Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pjh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A N GLU 101.A OE2 no hydrogen 3.464 N/A ARG 1.A NH1 LEU 175.A O no hydrogen 3.127 N/A ARG 1.A NH1 ARG 177.A O no hydrogen 2.836 N/A ARG 1.A NH2 ARG 177.A O no hydrogen 3.218 N/A ARG 1.A NH2 THR 178.A OG1 no hydrogen 2.793 N/A ARG 1.A NH2 SER 254.A OG no hydrogen 3.061 N/A HIS 3.A N LEU 99.A O no hydrogen 3.050 N/A HIS 3.A ND1 ASP 28.A OD2 no hydrogen 2.580 N/A SER 4.A N ASP 28.A OD1 no hydrogen 2.878 N/A LEU 5.A N CYS 97.A O no hydrogen 3.001 N/A ARG 6.A N.A TYR 26.A O no hydrogen 2.930 N/A ARG 6.A N.B TYR 26.A O no hydrogen 2.953 N/A ARG 6.A NH1.B ASP 28.A O no hydrogen 2.813 N/A ARG 6.A NH2.B ASP 28.A O no hydrogen 2.706 N/A TYR 7.A N ILE 95.A O no hydrogen 2.839 N/A PHE 8.A N VAL 24.A O no hydrogen 2.819 N/A ARG 9.A N ARG 93.A O no hydrogen 2.882 N/A LEU 10.A N ILE 22.A O no hydrogen 2.817 N/A GLY 11.A N TYR 91.A O no hydrogen 2.770 N/A VAL 12.A N GLU 20.A O no hydrogen 2.873 N/A SER 13.A N HIS 89.A O no hydrogen 3.021 N/A SER 13.A OG GLN 80.A OE1 no hydrogen 2.688 N/A SER 13.A OG GLY 87.A O no hydrogen 3.231 N/A SER 13.A OG HIS 89.A O no hydrogen 3.422 N/A PHE 21.A N SER 37.A OG no hydrogen 3.085 N/A ILE 22.A N LEU 10.A O no hydrogen 2.949 N/A SER 23.A N TYR 35.A O no hydrogen 2.757 N/A SER 23.A OG PHE 8.A O no hydrogen 3.050 N/A VAL 24.A N PHE 8.A O no hydrogen 3.073 N/A GLY 25.A N THR 33.A O no hydrogen 3.033 N/A TYR 26.A N ARG 6.A O.A no hydrogen 2.773 N/A TYR 26.A N ARG 6.A O.B no hydrogen 2.790 N/A VAL 27.A N HIS 30.A O no hydrogen 2.912 N/A ASP 28.A N SER 4.A O no hydrogen 2.949 N/A SER 29.A OG TYR 237.A OH no hydrogen 3.266 N/A HIS 30.A N VAL 27.A O no hydrogen 2.862 N/A HIS 30.A NE2 TYR 205.A OH no hydrogen 2.598 N/A ILE 32.A N GLY 25.A O no hydrogen 2.861 N/A THR 34.A N GLU 43.A O no hydrogen 2.899 N/A TYR 35.A N SER 23.A O no hydrogen 2.920 N/A TYR 35.A OH GLN 69.A OE1 no hydrogen 2.656 N/A SER 37.A N PHE 21.A O no hydrogen 2.853 N/A SER 37.A OG PHE 21.A O no hydrogen 3.387 N/A VAL 38.A N ASP 36.A OD1 no hydrogen 2.852 N/A THR 39.A N ASP 36.A OD1 no hydrogen 2.762 N/A THR 39.A OG1 ASP 36.A OD1 no hydrogen 3.518 N/A THR 39.A OG1 GLN 41.A O no hydrogen 3.430 N/A ARG 40.A N ASP 36.A O no hydrogen 2.868 N/A GLN 41.A N THR 39.A OG1 no hydrogen 3.316 N/A LYS 