Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pub_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 5.A N PRO 2.A O no hydrogen 3.160 N/A LEU 6.A N PRO 2.A O no hydrogen 3.052 N/A GLU 7.A N ASN 3.A O no hydrogen 2.838 N/A GLU 8.A N ASP 4.A O no hydrogen 3.006 N/A GLN 9.A N ILE 5.A O no hydrogen 2.967 N/A LEU 10.A N LEU 6.A O no hydrogen 3.048 N/A TYR 11.A N GLU 7.A O no hydrogen 2.739 N/A ASN 12.A N GLU 8.A O no hydrogen 2.872 N/A ASN 12.A ND2 GLU 8.A OE2 no hydrogen 2.766 N/A SER 13.A N GLN 9.A O no hydrogen 3.148 N/A SER 13.A OG LEU 10.A O no hydrogen 2.609 N/A ILE 14.A N LEU 10.A O no hydrogen 3.183 N/A VAL 15.A N TYR 11.A O no hydrogen 2.979 N/A VAL 16.A N ASN 12.A O no hydrogen 3.177 N/A ALA 17.A N ILE 14.A O no hydrogen 2.967 N/A ASP 18.A N SER 13.A O no hydrogen 2.960 N/A SER 21.A N ASP 18.A OD1 no hydrogen 3.219 N/A ALA 22.A N ASP 18.A O no hydrogen 3.074 N/A VAL 23.A N TYR 19.A O no hydrogen 2.793 N/A GLU 24.A N ASP 20.A O no hydrogen 2.936 N/A LYS 25.A N SER 21.A O no hydrogen 2.850 N/A SER 26.A N ALA 22.A O no hydrogen 2.891 N/A SER 26.A OG ALA 22.A O no hydrogen 2.470 N/A SER 26.A OG TYR 56.A OH no hydrogen 2.519 N/A LYS 27.A N VAL 23.A O no hydrogen 2.771 N/A LYS 27.A NZ GLN 63.A O no hydrogen 2.696 N/A LYS 27.A NZ SER 65.A OG no hydrogen 3.104 N/A HIS 28.A N GLU 24.A O no hydrogen 3.107 N/A LEU 29.A N LYS 25.A O no hydrogen 2.958 N/A TYR 30.A N SER 26.A O no hydrogen 2.916 N/A TYR 30.A OH ASP 71.A OD2 no hydrogen 2.388 N/A GLU 31.A N LYS 27.A O no hydrogen 2.868 N/A GLU 32.A N HIS 28.A O no hydrogen 2.913 N/A LYS 33.A N TYR 30.A O no hydrogen 3.176 N/A LYS 34.A N LEU 29.A O no hydrogen 2.731 N/A GLU 36.A N GLU 36.A OE1 no hydrogen 2.742 N/A VAL 37.A N LYS 34.A O no hydrogen 3.133 N/A THR 39.A N SER 35.A O no hydrogen 2.899 N/A THR 39.A OG1 SER 35.A O no hydrogen 3.159 N/A ASN 40.A N GLU 36.A O no hydrogen 2.973 N/A ASN 40.A ND2 GLU 7.A OE1 no hydrogen 2.964 N/A VAL 41.A N VAL 37.A O no hydrogen 2.920 N/A VAL 42.A N ILE 38.A O no hydrogen 2.893 N/A ASN 43.A N THR 39.A O no hydrogen 2.933 N/A LYS 44.A N ASN 40.A O no hydrogen 3.009 N/A LYS 44.A NZ ASN 48.A OD1 no hydrogen 3.374 N/A LEU 45.A N VAL 41.A O no hydrogen 2.882 N/A ILE 46.A N VAL 42.A O no hydrogen 2.986 N/A ARG 47.A N ASN 43.A O no hydrogen 3.014 N/A ASN 48.A N LYS 44.A O no hydrogen 2.955 N/A ASN 49.A N ILE 46.A O no hydrogen 2.937 N/A LYS 50.A N LEU 45.A O no hydrogen 2.883 N/A ASN 52.A ND2 ILE 14.A O no hydrogen 2.937 N/A CYS 53.A N LYS 50.A O no hydrogen 3.100 N/A MET 54.A N MET 51.A O no hydrogen 2.913 N/A GLU 55.A N GLU 55.A OE1 no hydrogen 2.908 N/A TYR 56.A N ASN 52.A O no hydrogen 2.892 N/A TYR 56.A OH SER 