Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ps1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 5.A N LYS 234.A O no hydrogen 2.969 N/A TYR 5.A OH ASP 159.A OD1 no hydrogen 2.526 N/A GLN 6.A NE2 ASP 87.A OD1 no hydrogen 3.033 N/A LYS 8.A N ASP 87.A OD2 no hydrogen 2.827 N/A SER 9.A N ASP 87.A OD2 no hydrogen 2.904 N/A SER 9.A OG PRO 11.A O no hydrogen 2.694 N/A ARG 12.A N HIS 57.A O no hydrogen 2.848 N/A ARG 12.A NH1 SER 9.A O no hydrogen 2.921 N/A ARG 12.A NH2 PRO 238.A O no hydrogen 3.296 N/A CYS 15.A N GLU 59.A O no hydrogen 2.872 N/A LEU 16.A N ILE 90.A O no hydrogen 2.855 N/A ILE 17.A N LYS 61.A O no hydrogen 2.914 N/A ILE 18.A N CYS 92.A O no hydrogen 2.769 N/A ASN 19.A N HIS 63.A O no hydrogen 2.835 N/A ASN 19.A ND2 ASP 64.A OD1 no hydrogen 3.375 N/A ASN 20.A N LEU 94.A O no hydrogen 2.888 N/A ASN 20.A ND2 CYS 66.A O no hydrogen 3.240 N/A ASN 20.A ND2 SER 95.A OG no hydrogen 3.248 N/A ASN 20.A ND2 TYR 103.A O no hydrogen 3.324 N/A HIS 21.A N ASP 65.A OD1 no hydrogen 2.806 N/A HIS 21.A NE2 ASN 40.A OD1 no hydrogen 2.882 N/A ASN 22.A N ASP 65.A OD1 no hydrogen 2.830 N/A PHE 23.A N ASP 38.A OD1 no hydrogen 3.022 N/A ALA 24.A N ASN 22.A OD1 no hydrogen 3.027 N/A LYS 25.A NZ GLU 28.A OE1 no hydrogen 2.724 N/A ALA 26.A N THR 105.A O no hydrogen 3.000 N/A ARG 27.A N PHE 23.A O no hydrogen 2.975 N/A ARG 27.A NH1 ILE 36.A O no hydrogen 2.849 N/A ARG 27.A NH1 ASP 38.A OD1 no hydrogen 2.892 N/A ARG 27.A NH2 ASP 38.A OD1 no hydrogen 2.949 N/A GLU 28.A N ALA 24.A O no hydrogen 3.043 N/A GLU 28.A N LYS 25.A O no hydrogen 3.141 N/A LYS 29.A N LYS 25.A O no hydrogen 2.880 N/A LYS 29.A N ALA 26.A O no hydrogen 3.287 N/A LYS 29.A NZ GLU 28.A OE2 no hydrogen 3.570 N/A VAL 30.A N ALA 26.A O no hydrogen 3.074 N/A LEU 33.A N VAL 30.A O no hydrogen 2.785 N/A HIS 34.A N PRO 31.A O no hydrogen 3.244 N/A SER 35.A OG.A HIS 34.A ND1 no hydrogen 2.861 N/A ILE 36.A N LEU 33.A O no hydrogen 3.036 N/A ARG 39.A N HIS 21.A O no hydrogen 2.889 N/A ARG 39.A NH1 ASN 20.A O no hydrogen 2.880 N/A ARG 39.A NH1 THR 42.A OG1 no hydrogen 2.996 N/A ASN 40.A N ASP 38.A O no hydrogen 3.011 N/A THR 42.A N ARG 39.A O no hydrogen 3.005 N/A THR 42.A OG1 ASN 19.A OD1 no hydrogen 2.581 N/A LEU 44.A N GLY 41.A O no hydrogen 3.015 N/A ALA 46.A N THR 42.A O no hydrogen 2.963 N/A GLY 47.A N HIS 