Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6q4b_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N.A ARG 22.A O no hydrogen 2.796 N/A GLN 5.A N.B ARG 22.A O no hydrogen 2.783 N/A GLU 8.A N LYS 20.A O no hydrogen 3.306 N/A GLY 11.A N VAL 18.A O no hydrogen 3.207 N/A GLY 13.A N GLY 16.A O no hydrogen 2.912 N/A TYR 15.A OH GLY 146.A O no hydrogen 2.603 N/A VAL 18.A N GLY 11.A O no hydrogen 3.109 N/A TYR 19.A N LEU 32.A O no hydrogen 2.873 N/A LYS 20.A N GLU 8.A O no hydrogen 3.007 N/A ALA 21.A N VAL 30.A O no hydrogen 2.950 N/A ARG 22.A N GLN 5.A O.A no hydrogen 2.868 N/A ARG 22.A N GLN 5.A O.B no hydrogen 2.874 N/A ARG 22.A NH2 GLY 27.A O no hydrogen 3.002 N/A ASN 23.A N GLU 28.A O no hydrogen 2.770 N/A LYS 24.A N ASN 3.A O no hydrogen 3.065 N/A LEU 25.A N ASN 23.A OD1 no hydrogen 2.910 N/A THR 26.A N ASN 23.A OD1 no hydrogen 2.997 N/A GLY 27.A N ASN 23.A O no hydrogen 2.713 N/A GLU 28.A N THR 26.A OG1 no hydrogen 3.142 N/A VAL 29.A N GLU 28.A OE2 no hydrogen 2.804 N/A VAL 30.A N ALA 21.A O no hydrogen 2.833 N/A ALA 31.A N PHE 73.A O no hydrogen 2.861 N/A LEU 32.A N TYR 19.A O no hydrogen 2.785 N/A LYS 33.A N LEU 71.A O no hydrogen 2.779 N/A LYS 33.A NZ ASP 138.A OD1 no hydrogen 2.790 N/A LYS 33.A NZ ASP 138.A OD2 no hydrogen 3.242 N/A LYS 34.A N VAL 17.A O no hydrogen 2.927 N/A LYS 34.A NZ TYR 70.A OH no hydrogen 2.977 N/A ILE 35.A N LEU 69.A O no hydrogen 2.880 N/A ARG 36.A N TYR 15.A O no hydrogen 3.183 N/A ILE 42.A N PRO 38.A O no hydrogen 3.454 N/A ARG 43.A N SER 39.A O no hydrogen 3.179 N/A GLU 44.A N THR 40.A O no hydrogen 3.154 N/A ILE 45.A N ALA 41.A O no hydrogen 2.867 N/A SER 46.A N ILE 42.A O no hydrogen 2.954 N/A SER 46.A OG ILE 42.A O no hydrogen 2.735 N/A LEU 47.A N ARG 43.A O no hydrogen 3.199 N/A LEU 48.A N ILE 45.A O no hydrogen 2.997 N/A LYS 49.A N SER 46.A O no hydrogen 3.103 N/A GLU 50.A N LEU 47.A O no hydrogen 3.221 N/A LEU 51.A N LEU 48.A O no hydrogen 3.085 N/A ASN 52.A N GLU 50.A O no hydrogen 3.020 N/A ASN 52.A ND2 LYS 49.A O no hydrogen 3.215 N/A ASN 55.A N HIS 53.A ND1 no hydrogen 2.908 N/A ASN 55.A ND2 GLN 103.A OE1 no hydrogen 3.131 N/A ASN 55.A ND2 ILE 134.A O no hydrogen 2.881 N/A ILE 56.A N HIS 53.A O no hydrogen 3.023 N/A VAL 57.A N LEU 136.A O no hydrogen 2.923 N/A LYS 58.A N GLU 74.A OE2 no hydrogen 2.957 N/A LEU 60.A N VAL 72.A O no hydrogen 2.730 N/A ASP 61.A N