Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4rj2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N ALA 7.A O no hydrogen 3.027 N/A THR 2.A N ILE 5.A O no hydrogen 2.971 N/A THR 2.A OG1 ILE 5.A O no hydrogen 3.536 N/A THR 2.A OG1 GLU 75.A OE1 no hydrogen 2.670 N/A HIS 4.A N GLU 75.A OE1 no hydrogen 2.988 N/A HIS 4.A ND1 GLU 75.A OE2 no hydrogen 2.672 N/A ILE 5.A N THR 2.A O no hydrogen 3.230 N/A ASN 6.A N ASN 40.A OD1 no hydrogen 2.969 N/A GLU 8.A N ASP 11.A OD2 no hydrogen 2.915 N/A ASP 11.A N GLU 8.A O no hydrogen 2.893 N/A ALA 13.A N SER 58.A OG no hydrogen 2.828 N/A VAL 16.A N LYS 84.A O no hydrogen 3.023 N/A LEU 17.A N SER 58.A O no hydrogen 2.884 N/A MET 18.A N ILE 86.A O no hydrogen 2.784 N/A LEU 23.A N.A ASP 21.A OD1 no hydrogen 2.850 N/A LEU 23.A N.B ASP 21.A OD1 no hydrogen 2.849 N/A ARG 24.A N.B ASP 21.A O no hydrogen 2.921 N/A ARG 24.A NH1.A GLN 218.A OE1 no hydrogen 3.283 N/A ARG 24.A NH2.B GLN 218.A OE1 no hydrogen 3.199 N/A ALA 25.A N ASP 21.A O no hydrogen 3.218 N/A LYS 26.A N.A PRO 22.A O no hydrogen 3.077 N/A LYS 26.A N.B PRO 22.A O no hydrogen 3.072 N/A LYS 26.A NZ.A GLU 30.A OE2 no hydrogen 2.751 N/A LYS 26.A NZ.B GLU 30.A OE2 no hydrogen 3.015 N/A TYR 27.A N LEU 23.A O.A no hydrogen 2.977 N/A TYR 27.A N LEU 23.A O.B no hydrogen 3.078 N/A ILE 28.A N ARG 24.A O.A no hydrogen 2.843 N/A ILE 28.A N ARG 24.A O.B no hydrogen 2.856 N/A ALA 29.A N ALA 25.A O no hydrogen 2.913 N/A GLU 30.A N LYS 26.A O.A no hydrogen 2.984 N/A GLU 30.A N LYS 26.A O.B no hydrogen 2.993 N/A THR 31.A N TYR 27.A O no hydrogen 2.899 N/A THR 31.A OG1 TYR 27.A O no hydrogen 2.756 N/A PHE 32.A N ILE 28.A O no hydrogen 2.877 N/A LEU 33.A N ALA 29.A O no hydrogen 3.376 N/A GLU 34.A N THR 51.A O no hydrogen 2.788 N/A ARG 37.A N THR 49.A O no hydrogen 2.892 N/A ARG 37.A NH2 ASP 11.A OD1 no hydrogen 2.944 N/A VAL 39.A N GLY 47.A O no hydrogen 2.775 N/A ASN 40.A N GLY 47.A O no hydrogen 3.264 N/A ASN 40.A ND2 MET 45.A O no hydrogen 2.896 N/A VAL 42.A N ASN 40.A OD1 no hydrogen 3.288 N/A GLY 44.A N ASN 41.A O no hydrogen 2.918 N/A MET 45.A N VAL 42.A O no hydrogen 2.951 N/A LEU 46.A N GLY 44.A O no hydrogen 2.946 N/A GLY 47.A N ASN 40.A O no hydrogen 3.057 N/A PHE 48.A N VAL 59.A O no hydrogen 2.815 N/A THR 49.A N ARG 37.A O no hydrogen 2.923 N/A THR 49.A OG1 ASP 11.A O no hydrogen 2.670 N/A THR 49.A OG1 SER 58.A OG no hydrogen 2.716 N/A GLY 50.A N ILE 57.A O.A no hydrogen 2.984 N/A GLY 50.A N ILE 57.A