42.A N THR 62.A OG1 no hydrogen 2.840 N/A GLU 43.A N THR 34.A O no hydrogen 2.803 N/A ARG 45.A N ILE 32.A O no hydrogen 2.742 N/A ARG 45.A NH1 PRO 44.A O no hydrogen 3.489 N/A MET 49.A N ALA 46.A O no hydrogen 3.073 N/A ALA 50.A N ALA 46.A O no hydrogen 3.212 N/A GLU 51.A N PRO 47.A O no hydrogen 2.970 N/A ASN 52.A N MET 49.A O no hydrogen 3.351 N/A ASN 52.A ND2 TRP 48.A O no hydrogen 2.745 N/A LEU 53.A N MET 49.A O no hydrogen 3.127 N/A HIS 57.A N ALA 54.A O no hydrogen 2.976 N/A GLU 59.A N PRO 55.A O no hydrogen 2.894 N/A ARG 60.A N ASP 56.A O no hydrogen 2.938 N/A TYR 61.A N HIS 57.A O no hydrogen 3.046 N/A THR 62.A N TRP 58.A O no hydrogen 2.910 N/A THR 62.A OG1 TRP 58.A O no hydrogen 2.756 N/A GLN 63.A N GLU 59.A O no hydrogen 3.360 N/A LEU 64.A N ARG 60.A O no hydrogen 3.083 N/A LEU 65.A N TYR 61.A O no hydrogen 2.833 N/A ARG 66.A N THR 62.A O no hydrogen 2.981 N/A ARG 66.A NE ARG 40.A O no hydrogen 2.887 N/A ARG 66.A NH2 ARG 40.A O no hydrogen 2.852 N/A GLY 67.A N GLN 63.A O no hydrogen 3.204 N/A TRP 68.A N LEU 64.A O no hydrogen 2.898 N/A GLN 69.A N LEU 65.A O no hydrogen 2.807 N/A GLN 70.A N ARG 66.A O no hydrogen 3.317 N/A MET 71.A N GLY 67.A O no hydrogen 3.100 N/A PHE 72.A N TRP 68.A O no hydrogen 2.965 N/A LYS 73.A N GLN 69.A O no hydrogen 3.166 N/A LYS 73.A NZ GLU 20.A OE2 no hydrogen 2.608 N/A VAL 74.A N GLN 70.A O no hydrogen 3.275 N/A GLU 75.A N MET 71.A O no hydrogen 2.957 N/A LEU 76.A N PHE 72.A O no hydrogen 2.963 N/A LYS 77.A N LYS 73.A O no hydrogen 2.996 N/A ARG 78.A N VAL 74.A O no hydrogen 3.019 N/A LEU 79.A N GLU 75.A O no hydrogen 3.042 N/A GLN 80.A N LEU 76.A O no hydrogen 3.015 N/A GLN 80.A NE2 HIS 85.A O no hydrogen 3.215 N/A GLN 80.A NE2 GLY 87.A O no hydrogen 3.224 N/A ARG 81.A N LYS 77.A O no hydrogen 3.022 N/A HIS 82.A N ARG 78.A O no hydrogen 2.928 N/A TYR 83.A N LEU 79.A O no hydrogen 2.898 N/A TYR 83.A OH ASP 132.A OD1 no hydrogen 3.323 N/A TYR 83.A OH ASP 132.A OD2 no hydrogen 2.634 N/A ASN 84.A N ARG 81.A O no hydrogen 3.222 N/A HIS 85.A N GLN 80.A O no hydrogen 2.856 N/A HIS 85.A ND1 TYR 113.A OH no hydrogen 2.732 N/A SER 88.A OG SER 13.A O no hydrogen 2.449 N/A SER 88.A OG ASP 14.A O no hydrogen 3.483 N/A HIS 89.A N SER 13.A OG no hydrogen 2.921 N/A HIS 89.A ND1 ASP 114.A OD2 no hydrogen 2.685 N/A HIS 89.A NE2 SER 86.A O no hydrogen 