Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ot8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 2.A N PRO 1.A O no hydrogen 2.251 N/A ASP 5.A N PHE 2.A O no hydrogen 2.841 N/A ASP 7.A N VAL 22.A O no hydrogen 2.752 N/A VAL 9.A N LEU 20.A O no hydrogen 2.908 N/A THR 11.A OG1 GLU 17.A OE2 no hydrogen 2.297 N/A LEU 12.A N VAL 18.A O no hydrogen 2.543 N/A GLU 17.A N ILE 34.A O no hydrogen 3.364 N/A VAL 18.A N GLY 13.A O no hydrogen 3.183 N/A GLN 19.A N VAL 32.A O no hydrogen 2.925 N/A LEU 20.A N GLN 10.A O no hydrogen 2.701 N/A ALA 21.A N VAL 30.A O no hydrogen 2.808 N/A VAL 22.A N ASP 7.A O no hydrogen 2.834 N/A ASN 23.A N GLU 28.A O no hydrogen 2.916 N/A ASN 23.A ND2 VAL 3.A O no hydrogen 2.391 N/A ARG 24.A N ASP 5.A O no hydrogen 3.005 N/A VAL 25.A N ASN 23.A OD1 no hydrogen 2.910 N/A THR 26.A N ASN 23.A OD1 no hydrogen 2.859 N/A THR 26.A OG1 GLU 28.A OE1 no hydrogen 2.678 N/A GLU 27.A N ASN 23.A O no hydrogen 2.818 N/A GLU 28.A N THR 26.A OG1 no hydrogen 3.260 N/A VAL 30.A N ALA 21.A O no hydrogen 2.947 N/A ALA 31.A N LEU 67.A O no hydrogen 2.803 N/A VAL 32.A N GLN 19.A O no hydrogen 2.707 N/A LYS 33.A N LEU 65.A O no hydrogen 2.846 N/A LYS 33.A NZ GLU 42.A OE1 no hydrogen 2.930 N/A LYS 33.A NZ GLU 42.A OE2 no hydrogen 2.677 N/A LYS 33.A NZ ASP 131.A OD1 no hydrogen 3.477 N/A LYS 33.A NZ ASP 131.A OD2 no hydrogen 3.156 N/A ILE 34.A N GLU 17.A O no hydrogen 2.789 N/A VAL 35.A N GLN 63.A O no hydrogen 3.032 N/A MET 37.A N VAL 35.A O no hydrogen 3.478 N/A LYS 41.A NZ THR 136.A OG1 no hydrogen 2.801 N/A GLU 42.A N ASN 38.A O no hydrogen 3.035 N/A ILE 43.A N ILE 39.A O no hydrogen 2.993 N/A CYS 44.A N.A LYS 40.A O no hydrogen 2.894 N/A CYS 44.A N.B LYS 40.A O no hydrogen 2.887 N/A CYS 44.A SG.B LYS 40.A O no hydrogen 3.053 N/A ILE 45.A N LYS 41.A O no hydrogen 2.820 N/A ASN 46.A N GLU 42.A O no hydrogen 2.862 N/A ASN 46.A ND2 GLU 42.A O no hydrogen 2.936 N/A LYS 47.A N ILE 43.A O no hydrogen 2.979 N/A LYS 47.A N CYS 44.A O.A no hydrogen 3.149 N/A MET 48.A N ILE 45.A O no hydrogen 2.991 N/A LEU 49.A N ASN 46.A O no hydrogen 3.240 N/A ASN 50.A N TYR 103.A OH no hydrogen 2.901 N/A GLU 52.A N GLU 52.A OE1 no hydrogen 2.681 N/A ASN 53.A N HIS 51.A ND1 no hydrogen 2.863 N/A ASN 53.A ND2 LEU 127.A O no hydrogen 2.916 N/A VAL 54.A N HIS 51.A O no hydrogen 3.107 N/A