Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1lb3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A N SER 1.A O no hydrogen 3.356 N/A ARG 4.A NE TYR 7.A O no hydrogen 2.888 N/A ARG 4.A NH1 GLU 12.A OE1 no hydrogen 2.917 N/A ARG 4.A NH2 TYR 7.A O no hydrogen 2.935 N/A ARG 4.A NH2 GLU 12.A OE1 no hydrogen 2.829 N/A ASN 6.A ND2 ALA 120.A O no hydrogen 2.908 N/A TYR 7.A OH GLN 68.A OE1 no hydrogen 2.724 N/A THR 9.A OG1.A GLU 10.A OE1.B no hydrogen 3.180 N/A GLU 10.A N.B GLU 10.A OE1.B no hydrogen 2.537 N/A VAL 11.A N SER 8.A OG no hydrogen 3.105 N/A GLU 12.A N SER 8.A O no hydrogen 3.018 N/A ALA 13.A N THR 9.A O no hydrogen 2.968 N/A ALA 14.A N GLU 10.A O.A no hydrogen 3.042 N/A ALA 14.A N GLU 10.A O.B no hydrogen 2.956 N/A VAL 15.A N VAL 11.A O no hydrogen 2.789 N/A ASN 16.A N GLU 12.A O no hydrogen 3.217 N/A ASN 16.A ND2 ARG 74.A O.A no hydrogen 3.192 N/A ASN 16.A ND2 ARG 74.A O.B no hydrogen 3.011 N/A ARG 17.A N ALA 13.A O no hydrogen 3.016 N/A LEU 18.A N.A ALA 14.A O no hydrogen 2.909 N/A LEU 18.A N.A VAL 15.A O no hydrogen 3.050 N/A LEU 18.A N.B ALA 14.A O no hydrogen 2.909 N/A VAL 19.A N VAL 15.A O no hydrogen 2.886 N/A ASN 20.A N ASN 16.A O no hydrogen 3.193 N/A ASN 20.A ND2 ASP 79.A O no hydrogen 2.886 N/A LEU 21.A N.A ARG 17.A O no hydrogen 2.938 N/A LEU 21.A N.B ARG 17.A O no hydrogen 2.936 N/A HIS 22.A N LEU 18.A O.A no hydrogen 3.067 N/A HIS 22.A N LEU 18.A O.B no hydrogen 2.900 N/A HIS 22.A ND1 LEU 18.A O.A no hydrogen 2.758 N/A HIS 22.A ND1 LEU 18.A O.B no hydrogen 2.934 N/A LEU 23.A N VAL 19.A O no hydrogen 2.948 N/A ARG 24.A N ASN 20.A O no hydrogen 2.834 N/A ALA 25.A N LEU 21.A O.A no hydrogen 2.981 N/A ALA 25.A N LEU 21.A O.B no hydrogen 3.031 N/A SER 26.A N HIS 22.A O no hydrogen 2.880 N/A SER 26.A OG ALA 54.A O no hydrogen 2.756 N/A TYR 27.A N LEU 23.A O no hydrogen 2.894 N/A THR 28.A N ARG 24.A O no hydrogen 2.965 N/A THR 28.A OG1 ARG 24.A O no hydrogen 3.064 N/A TYR 29.A N ALA 25.A O no hydrogen 2.925 N/A TYR 29.A OH GLU 102.A OE2 no hydrogen 2.610 N/A LEU 30.A N SER 26.A O no hydrogen 2.942 N/A SER 31.A N TYR 27.A O no hydrogen 3.026 N/A LEU 32.A N THR 28.A O no hydrogen 2.877 N/A GLY 33.A N TYR 29.A O no hydrogen 2.820 N/A PHE 34.A N LEU 30.A O no hydrogen 3.061 N/A PHE 35.A N SER 31.A O no hydrogen 2.916 N/A PHE 36.A N LEU 32.A O no hydrogen 3.187 N/A ASP 37.A N PHE 34.A O no hydrogen 3.210 N/A ARG 38.A N.A PHE 35.A O no hydrogen 3.057 N/A ARG 38.A N.B PHE 35.A O no hydrogen 3.067 N/A ARG 38.A NE.A ASP 40.A OD1 no hydrogen 2.885 N/A ARG 38.A NE.B ASP 40.A OD1 no hydrogen 2.862 N/A