Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3e9d_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ILE 227.A O no hydrogen 2.756 N/A LEU 2.A N ILE 227.A O no hydrogen 3.099 N/A THR 3.A OG1 THR 226.A OG1 no hydrogen 3.166 N/A PHE 4.A N PHE 225.A O no hydrogen 2.972 N/A ALA 5.A N VAL 176.A O no hydrogen 2.907 N/A LEU 6.A N PHE 223.A O no hydrogen 2.773 N/A THR 7.A N ALA 178.A O no hydrogen 2.860 N/A THR 7.A OG1 HIS 177.A NE2 no hydrogen 2.573 N/A ILE 8.A N SER 221.A O no hydrogen 2.804 N/A VAL 9.A N MET 180.A O no hydrogen 2.851 N/A ARG 10.A N GLY 219.A O no hydrogen 3.258 N/A ARG 10.A NH1 CYS 215.A O no hydrogen 2.967 N/A HIS 11.A N SER 182.A O no hydrogen 2.979 N/A HIS 11.A ND1 GLY 12.A O no hydrogen 2.530 N/A GLY 12.A N THR 65.A OG1 no hydrogen 2.951 N/A GLU 13.A N GLN 38.A OE1 no hydrogen 2.914 N/A THR 14.A N ASN 17.A OD1 no hydrogen 3.192 N/A GLN 15.A NE2 ASP 19.A OD1 no hydrogen 3.047 N/A GLN 15.A NE2 ASP 19.A OD2 no hydrogen 3.297 N/A ASN 17.A N THR 14.A OG1 no hydrogen 3.130 N/A ARG 18.A N THR 14.A O no hydrogen 3.105 N/A ASP 19.A N GLN 15.A O no hydrogen 2.908 N/A LYS 20.A N ASN 17.A O no hydrogen 3.077 N/A LEU 21.A N TYR 16.A O no hydrogen 2.913 N/A LEU 22.A N ARG 98.A O no hydrogen 2.914 N/A GLN 23.A NE2 THR 14.A OG1 no hydrogen 2.758 N/A GLY 24.A N GLU 96.A OE2 no hydrogen 2.888 N/A GLN 25.A NE2 GLU 89.A O no hydrogen 2.991 N/A GLY 26.A N GLU 96.A OE1 no hydrogen 3.045 N/A GLY 26.A N GLU 96.A OE2 no hydrogen 2.914 N/A ILE 27.A N GLU 96.A OE2 no hydrogen 2.805 N/A THR 29.A OG1 GLN 23.A OE1 no hydrogen 1.915 N/A LEU 31.A N GLN 64.A OE1 no hydrogen 2.919 N/A SER 32.A N GLU 13.A O no hydrogen 2.991 N/A SER 32.A OG GLU 13.A O no hydrogen 3.109 N/A GLY 35.A N SER 32.A OG no hydrogen 3.217 N/A HIS 36.A N SER 32.A O no hydrogen 3.037 N/A GLN 37.A N ASP 33.A O no hydrogen 3.184 N/A GLN 37.A NE2 ASP 33.A O no hydrogen 3.400 N/A GLN 38.A N THR 34.A O no hydrogen 2.866 N/A ALA 39.A N GLY 35.A O no hydrogen 2.900 N/A ALA 40.A N HIS 36.A O no hydrogen 3.073 N/A ALA 41.A N GLN 37.A O no hydrogen 3.061 N/A ALA 42.A N GLN 38.A O no hydrogen 2.940 N/A GLY 43.A N ALA 39.A O no hydrogen 2.829 N/A ARG 44.A N ALA 40.A O no hydrogen 2.815 N/A TYR 45.A N ALA 41.A O no hydrogen 2.979 N/A LEU 46.A N ALA 42.A O no hydrogen 3.026 N/A LYS 47.A N ARG 44.A O no hydrogen 