Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4qrq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N VAL 96.A O no hydrogen 2.959 N/A HIS 3.A ND1 ASP 29.A OD2 no hydrogen 2.647 N/A HIS 3.A NE2 GLU 173.A OE2 no hydrogen 3.246 N/A SER 4.A N.A ASP 29.A OD1 no hydrogen 2.848 N/A SER 4.A N.B ASP 29.A OD1 no hydrogen 2.848 N/A SER 4.A OG.A ASP 29.A OD1 no hydrogen 3.565 N/A SER 4.A OG.B ASP 95.A OD1 no hydrogen 2.737 N/A MET 5.A N CYS 94.A O no hydrogen 2.942 N/A ARG 6.A N TYR 27.A O no hydrogen 2.977 N/A ARG 6.A NH1 MET 5.A O no hydrogen 2.972 N/A ARG 6.A NH1 CYS 94.A O no hydrogen 3.395 N/A ARG 6.A NH1 ASP 95.A OD1 no hydrogen 3.085 N/A ARG 6.A NH2 ASP 95.A OD1 no hydrogen 2.805 N/A TYR 7.A N TYR 92.A O no hydrogen 2.842 N/A PHE 8.A N VAL 25.A O.A no hydrogen 2.802 N/A PHE 8.A N VAL 25.A O.B no hydrogen 2.811 N/A ASP 9.A N SER 90.A O no hydrogen 2.885 N/A THR 10.A N ILE 23.A O no hydrogen 2.892 N/A ALA 11.A N LEU 88.A O no hydrogen 2.836 N/A MET 12.A N.A ARG 21.A O no hydrogen 2.915 N/A MET 12.A N.B ARG 21.A O no hydrogen 2.917 N/A SER 13.A N HIS 86.A O no hydrogen 2.963 N/A SER 13.A OG HIS 86.A O no hydrogen 3.563 N/A ARG 14.A NE GLU 19.A O no hydrogen 2.880 N/A ARG 14.A NH1 ASP 39.A OD2 no hydrogen 2.807 N/A ARG 14.A NH2 GLU 19.A O no hydrogen 3.063 N/A ARG 14.A NH2 ASP 39.A OD1 no hydrogen 2.900 N/A ARG 14.A NH2 ASP 39.A OD2 no hydrogen 3.444 N/A ARG 17.A N ARG 14.A O no hydrogen 2.854 N/A ARG 21.A N MET 12.A O.A no hydrogen 2.980 N/A ARG 21.A N MET 12.A O.B no hydrogen 2.992 N/A ARG 21.A NE ASP 37.A OD1 no hydrogen 3.155 N/A ARG 21.A NH2 ASP 37.A OD2 no hydrogen 2.947 N/A PHE 22.A N SER 38.A OG no hydrogen 2.895 N/A ILE 23.A N THR 10.A O no hydrogen 2.897 N/A SER 24.A N PHE 36.A O no hydrogen 2.812 N/A SER 24.A OG ASP 9.A OD1 no hydrogen 2.619 N/A VAL 25.A N.A PHE 8.A O no hydrogen 3.002 N/A VAL 25.A N.B PHE 8.A O no hydrogen 3.010 N/A GLY 26.A N VAL 34.A O no hydrogen 2.925 N/A TYR 27.A N ARG 6.A O no hydrogen 2.808 N/A VAL 28.A N THR 31.A O no hydrogen 2.897 N/A ASP 29.A N SER 4.A O.A no hydrogen 2.871 N/A ASP 29.A N SER 4.A O.B no hydrogen 2.887 N/A THR 31.A N VAL 28.A O no hydrogen 2.895 N/A THR 31.A OG1 TYR 202.A OH no hydrogen 2.821 N/A PHE 33.A N GLY 26.A O no hydrogen 2.824 N/A PHE 36.A N SER 24.A O no hydrogen 2.849 N/A SER 38.A N PHE 22.A O no hydrogen 2.820 N/A SER 38.A OG PHE 22.A O no hydrogen 3.492 N/A ASP 39.A N ASP 37.A OD1 no hydrogen 2.957 N/A ALA 40.A N ASP 37.A O no hydrogen 2.993 N/A ALA 42.A N PHE 33.A O no hydrogen 3.087 N/A ILE 45.A N ALA 42.A O no hydrogen 3.114 N/A GLU 46.A N ALA 42.A O no hydrogen 3.426 N/A GLU 46.A N PRO 43.A O no hydrogen 3.117 N/A GLU 48.A N ILE 45.A O no hydrogen 2.894 N/A TYR 52.A OH TYR 