O.B no hydrogen 2.952 N/A THR 51.A N GLU 34.A O no hydrogen 2.978 N/A TYR 52.A N ARG 55.A O no hydrogen 2.840 N/A TYR 52.A OH GLU 230.A OE2 no hydrogen 2.596 N/A LYS 53.A NZ GLU 230.A OE2 no hydrogen 2.773 N/A ARG 55.A N TYR 52.A O no hydrogen 2.909 N/A ARG 55.A NE ASP 236.A OD2 no hydrogen 2.780 N/A ARG 55.A NH1 ASP 14.A OD2 no hydrogen 2.922 N/A ARG 55.A NH1 LYS 56.A O no hydrogen 2.853 N/A ARG 55.A NH2 ASP 14.A OD2 no hydrogen 3.062 N/A ARG 55.A NH2 ASP 236.A OD1 no hydrogen 3.116 N/A LYS 56.A NZ GLY 10.A O no hydrogen 2.849 N/A ILE 57.A N.A GLY 50.A O no hydrogen 2.912 N/A ILE 57.A N.B GLY 50.A O no hydrogen 2.891 N/A SER 58.A N VAL 15.A O.A no hydrogen 3.227 N/A SER 58.A N VAL 15.A O.B no hydrogen 3.191 N/A SER 58.A OG THR 49.A OG1 no hydrogen 2.716 N/A VAL 59.A N PHE 48.A O no hydrogen 2.903 N/A MET 60.A N.A LEU 17.A O no hydrogen 2.947 N/A MET 60.A N.B LEU 17.A O no hydrogen 2.946 N/A GLY 61.A N LEU 46.A O no hydrogen 3.184 N/A HIS 62.A N PRO 19.A O no hydrogen 2.978 N/A HIS 62.A ND1 GLY 63.A O no hydrogen 2.660 N/A GLY 63.A N GLY 20.A O no hydrogen 3.018 N/A GLY 65.A N GLU 181.A OE1 no hydrogen 2.846 N/A SER 68.A OG HIS 62.A O no hydrogen 2.789 N/A CYS 69.A N GLY 65.A O no hydrogen 3.064 N/A CYS 69.A SG GLY 65.A O no hydrogen 3.520 N/A CYS 69.A SG ILE 66.A O no hydrogen 3.601 N/A CYS 69.A SG GLU 181.A O no hydrogen 3.762 N/A SER 70.A N ILE 66.A O no hydrogen 2.925 N/A SER 70.A OG ILE 66.A O no hydrogen 2.668 N/A ILE 71.A N PRO 67.A O no hydrogen 3.398 N/A TYR 72.A N SER 68.A O no hydrogen 3.406 N/A THR 73.A N CYS 69.A O no hydrogen 2.961 N/A THR 73.A OG1 CYS 69.A O no hydrogen 2.811 N/A THR 73.A OG1 SER 70.A O no hydrogen 3.568 N/A LYS 74.A N SER 70.A O no hydrogen 3.119 N/A LYS 74.A NZ THR 78.A OG1 no hydrogen 3.005 N/A GLU 75.A N ILE 71.A O no hydrogen 3.048 N/A LEU 76.A N TYR 72.A O no hydrogen 2.985 N/A ILE 77.A N THR 73.A O no hydrogen 3.036 N/A THR 78.A N LYS 74.A O no hydrogen 2.868 N/A THR 78.A OG1 LYS 74.A O no hydrogen 3.107 N/A THR 78.A OG1 ASP 79.A OD2 no hydrogen 2.650 N/A ASP 79.A N GLU 75.A O no hydrogen 2.991 N/A PHE 80.A N LEU 76.A O no hydrogen 3.070 N/A VAL 82.A N LEU 76.A O no hydrogen 3.188 N/A LYS 83.A N ASP 14.A O no hydrogen 2.809 N/A LYS 83.A NZ GLY 81.A O no hydrogen 3.328 N/A LYS 84.A N ASP 14.A O no hydrogen 3.083 N/A ILE 85.A N LYS 195.A O no hydrogen 2.998 N/A ILE 86.A N VAL 16.A O no hydrogen 2.963 N/A ARG 87.A N LEU 197.A O no hydrogen 2.811 N/A ARG 87.A NE