2.763 N/A THR 90.A N ASP 114.A OD1 no hydrogen 2.935 N/A TYR 91.A N GLY 11.A O no hydrogen 2.927 N/A TYR 91.A OH GLU 75.A OE2 no hydrogen 2.791 N/A GLN 92.A N ALA 112.A O no hydrogen 2.855 N/A ARG 93.A N ARG 9.A O no hydrogen 2.992 N/A ARG 93.A NE TYR 111.A OH no hydrogen 2.799 N/A MET 94.A N GLN 110.A O no hydrogen 2.877 N/A ILE 95.A N TYR 7.A O no hydrogen 3.022 N/A GLY 96.A N PHE 108.A O no hydrogen 2.942 N/A CYS 97.A N LEU 5.A O no hydrogen 2.957 N/A GLU 98.A N THR 106.A O no hydrogen 2.995 N/A LEU 99.A N HIS 3.A O no hydrogen 2.890 N/A LEU 100.A N SER 104.A O no hydrogen 2.853 N/A GLY 103.A N LEU 100.A O no hydrogen 2.939 N/A SER 104.A N ASP 102.A OD1 no hydrogen 2.992 N/A SER 104.A OG ASP 102.A OD1 no hydrogen 2.643 N/A SER 104.A OG ASP 102.A OD2 no hydrogen 3.565 N/A THR 106.A N GLU 98.A O no hydrogen 3.042 N/A THR 106.A OG1 GLU 98.A OE1 no hydrogen 2.834 N/A PHE 108.A N GLY 96.A O no hydrogen 2.867 N/A GLN 110.A N MET 94.A O no hydrogen 2.877 N/A TYR 111.A N LEU 119.A O no hydrogen 2.854 N/A ALA 112.A N GLN 92.A O no hydrogen 2.852 N/A TYR 113.A N GLN 116.A O no hydrogen 3.036 N/A TYR 113.A OH HIS 85.A ND1 no hydrogen 2.732 N/A ASP 114.A N THR 90.A O no hydrogen 2.774 N/A GLN 116.A N TYR 113.A O no hydrogen 3.165 N/A PHE 118.A N TYR 111.A O no hydrogen 2.871 N/A LEU 119.A N TYR 111.A O no hydrogen 3.303 N/A ILE 120.A N LEU 129.A O no hydrogen 3.072 N/A PHE 121.A N LEU 109.A O no hydrogen 2.910 N/A ASN 122.A N SER 127.A O no hydrogen 2.769 N/A LYS 123.A NZ GLU 157.A OE2 no hydrogen 2.786 N/A ASP 124.A N ASN 122.A OD1 no hydrogen 2.941 N/A THR 125.A N ASN 122.A OD1 no hydrogen 3.125 N/A THR 125.A OG1 SER 127.A OG no hydrogen 2.784 N/A SER 127.A N ASN 122.A O no hydrogen 3.165 N/A SER 127.A OG THR 125.A OG1 no hydrogen 2.784 N/A TRP 128.A N GLU 143.A OE2 no hydrogen 2.791 N/A LEU 129.A N ILE 120.A O no hydrogen 2.830 N/A VAL 131.A N PHE 118.A O no hydrogen 3.415 N/A ALA 135.A N ASP 132.A OD1 no hydrogen 2.853 N/A HIS 136.A N ASP 132.A O no hydrogen 2.980 N/A THR 137.A N ASN 133.A O no hydrogen 3.142 N/A THR 137.A OG1 ASN 133.A O no hydrogen 3.126 N/A ILE 138.A N VAL 134.A O no hydrogen 3.202 N/A LYS 139.A N ALA 135.A O no hydrogen 2.765 N/A LYS 139.A NZ TRP 128.A O no hydrogen 2.809 N/A LYS 139.A NZ GLU 143.A OE1 no hydrogen 3.412 N/A LYS 139.A NZ GLU 143.A OE2 no hydrogen 