VAL 72.A O no hydrogen 3.327 N/A ILE 63.A N TYR 70.A O no hydrogen 2.890 N/A THR 65.A N LYS 68.A O no hydrogen 3.075 N/A LYS 68.A N THR 65.A O no hydrogen 2.846 N/A TYR 70.A N ILE 63.A O no hydrogen 2.938 N/A LEU 71.A N LYS 33.A O no hydrogen 2.838 N/A VAL 72.A N ASP 61.A O no hydrogen 2.897 N/A PHE 73.A N ALA 31.A O no hydrogen 2.800 N/A GLU 74.A N LYS 58.A O no hydrogen 2.933 N/A ASP 79.A N GLN 78.A OE1 no hydrogen 2.976 N/A LEU 80.A N LEU 126.A O no hydrogen 2.795 N/A LYS 81.A NZ ASP 85.A OD1 no hydrogen 3.413 N/A LYS 81.A NZ ASP 85.A OD2 no hydrogen 2.476 N/A LYS 82.A N ASP 79.A OD1 no hydrogen 2.871 N/A PHE 83.A N ASP 79.A O no hydrogen 3.013 N/A MET 84.A N LEU 80.A O no hydrogen 2.770 N/A ASP 85.A N LYS 81.A O no hydrogen 3.010 N/A ALA 86.A N LYS 82.A O no hydrogen 2.921 N/A SER 87.A N MET 84.A O no hydrogen 3.263 N/A SER 87.A OG PHE 83.A O no hydrogen 2.861 N/A ALA 88.A N ASP 85.A O no hydrogen 3.401 N/A THR 90.A OG1 GLY 91.A O no hydrogen 3.338 N/A GLY 91.A N SER 87.A O no hydrogen 2.643 N/A LEU 96.A N PRO 93.A O no hydrogen 2.934 N/A ILE 97.A N PRO 93.A O no hydrogen 3.000 N/A LYS 98.A N LEU 94.A O no hydrogen 2.883 N/A LYS 98.A NZ PHE 278.A O no hydrogen 2.864 N/A LYS 98.A NZ ASP 281.A OD1 no hydrogen 2.766 N/A SER 99.A N PRO 95.A O no hydrogen 3.007 N/A TYR 100.A N LEU 96.A O no hydrogen 2.878 N/A LEU 101.A N ILE 97.A O no hydrogen 2.882 N/A PHE 102.A N LYS 98.A O no hydrogen 2.928 N/A GLN 103.A N SER 99.A O no hydrogen 2.945 N/A GLN 103.A NE2 SER 99.A O no hydrogen 3.475 N/A GLN 103.A NE2 SER 99.A OG no hydrogen 3.029 N/A GLN 103.A NE2 GLY 132.A O no hydrogen 2.924 N/A LEU 104.A N TYR 100.A O no hydrogen 2.869 N/A LEU 105.A N LEU 101.A O no hydrogen 2.914 N/A GLN 106.A N PHE 102.A O no hydrogen 3.010 N/A GLN 106.A NE2 PHE 102.A O no hydrogen 3.564 N/A GLY 107.A N GLN 103.A O no hydrogen 3.031 N/A LEU 108.A N LEU 104.A O no hydrogen 2.897 N/A ALA 109.A N LEU 105.A O no hydrogen 2.807 N/A PHE 110.A N GLN 106.A O no hydrogen 3.023 N/A CYS 111.A N GLY 107.A O no hydrogen 3.036 N/A CYS 111.A SG GLY 107.A O no hydrogen 3.581 N/A HIS 112.A N LEU 108.A O no hydrogen 2.794 N/A HIS 112.A NE2 ASP 178.A OD2 no hydrogen 2.857 N/A SER 113.A N ALA 109.A O no hydrogen 2.990 N/A SER 113.A OG PHE 110.A O no hydrogen 2.696 N/A HIS 114.A N CYS 111.A O no hydrogen 2.927 N/A ARG 115.A N HIS 112.A O no hydrogen 2.910 N/A