND1 no hydrogen 2.778 N/A LEU 18.A N CYS 27.A O.A no hydrogen 2.812 N/A LEU 18.A N CYS 27.A O.B no hydrogen 2.788 N/A HIS 19.A N THR 59.A O no hydrogen 2.843 N/A HIS 19.A NE2 GLN 67.A OE1 no hydrogen 2.732 N/A ALA 20.A N GLY 24.A O no hydrogen 3.146 N/A LEU 21.A N GLN 57.A O no hydrogen 2.830 N/A GLN 23.A N ALA 20.A O no hydrogen 2.801 N/A HIS 25.A ND1 SER 17.A OG no hydrogen 2.778 N/A HIS 25.A NE2 GLY 189.A O no hydrogen 2.829 N/A ILE 26.A N LEU 18.A O no hydrogen 2.856 N/A CYS 27.A N.A LEU 18.A O no hydrogen 3.397 N/A CYS 27.A N.B LEU 18.A O no hydrogen 3.362 N/A CYS 27.A SG.A ILE 26.A O no hydrogen 3.177 N/A CYS 27.A SG.B GLY 28.A O no hydrogen 3.354 N/A CYS 27.A SG.B SER 39.A OG no hydrogen 3.267 N/A CYS 27.A SG.B TYR 44.A OH no hydrogen 3.669 N/A CYS 27.A SG.B ALA 191.A O no hydrogen 3.024 N/A GLY 28.A N ALA 191.A O no hydrogen 2.766 N/A ALA 29.A N VAL 16.A O no hydrogen 3.114 N/A SER 30.A N VAL 38.A O no hydrogen 2.834 N/A SER 30.A OG VAL 38.A O no hydrogen 3.551 N/A SER 30.A OG GLN 206.A OE1 no hydrogen 2.702 N/A LEU 31.A N TRP 14.A O no hydrogen 2.922 N/A ILE 32.A N TRP 36.A O no hydrogen 3.005 N/A ASN 35.A N SER 33.A OG no hydrogen 3.230 N/A LEU 37.A N LEU 101.A O no hydrogen 2.843 N/A VAL 38.A N SER 30.A O no hydrogen 2.889 N/A SER 39.A N ALA 99.A O no hydrogen 2.871 N/A SER 39.A OG GLY 28.A O no hydrogen 2.781 N/A SER 39.A OG TYR 44.A OH no hydrogen 2.866 N/A ALA 40.A N SER 39.A OG no hydrogen 2.836 N/A HIS 42.A N ASP 97.A OD1 no hydrogen 2.862 N/A HIS 42.A ND1 ASP 97.A OD2 no hydrogen 2.681 N/A CYS 43.A N ALA 40.A O no hydrogen 3.183 N/A TYR 44.A N ALA 41.A O no hydrogen 3.026 N/A TYR 44.A OH SER 39.A OG no hydrogen 2.866 N/A THR 56.A N ASP 54I.A OD1 no hydrogen 2.930 N/A THR 56.A OG1 ASP 54I.A OD1 no hydrogen 2.831 N/A THR 56.A OG1 ASP 54I.A OD2 no hydrogen 3.096 N/A GLN 57.A N ASP 54I.A O no hydrogen 3.028 N/A GLN 57.A NE2 ASP 54I.A OD2 no hydrogen 3.078 N/A TRP 58.A N PRO 55.A O no hydrogen 3.286 N/A TRP 58.A NE1 TYR 52G.A O no hydrogen 2.819 N/A THR 59.A N HIS 19.A O no hydrogen 2.834 N/A ALA 60.A N ARG 78.A O no hydrogen 2.816 N/A PHE 61.A N SER 17.A O no hydrogen 2.849 N/A LEU 62.A N GLN 76.A O no hydrogen 2.804 N/A GLN 67.A N LEU 147.A O no hydrogen 2.864 N/A GLN 67.A NE2 SER 17.A OG no hydrogen 3.032 N/A SER 68.A N ASP 66.A OD1 no hydrogen 2.875 N/A SER 68.A OG ASP 66.A OD1 no hydrogen 2.672 N/A SER 68.A OG ASP 66.A OD2 no hydrogen 3.374 N/A GLN 69.A N ASP 66.A O no hydrogen 2.894 N/A ARG 70.A NH1 GLN 67.A O no hydrogen 