Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4mpq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 4.A N ASP 187.A O no hydrogen 3.180 N/A LYS 6.A NZ THR 184.A O no hydrogen 3.490 N/A LYS 6.A NZ VAL 190.A O no hydrogen 3.066 N/A PHE 10.A N ALA 7.A O no hydrogen 3.111 N/A SER 11.A N GLU 8.A O no hydrogen 3.065 N/A SER 11.A OG GLU 8.A O no hydrogen 2.771 N/A GLY 12.A N THR 210.A O no hydrogen 3.176 N/A ILE 14.A N ALA 212.A O no hydrogen 2.857 N/A ALA 16.A N THR 214.A O no hydrogen 2.939 N/A LEU 17.A N VAL 48.A O no hydrogen 3.063 N/A THR 19.A OG1 TYR 49.A OH no hydrogen 2.763 N/A THR 19.A OG1 GLY 54.A O no hydrogen 2.642 N/A CYS 21.A SG LEU 282.A O no hydrogen 3.262 N/A LYS 22.A N SER 26.A O no hydrogen 2.788 N/A ARG 25.A N LYS 22.A O no hydrogen 2.823 N/A ARG 25.A NE HIS 283.A O no hydrogen 2.809 N/A SER 26.A N ASP 24.A OD1 no hydrogen 2.931 N/A SER 26.A OG ASP 24.A OD1 no hydrogen 2.568 N/A SER 26.A OG ASP 24.A OD2 no hydrogen 3.382 N/A ASP 28.A N PRO 20.A O no hydrogen 2.847 N/A ALA 31.A N ASP 28.A OD1 no hydrogen 3.064 N/A LEU 32.A N ASP 28.A O no hydrogen 3.001 N/A VAL 33.A N PHE 29.A O no hydrogen 2.952 N/A ARG 34.A N ASP 30.A O no hydrogen 2.942 N/A LYS 35.A N ALA 31.A O no hydrogen 2.967 N/A LYS 35.A NZ GLU 38.A OE1 no hydrogen 2.754 N/A LYS 35.A NZ ASP 277.A OD2 no hydrogen 2.724 N/A GLY 36.A N LEU 32.A O no hydrogen 2.947 N/A GLN 37.A N VAL 33.A O no hydrogen 2.973 N/A GLU 38.A N ARG 34.A O no hydrogen 2.990 N/A LEU 39.A N LYS 35.A O no hydrogen 2.900 N/A ILE 40.A N GLY 36.A O no hydrogen 2.998 N/A GLY 41.A N GLN 37.A O no hydrogen 2.932 N/A ASP 42.A N GLU 38.A O no hydrogen 2.901 N/A GLY 43.A N ILE 40.A O no hydrogen 2.983 N/A MET 44.A N LEU 39.A O no hydrogen 3.060 N/A SER 45.A N VAL 13.A O no hydrogen 2.884 N/A VAL 47.A N PRO 77.A O no hydrogen 2.960 N/A VAL 48.A N PRO 15.A O no hydrogen 2.868 N/A TYR 49.A N ILE 79.A O no hydrogen 3.050 N/A TYR 49.A OH THR 19.A OG1 no hydrogen 2.763 N/A CYS 50.A SG GLY 51.A O no hydrogen 3.830 N/A CYS 50.A SG GLY 54.A O no hydrogen 3.196 N/A GLY 54.A N GLY 51.A O no hydrogen 2.904 N/A ASP 55.A N SER 52.A O no hydrogen 3.066 N/A LEU 58.A N ASP 55.A O no hydrogen 2.866 N/A LEU 59.A N TRP 56.A O no hydrogen 3.117 N/A THR 60.A N GLN 63.A OE1 no hydrogen 2.925 N/A GLN 63.A N THR 60.A OG1 no hydrogen 3.035 N/A ARG 64.A N THR 60.A O no hydrogen 3.120 N/A ARG 64.A NH1 GLY 83.A O no hydrogen 2.858 N/A ARG 64.A NH2 GLY 81.A O