Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1jkv_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 4.A NE2 GLU 71.A OE2 no hydrogen 2.752 N/A LYS 7.A N THR 5.A OG1 no hydrogen 3.385 N/A GLN 9.A NE2 GLU 65.A OE2 no hydrogen 3.153 N/A TYR 10.A OH ASP 169.A OD1 no hydrogen 2.707 N/A TYR 10.A OH ASP 169.A OD2 no hydrogen 3.353 N/A ASN 11.A ND2 ASP 169.A OD2 no hydrogen 3.547 N/A ASP 15.A N ASP 164.A OD1 no hydrogen 2.906 N/A ARG 16.A N ASP 164.A OD2 no hydrogen 2.960 N/A ARG 16.A NE SER 17.A O no hydrogen 3.540 N/A ASP 18.A N LEU 80.A O no hydrogen 2.907 N/A ILE 20.A N ASP 18.A OD1 no hydrogen 3.134 N/A MET 21.A N ASP 18.A OD1 no hydrogen 3.083 N/A ALA 22.A N ASP 18.A O no hydrogen 3.058 N/A ARG 23.A N PRO 19.A O no hydrogen 3.153 N/A ARG 23.A NE PRO 121.A O no hydrogen 2.768 N/A ARG 23.A NH1 GLY 103.A O no hydrogen 2.951 N/A ARG 23.A NH2 PRO 121.A O no hydrogen 3.320 N/A ARG 23.A NH2 ASN 122.A OD1 no hydrogen 3.201 N/A ARG 24.A N ILE 20.A O no hydrogen 3.048 N/A LEU 25.A N MET 21.A O no hydrogen 2.959 N/A GLN 26.A N ARG 23.A O no hydrogen 3.179 N/A GLN 26.A NE2 SER 117.A O no hydrogen 2.853 N/A GLN 26.A NE2 ASN 119.A O no hydrogen 2.939 N/A GLU 27.A N ARG 24.A O no hydrogen 2.976 N/A SER 28.A N LEU 25.A O no hydrogen 2.975 N/A LEU 29.A N LEU 25.A O no hydrogen 3.305 N/A LEU 29.A N GLN 26.A O no hydrogen 3.255 N/A GLY 30.A N GLN 26.A O no hydrogen 2.831 N/A GLY 31.A N GLU 27.A O no hydrogen 2.980 N/A GLY 34.A N GLY 31.A O no hydrogen 3.141 N/A GLU 35.A N SER 28.A O no hydrogen 2.806 N/A THR 36.A OG1 LEU 29.A O no hydrogen 2.823 N/A THR 37.A OG1 GLY 31.A O no hydrogen 3.402 N/A THR 37.A OG1 GLN 32.A O no hydrogen 2.833 N/A GLY 38.A N GLY 34.A O no hydrogen 3.096 N/A MET 39.A N GLU 35.A O no hydrogen 2.879 N/A MET 40.A N THR 36.A O no hydrogen 2.942 N/A SER 41.A N THR 37.A O no hydrogen 2.935 N/A SER 41.A OG THR 37.A O no hydrogen 2.806 N/A TYR 42.A N GLY 38.A O no hydrogen 2.933 N/A TYR 42.A OH GLU 148.A OE2 no hydrogen 2.637 N/A LEU 43.A N MET 39.A O no hydrogen 3.085 N/A SER 44.A N MET 40.A O no hydrogen 3.026 N/A SER 44.A OG MET 40.A O no hydrogen 2.668 N/A GLN 45.A N SER 41.A O no hydrogen 2.944 N/A GLN 45.A NE2 THR 132.A O no hydrogen 2.989 N/A GLN 45.A NE2 ASN 144.A OD1 no hydrogen 2.997 N/A GLY 46.A N TYR 42.A O no hydrogen 2.866 N/A TRP 47.A N LEU 43.A O no