2.759 N/A VAL 75.A N ALA 72A.A O no hydrogen 3.100 N/A GLN 76.A N LEU 62.A O no hydrogen 2.793 N/A GLN 76.A NE2 GLU 108.A O no hydrogen 2.770 N/A ARG 78.A N ALA 60.A O no hydrogen 2.869 N/A ARG 78.A NE LYS 105.A O.A no hydrogen 3.213 N/A ARG 78.A NE LYS 105.A O.B no hydrogen 3.223 N/A ARG 78.A NE PRO 106.A O no hydrogen 3.070 N/A ARG 78.A NH1 GLU 77.A O no hydrogen 2.979 N/A ARG 78.A NH2 PRO 106.A O no hydrogen 2.899 N/A ARG 79.A NH1.A GLU 77.A OE1 no hydrogen 2.821 N/A LYS 81.A N GLU 102.A O no hydrogen 2.805 N/A ARG 82.A NE GLU 102.A OE2 no hydrogen 2.967 N/A ARG 82.A NH2 GLU 102.A OE2 no hydrogen 2.981 N/A ILE 84.A N LEU 100.A O no hydrogen 2.743 N/A HIS 86.A N ILE 98.A O no hydrogen 3.034 N/A PHE 88.A N HIS 86.A ND1 no hydrogen 2.984 N/A PHE 89.A N HIS 86.A O no hydrogen 2.986 N/A ASN 90.A N ASP 95.A O no hydrogen 3.160 N/A PHE 92.A N ASN 90.A OD1 no hydrogen 2.859 N/A THR 93.A N ASN 90.A OD1 no hydrogen 3.160 N/A PHE 94.A N ASN 90.A O no hydrogen 2.709 N/A ASP 95.A N THR 93.A OG1 no hydrogen 3.149 N/A ILE 98.A N TYR 96.A O no hydrogen 2.953 N/A ALA 99.A N SER 39.A O no hydrogen 2.892 N/A LEU 100.A N ILE 84.A O no hydrogen 2.797 N/A LEU 101.A N LEU 37.A O no hydrogen 2.842 N/A GLU 102.A N ARG 82.A O no hydrogen 2.981 N/A LEU 103.A N ASN 35.A O no hydrogen 2.820 N/A GLU 104.A N ARG 79.A O.A no hydrogen 2.811 N/A GLU 104.A N ARG 79.A O.B no hydrogen 2.786 N/A LYS 105.A NZ.A PRO 106.A O no hydrogen 2.611 N/A LYS 105.A NZ.B GLU 104.A O no hydrogen 3.336 N/A LYS 105.A NZ.B GLU 104.A OE2 no hydrogen 2.649 N/A ALA 107.A N PRO 34.A O no hydrogen 2.826 N/A GLU 108.A N GLN 76.A OE1 no hydrogen 2.854 N/A SER 110.A N VAL 113.A O no hydrogen 2.893 N/A MET 112.A N.A SER 110.A OG no hydrogen 3.055 N/A MET 112.A N.B SER 110.A OG no hydrogen 3.070 N/A VAL 113.A N SER 110.A O no hydrogen 3.299 N/A ARG 114.A N PRO 13.A O no hydrogen 3.043 N/A ILE 116.A N LEU 31.A O no hydrogen 2.894 N/A CYS 117.A N ILE 204.A O no hydrogen 3.159 N/A HIS 123.A N ASP 120.A O no hydrogen 2.980 N/A GLY 128.A N VAL 156.A O no hydrogen 2.796 N/A LYS 129.A N PRO 126.A O no hydrogen 3.070 N/A LYS 129.A NZ ALA 130.A O no hydrogen 3.268 N/A LYS 129.A NZ SER 197.A OG no hydrogen 2.828 N/A LYS 129.A NZ VAL 198.A O no hydrogen 2.760 N/A ILE 131.A N.A ILE 154.A O no hydrogen 2.805 N/A ILE 131.A N.B ILE 154.A O no hydrogen 2.847 N/A TRP 132.A N SER 196.A O no hydrogen 2.843 N/A VAL 133.A N GLY 152.A O no hydrogen 2.872 N/A THR 134.A OG1 GLN 15.A OE1 no hydrogen 2.665 N/A GLY 135.A N GLN 150.A