Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pje_F.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N ALA 22.A O no hydrogen 2.821 N/A GLN 4.A N GLU 104.A OE1.A no hydrogen 3.005 N/A GLN 4.A NE2 TYR 87.A O no hydrogen 2.875 N/A GLN 4.A NE2 SER 106.A OG no hydrogen 2.930 N/A THR 5.A N GLN 20.A O no hydrogen 3.044 N/A GLN 9.A N ARG 107.A O.A no hydrogen 2.956 N/A GLN 9.A N ARG 107.A O.B no hydrogen 2.961 N/A GLN 9.A NE2 VAL 10.A O no hydrogen 3.054 N/A LEU 11.A N THR 109.A O no hydrogen 2.865 N/A LYS 12.A N GLN 15.A OE1 no hydrogen 3.023 N/A THR 13.A N LEU 111.A O.A no hydrogen 2.745 N/A THR 13.A N LEU 111.A O.B no hydrogen 2.766 N/A THR 13.A OG1 LEU 111.A O.B no hydrogen 3.171 N/A GLY 14.A N ALA 79.A O no hydrogen 2.814 N/A GLN 15.A N LYS 12.A O no hydrogen 3.045 N/A SER 16.A OG GLU 77.A O no hydrogen 2.694 N/A MET 17.A N LEU 76.A O.A no hydrogen 3.006 N/A MET 17.A N LEU 76.A O.B no hydrogen 3.014 N/A LEU 19.A N LEU 74.A O no hydrogen 2.717 N/A GLN 20.A N THR 5.A O no hydrogen 2.922 N/A ALA 22.A N THR 3.A O no hydrogen 2.865 N/A GLN 23.A N ARG 70.A O no hydrogen 2.949 N/A GLN 23.A NE2 HIS 27.A O no hydrogen 3.152 N/A MET 25.A N GLN 23.A OE1 no hydrogen 3.052 N/A HIS 27.A N GLN 23.A OE1 no hydrogen 3.161 N/A HIS 27.A ND1 SER 91.A OG no hydrogen 2.857 N/A ASN 28.A N LEU 93.A O no hydrogen 3.288 N/A ASN 28.A ND2 LEU 93.A O no hydrogen 3.094 N/A SER 29.A N THR 92.A O no hydrogen 3.239 N/A SER 29.A OG ALA 48.A O no hydrogen 3.050 N/A SER 29.A OG GLY 94.A O no hydrogen 3.403 N/A MET 30.A N SER 47.A O no hydrogen 2.903 N/A TYR 31.A N ALA 90.A O no hydrogen 2.865 N/A TYR 31.A OH THR 92.A OG1 no hydrogen 3.191 N/A TRP 32.A N TYR 45.A O no hydrogen 3.019 N/A TRP 32.A NE1 PHE 72.A O no hydrogen 2.816 N/A TYR 33.A N PHE 88.A O no hydrogen 2.804 N/A TYR 33.A OH GLN 100.A OE1 no hydrogen 2.703 N/A ARG 34.A N ARG 42.A O no hydrogen 2.984 N/A ARG 34.A NE ASP 36.A OD2 no hydrogen 2.852 N/A ARG 34.A NH1 SER 82.A O no hydrogen 3.030 N/A ARG 34.A NH2 ASP 36.A OD1 no hydrogen 2.878 N/A ARG 34.A NH2 ASP 36.A OD2 no hydrogen 3.463 N/A ARG 34.A NH2 SER 82.A O no hydrogen 2.921 N/A GLN 35.A N VAL 86.A O no hydrogen 2.748 N/A MET 39.A N ASP 36.A O no hydrogen 3.446 N/A ARG 42.A N ARG 34.A O no hydrogen 3.094 N/A ARG 42.A NH2 ASP 36.A OD2 no hydrogen 2.996 N/A ILE 44.A N TRP 32.A O no hydrogen 2.776 N/A TYR 45.A OH TYR 62.A O no hydrogen 3.374 N/A TYR 46.A N ASP 54.A O no