Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pjx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH1 ARG 177.A O no hydrogen 3.280 N/A ARG 2.A NH1 THR 178.A OG1 no hydrogen 3.056 N/A ARG 2.A NH2 LEU 175.A O no hydrogen 2.920 N/A ARG 2.A NH2 ARG 177.A O no hydrogen 2.822 N/A HIS 4.A N LEU 99.A O no hydrogen 3.088 N/A HIS 4.A ND1 ASP 28.A OD2 no hydrogen 2.696 N/A SER 5.A N ASP 28.A OD1 no hydrogen 2.811 N/A LEU 6.A N CYS 97.A O no hydrogen 2.927 N/A ARG 7.A N TYR 26.A O no hydrogen 2.945 N/A ARG 7.A NH1 SER 5.A OG no hydrogen 3.341 N/A TYR 8.A N ILE 95.A O no hydrogen 2.826 N/A PHE 9.A N VAL 24.A O no hydrogen 2.845 N/A ARG 10.A N ARG 93.A O no hydrogen 2.931 N/A LEU 11.A N ILE 22.A O no hydrogen 2.803 N/A GLY 12.A N TYR 91.A O no hydrogen 2.812 N/A VAL 13.A N GLU 20.A O no hydrogen 2.865 N/A SER 14.A N HIS 89.A O no hydrogen 2.936 N/A SER 14.A OG GLN 80.A OE1 no hydrogen 2.743 N/A SER 14.A OG GLY 87.A O no hydrogen 3.250 N/A SER 14.A OG HIS 89.A O no hydrogen 3.335 N/A PHE 21.A N SER 37.A OG no hydrogen 3.055 N/A ILE 22.A N LEU 11.A O no hydrogen 2.901 N/A SER 23.A N TYR 35.A O no hydrogen 2.765 N/A SER 23.A OG PHE 9.A O no hydrogen 3.121 N/A VAL 24.A N PHE 9.A O no hydrogen 3.013 N/A GLY 25.A N THR 33.A O no hydrogen 3.045 N/A TYR 26.A N ARG 7.A O no hydrogen 2.746 N/A VAL 27.A N HIS 30.A O no hydrogen 3.014 N/A ASP 28.A N SER 5.A O no hydrogen 2.982 N/A SER 29.A OG TYR 237.A OH no hydrogen 3.295 N/A HIS 30.A N VAL 27.A O no hydrogen 2.943 N/A HIS 30.A NE2 TYR 205.A OH no hydrogen 2.609 N/A ILE 32.A N GLY 25.A O no hydrogen 2.751 N/A THR 34.A N GLU 43.A O no hydrogen 2.948 N/A TYR 35.A N SER 23.A O no hydrogen 2.914 N/A TYR 35.A OH GLN 69.A OE1 no hydrogen 2.647 N/A SER 37.A N PHE 21.A O no hydrogen 2.791 N/A SER 37.A OG PHE 21.A O no hydrogen 3.409 N/A VAL 38.A N ASP 36.A OD1 no hydrogen 2.911 N/A THR 39.A N ASP 36.A OD1 no hydrogen 2.773 N/A THR 39.A OG1 ASP 36.A O no hydrogen 3.480 N/A THR 39.A OG1 ASP 36.A OD1 no hydrogen 3.404 N/A THR 39.A OG1 GLN 41.A O no hydrogen 3.373 N/A ARG 40.A N ASP 36.A O no hydrogen 2.811 N/A LYS 42.A N THR 62.A OG1 no hydrogen 2.866 N/A GLU 43.A N THR 34.A O no hydrogen 2.851 N/A ARG 45.A N.A ILE 32.A O no hydrogen 2.800 N/A ARG 45.A N.B ILE 32.A O no hydrogen 2.809 N/A MET 49.A N ALA 46.A O no hydrogen 3.010 N/A ALA 50.A N ALA 46.A O no hydrogen 3.215 N/A GLU 51.A N PRO 47.A O no hydrogen 2.816 N/A ASN 52.A N MET 49.A O no hydrogen 3.318 N/A ASN 52.A ND2 TRP 48.A O no hydrogen 2.730 N/A LEU 53.A N MET 49.A O no hydrogen 2.996 N/A HIS 57.A N ALA 54.A O no hydrogen 3.000 N/A GLU 59.A N PRO 55.A O no hydrogen 2.826 N/A ARG 60.A N ASP 56.A O no hydrogen 3.012 N/A TYR 61.A N HIS 57.A O no hydrogen 2.994 N/A THR 62.A N TRP 58.A O no hydrogen 3.034 N/A THR 62.A OG1 TRP 58.A O no hydrogen 2.604 N/A LEU 64.A N ARG 60.A O no hydrogen 3.224 N/A LEU 65.A N TYR 61.A