3.375 N/A LYS 47.A NZ ASP 48.A OD1 no hydrogen 3.523 N/A LYS 47.A NZ ASP 48.A OD2 no hydrogen 3.025 N/A LEU 49.A N LEU 46.A O no hydrogen 3.099 N/A PHE 51.A N SER 76.A OG no hydrogen 2.909 N/A THR 52.A N HIS 177.A O no hydrogen 2.888 N/A THR 52.A OG1 ASN 53.A OD1 no hydrogen 2.729 N/A THR 52.A OG1 HIS 177.A O no hydrogen 3.204 N/A ASN 53.A ND2 GLU 146.A OE1 no hydrogen 2.978 N/A PHE 55.A N LEU 179.A O no hydrogen 2.833 N/A VAL 56.A N ILE 82.A O no hydrogen 2.909 N/A SER 57.A N VAL 181.A O no hydrogen 3.213 N/A SER 57.A OG HIS 183.A NE2 no hydrogen 2.714 N/A LEU 59.A N SER 57.A OG no hydrogen 3.144 N/A GLN 60.A N ASP 28.A OD1 no hydrogen 2.741 N/A ARG 61.A NE HIS 11.A NE2 no hydrogen 3.583 N/A ARG 61.A NH2 GLY 24.A O no hydrogen 2.796 N/A ALA 62.A N LEU 59.A O no hydrogen 3.033 N/A ILE 63.A N LEU 59.A O no hydrogen 3.005 N/A GLN 64.A N GLN 60.A O no hydrogen 2.858 N/A THR 65.A N ARG 61.A O no hydrogen 3.404 N/A THR 65.A OG1 ARG 61.A O no hydrogen 2.839 N/A ALA 66.A N ALA 62.A O no hydrogen 2.863 N/A GLU 67.A N ILE 63.A O no hydrogen 2.867 N/A ILE 68.A N GLN 64.A O no hydrogen 3.003 N/A ILE 69.A N THR 65.A O no hydrogen 2.906 N/A LEU 70.A N ALA 66.A O no hydrogen 2.958 N/A GLY 71.A N GLU 67.A O no hydrogen 2.858 N/A ASN 72.A N ILE 68.A O no hydrogen 3.138 N/A ASN 72.A ND2 ILE 68.A O no hydrogen 2.814 N/A ASN 73.A N LEU 70.A O no hydrogen 3.015 N/A ASN 73.A ND2 LEU 49.A O no hydrogen 2.855 N/A LEU 74.A N LYS 47.A O no hydrogen 2.897 N/A HIS 75.A N ASN 73.A OD1 no hydrogen 2.794 N/A SER 76.A OG LEU 49.A O no hydrogen 3.532 N/A SER 76.A OG ASN 73.A OD1 no hydrogen 2.753 N/A THR 79.A N SER 76.A O no hydrogen 3.000 N/A THR 79.A OG1 PHE 51.A O no hydrogen 2.643 N/A ILE 82.A N VAL 54.A O no hydrogen 2.841 N/A ASP 84.A N VAL 56.A O no hydrogen 2.716 N/A LEU 86.A N ASP 84.A OD1 no hydrogen 2.904 N/A LEU 87.A N ASP 84.A O no hydrogen 2.960 N/A ARG 88.A N PRO 85.A O no hydrogen 3.128 N/A ARG 88.A NE GLN 25.A OE1 no hydrogen 2.876 N/A ARG 88.A NH1 PRO 85.A O no hydrogen 2.804 N/A ARG 90.A N GLU 89.A OE1 no hydrogen 2.737 N/A ARG 90.A NE GLU 123.A O no hydrogen 2.866 N/A ARG 90.A NH2 GLU 123.A O no hydrogen 3.016 N/A GLY 91.A N GLU 123.A OE1 no hydrogen 2.828 N/A VAL 94.A N PRO 120.A O no hydrogen 2.990 N/A ALA 95.A N PHE 92.A O no hydrogen 2.969 N/A GLU 96.A N GLY 93.A