hydrogen 2.929 N/A SER 47.A N MET 30.A O no hydrogen 2.774 N/A SER 47.A OG SER 49.A O no hydrogen 3.053 N/A SER 47.A OG THR 52.A O no hydrogen 2.667 N/A SER 49.A OG GLU 50.A O no hydrogen 3.371 N/A THR 52.A N SER 49.A O no hydrogen 3.243 N/A ASP 54.A N TYR 46.A O no hydrogen 2.901 N/A GLY 56.A N ILE 44.A O no hydrogen 2.810 N/A GLU 57.A N LEU 43.A O no hydrogen 2.771 N/A VAL 58.A N LEU 43.A O no hydrogen 3.060 N/A TYR 62.A N PRO 59.A O no hydrogen 3.137 N/A TYR 62.A OH TYR 87.A OH no hydrogen 2.645 N/A ASN 63.A N ARG 75.A O.A no hydrogen 3.037 N/A ASN 63.A N ARG 75.A O.B no hydrogen 3.089 N/A SER 65.A N SER 73.A O no hydrogen 3.115 N/A ARG 66.A NE ASN 68.A O no hydrogen 2.930 N/A ARG 66.A NH1 ASN 28.A O no hydrogen 2.787 N/A ARG 66.A NH1 SER 47.A OG no hydrogen 2.781 N/A ARG 66.A NH2 ASN 28.A O no hydrogen 2.852 N/A ARG 66.A NH2 LYS 69.A O no hydrogen 2.813 N/A LEU 67.A N GLU 71.A O no hydrogen 3.004 N/A ASN 68.A ND2 GLU 71.A OE1 no hydrogen 2.814 N/A LYS 69.A NZ ASN 26.A OD1 no hydrogen 2.748 N/A ARG 70.A N ASN 68.A OD1 no hydrogen 2.863 N/A ARG 70.A NE ASP 24.A OD1 no hydrogen 2.656 N/A ARG 70.A NH2 ASP 24.A OD2 no hydrogen 3.002 N/A GLU 71.A N ASN 68.A OD1 no hydrogen 2.869 N/A PHE 72.A N CYS 21.A O no hydrogen 2.997 N/A SER 73.A N SER 65.A O no hydrogen 2.938 N/A SER 73.A OG SER 65.A O no hydrogen 3.567 N/A LEU 74.A N LEU 19.A O no hydrogen 2.964 N/A ARG 75.A N.A ASN 63.A O no hydrogen 2.792 N/A ARG 75.A N.B ASN 63.A O no hydrogen 2.813 N/A ARG 75.A NH1.A THR 18.A OG1 no hydrogen 2.729 N/A ARG 75.A NH1.B SER 65.A OG no hydrogen 2.751 N/A ARG 75.A NH2.B SER 65.A OG no hydrogen 2.886 N/A LEU 76.A N.A MET 17.A O no hydrogen 2.859 N/A LEU 76.A N.B MET 17.A O no hydrogen 2.851 N/A ALA 79.A N GLN 15.A O no hydrogen 2.790 N/A ALA 80.A N GLN 83.A OE1 no hydrogen 3.007 N/A GLN 83.A N ALA 80.A O no hydrogen 2.819 N/A GLN 83.A NE2 GLY 61.A O no hydrogen 3.015 N/A THR 84.A N PRO 81.A O no hydrogen 3.078 N/A THR 84.A OG1 PRO 81.A O no hydrogen 3.032 N/A SER 85.A N LEU 108.A O.A no hydrogen 3.019 N/A SER 85.A N LEU 108.A O.B no hydrogen 3.135 N/A SER 85.A OG GLN 35.A O no hydrogen 3.016 N/A SER 85.A OG ASP 36.A OD1 no hydrogen 2.766 N/A SER 85.A OG ASP 36.A OD2 no hydrogen 3.497 N/A SER 85.A OG VAL 86.A O no hydrogen 3.567 N/A VAL 86.A N GLN 35.A O no hydrogen 3.429 N/A TYR 87.A N SER 106.A O no hydrogen 2.809 N/A TYR 87.A OH TYR 62.A OH no hydrogen 2.645 N/A TYR 