O no hydrogen 2.832 N/A ARG 66.A N THR 62.A O no hydrogen 2.965 N/A ARG 66.A NE ARG 40.A O no hydrogen 2.811 N/A ARG 66.A NH2 ARG 40.A O no hydrogen 2.864 N/A GLY 67.A N GLN 63.A O no hydrogen 3.195 N/A TRP 68.A N LEU 64.A O no hydrogen 2.845 N/A GLN 69.A N LEU 65.A O no hydrogen 2.814 N/A GLN 70.A N ARG 66.A O no hydrogen 3.277 N/A MET 71.A N GLY 67.A O no hydrogen 3.029 N/A PHE 72.A N TRP 68.A O no hydrogen 2.886 N/A LYS 73.A N GLN 69.A O no hydrogen 3.120 N/A LYS 73.A NZ GLU 20.A OE2 no hydrogen 2.807 N/A VAL 74.A N GLN 70.A O no hydrogen 3.221 N/A GLU 75.A N MET 71.A O no hydrogen 2.940 N/A LEU 76.A N PHE 72.A O no hydrogen 2.973 N/A LYS 77.A N LYS 73.A O no hydrogen 3.151 N/A ARG 78.A N.A VAL 74.A O no hydrogen 3.058 N/A ARG 78.A N.B VAL 74.A O no hydrogen 3.045 N/A LEU 79.A N GLU 75.A O no hydrogen 2.943 N/A GLN 80.A N LEU 76.A O no hydrogen 2.920 N/A GLN 80.A NE2 HIS 85.A O no hydrogen 3.109 N/A GLN 80.A NE2 GLY 87.A O no hydrogen 3.397 N/A ARG 81.A N LYS 77.A O no hydrogen 2.981 N/A HIS 82.A N ARG 78.A O.A no hydrogen 2.893 N/A HIS 82.A N ARG 78.A O.B no hydrogen 2.875 N/A TYR 83.A N LEU 79.A O no hydrogen 2.895 N/A TYR 83.A OH ASP 132.A OD1 no hydrogen 3.327 N/A TYR 83.A OH ASP 132.A OD2 no hydrogen 2.623 N/A ASN 84.A N ARG 81.A O no hydrogen 3.190 N/A HIS 85.A N GLN 80.A O no hydrogen 2.772 N/A HIS 85.A ND1 TYR 113.A OH no hydrogen 2.873 N/A SER 88.A OG SER 14.A O no hydrogen 2.627 N/A SER 88.A OG ASP 15.A O no hydrogen 3.563 N/A HIS 89.A N SER 14.A OG no hydrogen 2.826 N/A HIS 89.A ND1 ASP 114.A OD1 no hydrogen 3.214 N/A HIS 89.A ND1 ASP 114.A OD2 no hydrogen 2.628 N/A HIS 89.A NE2 SER 86.A O no hydrogen 2.794 N/A THR 90.A N ASP 114.A OD1 no hydrogen 3.047 N/A TYR 91.A N GLY 12.A O no hydrogen 2.895 N/A TYR 91.A OH GLU 75.A OE2 no hydrogen 2.803 N/A GLN 92.A N ALA 112.A O no hydrogen 2.873 N/A ARG 93.A N ARG 10.A O no hydrogen 2.980 N/A ARG 93.A NE TYR 111.A OH no hydrogen 2.798 N/A MET 94.A N GLN 110.A O no hydrogen 2.967 N/A ILE 95.A N TYR 8.A O no hydrogen 3.013 N/A GLY 96.A N PHE 108.A O no hydrogen 2.968 N/A CYS 97.A N LEU 6.A O no hydrogen 2.900 N/A GLU 98.A N THR 106.A O no hydrogen 2.962 N/A LEU 99.A N HIS 4.A O no hydrogen 2.930 N/A LEU 100.A N SER 104.A O no hydrogen 2.892 N/A GLU 101.A N THR 3.A OG1 no hydrogen 3.414 N/A GLY 103.A N LEU 100.A O no hydrogen 2.921 N/A SER 104.A N ASP 102.A OD2 no hydrogen 3.440 N/A SER 104.A OG ASP 102.A OD2 no hydrogen 2.729 N/A THR 106.A N GLU 98.A O no hydrogen 3.021 N/A THR 106.A OG1 GLU 98.A OE1 no hydrogen 3.166 N/A PHE 108.A N GLY 96.A O no hydrogen 2.901 N/A GLN 110.A N MET 94.A O no hydrogen 2.898 N/A TYR 111.A N LEU 119.A O no hydrogen 2.830 N/A ALA 112.A N GLN 92.A O no hydrogen 2.913 N/A TYR 113.A N GLN 116.A O no hydrogen 2.927 N/A TYR 113.A OH HIS 85.A ND1 no hydrogen 2.873 N/A ASP 114.A N THR 90.A O no hydrogen 2.927 N/A GLN 116.A