no hydrogen 3.055 N/A ARG 64.A NH2 GLY 83.A O no hydrogen 2.816 N/A MET 65.A N ASP 61.A O no hydrogen 3.084 N/A GLU 66.A N ALA 62.A O no hydrogen 2.965 N/A GLY 67.A N GLN 63.A O no hydrogen 2.983 N/A VAL 68.A N ARG 64.A O no hydrogen 2.832 N/A GLU 69.A N MET 65.A O no hydrogen 2.822 N/A ARG 70.A N GLU 66.A O no hydrogen 2.934 N/A ARG 70.A NH1 ASP 30.A OD1 no hydrogen 3.032 N/A ARG 70.A NH2 ASP 30.A OD1 no hydrogen 2.986 N/A LEU 71.A N GLY 67.A O no hydrogen 2.950 N/A VAL 72.A N VAL 68.A O no hydrogen 2.937 N/A LYS 73.A N GLU 69.A O no hydrogen 2.831 N/A ALA 74.A N ARG 70.A O no hydrogen 3.133 N/A ALA 74.A N LEU 71.A O no hydrogen 3.128 N/A GLY 75.A N VAL 72.A O no hydrogen 2.929 N/A ILE 76.A N LEU 71.A O no hydrogen 3.287 N/A ILE 79.A N VAL 47.A O no hydrogen 2.797 N/A VAL 80.A N GLY 104.A O no hydrogen 2.926 N/A GLY 81.A N TYR 49.A O no hydrogen 2.978 N/A THR 82.A N MET 106.A O no hydrogen 3.151 N/A THR 82.A OG1 MET 106.A O no hydrogen 2.673 N/A SER 89.A N ASN 86.A OD1 no hydrogen 2.935 N/A SER 89.A OG ASP 61.A OD1 no hydrogen 3.099 N/A SER 89.A OG ASP 61.A OD2 no hydrogen 2.637 N/A ALA 90.A N ASN 86.A O no hydrogen 3.057 N/A VAL 91.A N THR 87.A O no hydrogen 2.864 N/A ALA 92.A N ALA 88.A O no hydrogen 2.986 N/A HIS 93.A N SER 89.A O no hydrogen 2.964 N/A HIS 93.A NE2 ASP 61.A OD1 no hydrogen 2.921 N/A ALA 94.A N ALA 90.A O no hydrogen 3.125 N/A ALA 95.A N VAL 91.A O no hydrogen 2.799 N/A HIS 96.A N ALA 92.A O no hydrogen 2.935 N/A HIS 96.A NE2 GLU 69.A OE2.B no hydrogen 2.805 N/A ALA 97.A N HIS 93.A O no hydrogen 2.884 N/A GLN 98.A N ALA 94.A O no hydrogen 3.075 N/A LYS 99.A N ALA 95.A O no hydrogen 3.013 N/A VAL 100.A N HIS 96.A O no hydrogen 2.993 N/A GLY 101.A N GLN 98.A O no hydrogen 3.355 N/A ALA 102.A N ALA 97.A O no hydrogen 3.038 N/A LYS 103.A N VAL 78.A O no hydrogen 2.893 N/A GLY 104.A N VAL 78.A O no hydrogen 3.199 N/A LEU 105.A N PRO 136.A O no hydrogen 2.885 N/A MET 106.A N VAL 80.A O no hydrogen 2.819 N/A VAL 107.A N VAL 138.A O no hydrogen 2.748 N/A ILE 108.A N THR 82.A OG1 no hydrogen 3.176 N/A ARG 110.A N GLN 121.A OE1 no hydrogen 2.891 N/A ARG 110.A NE SER 113.A O no hydrogen 2.733 N/A ARG 110.A NH2 SER 113.A OG no hydrogen 2.911 N/A SER 113.A N VAL 111.A O no hydrogen 2.818 N/A ALA 117.A N ARG 114.A O no hydrogen 3.042 N/A GLN 121.A N ALA 117.A O no hydrogen 2.967 N/A GLN 121.A NE2 ARG 110.A O no hydrogen 2.973 N/A GLN 121.A NE2 GLY 115.A O no hydrogen 