Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mqk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH2 GLU 126.A OE2 no hydrogen 2.927 N/A ILE 7.A N PRO 4.A O no hydrogen 2.831 N/A ARG 9.A NH1 HIS 242.A O no hydrogen 3.307 N/A ARG 9.A NH2 HIS 242.A O no hydrogen 3.379 N/A LEU 12.A N LEU 270.A O no hydrogen 2.795 N/A LYS 14.A N ALA 268.A O no hydrogen 2.972 N/A LYS 14.A NZ LEU 303.A O no hydrogen 3.440 N/A LYS 14.A NZ LYS 305.A O no hydrogen 2.970 N/A ASP 15.A N ALA 268.A O no hydrogen 2.981 N/A ASN 17.A N ASP 15.A OD1 no hydrogen 3.233 N/A ALA 18.A N ASP 15.A O no hydrogen 3.081 N/A THR 20.A OG1 ASP 250.A OD1 no hydrogen 2.974 N/A THR 20.A OG1 ASP 250.A OD2 no hydrogen 2.751 N/A ASN 21.A N ASP 250.A OD2 no hydrogen 2.984 N/A TRP 24.A N ASN 21.A O no hydrogen 3.177 N/A GLY 25.A N TRP 322.A O no hydrogen 3.131 N/A PHE 26.A N GLU 288.A OE1 no hydrogen 2.909 N/A ARG 31.A NH1 GLU 237.A OE1 no hydrogen 3.011 N/A ARG 31.A NH2 PHE 26.A O no hydrogen 3.348 N/A ARG 31.A NH2 GLU 237.A OE2 no hydrogen 3.043 N/A HIS 36.A N PRO 32.A O no hydrogen 2.782 N/A ILE 37.A N ILE 33.A O no hydrogen 2.920 N/A GLN 38.A N GLU 34.A O no hydrogen 3.144 N/A GLN 38.A NE2 GLU 34.A O no hydrogen 3.409 N/A PHE 39.A N MET 35.A O no hydrogen 3.104 N/A PHE 39.A N HIS 36.A O no hydrogen 3.264 N/A GLY 40.A N ILE 37.A O no hydrogen 3.274 N/A VAL 41.A N GLN 234.A O no hydrogen 2.687 N/A ILE 42.A N VAL 84.A O no hydrogen 2.935 N/A LEU 44.A N ILE 42.A O no hydrogen 2.903 N/A ASP 45.A N ILE 208.A O no hydrogen 2.919 N/A LYS 46.A N GLY 80.A O no hydrogen 2.909 N/A LYS 46.A NZ PRO 47.A O no hydrogen 3.104 N/A LYS 46.A NZ PRO 50.A O no hydrogen 3.003 N/A LYS 46.A NZ VAL 78.A O no hydrogen 2.738 N/A GLY 49.A N PRO 76.A O no hydrogen 2.677 N/A THR 51.A N GLU 54.A OE1 no hydrogen 2.922 N/A THR 51.A OG1 GLU 54.A OE1 no hydrogen 3.145 N/A SER 52.A OG LEU 74.A O no hydrogen 2.989 N/A GLU 54.A N THR 51.A OG1 no hydrogen 3.113 N/A VAL 55.A N THR 51.A O no hydrogen 3.110 N/A VAL 56.A N SER 52.A O no hydrogen 3.199 N/A ALA 57.A N HIS 53.A O no hydrogen 2.815 N/A TRP 58.A N GLU 54.A O no hydrogen 2.814 N/A ILE 59.A N VAL 55.A O no hydrogen 2.956 N/A LYS 60.A N VAL 56.A O no hydrogen 2.786 N/A LYS 61.A N ALA 57.A O no hydrogen 3.102 N/A ILE 62.A N TRP 58.A O no hydrogen 2.809 N/A LEU 63.A N ILE 59.A O no hydrogen 2.918 N/A LEU 65.A N LYS 60.A O no hydrogen 3.069 N/A GLU 66.A N GLU 87.A OE1 no hydrogen 3.094 N/A GLU 66.A N GLU 87.A OE2 no hydrogen 3.257 N/A GLY 69.A N ALA 85.A O no hydrogen 3.103 N/A GLY 71.A N PRO 