O no hydrogen 3.148 N/A GLY 97.A N LEU 22.A O no hydrogen 2.736 N/A ARG 98.A N ALA 95.A O no hydrogen 3.101 N/A LYS 100.A N LYS 20.A O no hydrogen 3.057 N/A HIS 102.A N PRO 99.A O no hydrogen 2.806 N/A ASN 105.A N GLU 101.A O no hydrogen 3.094 N/A MET 106.A N HIS 102.A O no hydrogen 2.858 N/A ALA 107.A N LEU 103.A O no hydrogen 2.921 N/A ASN 108.A N LYS 104.A O no hydrogen 2.967 N/A ALA 109.A N ASN 105.A O no hydrogen 2.792 N/A ALA 110.A N MET 106.A O no hydrogen 2.964 N/A ALA 110.A N ALA 107.A O no hydrogen 3.157 N/A GLY 111.A N ASN 108.A O no hydrogen 2.814 N/A GLN 112.A N ALA 107.A O no hydrogen 3.159 N/A ASP 116.A N SER 113.A OG no hydrogen 3.409 N/A GLY 122.A N PRO 119.A O no hydrogen 2.871 N/A GLU 123.A N GLY 91.A O no hydrogen 2.863 N/A THR 124.A N GLN 127.A OE1 no hydrogen 2.876 N/A THR 124.A OG1 GLN 127.A OE1 no hydrogen 3.484 N/A GLN 127.A N THR 124.A OG1 no hydrogen 3.214 N/A VAL 128.A N THR 124.A O no hydrogen 3.133 N/A LYS 129.A N LEU 125.A O no hydrogen 2.952 N/A LYS 129.A NZ GLU 126.A OE2 no hydrogen 3.247 N/A LYS 129.A NZ ASP 197.A OD2 no hydrogen 2.816 N/A THR 130.A N GLU 126.A O no hydrogen 2.840 N/A THR 130.A OG1 GLU 126.A O no hydrogen 2.920 N/A ARG 131.A N GLN 127.A O no hydrogen 3.186 N/A ARG 131.A NE GLU 123.A OE2 no hydrogen 2.754 N/A ARG 131.A NH1 LEU 86.A O no hydrogen 2.720 N/A ARG 131.A NH1 ARG 88.A O no hydrogen 2.776 N/A ARG 131.A NH2 ARG 88.A O no hydrogen 2.983 N/A ARG 131.A NH2 GLU 123.A OE1 no hydrogen 2.836 N/A ARG 131.A NH2 GLU 123.A OE2 no hydrogen 3.562 N/A PHE 132.A N VAL 128.A O no hydrogen 3.128 N/A LYS 133.A N LYS 129.A O no hydrogen 2.855 N/A MET 134.A N THR 130.A O no hydrogen 2.919 N/A PHE 135.A N ARG 131.A O no hydrogen 2.831 N/A LEU 136.A N PHE 132.A O no hydrogen 2.775 N/A LYS 137.A N LYS 133.A O no hydrogen 3.082 N/A SER 138.A N MET 134.A O no hydrogen 3.047 N/A LEU 139.A N PHE 135.A O no hydrogen 2.742 N/A PHE 140.A N LEU 136.A O no hydrogen 2.868 N/A GLN 141.A N LYS 137.A O no hydrogen 3.222 N/A GLN 141.A NE2 GLU 145.A OE2 no hydrogen 2.630 N/A ARG 142.A N SER 138.A O no hydrogen 2.967 N/A MET 143.A N LEU 139.A O no hydrogen 2.873 N/A PHE 144.A N PHE 140.A O no hydrogen 2.891 N/A GLU 145.A N GLN 141.A O no hydrogen 2.950 N/A GLU 146.A N ARG 142.A O no hydrogen 3.115 N/A HIS 147.A N MET 143.A O no hydrogen 