87.A OH GLN 83.A O no hydrogen 2.572 N/A PHE 88.A N TYR 33.A O no hydrogen 2.885 N/A CYS 89.A N GLN 4.A OE1 no hydrogen 2.904 N/A CYS 89.A SG TYR 31.A O no hydrogen 3.661 N/A CYS 89.A SG ALA 90.A O no hydrogen 3.994 N/A ALA 90.A N TYR 31.A O no hydrogen 2.895 N/A SER 91.A N HIS 101.A O no hydrogen 2.892 N/A SER 91.A OG HIS 27.A ND1 no hydrogen 2.857 N/A THR 92.A N SER 29.A O no hydrogen 2.967 N/A THR 92.A OG1 TYR 31.A OH no hydrogen 3.191 N/A THR 92.A OG1 GLY 94.A O no hydrogen 2.556 N/A GLU 96.A N GLN 98.A OE1 no hydrogen 3.022 N/A GLN 98.A N GLN 98.A OE1 no hydrogen 2.928 N/A HIS 101.A N SER 91.A O no hydrogen 2.853 N/A GLY 103.A N CYS 89.A O no hydrogen 2.759 N/A GLU 104.A N.A GLU 104.A OE1.A no hydrogen 2.820 N/A SER 106.A N TYR 87.A O no hydrogen 2.847 N/A SER 106.A OG PRO 6.A O no hydrogen 2.666 N/A ARG 107.A N.A LYS 7.A O no hydrogen 2.805 N/A ARG 107.A N.B LYS 7.A O no hydrogen 2.796 N/A ARG 107.A NH1.B ASP 150.A OD2 no hydrogen 3.337 N/A LEU 108.A N.A SER 85.A O no hydrogen 3.031 N/A LEU 108.A N.B SER 85.A O no hydrogen 2.886 N/A THR 109.A N GLN 9.A O no hydrogen 2.990 N/A THR 109.A OG1 HIS 151.A NE2 no hydrogen 2.735 N/A VAL 110.A N THR 84.A OG1 no hydrogen 2.889 N/A LEU 111.A N.A LEU 11.A O no hydrogen 2.807 N/A LEU 111.A N.B LEU 11.A O no hydrogen 2.818 N/A LYS 115.A N ASP 113.A OD1.A no hydrogen 3.142 N/A LYS 115.A N ASP 113.A OD1.B no hydrogen 3.127 N/A ASN 116.A ND2 ASP 182.A O no hydrogen 2.753 N/A VAL 117.A N LEU 114.A O no hydrogen 3.165 N/A PHE 118.A N TYR 148.A O no hydrogen 2.854 N/A GLU 121.A N THR 145.A O no hydrogen 2.883 N/A ALA 123.A N LEU 143.A O no hydrogen 2.989 N/A PHE 125.A N VAL 141.A O no hydrogen 2.753 N/A GLU 131.A N SER 128.A OG no hydrogen 3.227 N/A ILE 132.A N SER 128.A O no hydrogen 3.231 N/A SER 133.A N GLU 129.A O no hydrogen 3.089 N/A SER 133.A OG GLU 129.A O no hydrogen 3.352 N/A SER 133.A OG ALA 130.A O no hydrogen 3.289 N/A HIS 134.A N ALA 130.A O no hydrogen 2.994 N/A THR 135.A N GLU 131.A O no hydrogen 2.768 N/A THR 135.A OG1 GLU 131.A O no hydrogen 2.689 N/A GLN 136.A N ILE 132.A O no hydrogen 2.839 N/A LYS 137.A N THR 135.A OG1 no hydrogen 3.166 N/A ALA 138.A N VAL 193.A O no hydrogen 2.777 N/A THR 139.A N GLU 131.A OE1 no hydrogen 2.866 N/A THR 139.A OG1 GLU 131.A OE1 no hydrogen 3.387 N/A THR 139.A OG1 GLU 131.A OE2 no hydrogen 2.588 N/A LEU 140.A N LEU 191.A O no hydrogen 2.769 N/A VAL 141.A N PHE 125.A O no