ARG 38.A NH2.A ASP 40.A OD1 no hydrogen 3.312 N/A ARG 38.A NH2.A ASP 40.A OD2 no hydrogen 2.906 N/A ARG 38.A NH2.B ASP 40.A OD2 no hydrogen 3.242 N/A VAL 41.A N ARG 38.A O.A no hydrogen 2.936 N/A VAL 41.A N ARG 38.A O.B no hydrogen 3.155 N/A ALA 42.A N ARG 38.A O.B no hydrogen 2.821 N/A LEU 43.A N PHE 36.A O no hydrogen 2.958 N/A GLY 45.A N GLU 162.A OE2 no hydrogen 2.748 N/A GLY 47.A N LEU 43.A O no hydrogen 3.020 N/A HIS 48.A N.A GLU 44.A O no hydrogen 2.898 N/A HIS 48.A N.B GLU 44.A O no hydrogen 2.894 N/A HIS 48.A NE2.B GLU 44.A OE2 no hydrogen 2.860 N/A PHE 49.A N GLY 45.A O no hydrogen 3.023 N/A PHE 50.A N VAL 46.A O no hydrogen 3.106 N/A ARG 51.A N GLY 47.A O no hydrogen 2.889 N/A GLU 52.A N.A HIS 48.A O.A no hydrogen 2.970 N/A GLU 52.A N.A HIS 48.A O.B no hydrogen 2.880 N/A GLU 52.A N.B HIS 48.A O.A no hydrogen 3.000 N/A GLU 52.A N.B HIS 48.A O.B no hydrogen 2.909 N/A LEU 53.A N PHE 49.A O no hydrogen 3.276 N/A ALA 54.A N PHE 50.A O no hydrogen 2.911 N/A GLU 55.A N.A ARG 51.A O no hydrogen 3.256 N/A GLU 55.A N.B ARG 51.A O no hydrogen 3.269 N/A GLU 55.A N.B GLU 52.A O.A no hydrogen 3.089 N/A GLU 56.A N GLU 52.A O.A no hydrogen 3.024 N/A GLU 56.A N GLU 52.A O.B no hydrogen 3.058 N/A LYS 57.A N LEU 53.A O no hydrogen 2.890 N/A LYS 57.A NZ GLU 102.A OE1 no hydrogen 2.894 N/A LYS 57.A NZ GLU 102.A OE2 no hydrogen 3.372 N/A ARG 58.A N ALA 54.A O no hydrogen 3.104 N/A ARG 58.A NH1.B GLU 62.A OE2 no hydrogen 2.985 N/A ARG 58.A NH2.B GLU 55.A OE1.B no hydrogen 2.490 N/A GLU 59.A N GLU 55.A O.A no hydrogen 2.905 N/A GLU 59.A N GLU 55.A O.B no hydrogen 2.857 N/A GLY 60.A N GLU 56.A O no hydrogen 2.972 N/A ALA 61.A N LYS 57.A O no hydrogen 3.003 N/A GLU 62.A N ARG 58.A O no hydrogen 2.922 N/A ARG 63.A N GLU 59.A O no hydrogen 2.873 N/A LEU 64.A N GLY 60.A O no hydrogen 3.111 N/A LEU 65.A N ALA 61.A O no hydrogen 2.985 N/A GLU 66.A N GLU 62.A O no hydrogen 2.973 N/A PHE 67.A N ARG 63.A O no hydrogen 3.043 N/A GLN 68.A N LEU 64.A O no hydrogen 2.918 N/A GLN 68.A NE2 GLU 12.A O no hydrogen 3.045 N/A GLN 68.A NE2 ASN 16.A OD1 no hydrogen 2.985 N/A ASN 69.A N LEU 65.A O no hydrogen 3.124 N/A ASP 70.A N GLU 66.A O no hydrogen 2.789 N/A ARG 71.A N PHE 67.A O no hydrogen 2.971 N/A ARG 71.A NH1 ASP 121.A OD1 no hydrogen 2.859 N/A ARG 71.A NH1 ASP 121.A OD2 no hydrogen 3.438 N/A ARG 71.A NH1 HIS 123.A ND1 no hydrogen 3.199 N/A ARG 71.A NH2 GLN 5.A O no hydrogen 3.103 N/A ARG 71.A NH2 ASP 121.A OD1 no hydrogen 3.391 N/A ARG 71.A NH2 ASP 121.A OD2 no hydrogen 3.419 N/A GLY 72.A N ASN 69.A O no hydrogen 3.101 N/A GLY 73.A N GLN 