N TYR 113.A O no hydrogen 3.156 N/A PHE 118.A N TYR 111.A O no hydrogen 2.778 N/A LEU 119.A N TYR 111.A O no hydrogen 3.289 N/A ILE 120.A N LEU 129.A O no hydrogen 2.949 N/A PHE 121.A N LEU 109.A O no hydrogen 2.827 N/A ASN 122.A N SER 127.A O no hydrogen 2.726 N/A LYS 123.A NZ GLU 157.A OE2 no hydrogen 2.960 N/A ASP 124.A N ASN 122.A OD1 no hydrogen 2.985 N/A THR 125.A N ASN 122.A OD1 no hydrogen 3.123 N/A THR 125.A OG1 SER 127.A OG no hydrogen 2.754 N/A SER 127.A N ASN 122.A O no hydrogen 3.172 N/A SER 127.A OG THR 125.A OG1 no hydrogen 2.754 N/A TRP 128.A N GLU 143.A OE2 no hydrogen 2.867 N/A LEU 129.A N ILE 120.A O no hydrogen 2.723 N/A VAL 131.A N PHE 118.A O no hydrogen 3.301 N/A ALA 135.A N ASP 132.A OD1 no hydrogen 2.865 N/A HIS 136.A N ASP 132.A O no hydrogen 2.945 N/A THR 137.A N ASN 133.A O no hydrogen 3.070 N/A THR 137.A OG1 ASN 133.A O no hydrogen 2.978 N/A ILE 138.A N VAL 134.A O no hydrogen 3.123 N/A LYS 139.A N ALA 135.A O no hydrogen 2.752 N/A LYS 139.A NZ TRP 128.A O no hydrogen 2.729 N/A LYS 139.A NZ GLU 143.A OE1 no hydrogen 3.391 N/A LYS 139.A NZ GLU 143.A OE2 no hydrogen 2.729 N/A GLN 140.A N HIS 136.A O no hydrogen 2.974 N/A ALA 141.A N THR 137.A O no hydrogen 3.278 N/A TRP 142.A N ILE 138.A O no hydrogen 2.854 N/A GLU 143.A N LYS 139.A O no hydrogen 2.875 N/A ALA 144.A N ALA 141.A O no hydrogen 3.386 N/A ASN 145.A N TRP 142.A O no hydrogen 3.200 N/A GLU 148.A N ASN 145.A OD1 no hydrogen 3.414 N/A LEU 150.A N GLN 146.A O no hydrogen 3.173 N/A TYR 151.A N HIS 147.A O no hydrogen 2.907 N/A GLN 152.A N GLU 148.A O no hydrogen 2.886 N/A LYS 153.A N LEU 149.A O no hydrogen 2.933 N/A LYS 153.A NZ LYS 123.A O no hydrogen 2.963 N/A LYS 153.A NZ GLU 157.A OE2 no hydrogen 2.826 N/A ASN 154.A N LEU 150.A O no hydrogen 2.897 N/A TRP 155.A N TYR 151.A O no hydrogen 2.898 N/A LEU 156.A N GLN 152.A O no hydrogen 2.939 N/A GLU 157.A N LYS 153.A O no hydrogen 3.006 N/A GLU 158.A N ASN 154.A O no hydrogen 2.821 N/A CYS 160.A N TRP 155.A O no hydrogen 2.706 N/A ALA 162.A N GLU 158.A O no hydrogen 3.097 N/A TRP 163.A N GLU 159.A O no hydrogen 2.970 N/A LEU 164.A N CYS 160.A O no hydrogen 2.877 N/A LYS 165.A N ILE 161.A O no hydrogen 2.855 N/A ARG 166.A N ALA 162.A O no hydrogen 3.002 N/A ARG 166.A NE TYR 170.A OH no hydrogen 2.786 N/A PHE 167.A N TRP 163.A O no hydrogen 2.832 N/A LEU 168.A N.A LEU 164.A O no hydrogen 2.877 N/A LEU 168.A N.B LEU 164.A O no hydrogen 2.864 N/A GLU 169.A N LYS 165.A O no hydrogen 3.259 N/A TYR 170.A N ARG 166.A O no hydrogen 3.125 N/A GLY 171.A N PHE 167.A O no hydrogen 2.813 N/A LYS 172.A N GLU 169.A O no hydrogen 3.177 N/A THR 174.A N GLY 171.A O no hydrogen 2.850 N/A LEU 175.A N GLY 171.A O no hydrogen 2.785 N/A GLN 176.A N LYS 172.A O no hydrogen 2.968 N/A GLN 176.A NE2 LEU 168.A O.A no hydrogen 2.838 N/A GLN 176.A NE2 LEU 168.A O.B no hydrogen 2.852 N/A ARG 177.A