2.822 N/A LYS 122.A N ILE 118.A O no hydrogen 2.961 N/A ALA 123.A N ALA 119.A O no hydrogen 3.251 N/A TYR 124.A N ALA 120.A O no hydrogen 2.942 N/A PHE 125.A N GLN 121.A O no hydrogen 2.883 N/A LYS 126.A N LYS 122.A O no hydrogen 3.030 N/A LYS 126.A NZ HIS 161.A NE2 no hydrogen 3.030 N/A ALA 127.A N ALA 123.A O no hydrogen 2.978 N/A ILE 128.A N TYR 124.A O no hydrogen 3.065 N/A LEU 129.A N PHE 125.A O no hydrogen 2.879 N/A SER 130.A N LYS 126.A O no hydrogen 2.954 N/A SER 130.A OG LYS 126.A O no hydrogen 2.717 N/A ALA 131.A N ILE 128.A O no hydrogen 3.124 N/A ALA 132.A N LEU 129.A O no hydrogen 3.303 N/A ASP 134.A N GLN 98.A OE1 no hydrogen 2.945 N/A LEU 135.A N ALA 132.A O no hydrogen 3.031 N/A ALA 137.A N ASN 163.A O no hydrogen 2.821 N/A VAL 138.A N LEU 105.A O no hydrogen 2.834 N/A ILE 139.A N GLY 166.A O no hydrogen 3.025 N/A TYR 140.A N VAL 107.A O no hydrogen 2.941 N/A ASN 141.A N LYS 168.A O no hydrogen 2.775 N/A ASN 141.A ND2 GLU 169.A OE1 no hydrogen 2.734 N/A ASN 141.A ND2 GLU 169.A OE2 no hydrogen 3.533 N/A TYR 144.A N SER 142.A OG no hydrogen 3.230 N/A TYR 145.A N SER 142.A O no hydrogen 3.278 N/A GLY 146.A N PRO 143.A O no hydrogen 3.011 N/A THR 149.A N ASN 141.A OD1 no hydrogen 2.787 N/A ALA 151.A N TYR 178.A OH no hydrogen 3.026 N/A LEU 153.A N ASP 152.A OD1 no hydrogen 2.688 N/A PHE 154.A N ARG 150.A O no hydrogen 2.940 N/A PHE 155.A N ALA 151.A O no hydrogen 2.867 N/A ASP 156.A N ASP 152.A O no hydrogen 2.915 N/A LEU 157.A N LEU 153.A O no hydrogen 2.825 N/A ARG 158.A N PHE 154.A O no hydrogen 2.865 N/A ARG 158.A NH1 LEU 164.A O no hydrogen 2.799 N/A ALA 159.A N PHE 155.A O no hydrogen 2.921 N/A GLU 160.A N LEU 157.A O no hydrogen 3.130 N/A HIS 161.A N LEU 157.A O no hydrogen 2.787 N/A ASN 163.A ND2 LEU 129.A O no hydrogen 3.254 N/A ASN 163.A ND2 ALA 132.A O no hydrogen 2.987 N/A ASN 163.A ND2 LEU 135.A O no hydrogen 3.266 N/A LEU 164.A N HIS 161.A O no hydrogen 2.980 N/A VAL 165.A N ALA 137.A O no hydrogen 3.000 N/A PHE 167.A N SER 191.A O no hydrogen 2.935 N/A LYS 168.A N ILE 139.A O no hydrogen 2.845 N/A PHE 170.A N ASN 141.A O no hydrogen 2.982 N/A GLY 171.A N.A GLU 169.A OE2 no hydrogen 2.783 N/A GLY 171.A N.B GLU 169.A OE2 no hydrogen 2.751 N/A MET 176.A N GLY 172.A O.A no hydrogen 2.999 N/A MET 176.A N GLY 172.A O.B no hydrogen 3.216 N/A ARG 177.A N PRO 173.A O no hydrogen 3.000 N/A ARG 177.A NE.A GLU 181.A OE2 no hydrogen 2.916 N/A ARG 177.A NE.B GLU 