2.934 N/A HIS 147.A NE2 ASN 53.A OD1 no hydrogen 2.798 N/A ALA 150.A N HIS 147.A O no hydrogen 2.897 N/A LEU 151.A N GLY 148.A O no hydrogen 3.228 N/A SER 152.A N MET 1.A O no hydrogen 2.671 N/A VAL 154.A N SER 152.A OG no hydrogen 3.125 N/A GLN 160.A NE2 PRO 161.A O no hydrogen 3.383 N/A ALA 164.A N ASP 169.A OD1 no hydrogen 2.826 N/A GLY 165.A N ASP 169.A OD2 no hydrogen 2.850 N/A LEU 166.A N ASP 169.A OD1 no hydrogen 3.126 N/A LEU 166.A N ASP 169.A OD2 no hydrogen 3.073 N/A ASP 169.A N LEU 166.A O no hydrogen 3.062 N/A GLY 170.A N VAL 162.A O no hydrogen 3.129 N/A ALA 171.A N ASP 168.A O no hydrogen 2.911 N/A GLN 172.A N GLN 172.A OE1 no hydrogen 2.900 N/A GLN 172.A NE2 VAL 162.A O no hydrogen 3.032 N/A VAL 174.A N ALA 171.A O no hydrogen 2.997 N/A HIS 177.A N THR 52.A OG1 no hydrogen 3.109 N/A HIS 177.A NE2 THR 7.A OG1 no hydrogen 2.573 N/A ALA 178.A N ALA 5.A O no hydrogen 2.802 N/A LEU 179.A N ASN 53.A O no hydrogen 2.843 N/A MET 180.A N THR 7.A O no hydrogen 2.784 N/A VAL 181.A N PHE 55.A O no hydrogen 2.895 N/A SER 182.A N VAL 9.A O no hydrogen 2.943 N/A SER 182.A OG LEU 87.A O no hydrogen 2.699 N/A HIS 183.A NE2 SER 57.A OG no hydrogen 2.714 N/A ALA 185.A N GLU 89.A OE2 no hydrogen 3.010 N/A PHE 186.A N GLU 89.A OE1 no hydrogen 2.867 N/A ILE 187.A N HIS 183.A O no hydrogen 2.808 N/A ARG 188.A N GLY 184.A O no hydrogen 2.955 N/A ARG 188.A NE PHE 212.A O no hydrogen 2.875 N/A ARG 188.A NH2 PHE 212.A O no hydrogen 3.025 N/A ILE 189.A N ALA 185.A O no hydrogen 3.002 N/A SER 190.A N PHE 186.A O no hydrogen 2.858 N/A SER 190.A OG PHE 186.A O no hydrogen 2.741 N/A VAL 191.A N ILE 187.A O no hydrogen 2.785 N/A ARG 192.A N ARG 188.A O no hydrogen 3.152 N/A ARG 192.A NH1 GLU 196.A OE2 no hydrogen 2.980 N/A HIS 193.A N ILE 189.A O no hydrogen 3.037 N/A HIS 193.A ND1 ASP 197.A OD2 no hydrogen 2.858 N/A LEU 194.A N SER 190.A O no hydrogen 2.982 N/A VAL 195.A N VAL 191.A O no hydrogen 2.931 N/A GLU 196.A N ARG 192.A O no hydrogen 2.803 N/A ASP 197.A N HIS 193.A O no hydrogen 3.048 N/A LEU 198.A N HIS 193.A O no hydrogen 3.200 N/A CYS 200.A SG CYS 201.A O no hydrogen 3.771 N/A CYS 200.A SG ILE 239.A O no hydrogen 3.720 N/A CYS 201.A N ILE 239.A O no hydrogen 2.871 N/A ALA 204.A N GLN 160.A OE1 no hydrogen 2.817 N/A LYS 207.A NZ GLY 205.A O no hydrogen 3.351 N/A