VAL 55.A N ILE 129.A O no hydrogen 2.930 N/A LYS 56.A N GLU 68.A OE1 no hydrogen 2.904 N/A TYR 58.A N PHE 66.A O no hydrogen 2.826 N/A GLY 59.A N PHE 66.A O no hydrogen 3.449 N/A HIS 60.A ND1 GLN 63.A OE1 no hydrogen 2.950 N/A ARG 61.A N TYR 64.A O no hydrogen 3.067 N/A GLN 63.A N VAL 35.A O no hydrogen 2.723 N/A TYR 64.A N ARG 61.A O no hydrogen 3.152 N/A LEU 65.A N LYS 33.A O no hydrogen 2.935 N/A PHE 66.A N GLY 59.A O no hydrogen 2.744 N/A LEU 67.A N ALA 31.A O no hydrogen 2.835 N/A GLU 68.A N LYS 56.A O no hydrogen 2.853 N/A CYS 70.A SG GLU 68.A O no hydrogen 4.004 N/A GLY 72.A N LEU 121.A O no hydrogen 2.713 N/A GLY 73.A N CYS 70.A O no hydrogen 3.303 N/A LEU 75.A N LEU 119.A O no hydrogen 2.785 N/A PHE 76.A N PRO 116.A O no hydrogen 3.188 N/A ASP 77.A N GLU 74.A O no hydrogen 2.944 N/A ARG 78.A N LEU 75.A O no hydrogen 2.849 N/A ARG 78.A NH1 ASP 125.A OD1 no hydrogen 3.255 N/A ARG 78.A NH1 ASP 125.A OD2 no hydrogen 2.826 N/A ARG 78.A NH2 GLY 72.A O no hydrogen 2.997 N/A ARG 78.A NH2 ASP 125.A OD1 no hydrogen 2.884 N/A ILE 79.A N PHE 76.A O no hydrogen 3.322 N/A GLU 80.A N GLY 84.A O no hydrogen 2.922 N/A ASP 82.A N GLY 187.A O no hydrogen 2.753 N/A ILE 83.A N GLU 80.A O no hydrogen 2.888 N/A GLY 84.A N GLU 80.A O no hydrogen 2.791 N/A ALA 90.A N PRO 86.A O no hydrogen 3.074 N/A GLN 91.A N GLU 87.A O no hydrogen 2.882 N/A GLN 91.A NE2 TRP 247.A O no hydrogen 2.848 N/A GLN 91.A NE2 LYS 250.A O no hydrogen 2.859 N/A ARG 92.A N PRO 88.A O no hydrogen 3.063 N/A ARG 92.A NH1 ASP 125.A O no hydrogen 2.738 N/A ARG 92.A NH2 ASP 125.A O no hydrogen 3.294 N/A PHE 93.A N ASP 89.A O no hydrogen 2.991 N/A PHE 94.A N ALA 90.A O no hydrogen 2.790 N/A HIS 95.A N GLN 91.A O no hydrogen 2.836 N/A HIS 95.A NE2 TYR 248.A O no hydrogen 2.776 N/A GLN 96.A N ARG 92.A O no hydrogen 3.024 N/A GLN 96.A NE2 ASN 126.A OD1 no hydrogen 3.022 N/A LEU 97.A N PHE 93.A O no hydrogen 2.833 N/A MET 98.A N PHE 94.A O no hydrogen 2.867 N/A ALA 99.A N HIS 95.A O no hydrogen 2.940 N/A GLY 100.A N GLN 96.A O no hydrogen 3.020 N/A VAL 101.A N LEU 97.A O no hydrogen 2.874 N/A VAL 102.A N MET 98.A O no hydrogen 2.772 N/A TYR 103.A N ALA 99.A O no hydrogen 3.059 N/A TYR 103.A OH MET 48.A O no hydrogen 3.260 N/A LEU 104.A N GLY 100.A O no hydrogen 2.964 N/A HIS 105.A N VAL 101.A O no hydrogen 2.845 N/A