181.A OE2 no hydrogen 2.477 N/A ARG 177.A NH2.A GLU 181.A OE2 no hydrogen 2.635 N/A TYR 178.A N ALA 174.A O no hydrogen 2.944 N/A ALA 179.A N ASP 175.A O no hydrogen 3.032 N/A ALA 180.A N MET 176.A O no hydrogen 2.937 N/A GLU 181.A N ARG 177.A O no hydrogen 2.839 N/A ASN 182.A N TYR 178.A O no hydrogen 3.036 N/A ASN 182.A ND2 TYR 178.A O no hydrogen 3.192 N/A ILE 183.A N ALA 179.A O no hydrogen 2.805 N/A THR 184.A N ALA 179.A O no hydrogen 2.981 N/A THR 184.A OG1 ALA 179.A O no hydrogen 3.456 N/A SER 185.A OG ALA 180.A O no hydrogen 2.584 N/A SER 191.A N VAL 165.A O no hydrogen 2.851 N/A MET 193.A N PHE 167.A O no hydrogen 2.819 N/A ILE 194.A N GLY 211.A O no hydrogen 2.917 N/A ASP 197.A N ASP 259.A OD2 no hydrogen 3.026 N/A THR 198.A OG1 GLU 260.A OE2 no hydrogen 2.655 N/A ALA 199.A N VAL 196.A O no hydrogen 3.186 N/A PHE 201.A N GLU 249.A OE2 no hydrogen 2.945 N/A HIS 202.A NE2 PRO 173.A O no hydrogen 2.944 N/A GLY 203.A N ALA 199.A O no hydrogen 2.844 N/A PHE 204.A N VAL 200.A O no hydrogen 3.046 N/A VAL 205.A N PHE 201.A O no hydrogen 2.850 N/A ASN 206.A N HIS 202.A O no hydrogen 2.948 N/A ASN 206.A ND2 HIS 202.A ND1 no hydrogen 3.073 N/A CYS 207.A N GLY 203.A O no hydrogen 3.232 N/A CYS 207.A SG HIS 202.A NE2 no hydrogen 3.464 N/A CYS 207.A SG HIS 202.A O no hydrogen 3.559 N/A ALA 209.A N GLY 203.A O no hydrogen 2.912 N/A THR 210.A N LEU 192.A O no hydrogen 2.980 N/A THR 210.A OG1 PHE 10.A O no hydrogen 2.962 N/A THR 210.A OG1 LEU 192.A O no hydrogen 3.442 N/A ALA 212.A N GLY 12.A O no hydrogen 2.926 N/A ILE 213.A N ILE 194.A O no hydrogen 2.979 N/A THR 214.A N ILE 14.A O no hydrogen 2.840 N/A THR 214.A OG1 ASP 197.A OD1 no hydrogen 3.469 N/A GLY 215.A N ASP 197.A OD1 no hydrogen 2.818 N/A ILE 216.A N ASP 197.A OD2 no hydrogen 2.768 N/A GLY 217.A N THR 214.A OG1 no hydrogen 2.843 N/A ASN 218.A N GLY 215.A O no hydrogen 3.024 N/A ASN 218.A ND2 ALA 16.A O no hydrogen 2.944 N/A ASN 218.A ND2 GLY 215.A O no hydrogen 2.861 N/A VAL 219.A N ILE 216.A O no hydrogen 2.870 N/A LEU 220.A N ILE 216.A O no hydrogen 2.897 N/A LYS 222.A NZ ASP 42.A O no hydrogen 2.860 N/A GLU 223.A N GLU 223.A OE1 no hydrogen 2.713 N/A VAL 224.A N LEU 220.A O no hydrogen 2.957 N/A ILE 225.A N PRO 221.A O no hydrogen 2.842 N/A HIS 226.A N LYS 222.A O no hydrogen 2.905 N/A HIS 226.A ND1 TYR 309.A OH no hydrogen 2.680 N/A HIS 226.A NE2 VAL 319.A O no hydrogen 2.711 N/A LEU 227.A N GLU 223.A O no hydrogen 