26.A OG no hydrogen 2.519 N/A ALA 57.A N CYS 53.A O no hydrogen 2.993 N/A TYR 58.A N MET 54.A O no hydrogen 2.983 N/A GLN 59.A N GLU 55.A O no hydrogen 2.862 N/A LEU 60.A N TYR 56.A O no hydrogen 3.019 N/A TRP 61.A N ALA 57.A O no hydrogen 2.853 N/A LEU 62.A N TYR 58.A O no hydrogen 2.868 N/A GLN 63.A N GLN 59.A O no hydrogen 2.821 N/A GLN 63.A NE2 ASP 20.A OD1 no hydrogen 2.941 N/A GLN 63.A NE2 GLN 59.A OE1 no hydrogen 2.734 N/A SER 65.A N LEU 60.A O no hydrogen 2.806 N/A LYS 66.A NZ TRP 61.A O no hydrogen 2.730 N/A ILE 68.A N SER 65.A O no hydrogen 3.091 N/A VAL 69.A N SER 65.A O no hydrogen 3.417 N/A ARG 70.A N LYS 66.A O no hydrogen 2.889 N/A ASP 71.A N ASP 67.A O no hydrogen 2.887 N/A CYS 72.A N ILE 68.A O no hydrogen 2.770 N/A GLU 76.A N GLU 76.A OE1 no hydrogen 2.740 N/A PHE 77.A N PRO 74.A O no hydrogen 3.041 N/A LEU 79.A N VAL 75.A O no hydrogen 3.077 N/A ILE 80.A N GLU 76.A O no hydrogen 2.858 N/A PHE 81.A N PHE 77.A O no hydrogen 2.936 N/A ALA 82.A N ARG 78.A O no hydrogen 2.711 N/A GLU 83.A N ILE 80.A O no hydrogen 3.142 N/A ASN 84.A N LEU 79.A O no hydrogen 3.039 N/A ILE 86.A N TRP 125.A O no hydrogen 2.773 N/A LYS 87.A N LYS 233.A O no hydrogen 2.687 N/A LYS 87.A NZ LYS 118.A O no hydrogen 2.706 N/A MET 89.A N GLY 231.A O no hydrogen 2.913 N/A TYR 90.A N LEU 95.A O no hydrogen 2.936 N/A LYS 91.A N ALA 229.A O no hydrogen 3.144 N/A LYS 91.A NZ ASP 186.A OD1 no hydrogen 3.314 N/A ASP 93.A N TYR 90.A O no hydrogen 3.219 N/A GLY 94.A N TYR 90.A O no hydrogen 2.733 N/A LEU 97.A N LEU 88.A O no hydrogen 2.854 N/A THR 98.A N PHE 112.A O no hydrogen 2.792 N/A THR 98.A OG1 LEU 99.A O no hydrogen 3.560 N/A THR 98.A OG1 LYS 122.A O no hydrogen 2.752 N/A SER 100.A N LEU 110.A O no hydrogen 2.766 N/A SER 100.A OG ASP 102.A O no hydrogen 2.657 N/A VAL 103.A N ASP 102.A OD1 no hydrogen 2.816 N/A HIS 104.A N GLY 108.A O no hydrogen 2.718 N/A HIS 104.A ND1 ASP 107.A OD1 no hydrogen 2.945 N/A ASP 107.A N HIS 104.A O no hydrogen 2.858 N/A ARG 109.A N GLY 165.A O no hydrogen 2.808 N/A ARG 109.A NE ASN 101.A O no hydrogen 3.020 N/A ARG 109.A NH1 GLN 147.A OE1 no hydrogen 2.853 N/A ARG 109.A NH2 ASN 101.A O no hydrogen 3.318 N/A LEU 110.A N SER 100.A OG no hydrogen 2.931 N/A ALA 111.A N ALA 163.A O no hydrogen 3.007 N/A PHE 112.A N THR 98.A O no hydrogen 3.061 N/A GLY 113.A N ARG 212.A O no hydrogen 2.725 N/A ASP 114.A N ALA 96.A O no hydrogen 2.920 N/A GLY 115.A N ASN 211.A OD1 no hydrogen 2.709 N/A LYS 116.A N ASP 114.A OD1 no hydrogen 2.964 N/A ASP 117.A N ASP 114.A OD1 no hydrogen 2.694 N/A THR 119.A N ASP 117.A OD1 no hydrogen 2.956 N/A SER 120.A N ASP 117.A OD1 no hydrogen 2.848 N/A SER 120.A OG ASP 