68.A O no hydrogen 2.949 N/A ARG 74.A N.A GLU 12.A OE2 no hydrogen 2.850 N/A ARG 74.A N.B GLU 12.A OE2 no hydrogen 2.816 N/A LEU 76.A N ASN 16.A OD1 no hydrogen 3.290 N/A GLN 85.A NE2 GLU 87.A O no hydrogen 3.009 N/A TRP 88.A NE1 SER 31.A OG no hydrogen 2.966 N/A LYS 90.A N GLU 93.A OE2.A no hydrogen 2.872 N/A THR 91.A N GLU 158.A OE2 no hydrogen 2.833 N/A THR 91.A OG1 GLU 158.A OE2 no hydrogen 2.715 N/A GLN 92.A NE2 GLU 96.A OE2 no hydrogen 3.044 N/A ALA 94.A N LYS 90.A O no hydrogen 3.027 N/A MET 95.A N THR 91.A O no hydrogen 2.832 N/A GLU 96.A N GLN 92.A O no hydrogen 2.872 N/A ALA 97.A N GLU 93.A O no hydrogen 2.981 N/A ALA 98.A N ALA 94.A O no hydrogen 2.915 N/A LEU 99.A N MET 95.A O no hydrogen 2.905 N/A ALA 100.A N GLU 96.A O no hydrogen 3.022 N/A MET 101.A N ALA 97.A O no hydrogen 3.013 N/A GLU 102.A N ALA 98.A O no hydrogen 2.887 N/A LYS 103.A N LEU 99.A O no hydrogen 2.865 N/A ASN 104.A N ALA 100.A O no hydrogen 2.971 N/A LEU 105.A N MET 101.A O no hydrogen 2.947 N/A ASN 106.A N GLU 102.A O no hydrogen 2.775 N/A GLN 107.A N LYS 103.A O no hydrogen 2.900 N/A GLN 107.A NE2 ASP 111.A OD1 no hydrogen 2.927 N/A ALA 108.A N ASN 104.A O no hydrogen 3.024 N/A LEU 109.A N LEU 105.A O no hydrogen 2.947 N/A LEU 110.A N ASN 106.A O no hydrogen 2.819 N/A ASP 111.A N GLN 107.A O no hydrogen 2.791 N/A LEU 112.A N ALA 108.A O no hydrogen 2.970 N/A HIS 113.A N.A LEU 109.A O no hydrogen 2.888 N/A HIS 113.A N.B LEU 109.A O no hydrogen 2.886 N/A HIS 113.A NE2.A GLU 129.A OE2.B no hydrogen 2.698 N/A ALA 114.A N LEU 110.A O no hydrogen 2.858 N/A LEU 115.A N ASP 111.A O no hydrogen 2.988 N/A GLY 116.A N LEU 112.A O no hydrogen 2.887 N/A SER 117.A N HIS 113.A O.A no hydrogen 2.932 N/A SER 117.A N HIS 113.A O.B no hydrogen 2.833 N/A SER 117.A OG.A HIS 113.A O.A no hydrogen 2.997 N/A SER 117.A OG.A HIS 113.A O.B no hydrogen 3.114 N/A ALA 118.A N ALA 114.A O no hydrogen 2.926 N/A ARG 119.A N LEU 115.A O no hydrogen 2.878 N/A ARG 119.A NH1 GLU 10.A OE1.A no hydrogen 3.022 N/A ARG 119.A NH1 GLU 10.A OE1.B no hydrogen 2.486 N/A ALA 120.A N SER 117.A O no hydrogen 3.074 N/A ASP 121.A N GLY 116.A O no hydrogen 2.838 N/A LEU 124.A N ASP 121.A OD1 no hydrogen 3.062 N/A CYS 125.A N ASP 121.A O no hydrogen 3.125 N/A CYS 125.A SG HIS 113.A O.A no hydrogen 3.662 N/A CYS 125.A SG HIS 113.A O.B no hydrogen 3.718 N/A CYS 125.A SG ASP 121.A O no hydrogen 3.486 N/A ASP 126.A N.A PRO 122.A O no hydrogen 2.922 N/A ASP 126.A N.B PRO 122.A O no hydrogen 2.940 N/A PHE 127.A N HIS 123.A O no hydrogen 3.022 N/A LEU 128.A N LEU 124.A O no hydrogen 3.029 N/A