3.014 N/A CYS 228.A N VAL 224.A O no hydrogen 2.924 N/A CYS 228.A SG VAL 224.A O no hydrogen 3.422 N/A ASN 229.A N ILE 225.A O no hydrogen 2.731 N/A ASN 229.A ND2 CYS 322.A O no hydrogen 2.857 N/A ASN 229.A ND2 LYS 323.A O no hydrogen 3.642 N/A LEU 230.A N HIS 226.A O no hydrogen 2.887 N/A SER 231.A N LEU 227.A O no hydrogen 2.916 N/A SER 231.A OG LEU 227.A O no hydrogen 2.916 N/A GLN 232.A N CYS 228.A O no hydrogen 2.860 N/A ALA 233.A N ASN 229.A O no hydrogen 2.931 N/A ALA 234.A N LEU 230.A O no hydrogen 2.869 N/A ALA 235.A N SER 231.A O no hydrogen 2.931 N/A LEU 236.A N GLN 232.A O no hydrogen 3.287 N/A LEU 236.A N ALA 233.A O no hydrogen 3.097 N/A GLY 237.A N ALA 234.A O no hydrogen 2.911 N/A ASP 238.A N ALA 233.A O no hydrogen 3.281 N/A ALA 241.A N ASP 238.A OD2 no hydrogen 2.900 N/A GLN 243.A N VAL 239.A O no hydrogen 3.349 N/A GLN 243.A NE2.A GLU 247.A OE2 no hydrogen 2.786 N/A ARG 244.A N ASP 240.A O no hydrogen 2.936 N/A ARG 244.A NH1 GLU 247.A OE1 no hydrogen 2.804 N/A ARG 244.A NH1 GLU 247.A OE2 no hydrogen 3.433 N/A ALA 245.A N ALA 241.A O no hydrogen 2.778 N/A GLN 246.A NE2 ARG 242.A O no hydrogen 3.003 N/A GLU 247.A N GLN 243.A O no hydrogen 3.165 N/A LEU 248.A N ARG 244.A O no hydrogen 2.940 N/A GLU 249.A N ALA 245.A O no hydrogen 2.857 N/A GLN 250.A N GLN 246.A O no hydrogen 2.938 N/A ALA 251.A N GLU 247.A O no hydrogen 3.040 N/A LEU 252.A N LEU 248.A O no hydrogen 2.963 N/A ALA 253.A N GLN 250.A O no hydrogen 3.224 N/A SER 256.A N LEU 252.A O no hydrogen 2.858 N/A SER 256.A OG LEU 252.A O no hydrogen 2.888 N/A SER 257.A N ALA 253.A O no hydrogen 2.887 N/A SER 257.A N VAL 254.A O no hydrogen 3.040 N/A SER 257.A OG ALA 253.A O no hydrogen 3.479 N/A SER 257.A OG VAL 254.A O no hydrogen 2.506 N/A ASP 259.A N SER 256.A O no hydrogen 3.080 N/A GLU 260.A N SER 257.A O no hydrogen 3.044 N/A GLY 261.A N PHE 258.A O no hydrogen 3.388 N/A TYR 267.A N ASP 263.A O no hydrogen 2.910 N/A PHE 268.A N LEU 264.A O no hydrogen 2.840 N/A LYS 269.A N VAL 265.A O no hydrogen 2.877 N/A LYS 269.A NZ THR 19.A O no hydrogen 2.837 N/A LYS 269.A NZ LEU 282.A O no hydrogen 3.378 N/A HIS 270.A N LEU 266.A O no hydrogen 3.084 N/A HIS 270.A NE2 GLU 299.A OE2 no hydrogen 2.743 N/A MET 271.A N TYR 267.A O no hydrogen 2.977 N/A MET 272.A N PHE 268.A O no hydrogen 2.986 N/A VAL 273.A N LYS 269.A O no hydrogen 3.088 N/A LEU 274.A N HIS 270.A O no hydrogen 2.878 N/A LYS 275.A N MET 271.A O no