GLU 179.A OE1 no hydrogen 2.984 N/A ARG 87.A NH1 HIS 62.A NE2 no hydrogen 2.914 N/A ARG 87.A NH2 GLU 179.A OE1 no hydrogen 3.383 N/A VAL 88.A N MET 18.A O no hydrogen 2.993 N/A GLY 89.A N ILE 199.A O no hydrogen 2.920 N/A CYS 91.A N THR 201.A O no hydrogen 2.945 N/A CYS 91.A SG THR 201.A O no hydrogen 3.940 N/A GLY 92.A N VAL 178.A O no hydrogen 2.920 N/A ALA 93.A N ASP 204.A O.A no hydrogen 2.909 N/A ALA 93.A N ASP 204.A O.B no hydrogen 2.894 N/A VAL 98.A N LEU 95.A O no hydrogen 3.074 N/A LYS 99.A N ASP 102.A OD2 no hydrogen 2.934 N/A LYS 99.A NZ PRO 96.A O no hydrogen 2.878 N/A ARG 101.A N VAL 202.A O no hydrogen 2.851 N/A ASP 102.A N LYS 99.A O no hydrogen 3.038 N/A VAL 104.A N.A CYS 200.A O no hydrogen 2.762 N/A VAL 104.A N.B CYS 200.A O no hydrogen 2.890 N/A ILE 105.A N ARG 149.A O no hydrogen 2.782 N/A GLY 106.A N THR 198.A O no hydrogen 2.975 N/A MET 107.A N.A ILE 105.A O no hydrogen 3.193 N/A MET 107.A N.B ILE 105.A O no hydrogen 3.189 N/A MET 107.A N.B GLY 151.A O no hydrogen 2.827 N/A GLY 108.A N GLY 151.A O no hydrogen 3.344 N/A ALA 109.A N ALA 127.A O no hydrogen 2.882 N/A CYS 110.A N LEU 153.A O no hydrogen 2.810 N/A THR 111.A OG1 SER 155.A O no hydrogen 2.726 N/A SER 113.A N THR 111.A OG1 no hydrogen 3.003 N/A VAL 115.A N SER 113.A OG no hydrogen 3.050 N/A ASN 116.A ND2 ALA 183.A O no hydrogen 3.388 N/A ILE 118.A N LYS 114.A O no hydrogen 2.960 N/A ARG 119.A N VAL 115.A O no hydrogen 3.144 N/A ARG 119.A NE GLU 191.A OE1 no hydrogen 2.884 N/A ARG 119.A NH1 ASN 116.A OD1 no hydrogen 2.839 N/A ARG 119.A NH2 GLU 191.A OE1 no hydrogen 3.284 N/A PHE 120.A N ASN 116.A O no hydrogen 2.850 N/A PHE 120.A N ARG 117.A O no hydrogen 3.272 N/A ASP 122.A N ARG 117.A O no hydrogen 2.899 N/A HIS 123.A N PHE 120.A O no hydrogen 3.007 N/A ALA 129.A N MET 107.A O.A no hydrogen 2.948 N/A ALA 129.A N MET 107.A O.B no hydrogen 2.958 N/A ASP 130.A N ALA 196.A O no hydrogen 2.993 N/A MET 133.A N ASP 130.A OD2 no hydrogen 2.952 N/A VAL 134.A N ASP 130.A O no hydrogen 3.067 N/A ARG 135.A N PHE 131.A O no hydrogen 2.952 N/A ARG 135.A NE ASP 132.A OD1 no hydrogen 3.036 N/A ARG 135.A NH2 ASP 132.A OD1 no hydrogen 2.841 N/A ASN 136.A N ASP 132.A O no hydrogen 2.868 N/A ALA 137.A N MET 133.A O no hydrogen 3.021 N/A VAL 138.A N VAL 134.A O no hydrogen 2.944 N/A ASP 139.A N ARG 135.A O no hydrogen 2.944 N/A ALA 140.A N ASN 136.A O no hydrogen 2.905 N/A ALA 141.A N ALA 137.A O no hydrogen 2.933 N/A LYS 142.A N VAL 