43.A O no hydrogen 2.964 N/A ALA 48.A N LEU 44.A O no hydrogen 3.060 N/A LEU 49.A N ASP 45.A O no hydrogen 2.925 N/A THR 50.A N ALA 46.A O no hydrogen 2.853 N/A THR 50.A OG1 ALA 46.A O no hydrogen 2.783 N/A THR 51.A N GLY 47.A O no hydrogen 3.035 N/A THR 51.A OG1 GLY 47.A O no hydrogen 3.257 N/A THR 52.A N ALA 48.A O no hydrogen 2.897 N/A THR 52.A OG1 ALA 48.A O no hydrogen 2.742 N/A PHE 53.A N LEU 49.A O no hydrogen 2.854 N/A GLU 54.A N THR 50.A O no hydrogen 2.756 N/A GLU 55.A N THR 51.A O no hydrogen 3.107 N/A LEU 56.A N THR 52.A O no hydrogen 3.266 N/A HIS 57.A N GLU 54.A O no hydrogen 2.903 N/A PHE 58.A N PHE 53.A O no hydrogen 2.938 N/A GLU 59.A N GLY 13.A O no hydrogen 2.966 N/A LYS 61.A N CYS 15.A O no hydrogen 2.883 N/A LYS 61.A NZ GLU 59.A OE2 no hydrogen 3.090 N/A HIS 63.A N ILE 17.A O no hydrogen 2.769 N/A ASP 65.A N ASN 19.A O no hydrogen 2.942 N/A CYS 66.A N ASN 20.A OD1 no hydrogen 2.771 N/A CYS 66.A SG HIS 63.A O no hydrogen 3.623 N/A CYS 66.A SG GLN 70.A OE1 no hydrogen 3.527 N/A VAL 68.A N ASP 106.A OD1 no hydrogen 3.132 N/A GLN 70.A N THR 67.A OG1 no hydrogen 3.063 N/A ILE 71.A N THR 67.A O no hydrogen 2.934 N/A TYR 72.A N VAL 68.A O no hydrogen 3.033 N/A GLU 73.A N GLU 69.A O no hydrogen 2.981 N/A ILE 74.A N GLN 70.A O no hydrogen 2.805 N/A LEU 75.A N ILE 71.A O no hydrogen 2.924 N/A LYS 76.A N TYR 72.A O no hydrogen 2.970 N/A LYS 76.A NZ GLN 79.A OE1 no hydrogen 2.522 N/A ILE 77.A N GLU 73.A O no hydrogen 3.059 N/A TYR 78.A N ILE 74.A O no hydrogen 3.114 N/A GLN 79.A N LEU 75.A O no hydrogen 2.691 N/A GLN 79.A NE2 LYS 123.A O no hydrogen 2.849 N/A LEU 80.A N LYS 76.A O no hydrogen 2.939 N/A MET 81.A N TYR 78.A O no hydrogen 3.269 N/A HIS 83.A N SER 126.A OG no hydrogen 2.919 N/A HIS 83.A NE2 TYR 78.A O no hydrogen 2.799 N/A SER 84.A N ASP 82.A OD1 no hydrogen 2.881 N/A SER 84.A OG.A ASP 82.A OD1 no hydrogen 3.095 N/A SER 84.A OG.A ASP 82.A OD2 no hydrogen 3.350 N/A SER 84.A OG.B ASP 82.A OD1 no hydrogen 2.497 N/A MET 86.A N HIS 83.A O no hydrogen 2.926 N/A ASP 87.A N ARG 12.A O no hydrogen 2.744 N/A CYS 88.A SG PHE 89.A O no hydrogen 4.024 N/A CYS 88.A SG PRO 131.A O no hydrogen 3.629 N/A PHE 89.A N PRO 131.A O no hydrogen 3.104 N/A ILE 90.A N TYR 14.A O no hydrogen 3.022 N/A CYS 91.A N VAL 133.A O no hydrogen 2.768 N/A CYS 92.A N LEU 16.A