83.A O no hydrogen 2.858 N/A LEU 74.A N SER 52.A OG no hydrogen 2.895 N/A VAL 78.A N ASP 75.A O no hydrogen 2.663 N/A GLY 80.A N LYS 46.A O no hydrogen 3.154 N/A VAL 81.A N ARG 195.A O no hydrogen 2.925 N/A LEU 82.A N LEU 44.A O no hydrogen 2.702 N/A VAL 84.A N ILE 42.A O no hydrogen 3.014 N/A ALA 85.A N GLY 69.A O no hydrogen 2.926 N/A LEU 86.A N GLY 40.A O no hydrogen 2.883 N/A GLU 87.A N LYS 67.A O no hydrogen 2.763 N/A ALA 89.A N LEU 86.A O no hydrogen 2.806 N/A THR 90.A N GLU 87.A O no hydrogen 2.989 N/A THR 90.A OG1 LYS 67.A O no hydrogen 3.466 N/A THR 90.A OG1 GLU 87.A O no hydrogen 2.438 N/A VAL 92.A N ALA 89.A O no hydrogen 2.823 N/A VAL 93.A N THR 90.A O no hydrogen 3.431 N/A GLN 94.A N ARG 91.A O no hydrogen 3.064 N/A ALA 95.A N VAL 92.A O no hydrogen 2.869 N/A LEU 96.A N VAL 93.A O no hydrogen 2.792 N/A LEU 97.A N VAL 93.A O no hydrogen 3.064 N/A ALA 99.A N LEU 96.A O no hydrogen 2.761 N/A LYS 101.A N VAL 167.A O no hydrogen 2.881 N/A LYS 101.A NZ LEU 97.A O no hydrogen 3.215 N/A LYS 101.A NZ ALA 99.A O no hydrogen 2.463 N/A GLU 102.A N ARG 197.A O no hydrogen 3.140 N/A TYR 103.A N VAL 165.A O no hydrogen 2.759 N/A VAL 104.A N ARG 194.A O no hydrogen 2.866 N/A ALA 105.A N PHE 163.A O no hydrogen 2.759 N/A LEU 106.A N GLU 192.A O no hydrogen 3.126 N/A MET 107.A N VAL 161.A O no hydrogen 2.670 N/A HIS 108.A N HIS 189.A O no hydrogen 2.877 N/A HIS 108.A ND1 ASP 160.A OD1 no hydrogen 2.737 N/A LEU 109.A N ARG 159.A O no hydrogen 2.991 N/A HIS 110.A N GLY 187.A O no hydrogen 2.923 N/A ILE 118.A N PRO 114.A O no hydrogen 3.225 N/A ILE 119.A N GLU 115.A O no hydrogen 2.880 N/A GLN 120.A N ASP 116.A O no hydrogen 3.144 N/A VAL 121.A N LYS 117.A O no hydrogen 2.918 N/A MET 122.A N ILE 118.A O no hydrogen 3.136 N/A LYS 123.A N ILE 119.A O no hydrogen 3.276 N/A LYS 123.A N GLN 120.A O no hydrogen 3.256 N/A GLU 124.A N VAL 121.A O no hydrogen 2.930 N/A GLU 126.A N LYS 123.A O no hydrogen 3.404 N/A GLY 127.A N VAL 148.A O no hydrogen 2.955 N/A ILE 129.A N ARG 146.A O no hydrogen 2.907 N/A GLN 131.A N ARG 144.A O no hydrogen 2.831 N/A ARG 136.A NE ARG 136.A O no hydrogen 2.354 N/A SER 137.A OG VAL 139.A O no hydrogen 3.272 N/A ARG 141.A NE ARG 142.A O no hydrogen 2.642 N/A ARG 141.A NH2 ARG 142.A O no hydrogen 2.639 N/A ARG 146.A N ILE 129.A O no hydrogen 3.052 N/A ARG 146.A NH2 GLU 168.A OE1 no hydrogen 3.548 N/A LYS 147.A N GLU 168.A OE2 no hydrogen 3.029 N/A VAL 148.A N GLY 127.A O no hydrogen 2.841 N/A TYR 149.A N GLY 166.A O no hydrogen 2.797 N/A TYR 150.A OH GLU 