117.A OD1 no hydrogen 3.545 N/A SER 120.A OG ASP 117.A OD2 no hydrogen 2.466 N/A LYS 122.A N SER 120.A OG no hydrogen 3.161 N/A LYS 122.A NZ ASN 101.A OD1 no hydrogen 3.114 N/A LYS 122.A NZ GLU 144.A OE2 no hydrogen 3.448 N/A VAL 123.A N SER 120.A O no hydrogen 3.060 N/A SER 124.A N PRO 121.A O no hydrogen 3.254 N/A SER 124.A OG THR 143.A OG1 no hydrogen 2.854 N/A TRP 125.A N ILE 86.A O no hydrogen 2.831 N/A TRP 125.A NE1 LEU 97.A O no hydrogen 2.807 N/A LYS 126.A N LEU 141.A O no hydrogen 2.790 N/A ILE 128.A N LYS 139.A O no hydrogen 2.750 N/A LEU 130.A N TYR 137.A O no hydrogen 2.798 N/A GLU 132.A N LYS 135.A O no hydrogen 2.908 N/A ASN 134.A ND2 ALA 17.A O no hydrogen 2.962 N/A LYS 135.A N GLU 132.A O no hydrogen 3.083 N/A LYS 135.A NZ GLU 132.A O no hydrogen 3.545 N/A LYS 135.A NZ TYR 137.A OH no hydrogen 2.832 N/A VAL 136.A N GLU 55.A OE2 no hydrogen 2.843 N/A TYR 137.A N LEU 130.A O no hydrogen 2.822 N/A PHE 138.A N TRP 176.A O no hydrogen 2.630 N/A LYS 139.A N ILE 128.A O no hydrogen 2.940 N/A LEU 141.A N LYS 126.A O no hydrogen 2.846 N/A ASN 142.A N GLN 147.A O no hydrogen 2.719 N/A ASN 142.A ND2 LYS 122.A O no hydrogen 3.330 N/A THR 143.A N SER 124.A O no hydrogen 3.079 N/A THR 143.A OG1 SER 124.A O no hydrogen 3.274 N/A THR 143.A OG1 SER 124.A OG no hydrogen 2.854 N/A ARG 145.A N ASN 142.A OD1 no hydrogen 2.873 N/A ARG 145.A NH2 ASN 101.A OD1 no hydrogen 2.801 N/A GLN 147.A N ASN 142.A O no hydrogen 3.323 N/A GLN 147.A NE2 ASN 167.A OD1 no hydrogen 2.937 N/A TYR 148.A N VAL 166.A O no hydrogen 2.680 N/A LEU 149.A N ILE 140.A O no hydrogen 2.855 N/A VAL 150.A N PHE 164.A O no hydrogen 2.745 N/A LEU 151.A N ARG 173.A O no hydrogen 3.047 N/A GLY 152.A N MET 162.A O no hydrogen 2.784 N/A THR 155.A OG1 ASN 156.A O no hydrogen 3.422 N/A ASN 156.A N ASP 160.A O no hydrogen 2.954 N/A ASN 156.A ND2 ASP 160.A OD2 no hydrogen 3.240 N/A ASN 158.A N ASN 156.A OD1 no hydrogen 2.890 N/A ASN 158.A ND2 ASP 160.A OD1 no hydrogen 2.498 N/A ASN 158.A ND2 ASP 160.A OD2 no hydrogen 3.430 N/A ASN 158.A ND2 ASN 218.A O no hydrogen 3.349 N/A GLY 159.A N ASN 156.A O no hydrogen 3.077 N/A ASP 160.A N ASN 156.A OD1 no hydrogen 2.974 N/A HIS 161.A N GLY 216.A O no hydrogen 2.957 N/A HIS 161.A ND1 GLY 152.A O no hydrogen 2.731 N/A ALA 163.A N ALA 214.A O no hydrogen 3.244 N/A PHE 164.A N VAL 150.A O no hydrogen 2.905 N/A GLY 165.A N ARG 109.A O no hydrogen 2.682 N/A VAL 166.A N TYR 148.A O no hydrogen 2.798 N/A ARG 173.A N SER 171.A OG no hydrogen 2.836 N/A ARG 173.A NH1 LEU 151.A O no hydrogen 2.769 N/A ALA 174.A N SER 171.A O no hydrogen 3.183 N/A GLN 175.A N PHE 172.A O no hydrogen 3.176 N/A TRP 176.A N PHE 138.A O