O no hydrogen 2.799 N/A ILE 93.A N PHE 135.A O no hydrogen 2.909 N/A LEU 94.A N ILE 18.A O no hydrogen 2.851 N/A SER 95.A N GLN 137.A O no hydrogen 2.992 N/A SER 95.A OG HIS 96.A O no hydrogen 3.498 N/A SER 95.A OG TYR 103.A O no hydrogen 2.629 N/A HIS 96.A NE2 ARG 37.A O no hydrogen 2.785 N/A ASP 98.A N ILE 101.A O no hydrogen 3.253 N/A LYS 99.A N ASP 98.A OD1 no hydrogen 2.686 N/A GLY 100.A N GLN 140.A OE1 no hydrogen 2.888 N/A ILE 101.A N ASP 98.A O no hydrogen 2.931 N/A ILE 102.A N ALA 110.A O no hydrogen 2.980 N/A TYR 103.A N HIS 96.A O no hydrogen 2.848 N/A GLY 104.A N GLN 108.A O no hydrogen 2.966 N/A THR 105.A N CYS 66.A O no hydrogen 2.981 N/A GLY 107.A N GLY 104.A O no hydrogen 2.923 N/A GLN 108.A N ASP 106.A OD1 no hydrogen 3.380 N/A ALA 110.A N ILE 102.A O no hydrogen 2.847 N/A ILE 112.A N GLY 100.A O no hydrogen 2.911 N/A TYR 113.A OH GLU 157.A OE2 no hydrogen 3.429 N/A GLU 114.A N PRO 111.A O no hydrogen 2.938 N/A LEU 115.A N ILE 112.A O no hydrogen 2.940 N/A THR 116.A N ILE 112.A O no hydrogen 3.073 N/A THR 116.A OG1 ILE 112.A O no hydrogen 3.522 N/A THR 116.A OG1 TYR 113.A O no hydrogen 3.360 N/A SER 117.A N TYR 113.A O no hydrogen 2.946 N/A SER 117.A OG TYR 113.A O no hydrogen 2.836 N/A GLN 118.A N LEU 115.A O no hydrogen 3.198 N/A GLN 118.A NE2 GLU 114.A O no hydrogen 2.709 N/A PHE 119.A N THR 116.A O no hydrogen 3.038 N/A GLY 121.A N ASP 156.A O no hydrogen 3.022 N/A LEU 122.A N ASP 156.A OD1 no hydrogen 2.843 N/A LYS 123.A N THR 120.A OG1 no hydrogen 3.193 N/A CYS 124.A N THR 120.A O no hydrogen 2.841 N/A CYS 124.A SG GLN 79.A O no hydrogen 3.514 N/A LEU 127.A N CYS 124.A O no hydrogen 3.053 N/A ALA 128.A N PRO 125.A O no hydrogen 3.034 N/A LYS 130.A N LEU 127.A O no hydrogen 2.961 N/A LYS 130.A NZ HIS 83.A O no hydrogen 2.991 N/A LYS 130.A NZ SER 84.A O no hydrogen 3.214 N/A LYS 130.A NZ MET 86.A O no hydrogen 2.841 N/A LYS 130.A NZ SER 126.A O no hydrogen 3.001 N/A LYS 132.A N ASP 159.A O no hydrogen 2.840 N/A LYS 132.A NZ LEU 127.A O no hydrogen 2.841 N/A LYS 132.A NZ LYS 130.A O no hydrogen 2.828 N/A VAL 133.A N PHE 89.A O no hydrogen 2.844 N/A PHE 134.A N LEU 161.A O no hydrogen 2.874 N/A PHE 135.A N CYS 91.A O no hydrogen 2.991 N/A ILE 136.A N GLY 163.A O no hydrogen 2.856 N/A GLN 137.A N ILE 93.A O no hydrogen 2.790 N/A GLN 137.A NE2 