hydrogen 2.856 N/A ALA 48.A N SER 44.A O no hydrogen 3.022 N/A SER 49.A N GLY 46.A O no hydrogen 3.233 N/A GLY 51.A N SER 49.A OG no hydrogen 3.049 N/A LYS 54.A NZ GLU 191.A OE1 no hydrogen 2.853 N/A LYS 54.A NZ GLU 191.A OE2 no hydrogen 2.948 N/A TYR 55.A N ALA 52.A O no hydrogen 3.152 N/A TYR 55.A OH GLU 191.A OE1 no hydrogen 2.721 N/A LYS 56.A N ALA 52.A O no hydrogen 3.091 N/A LYS 56.A NZ GLY 46.A O no hydrogen 2.718 N/A LYS 56.A NZ SER 49.A O no hydrogen 2.764 N/A ASP 57.A N GLU 53.A O no hydrogen 2.919 N/A LEU 58.A N LYS 54.A O no hydrogen 3.291 N/A LEU 59.A N TYR 55.A O no hydrogen 2.990 N/A LEU 60.A N LYS 56.A O no hydrogen 3.107 N/A ASP 61.A N ASP 57.A O no hydrogen 2.816 N/A THR 62.A N LEU 58.A O no hydrogen 2.941 N/A THR 62.A OG1 LEU 58.A O no hydrogen 2.858 N/A GLY 63.A N LEU 59.A O no hydrogen 2.818 N/A THR 64.A N LEU 60.A O no hydrogen 3.102 N/A THR 64.A OG1 LEU 60.A O no hydrogen 2.803 N/A GLU 65.A N ASP 61.A O no hydrogen 3.029 N/A GLU 66.A N THR 62.A O no hydrogen 2.871 N/A MET 67.A N GLY 63.A O no hydrogen 3.276 N/A HIS 69.A N GLU 65.A O no hydrogen 3.203 N/A HIS 69.A ND1 GLU 35.A OE1 no hydrogen 3.123 N/A HIS 69.A NE2 GLN 9.A OE1 no hydrogen 2.772 N/A VAL 70.A N GLU 66.A O no hydrogen 2.859 N/A GLU 71.A N MET 67.A O no hydrogen 3.098 N/A MET 72.A N ALA 68.A O no hydrogen 3.003 N/A ILE 73.A N HIS 69.A O no hydrogen 2.898 N/A SER 74.A N VAL 70.A O no hydrogen 2.989 N/A SER 74.A OG.B VAL 70.A O no hydrogen 2.862 N/A THR 75.A N GLU 71.A O no hydrogen 2.989 N/A THR 75.A OG1 GLU 71.A O no hydrogen 2.859 N/A MET 76.A N MET 72.A O no hydrogen 2.901 N/A ILE 77.A N ILE 73.A O no hydrogen 2.928 N/A GLY 78.A N SER 74.A O no hydrogen 3.048 N/A TYR 79.A N THR 75.A O no hydrogen 2.960 N/A LEU 80.A N MET 76.A O no hydrogen 2.883 N/A LEU 81.A N ILE 77.A O no hydrogen 3.000 N/A LEU 81.A N GLY 78.A O no hydrogen 3.299 N/A GLU 82.A N TYR 79.A O no hydrogen 3.129 N/A ALA 84.A N LEU 81.A O no hydrogen 3.096 N/A PHE 86.A N ASP 90.A OD2 no hydrogen 2.938 N/A GLY 87.A N ASP 90.A OD2 no hydrogen 2.961 N/A ASP 90.A N GLY 87.A O no hydrogen 2.998 N/A LEU 91.A N GLY 87.A O no hydrogen 3.379 N/A LYS 92.A N PRO 88.A O no hydrogen 2.901 N/A ARG 93.A N GLU 89.A O no hydrogen 3.105 N/A ARG 93.A NH1 ASP 90.A OD1 no hydrogen 2.973 N/A ARG 93.A NH2 ASP 90.A OD1 no hydrogen 3.491 N/A ASP 94.A N ASP 