no hydrogen 2.798 N/A TRP 176.A NE1 LEU 149.A O no hydrogen 2.827 N/A TYR 177.A N TYR 192.A O no hydrogen 2.792 N/A TYR 177.A OH SER 197.A OG no hydrogen 3.320 N/A GLN 179.A N TYR 190.A O no hydrogen 2.917 N/A GLN 179.A NE2 ASN 49.A O no hydrogen 2.749 N/A ALA 181.A N LEU 188.A O no hydrogen 2.805 N/A LYS 182.A NZ ASN 43.A O no hydrogen 2.718 N/A TYR 183.A N ASP 186.A O no hydrogen 2.896 N/A ASP 186.A N TYR 183.A O no hydrogen 2.862 N/A LEU 188.A N ALA 181.A O no hydrogen 2.755 N/A PHE 189.A N TRP 230.A O no hydrogen 2.694 N/A TYR 190.A N GLN 179.A O no hydrogen 2.784 N/A TYR 192.A N TYR 177.A O no hydrogen 2.747 N/A TYR 192.A OH GLN 179.A OE1 no hydrogen 2.695 N/A ASN 193.A N LYS 198.A O no hydrogen 2.877 N/A ASN 193.A ND2 ARG 173.A O no hydrogen 2.825 N/A ARG 194.A N GLN 175.A O no hydrogen 2.766 N/A ARG 194.A NH1 GLU 132.A OE1 no hydrogen 3.126 N/A ARG 194.A NH1 GLN 175.A OE1 no hydrogen 2.607 N/A ARG 194.A NH2 GLU 132.A OE1 no hydrogen 2.846 N/A GLU 195.A N PHE 172.A O no hydrogen 3.125 N/A TYR 196.A N ASN 193.A OD1 no hydrogen 3.001 N/A SER 197.A N ASN 193.A O no hydrogen 2.762 N/A SER 197.A OG TYR 177.A OH no hydrogen 3.320 N/A LYS 198.A NZ TYR 196.A O no hydrogen 3.370 N/A LEU 200.A N ILE 191.A O no hydrogen 2.724 N/A THR 201.A N TRP 215.A O no hydrogen 2.813 N/A THR 201.A OG1 TRP 215.A O no hydrogen 3.095 N/A SER 203.A N MET 213.A O no hydrogen 2.741 N/A ARG 204.A NE LEU 202.A O no hydrogen 3.475 N/A ARG 204.A NH1 ASP 93.A OD1 no hydrogen 3.079 N/A ARG 204.A NH2 ASP 93.A OD1 no hydrogen 3.319 N/A ARG 204.A NH2 ASP 93.A OD2 no hydrogen 2.381 N/A ARG 204.A NH2 LEU 202.A O no hydrogen 3.134 N/A THR 205.A N SER 203.A OG no hydrogen 3.023 N/A GLU 207.A N ASN 211.A O no hydrogen 2.844 N/A GLY 210.A N GLU 207.A O no hydrogen 2.886 N/A ASN 211.A N SER 209.A OG no hydrogen 3.188 N/A ARG 212.A N GLY 113.A O no hydrogen 2.931 N/A ARG 212.A NH1 SER 203.A O no hydrogen 2.757 N/A ALA 214.A N ALA 111.A O no hydrogen 3.033 N/A TRP 215.A N THR 201.A O no hydrogen 2.899 N/A GLY 216.A N HIS 161.A O no hydrogen 2.662 N/A TYR 217.A N ALA 199.A O no hydrogen 2.779 N/A ASN 218.A N ASP 160.A OD1 no hydrogen 2.902 N/A ASN 218.A ND2 ASN 158.A O no hydrogen 2.812 N/A SER 224.A N VAL 221.A O no hydrogen 3.068 N/A GLU 226.A N GLU 226.A OE1 no hydrogen 2.758 N/A HIS 227.A N SER 224.A O no hydrogen 3.004 N/A TYR 228.A N SER 224.A O no hydrogen 2.943 N/A ALA 229.A N PRO 225.A O no hydrogen 2.958 N/A TRP 230.A N PHE 189.A O no hydrogen 2.685 N/A TRP 230.A NE1 LEU 200.A O no hydrogen 2.805 N/A GLY 231.A N MET 89.A O no hydrogen 2.794 N/A LYS 233.A N LYS 87.A O no hydrogen 3.016 N/A PHE 235.A N ALA 85.A O no hydrogen 3.092 N/A