NE GLU 179.A OE2 no hydrogen 2.945 N/A ARG 177.A NH1 THR 174.A O no hydrogen 2.854 N/A ARG 177.A NH2 GLU 179.A OE2 no hydrogen 3.028 N/A ARG 177.A NH2 GLY 235.A O no hydrogen 3.108 N/A GLU 179.A N TYR 205.A O no hydrogen 2.708 N/A LEU 182.A N HIS 202.A O no hydrogen 2.804 N/A ARG 184.A N LYS 200.A O no hydrogen 2.935 N/A ASN 186.A N PHE 198.A O no hydrogen 2.903 N/A LYS 188.A N ALA 196.A O no hydrogen 3.115 N/A THR 190.A N VAL 194.A O no hydrogen 2.660 N/A THR 190.A OG1 VAL 194.A O no hydrogen 3.422 N/A VAL 194.A N PHE 191.A O no hydrogen 2.946 N/A ALA 196.A N LYS 188.A O no hydrogen 2.855 N/A LEU 197.A N ILE 243.A O no hydrogen 2.735 N/A PHE 198.A N ASN 186.A O no hydrogen 2.918 N/A CYS 199.A N ALA 241.A O no hydrogen 2.804 N/A LYS 200.A N ARG 184.A O no hydrogen 2.831 N/A ALA 201.A N ALA 239.A O no hydrogen 2.786 N/A HIS 202.A N LEU 182.A O no hydrogen 3.061 N/A PHE 204.A N TYR 237.A O no hydrogen 3.275 N/A TYR 205.A N GLU 179.A O no hydrogen 2.831 N/A TYR 205.A OH HIS 30.A NE2 no hydrogen 2.609 N/A TYR 210.A N GLU 252.A O no hydrogen 2.932 N/A THR 212.A N HIS 250.A O no hydrogen 2.831 N/A TRP 213.A NE1 ALA 241.A O no hydrogen 3.088 N/A MET 214.A N SER 248.A O no hydrogen 2.904 N/A LYS 215.A N GLU 219.A O no hydrogen 2.916 N/A ASN 216.A N LEU 246.A O no hydrogen 2.820 N/A VAL 221.A N TRP 213.A O no hydrogen 2.970 N/A ASP 225.A N.A SER 242.A O no hydrogen 2.869 N/A ASP 225.A N.B SER 242.A O no hydrogen 2.871 N/A GLY 227.A N TRP 240.A O no hydrogen 2.839 N/A LEU 230.A N GLN 238.A O no hydrogen 2.724 N/A SER 232.A N THR 236.A O no hydrogen 2.867 N/A SER 232.A OG GLN 238.A OE1 no hydrogen 3.095 N/A THR 236.A N ASP 234.A OD1 no hydrogen 3.194 N/A THR 236.A OG1 ASP 234.A OD1 no hydrogen 2.660 N/A THR 236.A OG1 ASP 234.A OD2 no hydrogen 3.531 N/A TYR 237.A N PHE 204.A O no hydrogen 2.859 N/A GLN 238.A N LEU 230.A O no hydrogen 2.888 N/A ALA 239.A N ALA 201.A O no hydrogen 2.944 N/A ALA 241.A N CYS 199.A O no hydrogen 2.906 N/A SER 242.A N ASP 225.A O.A no hydrogen 2.746 N/A SER 242.A N ASP 225.A O.B no hydrogen 2.746 N/A ILE 243.A N LEU 197.A O no hydrogen 2.918 N/A LEU 245.A N THR 195.A O no hydrogen 2.617 N/A SER 248.A N MET 214.A O no hydrogen 3.065 N/A SER 248.A OG HIS 250.A NE2 no hydrogen 3.157 N/A CYS 249.A N LEU 260.A O no hydrogen 2.814 N/A CYS 249.A SG THR 212.A O no hydrogen 3.844 N/A HIS 250.A N THR 212.A O no hydrogen 2.745 N/A HIS 250.A ND1 HIS 257.A NE2 no hydrogen 3.134 N/A VAL 251.A N MET 258.A O no hydrogen 2.817 N/A GLU 252.A N TYR 210.A O no hydrogen 2.701 N/A HIS 253.A N VAL 256.A O no hydrogen 2.963 N/A HIS 253.A NE2 PRO 206.A O no hydrogen 2.840 N/A VAL 256.A N HIS 253.A O no hydrogen 2.952 N/A HIS 257.A NE2 HIS 250.A ND1 no hydrogen 3.134 N/A MET 258.A N VAL 251.A O no hydrogen 2.738 N/A LEU 260.A N CYS 249.A O no hydrogen 2.826 N/A VAL 262.A N TYR 247.A O no hydrogen 2.866 N/A