hydrogen 3.050 N/A CYS 142.A N SER 189.A O no hydrogen 2.809 N/A CYS 142.A SG ALA 123.A O no hydrogen 3.909 N/A LEU 143.A N ALA 123.A O no hydrogen 2.898 N/A ALA 144.A N LEU 187.A O no hydrogen 2.826 N/A THR 145.A N GLU 121.A O no hydrogen 2.844 N/A GLY 146.A N GLU 176.A OE2 no hydrogen 3.015 N/A PHE 147.A N TYR 185.A O no hydrogen 3.247 N/A TYR 148.A N PHE 118.A O no hydrogen 2.930 N/A HIS 151.A N PRO 149.A O no hydrogen 2.911 N/A HIS 151.A NE2 THR 109.A OG1 no hydrogen 2.735 N/A GLU 153.A N GLN 210.A O no hydrogen 2.942 N/A SER 155.A N GLN 208.A O no hydrogen 2.812 N/A TRP 156.A NE1 SER 189.A OG no hydrogen 2.758 N/A TRP 157.A N ARG 206.A O no hydrogen 2.775 N/A TRP 157.A NE1 SER 155.A OG no hydrogen 2.750 N/A VAL 158.A N LYS 161.A O no hydrogen 2.799 N/A ASN 159.A N HIS 204.A O no hydrogen 2.887 N/A ASN 159.A ND2 ASN 203.A OD1 no hydrogen 2.982 N/A LYS 161.A N VAL 158.A O no hydrogen 3.153 N/A VAL 163.A N TRP 156.A O no hydrogen 2.969 N/A VAL 167.A N HIS 164.A O no hydrogen 3.314 N/A CYS 168.A N.A ARG 190.A O no hydrogen 3.065 N/A CYS 168.A N.B ARG 190.A O no hydrogen 3.084 N/A THR 169.A OG1 SER 189.A OG no hydrogen 2.731 N/A ASP 170.A N SER 188.A O no hydrogen 3.055 N/A LEU 174.A N ALA 186.A O no hydrogen 2.815 N/A GLU 176.A N ARG 184.A O no hydrogen 2.948 N/A GLN 177.A N SER 183.A OG no hydrogen 2.871 N/A LEU 180.A N GLN 177.A O no hydrogen 3.006 N/A SER 183.A N LEU 180.A O no hydrogen 3.338 N/A SER 183.A OG ARG 184.A O no hydrogen 2.878 N/A ARG 184.A N GLN 177.A OE1 no hydrogen 2.983 N/A ARG 184.A NE ASN 116.A OD1 no hydrogen 2.942 N/A ARG 184.A NH1 ASN 116.A OD1 no hydrogen 3.035 N/A TYR 185.A N PHE 147.A O no hydrogen 2.757 N/A ALA 186.A N LEU 174.A O no hydrogen 2.970 N/A LEU 187.A N ALA 144.A O no hydrogen 2.800 N/A SER 188.A N ASP 170.A OD2 no hydrogen 2.782 N/A SER 188.A OG ASP 170.A OD1 no hydrogen 3.025 N/A SER 188.A OG ASP 170.A OD2 no hydrogen 2.636 N/A SER 189.A N CYS 142.A O no hydrogen 2.965 N/A SER 189.A OG CYS 168.A O.A no hydrogen 3.407 N/A SER 189.A OG CYS 168.A O.B no hydrogen 3.262 N/A SER 189.A OG THR 169.A OG1 no hydrogen 2.731 N/A ARG 190.A N CYS 168.A O.A no hydrogen 2.880 N/A ARG 190.A N CYS 168.A O.B no hydrogen 2.826 N/A ARG 190.A NH1 ASP 170.A OD1 no hydrogen 3.313 N/A ARG 190.A NH2 CYS 168.A O.A no hydrogen 3.549 N/A ARG 190.A NH2 ASP 170.A OD1 no hydrogen 2.887 N/A LEU 191.A N LEU 140.A O no hydrogen 2.974 N/A ARG 192.A