O no hydrogen 3.047 N/A TRP 136.A NE1 HIS 65.A O no hydrogen 3.027 N/A GLY 137.A N ASP 190.A OD1 no hydrogen 2.808 N/A HIS 138.A N GLN 188.A O.A no hydrogen 2.729 N/A HIS 138.A N GLN 188.A O.B no hydrogen 2.774 N/A THR 139.A N THR 144.A O no hydrogen 3.134 N/A THR 139.A OG1 THR 144.A O no hydrogen 3.515 N/A GLN 140.A NE2 THR 139.A O no hydrogen 3.466 N/A GLY 143.A N GLN 140.A O no hydrogen 2.746 N/A ALA 146.A N GLY 137.A O no hydrogen 3.324 N/A LEU 149.A N HIS 65.A O no hydrogen 2.972 N/A GLN 150.A N GLY 135.A O no hydrogen 3.019 N/A GLN 150.A NE2 ASP 6.A OD1 no hydrogen 2.904 N/A GLN 150.A NE2 ILE 148.A O.A no hydrogen 2.963 N/A GLN 150.A NE2 ILE 148.A O.B no hydrogen 2.953 N/A LYS 151.A N THR 5.A O no hydrogen 2.897 N/A LYS 151.A NZ GLU 11.A OE1 no hydrogen 2.979 N/A LYS 151.A NZ GLU 11.A OE2 no hydrogen 2.861 N/A GLY 152.A N VAL 133.A O no hydrogen 2.879 N/A ILE 154.A N ILE 131.A O.A no hydrogen 2.843 N/A ILE 154.A N ILE 131.A O.B no hydrogen 2.851 N/A ARG 155.A N GLY 178.A O no hydrogen 3.197 N/A ARG 155.A NH1 GLY 128.A O no hydrogen 2.881 N/A VAL 156.A N LYS 129.A O no hydrogen 3.006 N/A ILE 157.A N CYS 176.A O no hydrogen 2.955 N/A GLN 159.A NE2 MET 174.A O no hydrogen 3.279 N/A CYS 162.A N GLN 158.A O no hydrogen 2.990 N/A GLU 163.A N GLN 159.A O no hydrogen 2.848 N/A ASN 164.A N THR 160.A O no hydrogen 3.068 N/A LEU 165.A N THR 161.A O no hydrogen 2.950 N/A LEU 166.A N CYS 162.A O no hydrogen 3.153 N/A GLN 169.A N LEU 166.A O no hydrogen 3.240 N/A GLN 169.A NE2 PRO 167.A O no hydrogen 3.164 N/A THR 171.A OG1 ASP 95.A OD1 no hydrogen 2.756 N/A ARG 173.A N THR 171.A OG1 no hydrogen 3.153 N/A ARG 173.A NE ASP 95.A OD1 no hydrogen 2.945 N/A ARG 173.A NH2 ASP 95.A OD1 no hydrogen 3.534 N/A ARG 173.A NH2 ASP 95.A OD2 no hydrogen 2.828 N/A MET 174.A N THR 171.A O no hydrogen 2.915 N/A MET 175.A N TYR 225.A O no hydrogen 2.815 N/A VAL 177.A N GLY 223.A O no hydrogen 3.057 N/A GLY 178.A N ARG 155.A O no hydrogen 2.926 N/A GLY 183.A N ALA 217.A O no hydrogen 2.965 N/A ASP 185.A N VAL 2.A O no hydrogen 3.098 N/A SER 186.A OG TYR 225.A OH no hydrogen 3.232 N/A CYS 187.A N ASP 190.A OD2 no hydrogen 2.841 N/A CYS 187.A SG GLN 188.A OE1.B no hydrogen 3.350 N/A ASP 190.A N CYS 187.A O no hydrogen 2.896 N/A GLY 192.A N VAL 210.A O no hydrogen 2.855 N/A GLY 193.A N ASP 190.A O no hydrogen 3.117 N/A LEU 195.A N GLY 208.A O no hydrogen 2.922 N/A SER 196.A N TRP 132.A O no hydrogen 2.831 N/A SER 197.A N PHE 205.A O no hydrogen 2.834 N/A SER 197.A OG GLU 