hydrogen 3.074 N/A LYS 275.A NZ ASP 277.A OD2 no hydrogen 3.003 N/A GLY 276.A N VAL 273.A O no hydrogen 2.884 N/A ASP 277.A N MET 272.A O no hydrogen 2.939 N/A GLU 279.A N GLU 279.A OE1 no hydrogen 2.730 N/A TYR 280.A N ASP 277.A O no hydrogen 3.187 N/A THR 281.A N LYS 278.A O no hydrogen 3.028 N/A THR 281.A OG1 LYS 278.A O no hydrogen 2.641 N/A ASN 285.A ND2 ASP 288.A OD2 no hydrogen 3.184 N/A ASP 288.A N ASN 285.A O no hydrogen 3.177 N/A SER 291.A N GLN 294.A OE1 no hydrogen 2.931 N/A SER 291.A OG GLN 294.A OE1 no hydrogen 3.513 N/A GLN 294.A N SER 291.A OG no hydrogen 3.035 N/A GLN 294.A NE2 ASP 263.A OD2 no hydrogen 3.107 N/A ARG 295.A N SER 291.A O no hydrogen 2.897 N/A GLY 296.A N GLU 292.A O no hydrogen 2.994 N/A TYR 297.A N SER 293.A O no hydrogen 2.901 N/A VAL 298.A N GLN 294.A O no hydrogen 3.014 N/A GLU 299.A N ARG 295.A O no hydrogen 2.991 N/A THR 300.A N GLY 296.A O no hydrogen 2.976 N/A THR 300.A OG1 GLY 296.A O no hydrogen 2.947 N/A GLN 301.A N TYR 297.A O no hydrogen 2.932 N/A PHE 302.A N VAL 298.A O no hydrogen 2.712 N/A ARG 303.A N GLU 299.A O no hydrogen 3.060 N/A LEU 304.A N THR 300.A O no hydrogen 2.939 N/A PHE 305.A N GLN 301.A O no hydrogen 3.048 N/A ASN 306.A N PHE 302.A O no hydrogen 2.952 N/A THR 307.A N ARG 303.A O no hydrogen 2.962 N/A THR 307.A OG1 ARG 303.A O no hydrogen 2.950 N/A TRP 308.A N LEU 304.A O no hydrogen 2.998 N/A TYR 309.A N PHE 305.A O no hydrogen 2.912 N/A TYR 309.A OH HIS 226.A ND1 no hydrogen 2.680 N/A ALA 310.A N ASN 306.A O no hydrogen 3.034 N/A GLU 311.A N TRP 308.A O no hydrogen 3.232 N/A TRP 312.A N TRP 308.A O no hydrogen 2.845 N/A TRP 312.A NE1 GLU 247.A OE1 no hydrogen 2.896 N/A SER 313.A N TYR 309.A O no hydrogen 2.864 N/A SER 313.A OG TYR 309.A O no hydrogen 2.732 N/A LYS 314.A N GLU 311.A O no hydrogen 3.060 N/A LYS 314.A NZ GLU 311.A OE1 no hydrogen 2.904 N/A LEU 315.A N TRP 312.A O no hydrogen 3.070 N/A ALA 318.A N ASP 240.A OD2 no hydrogen 2.728 N/A GLN 320.A N GLY 317.A O no hydrogen 2.977 N/A GLN 320.A NE2 SER 313.A O no hydrogen 2.768 N/A GLN 320.A NE2 LEU 315.A O no hydrogen 2.710 N/A ARG 321.A N GLY 317.A O no hydrogen 3.059 N/A ARG 321.A NH2 ASP 238.A OD2 no hydrogen 3.231 N/A CYS 322.A N ALA 318.A O no hydrogen 2.934 N/A CYS 322.A SG ASN 229.A O no hydrogen 3.799 N/A LYS 323.A N GLN 320.A O no hydrogen 3.320 N/A LYS 323.A NZ SER 313.A O no hydrogen 3.023 N/A LYS 323.A NZ GLN 320.A OE1 no hydrogen 2.923 N/A