164.A OH no hydrogen 2.528 N/A ASP 54.A N PRO 50.A O no hydrogen 2.941 N/A ARG 55.A N GLU 51.A O no hydrogen 2.942 N/A ASN 56.A N TYR 52.A O no hydrogen 3.034 N/A ASN 56.A ND2 TYR 52.A O no hydrogen 2.932 N/A THR 57.A N TRP 53.A O no hydrogen 2.829 N/A THR 57.A OG1 TRP 53.A O no hydrogen 2.817 N/A GLN 58.A N ASP 54.A O no hydrogen 2.824 N/A ILE 59.A N ARG 55.A O no hydrogen 3.159 N/A PHE 60.A N ASN 56.A O no hydrogen 2.935 N/A LYS 61.A N THR 57.A O no hydrogen 2.991 N/A THR 62.A N GLN 58.A O no hydrogen 2.983 N/A THR 62.A OG1 GLN 58.A O no hydrogen 3.229 N/A ASN 63.A N ILE 59.A O no hydrogen 2.787 N/A THR 64.A N PHE 60.A O no hydrogen 2.892 N/A THR 64.A OG1 PHE 60.A O no hydrogen 2.837 N/A GLN 65.A N LYS 61.A O no hydrogen 3.312 N/A THR 66.A N THR 62.A O no hydrogen 2.923 N/A THR 66.A OG1 THR 62.A O no hydrogen 3.210 N/A ASP 67.A N ASN 63.A O no hydrogen 2.933 N/A ARG 68.A N THR 64.A O no hydrogen 3.003 N/A ARG 68.A NE PRO 20.A O no hydrogen 2.850 N/A ARG 68.A NH2 PRO 20.A O no hydrogen 2.982 N/A GLU 69.A N GLN 65.A O no hydrogen 2.995 N/A SER 70.A N THR 66.A O no hydrogen 2.881 N/A SER 70.A OG THR 66.A O no hydrogen 2.862 N/A LEU 71.A N ASP 67.A O no hydrogen 2.925 N/A ARG 72.A N.A ARG 68.A O no hydrogen 3.324 N/A ARG 72.A N.B ARG 68.A O no hydrogen 3.317 N/A ARG 72.A NH1.B GLU 69.A OE1 no hydrogen 3.418 N/A ARG 72.A NH2.A ARG 72.A O.A no hydrogen 3.000 N/A ASN 73.A N GLU 69.A O no hydrogen 3.014 N/A LEU 74.A N SER 70.A O no hydrogen 2.840 N/A ARG 75.A N LEU 71.A O no hydrogen 3.125 N/A ARG 75.A NH1 GLN 80.A O no hydrogen 3.132 N/A GLY 76.A N ARG 72.A O.A no hydrogen 3.400 N/A GLY 76.A N ARG 72.A O.B no hydrogen 3.325 N/A TYR 77.A N ASN 73.A O no hydrogen 2.957 N/A TYR 78.A N LEU 74.A O no hydrogen 3.159 N/A TYR 78.A N ARG 75.A O no hydrogen 3.359 N/A TYR 78.A OH ASP 130.A OD1 no hydrogen 3.252 N/A TYR 78.A OH ASP 130.A OD2 no hydrogen 2.669 N/A ASN 79.A N GLY 76.A O no hydrogen 3.152 N/A GLN 80.A N ARG 75.A O no hydrogen 2.833 N/A GLU 82.A N.A GLU 82.A OE1.A no hydrogen 2.621 N/A ALA 83.A N SER 81.A OG no hydrogen 3.244 N/A SER 85.A OG SER 13.A O no hydrogen 2.535 N/A HIS 86.A N SER 13.A OG no hydrogen 2.935 N/A HIS 86.A ND1 ASP 112.A OD2 no hydrogen 2.734 N/A THR 87.A N ASP 112.A OD1 no hydrogen 2.865 N/A LEU 88.A N ALA 11.A O no hydrogen 2.757 N/A GLN 89.A N ALA 110.A O no hydrogen 2.899 N/A SER 90.A N ASP 9.A O no hydrogen 2.915 N/A MET 91.A N GLN 108.A O no hydrogen 2.932 N/A TYR 92.A N TYR 7.A O no hydrogen 3.143 N/A GLY 93.A N HIS 106.A O no hydrogen 3.051 N/A CYS 94.A N MET 5.A O no hydrogen 3.050 N/A ASP 95.A N ARG 104.A O no hydrogen 2.813 N/A VAL 96.A N HIS 3.A O no hydrogen 2.798 N/A GLY 97.A N ARG 101.A O no hydrogen 2.948 N/A GLY 