VAL 116.A N CYS 111.A O no hydrogen 2.976 N/A HIS 118.A N ASP 178.A OD2 no hydrogen 2.849 N/A HIS 118.A NE2 ALA 137.A O no hydrogen 2.786 N/A ARG 119.A N ASP 178.A OD1 no hydrogen 2.821 N/A ASP 120.A N HIS 118.A ND1 no hydrogen 2.957 N/A LYS 122.A N ASN 125.A OD1 no hydrogen 3.068 N/A LYS 122.A NZ ASP 120.A OD2 no hydrogen 2.976 N/A ASN 125.A N LYS 122.A O no hydrogen 2.934 N/A ASN 125.A ND2 ASP 120.A O no hydrogen 2.956 N/A LEU 126.A N PRO 123.A O no hydrogen 3.104 N/A LEU 127.A N LYS 135.A O no hydrogen 2.849 N/A ILE 128.A N GLN 78.A O no hydrogen 2.863 N/A ASN 129.A N ALA 133.A O no hydrogen 3.276 N/A GLU 131.A N ASN 129.A OD1 no hydrogen 2.987 N/A ALA 133.A N ASN 129.A OD1 no hydrogen 3.066 N/A ILE 134.A N GLN 103.A OE1 no hydrogen 3.151 N/A LYS 135.A N LEU 127.A O no hydrogen 2.777 N/A LYS 135.A NZ GLU 74.A OE1 no hydrogen 2.732 N/A LYS 135.A NZ GLU 74.A OE2 no hydrogen 3.359 N/A LEU 136.A N ASN 55.A O no hydrogen 2.850 N/A ALA 137.A N ASN 125.A O no hydrogen 2.823 N/A GLY 140.A N LEU 117.A O no hydrogen 3.208 N/A ALA 144.A N LEU 141.A O no hydrogen 2.404 N/A PHE 145.A N LEU 141.A O no hydrogen 3.152 N/A ARG 150.A NH2 HIS 154.A O no hydrogen 3.284 N/A THR 151.A N GLU 155.A O no hydrogen 2.790 N/A THR 151.A OG1 THR 153.A OG1 no hydrogen 3.279 N/A THR 153.A N THR 151.A OG1 no hydrogen 3.212 N/A THR 153.A OG1 GLU 12.A OE1 no hydrogen 3.236 N/A THR 153.A OG1 THR 151.A OG1 no hydrogen 3.279 N/A HIS 154.A N THR 151.A O no hydrogen 2.910 N/A GLU 155.A N THR 151.A OG1 no hydrogen 3.177 N/A VAL 157.A N VAL 149.A O no hydrogen 3.053 N/A TRP 160.A N THR 158.A OG1 no hydrogen 3.299 N/A TYR 161.A OH GLU 188.A OE1 no hydrogen 2.619 N/A ARG 162.A N LEU 159.A O no hydrogen 3.081 N/A GLU 165.A N GLU 165.A OE1 no hydrogen 2.717 N/A ILE 166.A N ALA 163.A O no hydrogen 3.040 N/A LEU 167.A N ALA 163.A O no hydrogen 3.220 N/A LEU 168.A N PRO 164.A O no hydrogen 2.859 N/A GLY 169.A N ILE 166.A O no hydrogen 3.011 N/A CYS 170.A N GLU 165.A O no hydrogen 2.981 N/A CYS 170.A SG.A GLU 165.A O no hydrogen 3.445 N/A CYS 170.A SG.A TYR 172.A OH no hydrogen 3.421 N/A CYS 170.A SG.C TYR 172.A O no hydrogen 3.409 N/A ALA 176.A N SER 174.A OG no hydrogen 3.193 N/A VAL 177.A N SER 174.A O no hydrogen 3.018 N/A ASP 178.A N THR 175.A O no hydrogen 3.070 N/A TRP 180.A N ALA 176.A O no hydrogen 3.095 N/A SER 181.A N VAL 177.A O no hydrogen 3.203 