SER 172.A OG no hydrogen 2.921 N/A CYS 139.A SG SER 172.A O no hydrogen 3.728 N/A GLN 140.A N CYS 170.A O no hydrogen 2.879 N/A GLN 140.A NE2 ILE 101.A O no hydrogen 2.961 N/A GLN 140.A NE2 CYS 139.A O no hydrogen 2.921 N/A ASN 143.A N ASN 169.A O no hydrogen 3.099 N/A ASN 143.A ND2 ASN 169.A O no hydrogen 2.973 N/A ALA 158.A N PRO 155.A O no hydrogen 3.030 N/A ASP 159.A N THR 230.A O no hydrogen 3.003 N/A PHE 160.A N THR 230.A OG1 no hydrogen 2.954 N/A LEU 161.A N LYS 132.A O no hydrogen 2.921 N/A LEU 162.A N THR 228.A O no hydrogen 2.849 N/A GLY 163.A N PHE 134.A O no hydrogen 2.760 N/A MET 164.A N GLN 226.A O no hydrogen 3.289 N/A ALA 165.A N ILE 136.A O no hydrogen 3.048 N/A THR 166.A OG1 VAL 167.A O no hydrogen 2.821 N/A VAL 167.A N MET 224.A O no hydrogen 2.892 N/A ASN 169.A N GLN 140.A O no hydrogen 2.822 N/A CYS 170.A SG GLN 145.A OE1 no hydrogen 3.530 N/A CYS 170.A SG ASN 168.A O no hydrogen 3.864 N/A VAL 171.A N ASN 143.A O no hydrogen 2.918 N/A TYR 173.A N GLN 223.A OE1 no hydrogen 2.809 N/A TYR 173.A OH ASP 216.A OD2 no hydrogen 2.787 N/A ARG 174.A NH1 ASN 40.A O no hydrogen 3.004 N/A ASN 175.A N GLY 179.A O no hydrogen 2.931 N/A ALA 177.A N ASN 175.A OD1 no hydrogen 2.894 N/A GLU 178.A N ASN 175.A O no hydrogen 2.975 N/A GLY 179.A N ASN 175.A O no hydrogen 2.870 N/A THR 180.A N ASP 45.A OD1 no hydrogen 2.885 N/A THR 180.A OG1 ASP 45.A OD2 no hydrogen 2.629 N/A TRP 181.A N TYR 173.A O no hydrogen 3.128 N/A ILE 183.A N THR 180.A OG1 no hydrogen 3.137 N/A GLN 184.A N THR 180.A O no hydrogen 3.013 N/A GLN 184.A NE2 LEU 44.A O no hydrogen 3.247 N/A GLN 184.A NE2 ASP 45.A OD1 no hydrogen 2.848 N/A SER 185.A N TRP 181.A O no hydrogen 3.066 N/A SER 185.A OG.B TRP 181.A O no hydrogen 3.127 N/A LEU 186.A N TYR 182.A O no hydrogen 2.844 N/A CYS 187.A N ILE 183.A O no hydrogen 2.937 N/A CYS 187.A SG ILE 183.A O no hydrogen 3.514 N/A GLN 188.A N GLN 184.A O no hydrogen 3.122 N/A SER 189.A N SER 185.A O no hydrogen 2.941 N/A SER 189.A OG.A ILE 203.A O no hydrogen 3.526 N/A SER 189.A OG.A GLU 206.A OE2 no hydrogen 2.838 N/A SER 189.A OG.B SER 185.A O no hydrogen 3.294 N/A SER 189.A OG.B GLU 206.A OE2 no hydrogen 2.897 N/A LEU 190.A N LEU 186.A O no hydrogen 2.874 N/A ARG 191.A N CYS 187.A O no hydrogen 2.853 N/A GLU 192.A N GLN 188.A O no hydrogen 2.930 N/A ARG 