90.A O no hydrogen 3.023 N/A SER 96.A N ASP 94.A OD1 no hydrogen 3.171 N/A SER 96.A OG ASP 94.A OD1 no hydrogen 2.628 N/A SER 96.A OG ASP 94.A OD2 no hydrogen 3.313 N/A LEU 97.A N ASP 94.A O no hydrogen 2.998 N/A ALA 98.A N PRO 95.A O no hydrogen 3.194 N/A THR 99.A N SER 96.A O no hydrogen 3.221 N/A MET 101.A N LEU 97.A O no hydrogen 2.950 N/A ALA 102.A N ALA 98.A O no hydrogen 2.986 N/A GLY 103.A N THR 99.A O no hydrogen 3.287 N/A GLY 103.A N THR 100.A O no hydrogen 3.151 N/A MET 104.A N MET 101.A O no hydrogen 3.171 N/A GLU 107.A N ASP 105.A OD1 no hydrogen 2.845 N/A HIS 108.A N ASP 105.A O no hydrogen 3.028 N/A HIS 108.A NE2 GLN 26.A OE1 no hydrogen 2.824 N/A SER 109.A OG PRO 106.A O no hydrogen 3.248 N/A LEU 110.A N PRO 106.A O no hydrogen 3.320 N/A VAL 111.A N GLU 107.A O no hydrogen 2.989 N/A HIS 112.A N GLU 107.A O no hydrogen 3.206 N/A GLY 113.A N SER 109.A O no hydrogen 3.048 N/A LEU 114.A N HIS 108.A O no hydrogen 2.720 N/A ASN 115.A ND2 HIS 112.A O no hydrogen 3.060 N/A SER 117.A N GLN 26.A OE1 no hydrogen 3.022 N/A ASN 119.A N SER 117.A OG no hydrogen 2.976 N/A ASN 120.A N ALA 124.A O no hydrogen 2.962 N/A ASN 122.A N ASN 120.A OD1 no hydrogen 2.839 N/A GLY 123.A N ASN 120.A O no hydrogen 3.044 N/A ALA 124.A N ASN 120.A OD1 no hydrogen 3.122 N/A TRP 126.A N LEU 118.A O no hydrogen 3.094 N/A TRP 126.A NE1 THR 37.A OG1 no hydrogen 2.924 N/A GLY 129.A N ASN 127.A OD1 no hydrogen 2.830 N/A TYR 130.A N ASN 127.A O no hydrogen 3.078 N/A VAL 131.A N ALA 128.A O no hydrogen 2.955 N/A SER 134.A N ASP 140.A OD2 no hydrogen 2.792 N/A SER 134.A OG ASP 140.A OD1 no hydrogen 2.757 N/A SER 134.A OG ASP 140.A OD2 no hydrogen 3.344 N/A ASN 136.A N SER 134.A OG no hydrogen 3.019 N/A ALA 139.A N ASN 136.A OD1 no hydrogen 2.957 N/A ASP 140.A N ASN 136.A O no hydrogen 2.972 N/A MET 141.A N LEU 137.A O no hydrogen 2.822 N/A ARG 142.A N VAL 138.A O no hydrogen 3.417 N/A ARG 142.A NE GLU 193.A OE2 no hydrogen 3.105 N/A ARG 142.A NH2 GLU 193.A OE2 no hydrogen 2.770 N/A ARG 142.A NH2 ILE 198.A O no hydrogen 2.780 N/A PHE 143.A N ALA 139.A O no hydrogen 2.988 N/A ASN 144.A N ASP 140.A O no hydrogen 2.838 N/A ASN 144.A ND2 GLN 45.A OE1 no hydrogen 2.838 N/A VAL 145.A N MET 141.A O no hydrogen 2.994 N/A VAL 146.A N ARG 142.A O no hydrogen 3.046 N/A ARG 147.A N PHE 143.A O no hydrogen 2.796 N/A