100.A N GLY 97.A O no hydrogen 2.730 N/A ARG 101.A N ASP 99.A OD1 no hydrogen 2.854 N/A LEU 103.A N ASP 95.A O no hydrogen 2.730 N/A ARG 104.A N ASP 95.A O no hydrogen 3.426 N/A ARG 104.A NE GLY 105.A O no hydrogen 3.004 N/A HIS 106.A N GLY 93.A O no hydrogen 2.838 N/A HIS 106.A NE2 ASP 95.A OD2 no hydrogen 2.850 N/A GLN 108.A N MET 91.A O no hydrogen 2.944 N/A TYR 109.A N ILE 117.A O no hydrogen 2.879 N/A ALA 110.A N GLN 89.A O no hydrogen 2.901 N/A TYR 111.A N LYS 114.A O no hydrogen 2.845 N/A TYR 111.A OH GLN 80.A OE1 no hydrogen 2.638 N/A ASP 112.A N THR 87.A O no hydrogen 2.832 N/A LYS 114.A N TYR 111.A O no hydrogen 2.998 N/A TYR 116.A N TYR 109.A O no hydrogen 2.916 N/A TYR 116.A OH THR 136.A OG1 no hydrogen 2.708 N/A ALA 118.A N THR 127.A O no hydrogen 3.006 N/A LEU 119.A N ASN 107.A O no hydrogen 2.873 N/A ASN 120.A N SER 125.A O no hydrogen 2.801 N/A ASN 120.A ND2 SER 125.A OG no hydrogen 2.736 N/A LEU 123.A N ASN 120.A O no hydrogen 2.895 N/A ARG 124.A N ASP 122.A OD1 no hydrogen 2.830 N/A SER 125.A N ASP 122.A OD1 no hydrogen 2.995 N/A SER 125.A OG ASP 122.A OD1 no hydrogen 3.151 N/A SER 125.A OG ASP 122.A OD2 no hydrogen 2.800 N/A THR 127.A N ALA 118.A O no hydrogen 2.908 N/A THR 127.A OG1 ASN 120.A OD1 no hydrogen 2.551 N/A ALA 129.A N TYR 116.A O no hydrogen 2.931 N/A ALA 133.A N ASP 130.A OD1 no hydrogen 2.883 N/A GLN 134.A N ASP 130.A O no hydrogen 3.051 N/A ILE 135.A N ALA 132.A O no hydrogen 2.916 N/A THR 136.A OG1 TYR 116.A OH no hydrogen 2.708 N/A GLN 137.A N ALA 133.A O no hydrogen 2.827 N/A GLN 137.A NE2 GLU 141.A OE1 no hydrogen 2.965 N/A ARG 138.A N GLN 134.A O no hydrogen 2.951 N/A LYS 139.A N ILE 135.A O no hydrogen 2.982 N/A LYS 139.A NZ TYR 77.A OH no hydrogen 2.844 N/A TRP 140.A N THR 136.A O no hydrogen 2.783 N/A GLU 141.A N GLN 137.A O no hydrogen 2.810 N/A ALA 142.A N ARG 138.A O no hydrogen 2.994 N/A ALA 143.A N LYS 139.A O no hydrogen 3.049 N/A ARG 144.A N GLU 141.A O no hydrogen 3.206 N/A ARG 144.A NH1 GLU 141.A O no hydrogen 2.500 N/A VAL 145.A N TRP 140.A O no hydrogen 2.955 N/A GLU 147.A N.A GLU 147.A OE1.A no hydrogen 2.907 N/A ASP 149.A N VAL 145.A O no hydrogen 2.957 N/A ARG 150.A N ALA 146.A O no hydrogen 2.756 N/A ARG 150.A NE GLU 154.A OE1 no hydrogen 2.894 N/A ALA 151.A N GLU 147.A O.A no hydrogen 3.044 N/A ALA 151.A N GLU 147.A O.B no hydrogen 3.110 N/A TYR 152.A N GLN 148.A O no hydrogen 3.068 N/A LEU 153.A N ASP 149.A O no hydrogen 2.875 N/A GLU 154.A N ARG 150.A O no hydrogen 2.826 N/A GLY 155.A N ALA 151.A O no hydrogen 2.957 N/A CYS 157.A N TYR 152.A O no hydrogen 2.821 N/A GLU 159.A N GLY 155.A O no hydrogen 2.851 N/A TRP 160.A N THR 156.A O no hydrogen 2.890 N/A LEU 161.A N CYS 157.A O no