138.A O no hydrogen 2.965 N/A ALA 143.A N ASP 139.A O no hydrogen 3.040 N/A LEU 144.A N.A ALA 140.A O no hydrogen 3.253 N/A LEU 144.A N.A ALA 141.A O no hydrogen 2.939 N/A LEU 144.A N.B ALA 140.A O no hydrogen 3.267 N/A LEU 144.A N.B ALA 141.A O no hydrogen 2.943 N/A GLY 145.A N LYS 142.A O no hydrogen 2.967 N/A ILE 146.A N ALA 141.A O no hydrogen 2.914 N/A ARG 149.A N VAL 103.A O.A no hydrogen 3.034 N/A ARG 149.A N VAL 103.A O.B no hydrogen 3.010 N/A ARG 149.A NE ASP 102.A OD2 no hydrogen 2.860 N/A ARG 149.A NH2 ASP 102.A OD2 no hydrogen 2.972 N/A GLY 151.A N ILE 105.A O no hydrogen 3.033 N/A LEU 153.A N GLY 108.A O no hydrogen 2.950 N/A PHE 154.A N GLY 177.A O no hydrogen 2.848 N/A SER 155.A N CYS 110.A O no hydrogen 2.800 N/A SER 155.A OG GLU 179.A OE2 no hydrogen 2.662 N/A ALA 156.A N GLU 179.A O no hydrogen 2.837 N/A ASP 157.A N ASP 112.A OD2 no hydrogen 2.925 N/A ASP 163.A N.A SER 161.A OG no hydrogen 3.097 N/A ASP 163.A N.B SER 161.A OG no hydrogen 2.993 N/A MET 166.A N ASP 163.A O.A no hydrogen 3.151 N/A MET 166.A N ASP 163.A O.B no hydrogen 2.953 N/A PHE 167.A N GLY 164.A O no hydrogen 3.214 N/A MET 170.A N MET 166.A O no hydrogen 2.907 N/A GLU 171.A N.A PHE 167.A O no hydrogen 2.966 N/A GLU 171.A N.B PHE 167.A O no hydrogen 2.986 N/A LYS 172.A N.A ASP 168.A O no hydrogen 2.909 N/A LYS 172.A N.B ASP 168.A O no hydrogen 2.933 N/A TYR 173.A N VAL 169.A O no hydrogen 3.111 N/A GLY 174.A N GLU 171.A O.A no hydrogen 3.145 N/A GLY 174.A N GLU 171.A O.B no hydrogen 3.087 N/A ILE 175.A N MET 170.A O no hydrogen 3.015 N/A LEU 176.A N ASN 152.A O no hydrogen 2.810 N/A VAL 178.A N GLY 92.A O no hydrogen 2.795 N/A GLU 179.A N PHE 154.A O no hydrogen 2.857 N/A GLU 181.A N GLU 179.A OE1 no hydrogen 3.010 N/A ALA 182.A N GLU 179.A OE1 no hydrogen 2.896 N/A ALA 182.A N GLU 179.A OE2 no hydrogen 3.388 N/A ALA 183.A N SER 155.A OG no hydrogen 2.872 N/A GLY 184.A N GLU 181.A O no hydrogen 2.903 N/A ILE 185.A N GLU 181.A O no hydrogen 3.092 N/A TYR 186.A N ALA 182.A O no hydrogen 2.861 N/A TYR 186.A OH GLY 106.A O no hydrogen 2.559 N/A GLY 187.A N ALA 183.A O no hydrogen 3.038 N/A VAL 188.A N GLY 184.A O no hydrogen 3.029 N/A ALA 189.A N ILE 185.A O no hydrogen 2.879 N/A ALA 190.A N TYR 186.A O no hydrogen 3.072 N/A GLU 191.A N GLY 187.A O no hydrogen 2.916 N/A PHE 192.A N VAL 188.A O no hydrogen 2.893 N/A ALA 194.A N ALA 189.A O no hydrogen 2.917 N/A LYS 195.A N LYS 83.A O no hydrogen 3.123 N/A LEU 197.A