102.A OE1 no hydrogen 2.445 N/A ILE 151.A N GLU 126.A OE1 no hydrogen 2.831 N/A GLU 152.A N ARG 164.A O no hydrogen 2.895 N/A LEU 154.A N LEU 162.A O no hydrogen 2.737 N/A GLU 155.A N LEU 162.A O no hydrogen 3.289 N/A GLU 157.A N ASP 160.A O no hydrogen 3.092 N/A ARG 159.A NE ASP 112.A OD1 no hydrogen 3.310 N/A ASP 160.A N GLU 157.A O no hydrogen 3.094 N/A VAL 161.A N MET 107.A O no hydrogen 2.790 N/A LEU 162.A N GLU 155.A O no hydrogen 3.139 N/A PHE 163.A N ALA 105.A O no hydrogen 3.035 N/A ARG 164.A N GLU 152.A O no hydrogen 2.731 N/A ARG 164.A NH1 GLU 102.A OE2 no hydrogen 3.463 N/A VAL 165.A N TYR 103.A O no hydrogen 2.825 N/A GLY 166.A N TYR 150.A O no hydrogen 3.068 N/A VAL 167.A N LYS 101.A O no hydrogen 2.708 N/A GLU 168.A N LYS 147.A O no hydrogen 3.052 N/A THR 171.A N GLU 168.A O no hydrogen 3.248 N/A THR 171.A OG1 GLU 168.A O no hydrogen 2.491 N/A LEU 176.A N TYR 172.A O no hydrogen 2.926 N/A ILE 177.A N ILE 173.A O no hydrogen 2.868 N/A HIS 178.A N ARG 174.A O no hydrogen 3.077 N/A HIS 179.A N SER 175.A O no hydrogen 2.962 N/A ILE 180.A N LEU 176.A O no hydrogen 2.933 N/A GLY 181.A N ILE 177.A O no hydrogen 2.871 N/A LEU 182.A N HIS 178.A O no hydrogen 2.914 N/A ALA 183.A N HIS 179.A O no hydrogen 3.032 N/A LEU 184.A N GLY 181.A O no hydrogen 3.070 N/A GLY 185.A N LEU 182.A O no hydrogen 3.204 N/A VAL 186.A N LEU 184.A O no hydrogen 2.899 N/A GLY 187.A N GLY 181.A O no hydrogen 3.067 N/A HIS 189.A N HIS 108.A O no hydrogen 2.933 N/A SER 191.A N LEU 106.A O no hydrogen 2.736 N/A ARG 194.A N VAL 104.A O no hydrogen 3.004 N/A ARG 194.A NE SER 79.A OG no hydrogen 3.143 N/A ARG 194.A NH2 ASP 45.A OD1 no hydrogen 2.579 N/A ARG 195.A N SER 79.A O no hydrogen 2.874 N/A ARG 195.A NH1 GLY 72.A O no hydrogen 3.083 N/A ARG 195.A NH1 VAL 81.A O no hydrogen 2.906 N/A THR 196.A N GLU 102.A O no hydrogen 2.675 N/A THR 196.A OG1 GLU 102.A O no hydrogen 2.945 N/A THR 196.A OG1 GLU 102.A OE2 no hydrogen 2.540 N/A ARG 197.A N GLU 102.A O no hydrogen 3.222 N/A ARG 197.A NH1 ASP 6.A OD1 no hydrogen 3.123 N/A ARG 197.A NH1 ASP 6.A OD2 no hydrogen 3.058 N/A ARG 197.A NH2 ASP 6.A OD1 no hydrogen 3.004 N/A ARG 197.A NH2 GLY 199.A O no hydrogen 3.204 N/A SER 198.A N PHE 201.A O no hydrogen 2.913 N/A SER 198.A OG GLY 71.A O no hydrogen 3.410 N/A GLY 199.A N GLY 100.A O no hydrogen 2.930 N/A PHE 201.A N SER 198.A O no hydrogen 3.021 N/A LYS 202.A NZ ASP 204.A OD2 no hydrogen 2.959 N/A THR 206.A N ASP 204.A OD1 no hydrogen 2.794 N/A THR 206.A OG1 ASN 43.A OD1 no hydrogen 3.278 N/A THR 206.A