hydrogen 2.926 N/A ARG 162.A N VAL 158.A O no hydrogen 2.992 N/A ARG 162.A NE GLY 100.A O no hydrogen 2.836 N/A ARG 162.A NH2 GLY 100.A O no hydrogen 3.088 N/A ARG 163.A N.A GLU 159.A O no hydrogen 3.111 N/A ARG 163.A N.B GLU 159.A O no hydrogen 3.117 N/A ARG 163.A NH1.A GLU 159.A OE2 no hydrogen 3.538 N/A ARG 163.A NH1.B GLU 48.A OE1 no hydrogen 3.275 N/A ARG 163.A NH2.B GLU 159.A OE2 no hydrogen 3.309 N/A TYR 164.A N TRP 160.A O no hydrogen 2.869 N/A TYR 164.A OH TYR 52.A OH no hydrogen 2.528 N/A LEU 165.A N LEU 161.A O no hydrogen 2.949 N/A GLU 166.A N ARG 162.A O no hydrogen 3.098 N/A ASN 167.A N ARG 163.A O.A no hydrogen 2.942 N/A ASN 167.A N ARG 163.A O.B no hydrogen 2.950 N/A GLY 168.A N TYR 164.A O no hydrogen 2.744 N/A LYS 169.A NZ GLU 166.A OE2 no hydrogen 2.559 N/A THR 171.A N GLY 168.A O no hydrogen 3.080 N/A THR 171.A OG1 GLY 168.A O no hydrogen 3.107 N/A LEU 172.A N GLY 168.A O no hydrogen 2.759 N/A GLU 173.A N LYS 169.A O no hydrogen 2.958 N/A ARG 174.A N THR 171.A O no hydrogen 3.123 N/A ARG 174.A NE ASP 176.A OD1 no hydrogen 2.759 N/A ARG 174.A NH1 ASP 170.A O no hydrogen 2.728 N/A ARG 174.A NH2 ASP 176.A OD2 no hydrogen 3.191 N/A ASP 176.A N TYR 202.A O no hydrogen 2.774 N/A LYS 179.A N LEU 199.A O no hydrogen 2.770 N/A HIS 181.A N TRP 197.A O no hydrogen 3.390 N/A THR 183.A N ARG 195.A O no hydrogen 2.890 N/A THR 183.A OG1 ARG 195.A O no hydrogen 3.544 N/A HIS 184.A NE2 GLU 247.A OE2 no hydrogen 2.976 N/A HIS 185.A N THR 193.A O no hydrogen 2.822 N/A ILE 187.A N GLU 191.A O no hydrogen 2.925 N/A SER 188.A N GLU 191.A O no hydrogen 3.302 N/A SER 188.A OG HIS 190.A ND1 no hydrogen 3.154 N/A HIS 190.A N SER 188.A OG no hydrogen 3.170 N/A HIS 190.A ND1 SER 188.A OG no hydrogen 3.154 N/A ALA 192.A N VAL 242.A O no hydrogen 2.908 N/A THR 193.A N HIS 185.A O no hydrogen 2.766 N/A LEU 194.A N VAL 240.A O no hydrogen 2.900 N/A ARG 195.A N THR 183.A O no hydrogen 2.977 N/A CYS 196.A N ALA 238.A O no hydrogen 2.768 N/A TRP 197.A N HIS 181.A O no hydrogen 2.881 N/A TRP 197.A NE1 THR 183.A OG1 no hydrogen 3.187 N/A ALA 198.A N LYS 236.A O no hydrogen 2.876 N/A LEU 199.A N LYS 179.A O no hydrogen 2.842 N/A PHE 201.A N PHE 234.A O no hydrogen 3.322 N/A TYR 202.A N ASP 176.A O no hydrogen 2.946 N/A TYR 202.A OH THR 31.A OG1 no hydrogen 2.821 N/A ALA 204.A N ASP 30.A OD2 no hydrogen 2.839 N/A THR 207.A N.A GLN 255.A O no hydrogen 3.047 N/A THR 207.A N.B GLN 255.A O no hydrogen 3.068 N/A THR 207.A OG1.B GLN 255.A OE1 no hydrogen 3.263 N/A THR 209.A N HIS 253.A O no hydrogen 3.038 N/A TRP 210.A NE1 ALA 238.A O no hydrogen 2.888 N/A GLN 211.A N THR 251.A O no hydrogen 2.869 N/A ARG 212.A N GLU 215.A O no hydrogen 2.845 N/A ARG 212.A NH1 GLU 246.A