2.612 N/A GLN 140.A N HIS 136.A O no hydrogen 2.989 N/A ALA 141.A N THR 137.A O no hydrogen 3.280 N/A TRP 142.A N ILE 138.A O no hydrogen 2.851 N/A GLU 143.A N LYS 139.A O no hydrogen 2.798 N/A ALA 144.A N ALA 141.A O no hydrogen 3.339 N/A ASN 145.A N TRP 142.A O no hydrogen 3.175 N/A GLU 148.A N ASN 145.A OD1 no hydrogen 3.247 N/A LEU 149.A N ASN 145.A O no hydrogen 3.319 N/A LEU 150.A N GLN 146.A O no hydrogen 3.089 N/A TYR 151.A N HIS 147.A O no hydrogen 2.954 N/A GLN 152.A N GLU 148.A O no hydrogen 2.915 N/A LYS 153.A N LEU 149.A O no hydrogen 2.966 N/A LYS 153.A NZ LYS 123.A O no hydrogen 2.772 N/A LYS 153.A NZ GLU 157.A OE2 no hydrogen 2.666 N/A ASN 154.A N LEU 150.A O no hydrogen 2.900 N/A TRP 155.A N TYR 151.A O no hydrogen 2.890 N/A LEU 156.A N GLN 152.A O no hydrogen 2.965 N/A GLU 157.A N LYS 153.A O no hydrogen 3.015 N/A GLU 158.A N ASN 154.A O no hydrogen 2.865 N/A CYS 160.A N TRP 155.A O no hydrogen 2.730 N/A ALA 162.A N GLU 158.A O no hydrogen 2.990 N/A TRP 163.A N GLU 159.A O no hydrogen 2.857 N/A LEU 164.A N CYS 160.A O no hydrogen 2.851 N/A LYS 165.A N ILE 161.A O no hydrogen 2.940 N/A ARG 166.A N ALA 162.A O no hydrogen 3.071 N/A ARG 166.A NE TYR 170.A OH no hydrogen 2.712 N/A PHE 167.A N TRP 163.A O no hydrogen 2.860 N/A LEU 168.A N LEU 164.A O no hydrogen 2.828 N/A GLU 169.A N LYS 165.A O no hydrogen 3.205 N/A TYR 170.A N ARG 166.A O no hydrogen 3.159 N/A GLY 171.A N PHE 167.A O no hydrogen 2.919 N/A LYS 172.A N GLU 169.A O no hydrogen 3.220 N/A LYS 172.A NZ GLU 169.A OE1 no hydrogen 2.797 N/A THR 174.A N GLY 171.A O no hydrogen 2.846 N/A LEU 175.A N GLY 171.A O no hydrogen 2.808 N/A GLN 176.A N LYS 172.A O no hydrogen 2.956 N/A GLN 176.A NE2 LEU 168.A O no hydrogen 3.118 N/A ARG 177.A NE GLU 179.A OE2 no hydrogen 2.880 N/A ARG 177.A NH1 THR 174.A O no hydrogen 2.938 N/A ARG 177.A NH2 GLU 179.A OE2 no hydrogen 2.914 N/A ARG 177.A NH2 GLY 235.A O no hydrogen 3.218 N/A GLU 179.A N TYR 205.A O no hydrogen 2.807 N/A LEU 182.A N HIS 202.A O no hydrogen 2.873 N/A ARG 184.A N LYS 200.A O no hydrogen 2.854 N/A ASN 186.A N PHE 198.A O no hydrogen 2.950 N/A LYS 188.A N ALA 196.A O no hydrogen 3.057 N/A THR 190.A N VAL 194.A O no hydrogen 2.653 N/A THR 190.A OG1 VAL 194.A O no hydrogen 2.780 N/A GLY 193.A N GLU 189.A OE2 no hydrogen 2.830 N/A VAL 194.A N PHE 191.A