OG1 ASP 204.A OD1 no hydrogen 2.799 N/A LEU 207.A N ASP 204.A O no hydrogen 3.089 N/A ILE 208.A N ASN 43.A O no hydrogen 3.010 N/A THR 209.A OG1 ASP 212.A OD2 no hydrogen 3.328 N/A ASP 212.A N THR 209.A OG1 no hydrogen 3.143 N/A LEU 213.A N THR 209.A O no hydrogen 2.948 N/A VAL 214.A N LEU 210.A O no hydrogen 3.021 N/A ASP 215.A N HIS 211.A O no hydrogen 2.889 N/A TYR 216.A N ASP 212.A O no hydrogen 2.683 N/A TYR 217.A N LEU 213.A O no hydrogen 3.143 N/A TYR 218.A N VAL 214.A O no hydrogen 2.995 N/A PHE 219.A N ASP 215.A O no hydrogen 2.902 N/A TRP 220.A N TYR 217.A O no hydrogen 3.104 N/A LYS 221.A N TYR 217.A O no hydrogen 3.091 N/A GLU 222.A N TYR 218.A O no hydrogen 2.862 N/A ILE 225.A N PHE 219.A O no hydrogen 3.059 N/A ARG 230.A N GLU 226.A O no hydrogen 2.926 N/A ARG 230.A NH2 GLU 29.A O no hydrogen 3.463 N/A ARG 230.A NH2 ARG 31.A O no hydrogen 2.271 N/A LYS 231.A N GLU 227.A O no hydrogen 3.241 N/A LYS 231.A N TYR 228.A O no hydrogen 2.924 N/A LYS 231.A NZ LYS 231.A O no hydrogen 2.880 N/A ALA 232.A N TYR 228.A O no hydrogen 3.208 N/A ALA 232.A N PHE 229.A O no hydrogen 3.317 N/A ILE 233.A N ARG 230.A O no hydrogen 3.329 N/A GLN 234.A N VAL 41.A O no hydrogen 2.578 N/A GLN 234.A NE2 LYS 231.A O no hydrogen 3.179 N/A MET 236.A N PHE 39.A O no hydrogen 3.056 N/A GLU 237.A N GLU 237.A OE1 no hydrogen 2.739 N/A LYS 238.A N PRO 235.A O no hydrogen 2.807 N/A LYS 238.A NZ GLU 241.A OE1 no hydrogen 3.360 N/A LYS 238.A NZ GLU 241.A OE2 no hydrogen 3.315 N/A ALA 239.A N MET 236.A O no hydrogen 2.699 N/A VAL 240.A N GLU 237.A O no hydrogen 2.803 N/A GLU 241.A N LYS 238.A O no hydrogen 3.119 N/A HIS 242.A N HIS 242.A ND1 no hydrogen 2.770 N/A HIS 242.A NE2 ALA 95.A O no hydrogen 2.633 N/A LEU 243.A N VAL 240.A O no hydrogen 3.296 N/A LYS 245.A N HIS 271.A ND1 no hydrogen 2.841 N/A VAL 246.A N ALA 281.A O no hydrogen 2.980 N/A TRP 247.A N LYS 269.A O no hydrogen 2.708 N/A TRP 247.A NE1 ASP 287.A OD1 no hydrogen 2.743 N/A ILE 248.A N MET 283.A O no hydrogen 2.708 N/A LYS 249.A N GLY 266.A O no hydrogen 2.829 N/A LYS 249.A NZ ASP 15.A OD2 no hydrogen 3.055 N/A ALA 252.A N LYS 249.A O no hydrogen 2.769 N/A VAL 253.A N ASP 250.A O no hydrogen 3.237 N/A VAL 256.A N ALA 252.A O no hydrogen 3.165 N/A THR 257.A N VAL 253.A O no hydrogen 3.065 N/A THR 257.A OG1 VAL 253.A O no hydrogen 3.543 N/A THR 257.A OG1 ALA 254.A O no hydrogen 3.096 N/A HIS 258.A N ALA 254.A O no hydrogen 2.921 N/A HIS 258.A N ALA 255.A O no hydrogen 3.228 N/A HIS 258.A ND1 ALA 254.A O no hydrogen 2.691 N/A