OE1 no hydrogen 2.988 N/A ARG 212.A NH1 TYR 250.A OH no hydrogen 2.653 N/A ARG 212.A NH2 GLU 246.A OE1 no hydrogen 3.447 N/A ASP 213.A N ARG 249.A O no hydrogen 2.925 N/A GLU 215.A N ARG 212.A O no hydrogen 2.828 N/A GLN 217.A N TRP 210.A O no hydrogen 3.018 N/A THR 218.A OG1 ASP 216.A OD2 no hydrogen 2.920 N/A ASP 220.A N GLN 217.A O no hydrogen 3.127 N/A THR 221.A OG1 GLN 217.A O no hydrogen 2.572 N/A GLU 222.A N ALA 239.A O no hydrogen 2.814 N/A VAL 224.A N TRP 237.A O no hydrogen 3.290 N/A ARG 227.A N GLN 235.A O no hydrogen 2.925 N/A ARG 227.A NE GLN 235.A OE1 no hydrogen 2.905 N/A ARG 227.A NH2 GLN 235.A OE1 no hydrogen 3.169 N/A ALA 229.A N THR 233.A O no hydrogen 2.841 N/A ARG 232.A NE.B ASP 176.A OD2 no hydrogen 3.307 N/A ARG 232.A NH1.A ASP 176.A OD2 no hydrogen 2.818 N/A ARG 232.A NH1.B THR 171.A O no hydrogen 2.902 N/A ARG 232.A NH2.A THR 171.A O no hydrogen 2.462 N/A ARG 232.A NH2.B THR 171.A O no hydrogen 3.441 N/A ARG 232.A NH2.B ARG 174.A O no hydrogen 2.921 N/A ARG 232.A NH2.B ASP 176.A OD2 no hydrogen 2.858 N/A THR 233.A N ASP 231.A OD2 no hydrogen 3.033 N/A THR 233.A OG1 ASP 231.A OD2 no hydrogen 2.571 N/A PHE 234.A N PHE 201.A O no hydrogen 2.812 N/A GLN 235.A N ARG 227.A O no hydrogen 2.769 N/A LYS 236.A N ALA 198.A O no hydrogen 2.953 N/A LYS 236.A NZ VAL 224.A O no hydrogen 2.843 N/A LYS 236.A NZ THR 226.A OG1 no hydrogen 3.030 N/A ALA 238.A N CYS 196.A O no hydrogen 2.983 N/A ALA 239.A N GLU 222.A O no hydrogen 2.813 N/A VAL 240.A N LEU 194.A O no hydrogen 2.965 N/A VAL 242.A N ALA 192.A O no hydrogen 2.783 N/A SER 244.A N HIS 190.A O no hydrogen 2.948 N/A SER 244.A OG ASP 189.A O no hydrogen 2.959 N/A GLY 245.A N GLU 247.A OE1 no hydrogen 3.013 N/A GLU 246.A N PRO 243.A O no hydrogen 2.983 N/A GLU 247.A N GLU 247.A OE1 no hydrogen 2.726 N/A GLN 248.A NE2 TRP 267.A O no hydrogen 3.087 N/A ARG 249.A N GLU 246.A O no hydrogen 3.055 N/A ARG 249.A NE ASP 213.A OD1 no hydrogen 2.939 N/A ARG 249.A NH2 ASP 213.A OD2 no hydrogen 2.599 N/A TYR 250.A N GLU 247.A O no hydrogen 3.099 N/A THR 251.A N GLN 211.A O no hydrogen 2.958 N/A THR 251.A OG1 HIS 253.A NE2 no hydrogen 2.846 N/A CYS 252.A N LEU 265.A O no hydrogen 2.688 N/A CYS 252.A SG THR 209.A O no hydrogen 3.772 N/A HIS 253.A N THR 209.A O no hydrogen 2.783 N/A HIS 253.A NE2 THR 251.A OG1 no hydrogen 2.846 N/A VAL 254.A N LEU 263.A O no hydrogen 3.069 N/A GLN 255.A N THR 207.A O.A no hydrogen 3.012 N/A GLN 255.A N THR 207.A O.B no hydrogen 3.020 N/A HIS 256.A NE2 PRO 203.A O no hydrogen 2.950 N/A GLY 258.A N HIS 256.A ND1 no hydrogen 2.886 N/A LEU 259.A N HIS 256.A O no hydrogen 2.977 N/A LEU 263.A N VAL 254.A O no hydrogen 3.008 N/A LEU 265.A N CYS 252.A O no hydrogen 2.783 N/A