ARG 147.A NE TYR 42.A OH no hydrogen 3.097 N/A ARG 147.A NH1 TRP 33.A O no hydrogen 2.882 N/A ARG 147.A NH1 GLU 35.A OE2 no hydrogen 2.999 N/A ARG 147.A NH2 TYR 42.A OH no hydrogen 3.450 N/A GLU 148.A N ASN 144.A O no hydrogen 3.065 N/A SER 149.A N VAL 145.A O no hydrogen 2.945 N/A SER 149.A OG VAL 145.A O no hydrogen 2.737 N/A GLU 150.A N VAL 146.A O no hydrogen 2.861 N/A ALA 151.A N ARG 147.A O no hydrogen 2.989 N/A ARG 152.A N GLU 148.A O no hydrogen 2.973 N/A ARG 152.A NE LEU 175.A O no hydrogen 2.991 N/A LEU 153.A N SER 149.A O no hydrogen 2.990 N/A GLN 154.A N GLU 150.A O no hydrogen 3.117 N/A VAL 155.A N ALA 151.A O no hydrogen 2.879 N/A SER 156.A N ARG 152.A O no hydrogen 2.908 N/A SER 156.A OG ARG 152.A O no hydrogen 2.835 N/A ARG 157.A N LEU 153.A O no hydrogen 2.974 N/A LEU 158.A N GLN 154.A O no hydrogen 2.864 N/A TYR 159.A N VAL 155.A O no hydrogen 2.993 N/A SER 160.A N ARG 157.A O no hydrogen 2.949 N/A MET 161.A N LEU 158.A O no hydrogen 2.878 N/A ASP 164.A N THR 162.A OG1 no hydrogen 2.967 N/A GLY 166.A N ASP 164.A OD1 no hydrogen 2.900 N/A VAL 167.A N ASP 164.A OD1 no hydrogen 3.073 N/A ARG 168.A N ASP 164.A O no hydrogen 2.896 N/A ARG 168.A NE TYR 159.A O no hydrogen 3.052 N/A ARG 168.A NE THR 162.A O no hydrogen 3.149 N/A ARG 168.A NH2 TYR 159.A O no hydrogen 2.955 N/A ASP 169.A N GLU 165.A O no hydrogen 2.884 N/A MET 170.A N GLY 166.A O no hydrogen 3.354 N/A LEU 171.A N VAL 167.A O no hydrogen 3.051 N/A LYS 172.A N ARG 168.A O no hydrogen 2.822 N/A PHE 173.A N ASP 169.A O no hydrogen 3.270 N/A LEU 174.A N MET 170.A O no hydrogen 3.032 N/A LEU 175.A N LEU 171.A O no hydrogen 2.874 N/A ALA 176.A N LYS 172.A O no hydrogen 3.383 N/A ARG 177.A N PHE 173.A O no hydrogen 3.018 N/A ARG 177.A NE GLU 65.A OE2 no hydrogen 2.753 N/A ARG 177.A NH2 GLU 65.A OE1 no hydrogen 2.945 N/A ARG 177.A NH2 GLU 65.A OE2 no hydrogen 3.530 N/A GLU 178.A N LEU 174.A O no hydrogen 2.891 N/A THR 179.A N LEU 175.A O no hydrogen 2.967 N/A THR 179.A OG1 LEU 175.A O no hydrogen 3.315 N/A GLN 180.A N ALA 176.A O no hydrogen 3.045 N/A GLN 180.A NE2 GLN 184.A OE1 no hydrogen 2.958 N/A HIS 181.A N ARG 177.A O no hydrogen 2.853 N/A HIS 181.A NE2 GLU 65.A OE1 no hydrogen 2.925 N/A GLN 182.A N GLU 178.A O no hydrogen 2.882 N/A GLN 182.A NE2 GLU 148.A O no hydrogen 3.330 N/A LEU 183.A N THR 179.A O