199.A OE2 no hydrogen 2.662 N/A GLU 199.A N ARG 203.A O no hydrogen 2.866 N/A GLY 202.A N GLU 199.A O no hydrogen 2.907 N/A ARG 203.A N ASP 201A.A OD1 no hydrogen 3.199 N/A PHE 205.A N SER 197.A O no hydrogen 2.953 N/A GLN 206.A N CYS 117.A O no hydrogen 2.835 N/A GLN 206.A NE2 GLY 208.A O no hydrogen 2.947 N/A ALA 207.A N LEU 195.A O no hydrogen 2.917 N/A VAL 209.A N THR 226.A O no hydrogen 2.850 N/A VAL 210.A N GLY 193.A O no hydrogen 2.941 N/A SER 211.A N VAL 224.A O no hydrogen 3.129 N/A SER 211.A OG ASP 97.A OD2 no hydrogen 2.668 N/A TRP 212.A N VAL 224.A O no hydrogen 3.096 N/A CYS 216.A SG SER 186.A O no hydrogen 3.685 N/A CYS 216.A SG GLN 188.A OE1.B no hydrogen 3.341 N/A ALA 217.A N ASP 185.A OD2 no hydrogen 2.785 N/A ASN 220.A N LEU 180.A O no hydrogen 2.704 N/A LYS 221.A N GLN 218A.A O no hydrogen 3.125 N/A LYS 221.A NZ ASP 214.A OD2 no hydrogen 2.845 N/A VAL 224.A N TRP 212.A O no hydrogen 2.777 N/A TYR 225.A N MET 175.A O no hydrogen 2.850 N/A THR 226.A N VAL 209.A O no hydrogen 2.849 N/A THR 226.A OG1 ASP 97.A O no hydrogen 2.772 N/A ARG 227.A N ARG 173.A O no hydrogen 2.812 N/A ARG 227.A NE MET 174.A O no hydrogen 2.891 N/A PHE 231.A N LEU 228.A O no hydrogen 2.870 N/A ARG 232.A N PRO 229.A O no hydrogen 3.023 N/A ARG 232.A NH1 ARG 232.A O no hydrogen 3.101 N/A ARG 232.A NH1 VAL 241.A OXT no hydrogen 2.795 N/A ARG 232.A NH2 VAL 241.A O no hydrogen 2.831 N/A ARG 232.A NH2 VAL 241.A OXT no hydrogen 3.399 N/A ILE 235.A N PHE 231.A O no hydrogen 2.873 N/A LYS 236.A N ARG 232.A O no hydrogen 2.985 N/A GLU 237.A N.A ASP 233.A O no hydrogen 2.793 N/A GLU 237.A N.B ASP 233.A O no hydrogen 2.783 N/A ASN 238.A N TRP 234.A O no hydrogen 3.073 N/A ASN 238.A ND2 TRP 234.A O no hydrogen 2.927 N/A THR 239.A N ILE 235.A O no hydrogen 2.942 N/A THR 239.A OG1 ILE 235.A O no hydrogen 2.779 N/A GLY 240.A N LYS 236.A O no hydrogen 2.844 N/A VAL 241.A N THR 239.A OG1 no hydrogen 2.976 N/A ALA 72A.A N GLN 69.A O no hydrogen 3.256 N/A GLY 182A.A N PHE 179A.A O no hydrogen 2.923 N/A GLN 218A.A NE2 CYS 216.A O no hydrogen 2.893 N/A ASP 47B.A N PHE 50E.A O no hydrogen 3.021 N/A ARG 48C.A NE.B ARG 48C.A O.B no hydrogen 2.767 N/A GLY 49D.A N ASP 47B.A OD1 no hydrogen 3.051 N/A PHE 50E.A N ASP 47B.A O no hydrogen 3.259 N/A TYR 52G.A N PHE 50E.A O no hydrogen 3.104 N/A SER 53H.A N ASP 46A.A OD1 no hydrogen 2.932 N/A SER 53H.A OG ASP 46A.A OD1 no hydrogen 2.645 N/A SER 53H.A OG ASP 46A.A OD2 no hydrogen 3.399 N/A ASP 54I.A N ARG 51F.A O no hydrogen 3.041 N/A