N/A SER 181.A OG TYR 161.A O no hydrogen 2.703 N/A SER 181.A OG VAL 177.A O no hydrogen 3.157 N/A LEU 182.A N ASP 178.A O no hydrogen 2.951 N/A GLY 183.A N ILE 179.A O no hydrogen 2.870 N/A CYS 184.A N TRP 180.A O no hydrogen 3.031 N/A CYS 184.A SG TRP 180.A O no hydrogen 3.544 N/A ILE 185.A N SER 181.A O no hydrogen 3.035 N/A PHE 186.A N LEU 182.A O no hydrogen 2.854 N/A ALA 187.A N GLY 183.A O no hydrogen 3.021 N/A GLU 188.A N CYS 184.A O no hydrogen 3.113 N/A MET 189.A N ILE 185.A O no hydrogen 2.921 N/A VAL 190.A N PHE 186.A O no hydrogen 3.156 N/A THR 191.A N ALA 187.A O no hydrogen 2.968 N/A THR 191.A OG1 ALA 187.A O no hydrogen 3.047 N/A ARG 192.A N GLU 188.A O no hydrogen 2.905 N/A ARG 192.A NH2 ALA 88.A O no hydrogen 3.383 N/A ARG 193.A N THR 191.A OG1 no hydrogen 3.308 N/A GLY 198.A N PHE 196.A O no hydrogen 2.935 N/A GLY 198.A N GLN 204.A OE1 no hydrogen 2.903 N/A ASP 199.A N ASP 203.A OD2 no hydrogen 3.119 N/A ASP 203.A N SER 200.A OG no hydrogen 3.057 N/A GLN 204.A N SER 200.A O no hydrogen 2.833 N/A GLN 204.A NE2 TRP 160.A O no hydrogen 3.268 N/A GLN 204.A NE2 PHE 196.A O no hydrogen 2.904 N/A LEU 205.A N.A GLU 201.A O no hydrogen 2.905 N/A LEU 205.A N.B GLU 201.A O no hydrogen 3.037 N/A PHE 206.A N ILE 202.A O no hydrogen 2.870 N/A ARG 207.A N ASP 203.A O no hydrogen 2.898 N/A ARG 207.A NE ASP 203.A OD2 no hydrogen 3.069 N/A ILE 208.A N GLN 204.A O no hydrogen 3.099 N/A PHE 209.A N LEU 205.A O.A no hydrogen 3.023 N/A PHE 209.A N LEU 205.A O.B no hydrogen 2.737 N/A ARG 210.A N PHE 206.A O no hydrogen 2.862 N/A THR 211.A N ARG 207.A O no hydrogen 3.345 N/A THR 211.A N ILE 208.A O no hydrogen 3.142 N/A THR 211.A OG1 ARG 207.A O no hydrogen 3.499 N/A LEU 212.A N ILE 208.A O no hydrogen 2.860 N/A THR 214.A N TRP 236.A O no hydrogen 2.958 N/A THR 214.A OG1 PRO 234.A O no hydrogen 2.743 N/A VAL 219.A N ASP 216.A OD1 no hydrogen 3.131 N/A TRP 220.A N ASP 216.A O no hydrogen 2.868 N/A GLY 222.A N GLU 217.A OE1 no hydrogen 2.761 N/A VAL 223.A N TRP 220.A O no hydrogen 2.985 N/A THR 224.A N GLU 217.A OE2 no hydrogen 3.024 N/A THR 224.A OG1 GLU 217.A OE2 no hydrogen 2.645 N/A SER 225.A N GLY 222.A O no hydrogen 3.153 N/A MET 226.A N VAL 223.A O no hydrogen 3.061 N/A ASP 228.A N LEU 168.A O no hydrogen 2.847 N/A TYR 229.A N MET 226.A O no hydrogen 3.285 N/A LYS 230.A NZ.B ASP 228.A O no hydrogen 2.953 N/A PHE 