HIS 105.A NE2 ASP 173.A OD2 no hydrogen 2.838 N/A GLY 106.A N VAL 102.A O no hydrogen 2.850 N/A ILE 107.A N TYR 103.A O no hydrogen 3.131 N/A ILE 107.A N LEU 104.A O no hydrogen 3.071 N/A GLY 108.A N HIS 105.A O no hydrogen 2.961 N/A ILE 109.A N LEU 104.A O no hydrogen 2.955 N/A THR 110.A N THR 136.A O no hydrogen 2.949 N/A THR 110.A OG1 ASP 173.A OD2 no hydrogen 2.623 N/A HIS 111.A N ASP 173.A OD2 no hydrogen 3.259 N/A HIS 111.A NE2 SER 130.A O no hydrogen 2.852 N/A ARG 112.A N ASP 173.A OD1 no hydrogen 3.128 N/A ARG 112.A NE LEU 134.A O no hydrogen 2.687 N/A ARG 112.A NH2 LEU 134.A O no hydrogen 3.025 N/A ASP 113.A N HIS 111.A ND1 no hydrogen 2.992 N/A LYS 115.A NZ THR 153.A OG1 no hydrogen 2.816 N/A GLU 117.A N GLU 117.A OE1 no hydrogen 2.696 N/A ASN 118.A N LYS 115.A O no hydrogen 2.916 N/A ASN 118.A ND2 ASP 113.A O no hydrogen 2.927 N/A LEU 119.A N PRO 116.A O no hydrogen 3.387 N/A LEU 120.A N LYS 128.A O no hydrogen 2.817 N/A LEU 121.A N GLY 73.A O no hydrogen 2.802 N/A ASP 122.A N ASN 126.A O no hydrogen 2.897 N/A GLU 123.A N GLU 123.A OE1 no hydrogen 2.653 N/A ARG 124.A N ASP 122.A OD1 no hydrogen 2.772 N/A ASP 125.A N ASP 122.A O no hydrogen 3.009 N/A ASN 126.A N ASP 122.A OD1 no hydrogen 2.788 N/A ASN 126.A ND2 ASP 122.A OD2 no hydrogen 3.250 N/A LEU 127.A N GLN 96.A OE1 no hydrogen 2.880 N/A LYS 128.A N LEU 120.A O no hydrogen 2.759 N/A LYS 128.A NZ GLU 52.A O no hydrogen 2.815 N/A LYS 128.A NZ GLU 68.A OE2 no hydrogen 3.159 N/A ILE 129.A N ASN 53.A O no hydrogen 2.804 N/A SER 130.A N ASN 118.A O no hydrogen 2.934 N/A SER 130.A OG ASN 118.A O no hydrogen 2.675 N/A GLY 133.A N ASP 131.A OD1 no hydrogen 2.999 N/A ALA 135.A N PHE 132.A O no hydrogen 3.303 N/A THR 136.A N THR 110.A O no hydrogen 3.065 N/A PHE 138.A N GLY 108.A O no hydrogen 2.860 N/A ARG 139.A N GLY 108.A O no hydrogen 3.425 N/A ARG 139.A NH1 HIS 105.A O no hydrogen 2.835 N/A ARG 139.A NH2 HIS 105.A O no hydrogen 3.288 N/A TYR 140.A N ARG 143.A O no hydrogen 3.060 N/A ARG 143.A N TYR 140.A O no hydrogen 2.943 N/A ARG 145.A N PHE 138.A O no hydrogen 2.780 N/A LEU 147.A N PHE 167.A O no hydrogen 2.882 N/A CYS 151.A SG.A LYS 149.A O no hydrogen 3.988 N/A CYS 151.A SG.B LEU 134.A O no hydrogen 3.820 N/A THR 153.A OG1 ASP 113.A OD1 no hydrogen 2.649 N/A TYR 156.A N THR 153.A O no hydrogen 2.788 N/A