O no hydrogen 2.883 N/A ALA 196.A N LYS 188.A O no hydrogen 2.889 N/A LEU 197.A N ILE 243.A O no hydrogen 2.833 N/A PHE 198.A N ASN 186.A O no hydrogen 2.907 N/A CYS 199.A N ALA 241.A O no hydrogen 2.778 N/A LYS 200.A N ARG 184.A O no hydrogen 2.758 N/A ALA 201.A N ALA 239.A O no hydrogen 2.899 N/A HIS 202.A N LEU 182.A O no hydrogen 3.033 N/A PHE 204.A N TYR 237.A O no hydrogen 3.387 N/A TYR 205.A N GLU 179.A O no hydrogen 2.960 N/A TYR 205.A OH HIS 30.A NE2 no hydrogen 2.598 N/A TYR 210.A N GLU 252.A O no hydrogen 2.947 N/A THR 212.A N HIS 250.A O no hydrogen 2.891 N/A TRP 213.A NE1 ALA 241.A O no hydrogen 3.060 N/A MET 214.A N SER 248.A O no hydrogen 2.886 N/A LYS 215.A N GLU 218.A O no hydrogen 2.798 N/A ASN 216.A N LEU 246.A O no hydrogen 2.781 N/A GLU 218.A N LYS 215.A O no hydrogen 2.708 N/A ASP 225.A N SER 242.A O no hydrogen 2.881 N/A GLY 227.A N TRP 240.A O no hydrogen 2.778 N/A LEU 230.A N GLN 238.A O no hydrogen 2.751 N/A SER 232.A N THR 236.A O no hydrogen 2.916 N/A SER 232.A OG GLN 238.A OE1 no hydrogen 3.029 N/A THR 236.A N ASP 234.A OD1 no hydrogen 3.076 N/A THR 236.A OG1 ASP 234.A OD1 no hydrogen 2.655 N/A THR 236.A OG1 ASP 234.A OD2 no hydrogen 3.563 N/A TYR 237.A N PHE 204.A O no hydrogen 2.801 N/A TYR 237.A OH SER 29.A OG no hydrogen 3.266 N/A GLN 238.A N LEU 230.A O no hydrogen 2.920 N/A ALA 239.A N ALA 201.A O no hydrogen 2.986 N/A ALA 241.A N CYS 199.A O no hydrogen 3.002 N/A SER 242.A N ASP 225.A O no hydrogen 2.801 N/A ILE 243.A N LEU 197.A O no hydrogen 3.016 N/A LEU 245.A N THR 195.A O no hydrogen 3.078 N/A SER 248.A N MET 214.A O no hydrogen 2.975 N/A SER 248.A OG HIS 250.A NE2 no hydrogen 2.909 N/A CYS 249.A N LEU 260.A O no hydrogen 2.817 N/A CYS 249.A SG THR 212.A O no hydrogen 3.792 N/A HIS 250.A N THR 212.A O no hydrogen 2.837 N/A HIS 250.A ND1 HIS 257.A NE2.B no hydrogen 3.050 N/A HIS 250.A NE2 SER 248.A OG no hydrogen 2.909 N/A VAL 251.A N MET 258.A O no hydrogen 2.908 N/A GLU 252.A N TYR 210.A O no hydrogen 2.833 N/A HIS 253.A N VAL 256.A O no hydrogen 2.954 N/A HIS 253.A NE2 PRO 206.A O no hydrogen 2.884 N/A VAL 256.A N HIS 253.A O no hydrogen 3.024 N/A HIS 257.A NE2.B HIS 250.A ND1 no hydrogen 3.050 N/A MET 258.A N VAL 251.A O no hydrogen 2.781 N/A LEU 260.A N CYS 249.A O no hydrogen 2.838 N/A VAL 262.A N TYR 247.A O no hydrogen 2.852 N/A