N ILE 85.A O no hydrogen 2.964 N/A THR 198.A N TYR 186.A OH no hydrogen 2.821 N/A ILE 199.A N ARG 87.A O no hydrogen 2.891 N/A CYS 200.A N VAL 104.A O.A no hydrogen 2.834 N/A CYS 200.A N VAL 104.A O.B no hydrogen 2.896 N/A THR 201.A N GLY 89.A O no hydrogen 2.965 N/A VAL 202.A N ASP 102.A O no hydrogen 2.883 N/A SER 203.A N CYS 91.A O no hydrogen 2.910 N/A SER 203.A OG CYS 91.A O no hydrogen 3.422 N/A SER 203.A OG ASP 204.A OD1.A no hydrogen 3.104 N/A HIS 205.A N GLU 210.A O no hydrogen 2.847 N/A HIS 205.A NE2 LEU 95.A O no hydrogen 2.829 N/A ILE 206.A N ALA 93.A O no hydrogen 2.781 N/A ARG 207.A N.A HIS 205.A ND1 no hydrogen 3.249 N/A ARG 207.A N.B HIS 205.A ND1 no hydrogen 3.264 N/A THR 212.A N SER 203.A O no hydrogen 2.958 N/A THR 212.A OG1 SER 203.A O no hydrogen 2.788 N/A THR 213.A N GLU 216.A OE1 no hydrogen 3.519 N/A GLU 216.A N THR 213.A OG1 no hydrogen 3.135 N/A ARG 217.A N THR 213.A O no hydrogen 3.058 N/A GLN 218.A N ALA 214.A O no hydrogen 3.182 N/A THR 219.A N ALA 215.A O no hydrogen 3.190 N/A THR 219.A OG1 ALA 215.A O no hydrogen 3.331 N/A THR 219.A OG1 GLU 216.A O no hydrogen 3.336 N/A THR 220.A N.A GLU 216.A O no hydrogen 3.300 N/A THR 220.A N.B GLU 216.A O no hydrogen 3.310 N/A THR 220.A OG1.B GLU 216.A O no hydrogen 3.097 N/A PHE 221.A N ARG 217.A O no hydrogen 2.947 N/A ASN 222.A N GLN 218.A O no hydrogen 2.974 N/A ASN 222.A ND2 TYR 27.A OH no hydrogen 2.669 N/A ASN 222.A ND2 GLN 218.A OE1 no hydrogen 3.359 N/A ASP 223.A N THR 219.A O no hydrogen 3.170 N/A MET 224.A N THR 220.A O.A no hydrogen 2.943 N/A MET 224.A N THR 220.A O.B no hydrogen 3.000 N/A ILE 225.A N PHE 221.A O no hydrogen 2.977 N/A LYS 226.A N.A ASN 222.A O no hydrogen 3.008 N/A LYS 226.A N.B ASN 222.A O no hydrogen 3.005 N/A ILE 227.A N ASP 223.A O no hydrogen 2.914 N/A ALA 228.A N MET 224.A O no hydrogen 2.946 N/A LEU 229.A N ILE 225.A O no hydrogen 2.930 N/A GLU 230.A N LYS 226.A O.A no hydrogen 2.880 N/A GLU 230.A N LYS 226.A O.B no hydrogen 2.891 N/A SER 231.A N ILE 227.A O no hydrogen 2.830 N/A SER 231.A OG ALA 228.A O no hydrogen 2.731 N/A VAL 232.A N ALA 228.A O no hydrogen 3.258 N/A VAL 232.A N LEU 229.A O no hydrogen 3.188 N/A LEU 233.A N LEU 229.A O no hydrogen 3.446 N/A LEU 234.A N GLU 230.A O no hydrogen 3.087 N/A GLY 235.A N SER 231.A O no hydrogen 2.983 N/A ASP 236.A N VAL 232.A O no hydrogen 2.995 N/A LYS 237.A N.A LEU 234.A O no hydrogen 3.033 N/A LYS 237.A N.B LEU 234.A O no hydrogen 3.026 N/A