VAL 157.A N LEU 154.A O no hydrogen 3.182 N/A GLU 160.A N GLU 160.A OE1 no hydrogen 2.755 N/A LEU 161.A N ALA 158.A O no hydrogen 3.157 N/A LEU 162.A N PRO 159.A O no hydrogen 3.027 N/A LYS 163.A N PRO 159.A O no hydrogen 3.183 N/A LYS 163.A N GLU 160.A O no hydrogen 3.260 N/A ARG 164.A N GLU 160.A O no hydrogen 2.804 N/A PHE 167.A N LEU 147.A O no hydrogen 2.973 N/A HIS 168.A ND1 GLU 144.A OE2 no hydrogen 2.687 N/A VAL 172.A N ALA 169.A O no hydrogen 3.161 N/A ASP 173.A N ALA 169.A O no hydrogen 3.455 N/A VAL 174.A N GLU 170.A O no hydrogen 3.028 N/A TRP 175.A N PRO 171.A O no hydrogen 3.010 N/A SER 176.A N.A VAL 172.A O no hydrogen 3.122 N/A SER 176.A N.B VAL 172.A O no hydrogen 3.120 N/A SER 176.A OG.A VAL 172.A O no hydrogen 3.492 N/A SER 176.A OG.A ASP 173.A O no hydrogen 2.921 N/A SER 176.A OG.B TYR 156.A O no hydrogen 2.887 N/A SER 176.A OG.B VAL 172.A O no hydrogen 3.261 N/A CYS 177.A N ASP 173.A O no hydrogen 3.050 N/A CYS 177.A SG ASP 173.A O no hydrogen 3.316 N/A GLY 178.A N VAL 174.A O no hydrogen 3.035 N/A ILE 179.A N TRP 175.A O no hydrogen 2.997 N/A VAL 180.A N SER 176.A O.A no hydrogen 2.922 N/A VAL 180.A N SER 176.A O.B no hydrogen 2.891 N/A LEU 181.A N CYS 177.A O no hydrogen 2.939 N/A THR 182.A N GLY 178.A O no hydrogen 2.992 N/A THR 182.A OG1 GLY 178.A O no hydrogen 2.939 N/A ALA 183.A N ILE 179.A O no hydrogen 2.931 N/A MET 184.A N VAL 180.A O no hydrogen 2.913 N/A LEU 185.A N LEU 181.A O no hydrogen 2.978 N/A LEU 185.A N THR 182.A O no hydrogen 3.147 N/A ALA 186.A N THR 182.A O no hydrogen 2.839 N/A GLY 187.A N ALA 183.A O no hydrogen 2.776 N/A GLN 193.A NE2 SER 195.A OG no hydrogen 2.600 N/A SER 195.A N GLN 193.A O no hydrogen 2.869 N/A CYS 198.A N SER 195.A O no hydrogen 2.870 N/A CYS 198.A SG GLN 193.A O no hydrogen 3.335 N/A GLN 199.A NE2 ASP 203.A OD1 no hydrogen 2.926 N/A GLU 200.A N GLU 200.A OE1 no hydrogen 2.808 N/A TYR 201.A N CYS 198.A O no hydrogen 3.033 N/A TYR 201.A OH GLU 231.A OE2 no hydrogen 2.693 N/A SER 202.A N CYS 198.A O no hydrogen 3.202 N/A SER 202.A OG ASP 196.A O no hydrogen 2.998 N/A ASP 203.A N GLN 199.A O no hydrogen 2.856 N/A TRP 204.A N GLU 200.A O no hydrogen 3.127 N/A TRP 204.A NE1 LEU 229.A O no hydrogen 2.893 N/A LYS 205.A N TYR 201.A O no hydrogen 3.090 N/A LYS 205.A NZ ASP 196.A OD2 no hydrogen 2.757 N/A LYS 