GLN 210.A NE2 ILE 244.A O no hydrogen 2.906 N/A VAL 211.A N LYS 207.A O no hydrogen 2.995 N/A PHE 212.A N MET 208.A O no hydrogen 3.018 N/A SER 213.A N GLN 210.A O no hydrogen 3.098 N/A SER 213.A OG GLN 210.A O no hydrogen 2.725 N/A CYS 215.A SG PRO 216.A O no hydrogen 3.356 N/A CYS 215.A SG ASN 245.A OD1 no hydrogen 3.224 N/A ASN 217.A ND2 HIS 11.A O no hydrogen 2.984 N/A ASN 217.A ND2 ASN 17.A OD1 no hydrogen 3.073 N/A THR 218.A N ARG 10.A O no hydrogen 2.879 N/A THR 218.A N HIS 11.A O no hydrogen 3.319 N/A THR 218.A OG1 ASN 217.A O no hydrogen 2.663 N/A THR 218.A OG1 HIS 249.A NE2 no hydrogen 2.868 N/A GLY 219.A N PRO 216.A O no hydrogen 2.889 N/A ILE 220.A N ARG 246.A O no hydrogen 2.847 N/A SER 221.A N ILE 8.A O no hydrogen 2.856 N/A ARG 222.A N PHE 243.A O no hydrogen 2.850 N/A ARG 222.A NE ASP 169.A O no hydrogen 2.974 N/A ARG 222.A NH1 THR 7.A OG1 no hydrogen 2.017 N/A ARG 222.A NH2 ALA 167.A O no hydrogen 2.959 N/A PHE 223.A N LEU 6.A O no hydrogen 3.068 N/A ILE 224.A N GLN 240.A O no hydrogen 2.814 N/A PHE 225.A N PHE 4.A O no hydrogen 2.858 N/A THR 226.A N ARG 238.A O no hydrogen 2.819 N/A THR 226.A OG1 THR 3.A OG1 no hydrogen 3.166 N/A ILE 227.A N LEU 2.A O no hydrogen 2.840 N/A HIS 228.A N ARG 235.A O no hydrogen 2.775 N/A ARG 229.A NH1 GLN 141.A OE1 no hydrogen 3.535 N/A GLU 230.A N VAL 233.A O no hydrogen 2.817 N/A VAL 233.A N GLU 230.A O no hydrogen 2.904 N/A ARG 235.A N HIS 228.A O no hydrogen 2.822 N/A THR 237.A N THR 226.A O no hydrogen 2.808 N/A THR 237.A OG1 THR 226.A O no hydrogen 3.259 N/A ARG 238.A N THR 226.A O no hydrogen 3.401 N/A ARG 238.A NH2 SER 156.A O no hydrogen 3.031 N/A GLN 240.A N ILE 224.A O no hydrogen 2.784 N/A GLN 240.A NE2 GLY 241.A O no hydrogen 2.965 N/A GLY 241.A N CYS 201.A O no hydrogen 2.789 N/A VAL 242.A N ARG 222.A O no hydrogen 2.823 N/A ASN 245.A N SER 221.A OG no hydrogen 2.983 N/A ASN 245.A ND2 SER 213.A O no hydrogen 2.908 N/A ASN 245.A ND2 SER 213.A OG no hydrogen 2.988 N/A ARG 246.A N ILE 220.A O no hydrogen 2.766 N/A ARG 246.A NH1 TYR 45.A OH no hydrogen 2.995 N/A ARG 246.A NH1 LEU 166.A O no hydrogen 2.920 N/A ARG 246.A NH1 ASP 169.A OD2 no hydrogen 3.194 N/A ARG 246.A NH2 ASP 169.A OD2 no hydrogen 2.845 N/A HIS 249.A NE2 THR 218.A OG1 no hydrogen 2.868 N/A LEU 250.A N LYS 247.A O no hydrogen 2.960 N/A