193.A N SER 189.A O no hydrogen 2.844 N/A ARG 193.A NE GLU 206.A OE1 no hydrogen 2.913 N/A ARG 193.A NE GLU 206.A OE2 no hydrogen 2.921 N/A ARG 193.A NH1 ASP 198.A OD2 no hydrogen 2.731 N/A ARG 193.A NH2 GLU 206.A OE1 no hydrogen 2.695 N/A CYS 194.A N LEU 190.A O no hydrogen 2.907 N/A CYS 194.A SG LEU 190.A O no hydrogen 3.390 N/A ARG 196.A N ARG 193.A O no hydrogen 2.953 N/A GLY 197.A N CYS 194.A O no hydrogen 2.941 N/A ASP 198.A N ARG 193.A O no hydrogen 3.328 N/A ILE 200.A N LEU 235.A O no hydrogen 2.750 N/A LEU 201.A N ASP 199.A OD2 no hydrogen 3.071 N/A THR 202.A N ASP 199.A OD2 no hydrogen 3.495 N/A THR 202.A OG1 ASP 199.A OD1 no hydrogen 2.700 N/A ILE 203.A N ASP 199.A O no hydrogen 3.095 N/A LEU 204.A N ILE 200.A O no hydrogen 2.820 N/A THR 205.A N LEU 201.A O no hydrogen 2.947 N/A THR 205.A OG1 LEU 201.A O no hydrogen 2.850 N/A GLU 206.A N THR 202.A O no hydrogen 3.117 N/A VAL 207.A N ILE 203.A O no hydrogen 2.938 N/A ASN 208.A N LEU 204.A O no hydrogen 2.860 N/A TYR 209.A N THR 205.A O no hydrogen 2.920 N/A GLU 210.A N GLU 206.A O no hydrogen 2.813 N/A VAL 211.A N VAL 207.A O no hydrogen 2.919 N/A SER 212.A N ASN 208.A O no hydrogen 2.986 N/A SER 212.A OG ASN 208.A O no hydrogen 2.683 N/A ASN 213.A N GLU 210.A O no hydrogen 3.145 N/A LYS 214.A N VAL 211.A O no hydrogen 3.081 N/A ASP 216.A N GLY 221.A O no hydrogen 2.857 N/A ASN 219.A N ASP 216.A O no hydrogen 3.258 N/A ASN 219.A ND2 ASP 216.A OD2 no hydrogen 2.949 N/A MET 220.A N LYS 217.A O no hydrogen 3.146 N/A GLY 221.A N ASP 216.A O no hydrogen 2.764 N/A LYS 222.A N GLN 145.A O no hydrogen 2.834 N/A LYS 222.A NZ SER 212.A O no hydrogen 2.923 N/A LYS 222.A NZ LYS 214.A O no hydrogen 2.907 N/A LYS 222.A NZ ASP 215.A OD1 no hydrogen 2.763 N/A GLN 223.A NE2 ALA 165.A O no hydrogen 2.896 N/A GLN 226.A N MET 164.A O no hydrogen 2.913 N/A THR 228.A N LEU 162.A O no hydrogen 2.942 N/A THR 230.A N PHE 160.A O no hydrogen 2.773 N/A THR 230.A OG1 GLU 157.A O no hydrogen 2.771 N/A THR 230.A OG1 PHE 160.A O no hydrogen 3.565 N/A ARG 232.A N TYR 5.A OH no hydrogen 2.868 N/A ARG 232.A NE ASP 159.A OD1 no hydrogen 2.762 N/A ARG 232.A NE ASP 159.A OD2 no hydrogen 3.407 N/A ARG 232.A NH2 ASP 159.A OD1 no hydrogen 3.136 N/A ARG 232.A NH2 ASP 159.A OD2 no hydrogen 3.158 N/A LYS 234.A N LYS 3.A O no hydrogen 2.900 N/A