233.A N LYS 230.A O no hydrogen 2.938 N/A LYS 235.A NZ TYR 229.A OH no hydrogen 3.429 N/A LYS 235.A NZ PHE 233.A O no hydrogen 3.422 N/A TRP 236.A N THR 214.A OG1 no hydrogen 2.917 N/A ARG 238.A NH1 LEU 212.A O no hydrogen 2.966 N/A GLN 239.A N.A THR 211.A O no hydrogen 2.801 N/A GLN 239.A N.B THR 211.A O no hydrogen 2.828 N/A GLN 239.A NE2.B ALA 237.A O no hydrogen 3.252 N/A LYS 243.A N ASP 240.A O no hydrogen 2.904 N/A VAL 244.A N PHE 241.A O no hydrogen 3.050 N/A VAL 245.A N PHE 241.A O no hydrogen 2.968 N/A LEU 248.A N VAL 245.A O no hydrogen 2.942 N/A GLY 252.A N ASP 249.A OD1 no hydrogen 2.893 N/A ARG 253.A N ASP 249.A O no hydrogen 2.864 N/A ARG 253.A NH1 LEU 248.A O no hydrogen 2.834 N/A SER 254.A N GLU 250.A O no hydrogen 2.964 N/A LEU 255.A N ASP 251.A O no hydrogen 2.995 N/A LEU 256.A N GLY 252.A O no hydrogen 2.862 N/A SER 257.A N ARG 253.A O no hydrogen 2.940 N/A SER 257.A OG.B SER 254.A O no hydrogen 2.742 N/A GLN 258.A N SER 254.A O no hydrogen 3.156 N/A GLN 258.A NE2 SER 254.A O no hydrogen 3.624 N/A MET 259.A N LEU 255.A O no hydrogen 3.019 N/A LEU 260.A N LEU 256.A O no hydrogen 3.022 N/A LEU 260.A N SER 257.A O no hydrogen 3.361 N/A TYR 262.A OH GLY 213.A O no hydrogen 2.616 N/A ASN 265.A N ASP 263.A OD1 no hydrogen 2.969 N/A ASN 265.A ND2 ASP 263.A OD1 no hydrogen 2.858 N/A LYS 266.A N ASP 263.A O no hydrogen 2.830 N/A LYS 266.A NZ VAL 219.A O no hydrogen 3.161 N/A LYS 266.A NZ ASP 263.A OD2 no hydrogen 2.930 N/A ARG 267.A N ASP 263.A O no hydrogen 3.311 N/A ARG 267.A N PRO 264.A O no hydrogen 3.269 N/A ARG 267.A NE HIS 261.A O no hydrogen 2.875 N/A ARG 267.A NH1 GLU 165.A OE1 no hydrogen 3.418 N/A ARG 267.A NH1 GLU 165.A OE2 no hydrogen 2.870 N/A ARG 267.A NH1 ALA 176.A O no hydrogen 2.968 N/A ARG 267.A NH2 GLU 165.A OE1 no hydrogen 2.821 N/A ARG 267.A NH2 HIS 261.A O no hydrogen 3.303 N/A ARG 267.A NH2 TYR 262.A O no hydrogen 2.886 N/A ILE 268.A N GLN 258.A O no hydrogen 2.994 N/A ALA 272.A N SER 269.A OG no hydrogen 2.941 N/A ALA 273.A N SER 269.A O no hydrogen 2.862 N/A LEU 274.A N ALA 270.A O no hydrogen 3.089 N/A ALA 275.A N ALA 272.A O no hydrogen 3.045 N/A HIS 276.A N ALA 273.A O no hydrogen 3.007 N/A PHE 278.A N HIS 276.A ND1 no hydrogen 2.934 N/A PHE 279.A N HIS 276.A O no hydrogen 2.995 N/A GLN 280.A N PRO 277.A O no hydrogen 3.051 N/A VAL 282.A N PHE 279.A O no hydrogen 3.133 N/A