no hydrogen 2.981 N/A GLN 184.A N GLN 180.A O no hydrogen 2.836 N/A GLN 184.A NE2 THR 62.A OG1 no hydrogen 2.750 N/A PHE 185.A N HIS 181.A O no hydrogen 3.016 N/A MET 186.A N GLN 182.A O no hydrogen 2.921 N/A LYS 187.A N LEU 183.A O no hydrogen 2.965 N/A LYS 187.A NZ GLU 190.A OE2 no hydrogen 2.982 N/A ALA 188.A N GLN 184.A O no hydrogen 3.040 N/A GLN 189.A N PHE 185.A O no hydrogen 2.866 N/A GLN 189.A NE2 GLU 193.A OE2 no hydrogen 2.788 N/A GLU 190.A N MET 186.A O no hydrogen 2.885 N/A GLU 191.A N LYS 187.A O no hydrogen 3.012 N/A LEU 192.A N ALA 188.A O no hydrogen 2.928 N/A GLU 193.A N GLN 189.A O no hydrogen 2.849 N/A GLU 194.A N GLU 190.A O no hydrogen 3.044 N/A LYS 195.A N GLU 191.A O no hydrogen 3.086 N/A TYR 196.A N LEU 192.A O no hydrogen 2.881 N/A GLY 197.A N GLU 193.A O no hydrogen 2.872 N/A LYS 205.A NZ GLU 208.A OE2 no hydrogen 2.539 N/A GLU 208.A N MET 204.A O no hydrogen 3.091 N/A PHE 212.A N HIS 209.A O no hydrogen 3.058 N/A SER 213.A N SER 210.A O no hydrogen 3.033 N/A SER 213.A OG SER 210.A O no hydrogen 2.795 N/A SER 213.A OG HIS 214.A ND1 no hydrogen 2.914 N/A HIS 214.A ND1 SER 213.A OG no hydrogen 2.914 N/A HIS 214.A NE2 ASP 235.A OD1 no hydrogen 3.012 N/A HIS 214.A NE2 ASP 235.A OD2 no hydrogen 2.709 N/A LEU 216.A N THR 240.A O no hydrogen 2.870 N/A ASN 218.A N GLN 242.A O no hydrogen 3.093 N/A ASN 218.A ND2 GLU 243.A O no hydrogen 3.058 N/A PHE 219.A N MET 217.A O no hydrogen 3.098 N/A LYS 226.A N ASP 223.A O no hydrogen 3.074 N/A LYS 226.A NZ GLU 229.A OE1 no hydrogen 2.842 N/A ALA 227.A N GLY 224.A O no hydrogen 3.169 N/A PHE 228.A N SER 225.A O no hydrogen 2.973 N/A GLU 229.A N LYS 226.A O no hydrogen 2.965 N/A GLY 230.A N PHE 239.A O no hydrogen 2.924 N/A GLN 231.A N PHE 228.A O no hydrogen 3.026 N/A ALA 233.A N GLU 237.A O no hydrogen 2.826 N/A GLY 236.A N ALA 233.A O no hydrogen 2.909 N/A GLU 237.A N ASP 235.A OD1 no hydrogen 3.376 N/A PHE 239.A N GLN 231.A O no hydrogen 2.958 N/A THR 240.A N HIS 214.A O no hydrogen 2.955 N/A GLN 242.A N LEU 216.A O no hydrogen 2.875 N/A ARG 260.A N ASP 258.A OD1 no hydrogen 2.872 N/A ARG 260.A NE ASP 258.A OD1 no hydrogen 2.899 N/A ARG 260.A NH2 ASP 258.A OD2 no hydrogen 2.814 N/A LEU 261.A N ASP 258.A O no hydrogen 2.969 N/A HIS 262.A N PRO 259.A O no hydrogen 3.032 N/A HIS 264.A N HIS 262.A O no hydrogen 2.951 N/A