205.A NZ GLU 231.A OE1 no hydrogen 3.334 N/A LYS 205.A NZ GLU 231.A OE2 no hydrogen 2.828 N/A GLU 206.A N SER 202.A O no hydrogen 2.969 N/A LYS 207.A N TRP 204.A O no hydrogen 2.804 N/A LYS 208.A N ASP 203.A O no hydrogen 2.989 N/A LYS 208.A NZ ASP 203.A OD1 no hydrogen 3.522 N/A THR 209.A N LYS 207.A O no hydrogen 2.790 N/A LEU 211.A N LYS 208.A O no hydrogen 3.286 N/A LYS 215.A N LEU 211.A O no hydrogen 2.912 N/A LYS 216.A N PRO 213.A O no hydrogen 3.016 N/A LYS 216.A NZ ASP 82.A O no hydrogen 3.225 N/A LYS 216.A NZ ASP 82.A OD1 no hydrogen 2.950 N/A LYS 216.A NZ ALA 186.A O no hydrogen 2.784 N/A LYS 216.A NZ GLU 188.A OE2 no hydrogen 3.011 N/A ILE 217.A N TRP 214.A O no hydrogen 2.972 N/A ALA 220.A N ASP 218.A OD2 no hydrogen 3.020 N/A LEU 222.A N ASP 218.A O no hydrogen 2.939 N/A ALA 223.A N SER 219.A O no hydrogen 2.892 N/A LEU 224.A N ALA 220.A O no hydrogen 3.353 N/A LEU 225.A N PRO 221.A O no hydrogen 2.970 N/A HIS 226.A N LEU 222.A O no hydrogen 2.871 N/A LYS 227.A N LEU 224.A O no hydrogen 2.878 N/A LYS 227.A NZ ASP 245.A OD1 no hydrogen 2.777 N/A ILE 228.A N LEU 224.A O no hydrogen 2.963 N/A LEU 229.A N LEU 225.A O no hydrogen 2.847 N/A SER 234.A N ASN 232.A OD1 no hydrogen 2.909 N/A ALA 235.A N ASN 232.A O no hydrogen 2.987 N/A ARG 236.A NE VAL 230.A O no hydrogen 2.974 N/A ARG 236.A NH1 GLU 160.A OE1 no hydrogen 3.518 N/A ARG 236.A NH1 GLU 160.A OE2 no hydrogen 2.825 N/A ARG 236.A NH1 PRO 171.A O no hydrogen 2.829 N/A ARG 236.A NH2 GLU 160.A OE1 no hydrogen 2.807 N/A ARG 236.A NH2 VAL 230.A O no hydrogen 2.947 N/A ILE 237.A N LYS 227.A O no hydrogen 3.111 N/A ILE 242.A N THR 238.A O no hydrogen 2.871 N/A LYS 243.A N ILE 239.A O no hydrogen 3.007 N/A LYS 244.A N ASP 241.A O no hydrogen 2.942 N/A LYS 244.A NZ ASP 241.A OD1 no hydrogen 2.856 N/A ASP 245.A N ILE 242.A O no hydrogen 2.945 N/A TRP 247.A NE1 GLU 87.A OE2 no hydrogen 2.754 N/A TYR 248.A N ASP 245.A OD2 no hydrogen 2.856 N/A ASN 249.A N ASP 245.A O no hydrogen 3.170 N/A ASN 249.A N ARG 246.A O no hydrogen 3.199 N/A ASN 249.A ND2 LYS 243.A O no hydrogen 2.864 N/A ASN 249.A ND2 ASP 245.A O no hydrogen 2.843 N/A LYS 250.A N TRP 247.A O no hydrogen 2.998 N/A LYS 254.A NZ ASP 89.A OD1 no hydrogen 3.257 N/A LYS 254.A NZ ASP 89.A OD2 no hydrogen 3.083 N/A GLY 255.A N LYS 253.A O no hydrogen 3.371 N/A