GLU 129.A N.A CYS 125.A O no hydrogen 2.987 N/A GLU 129.A N.B CYS 125.A O no hydrogen 2.967 N/A SER 130.A N ASP 126.A O.A no hydrogen 2.851 N/A SER 130.A N ASP 126.A O.B no hydrogen 2.850 N/A SER 130.A OG ASP 126.A O.A no hydrogen 2.822 N/A SER 130.A OG ASP 126.A O.B no hydrogen 2.759 N/A SER 130.A OG ASP 126.A OD1.A no hydrogen 3.305 N/A SER 130.A OG ASP 126.A OD1.B no hydrogen 3.229 N/A HIS 131.A N PHE 127.A O no hydrogen 3.094 N/A TYR 132.A N LEU 128.A O no hydrogen 2.910 N/A TYR 132.A OH GLY 60.A O no hydrogen 2.679 N/A LEU 133.A N LEU 128.A O no hydrogen 2.910 N/A LYS 135.A NZ.A GLU 56.A OE2 no hydrogen 3.151 N/A LYS 135.A NZ.B HIS 131.A O no hydrogen 2.700 N/A GLU 136.A N.A TYR 132.A O no hydrogen 2.977 N/A GLU 136.A N.B TYR 132.A O no hydrogen 2.970 N/A VAL 137.A N LEU 133.A O no hydrogen 3.037 N/A LYS 138.A N ASP 134.A O no hydrogen 2.870 N/A LEU 139.A N LYS 135.A O.A no hydrogen 2.933 N/A LEU 139.A N LYS 135.A O.B no hydrogen 3.113 N/A ILE 140.A N GLU 136.A O.A no hydrogen 2.990 N/A ILE 140.A N GLU 136.A O.B no hydrogen 2.870 N/A LYS 141.A N VAL 137.A O no hydrogen 2.979 N/A LYS 141.A NZ ASN 145.A OD1 no hydrogen 2.803 N/A LYS 142.A N.A LYS 138.A O no hydrogen 2.994 N/A LYS 142.A N.B LYS 138.A O no hydrogen 2.994 N/A MET 143.A N LEU 139.A O no hydrogen 2.876 N/A GLY 144.A N ILE 140.A O no hydrogen 2.910 N/A ASN 145.A N LYS 141.A O no hydrogen 2.930 N/A HIS 146.A N LYS 142.A O.A no hydrogen 2.924 N/A HIS 146.A N LYS 142.A O.B no hydrogen 2.888 N/A LEU 147.A N MET 143.A O no hydrogen 2.864 N/A THR 148.A N GLY 144.A O no hydrogen 2.951 N/A THR 148.A OG1 GLY 144.A O no hydrogen 3.218 N/A ASN 149.A N ASN 145.A O no hydrogen 3.069 N/A ASN 149.A ND2 ASN 145.A O no hydrogen 3.061 N/A LEU 150.A N HIS 146.A O no hydrogen 2.823 N/A ARG 151.A N LEU 147.A O no hydrogen 2.913 N/A ARG 151.A NH2 GLU 96.A OE2 no hydrogen 2.968 N/A ARG 152.A N THR 148.A O no hydrogen 2.934 N/A ARG 152.A NH1 ASN 149.A OD1 no hydrogen 2.879 N/A VAL 153.A N ASN 149.A O no hydrogen 2.972 N/A ALA 154.A N ARG 151.A O no hydrogen 3.293 N/A TYR 159.A N SER 155.A O no hydrogen 3.233 N/A LEU 160.A N LEU 156.A O no hydrogen 2.957 N/A PHE 161.A N GLY 157.A O no hydrogen 2.860 N/A GLU 162.A N GLU 158.A O no hydrogen 3.137 N/A ARG 163.A N TYR 159.A O no hydrogen 2.930 N/A ARG 163.A NE GLU 162.A OE1 no hydrogen 2.816 N/A ARG 163.A NH2 GLU 162.A OE1 no hydrogen 3.381 N/A ARG 163.A NH2 GLU 162.A OE2 no hydrogen 2.899 N/A LEU 164.A N LEU 160.A O no hydrogen 2.847 N/A THR 165.A N PHE 161.A O no hydrogen 2.890 N/A LEU 166.A N PHE 161.A O no hydrogen 3.327 N/A