N GLY 166.A O no hydrogen 2.789 N/A ARG 192.A NE GLU 131.A OE2 no hydrogen 2.979 N/A ARG 192.A NH2 GLU 131.A OE2 no hydrogen 2.947 N/A VAL 193.A N ALA 138.A O no hydrogen 2.938 N/A SER 194.A OG THR 196.A OG1 no hydrogen 3.283 N/A ALA 195.A N GLN 136.A O no hydrogen 2.922 N/A THR 196.A OG1 SER 194.A OG no hydrogen 3.283 N/A PHE 197.A N SER 194.A OG no hydrogen 3.180 N/A TRP 198.A N SER 194.A O no hydrogen 3.103 N/A GLN 199.A N ALA 195.A O no hydrogen 2.795 N/A ASN 200.A N PHE 197.A O no hydrogen 3.341 N/A ARG 202.A N ASN 200.A OD1 no hydrogen 3.060 N/A ASN 203.A N ASN 200.A O no hydrogen 3.245 N/A ASN 203.A ND2 PHE 197.A O no hydrogen 2.744 N/A HIS 204.A N ASN 159.A OD1 no hydrogen 2.829 N/A HIS 204.A NE2 GLU 235.A OE1 no hydrogen 2.769 N/A PHE 205.A N ALA 236.A O no hydrogen 2.827 N/A ARG 206.A N TRP 157.A O no hydrogen 2.819 N/A ARG 206.A NH1 GLN 208.A OE1 no hydrogen 2.890 N/A ARG 206.A NH1 SER 233.A OG no hydrogen 2.923 N/A ARG 206.A NH2 GLN 208.A OE1 no hydrogen 3.353 N/A CYS 207.A N ALA 234.A O no hydrogen 2.940 N/A GLN 208.A N SER 155.A O no hydrogen 2.808 N/A VAL 209.A N VAL 232.A O no hydrogen 2.810 N/A GLN 210.A N GLU 153.A O no hydrogen 2.785 N/A GLN 210.A NE2 PHE 211.A O no hydrogen 3.315 N/A PHE 211.A N GLN 230.A O no hydrogen 2.806 N/A TYR 212.A N HIS 151.A O no hydrogen 2.934 N/A TYR 212.A OH GLU 153.A OE1 no hydrogen 2.711 N/A GLY 213.A N THR 229.A OG1 no hydrogen 2.954 N/A LEU 214.A N PRO 227.A O no hydrogen 3.022 N/A SER 215.A N ASP 218.A OD2 no hydrogen 2.822 N/A SER 215.A OG ASP 218.A OD2 no hydrogen 3.137 N/A ASP 218.A N SER 215.A O no hydrogen 3.154 N/A TRP 220.A NE1 ARG 224.A O no hydrogen 2.856 N/A ARG 224.A NH1 VAL 117.A O no hydrogen 2.892 N/A ARG 224.A NH2 LYS 115.A O no hydrogen 2.720 N/A ARG 224.A NH2 VAL 117.A O no hydrogen 2.803 N/A LYS 226.A NZ SER 215.A O no hydrogen 3.013 N/A LYS 226.A NZ GLU 216.A O no hydrogen 3.142 N/A LYS 226.A NZ ASP 218.A O no hydrogen 2.727 N/A VAL 228.A N LYS 226.A O no hydrogen 2.856 N/A THR 229.A N LEU 214.A O no hydrogen 3.136 N/A GLN 230.A N PHE 211.A O no hydrogen 3.003 N/A GLN 230.A NE2 VAL 228.A O no hydrogen 2.907 N/A VAL 232.A N VAL 209.A O no hydrogen 2.920 N/A ALA 234.A N CYS 207.A O no hydrogen 3.071 N/A ALA 236.A N PHE 205.A O no hydrogen 2.876 N/A GLY 238.A N ASN 203.A O no hydrogen 2.902 N/A ARG 239.A N TRP 198.A O no hydrogen 3.074 N/A ARG 239.A NH1 GLU 126.A OE1 no hydrogen 3.095 N/A