GLY 259.A N VAL 256.A O no hydrogen 2.978 N/A ALA 260.A N ALA 255.A O no hydrogen 2.884 N/A LEU 262.A N VAL 311.A O no hydrogen 3.067 N/A VAL 264.A N GLY 308.A O no hydrogen 2.889 N/A GLY 266.A N ALA 263.A O no hydrogen 2.946 N/A ILE 267.A N VAL 264.A O no hydrogen 3.079 N/A ALA 268.A N TRP 247.A O no hydrogen 2.874 N/A LYS 269.A N TRP 247.A O no hydrogen 3.208 N/A LEU 270.A N LEU 12.A O no hydrogen 3.157 N/A HIS 271.A N LYS 245.A O no hydrogen 2.983 N/A ALA 272.A N GLU 10.A O no hydrogen 2.890 N/A ILE 274.A N SER 299.A OG no hydrogen 2.590 N/A LYS 275.A N ASP 278.A OD2 no hydrogen 2.912 N/A ARG 276.A NH2 GLU 301.A OE2 no hydrogen 3.194 N/A GLY 277.A N ALA 295.A O no hydrogen 2.606 N/A ASP 278.A N LYS 275.A O no hydrogen 3.042 N/A VAL 280.A N GLY 293.A O no hydrogen 2.934 N/A ALA 281.A N PRO 244.A O no hydrogen 2.916 N/A ILE 282.A N ALA 291.A O no hydrogen 2.711 N/A MET 283.A N VAL 246.A O no hydrogen 2.724 N/A THR 284.A N GLU 288.A O no hydrogen 2.943 N/A THR 284.A OG1 GLU 288.A OE2 no hydrogen 3.347 N/A THR 284.A OG1 TYR 323.A OH no hydrogen 3.219 N/A LYS 286.A NZ THR 20.A OG1 no hydrogen 2.629 N/A LYS 286.A NZ ASN 21.A O no hydrogen 2.656 N/A LYS 286.A NZ TRP 24.A O no hydrogen 2.921 N/A LYS 286.A NZ TYR 323.A OH no hydrogen 2.895 N/A ASP 287.A N THR 284.A O no hydrogen 2.921 N/A LEU 289.A N GLU 237.A OE2 no hydrogen 2.841 N/A VAL 290.A N ILE 282.A O no hydrogen 2.826 N/A ALA 291.A N ILE 282.A O no hydrogen 3.290 N/A LEU 292.A N LYS 315.A O no hydrogen 2.951 N/A GLY 293.A N VAL 280.A O no hydrogen 3.049 N/A LYS 294.A N ASP 312.A O no hydrogen 2.996 N/A ALA 295.A N ASP 278.A O no hydrogen 2.955 N/A MET 296.A N ALA 310.A O no hydrogen 2.890 N/A THR 298.A N GLU 301.A OE2 no hydrogen 2.895 N/A SER 299.A N ILE 274.A O no hydrogen 3.016 N/A SER 299.A OG HIS 271.A O no hydrogen 2.757 N/A GLU 301.A N THR 298.A OG1 no hydrogen 2.928 N/A MET 302.A N THR 298.A O no hydrogen 2.809 N/A LEU 303.A N SER 299.A O no hydrogen 2.857 N/A GLU 304.A N GLN 300.A O no hydrogen 2.826 N/A LYS 305.A N GLU 301.A O no hydrogen 2.825 N/A ALA 310.A N LEU 262.A O no hydrogen 2.861 N/A VAL 311.A N LEU 262.A O no hydrogen 3.220 N/A ASP 312.A N LYS 294.A O no hydrogen 2.856 N/A VAL 313.A N ASP 261.A OD1 no hydrogen 2.825 N/A GLU 314.A N LEU 292.A O no hydrogen 2.918 N/A LYS 315.A N LEU 292.A O no hydrogen 3.074 N/A PHE 317.A N VAL 290.A O no hydrogen 3.087 N/A MET 318.A N VAL 290.A O no hydrogen 3.458 N/A TRP 322.A N PRO 319.A O no hydrogen 3.268 N/A TYR 323.A OH GLU 288.A OE2 no hydrogen 2.580 N/A