Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1mpy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLY 173.A O no hydrogen 3.218 N/A MET 1.A N LEU 194.A O no hydrogen 2.661 N/A LYS 3.A NZ ASP 84.A OD2 no hydrogen 3.214 N/A LYS 3.A NZ LYS 170.A O no hydrogen 3.273 N/A LYS 3.A NZ VAL 171.A O no hydrogen 3.112 N/A MET 6.A N LYS 71.A O no hydrogen 3.073 N/A GLY 9.A N GLY 69.A O no hydrogen 2.820 N/A HIS 10.A N GLY 69.A O no hydrogen 3.232 N/A HIS 10.A NE2 GLU 118.A OE1 no hydrogen 3.104 N/A VAL 11.A N SER 54.A O no hydrogen 2.901 N/A GLN 12.A N PHE 67.A O no hydrogen 3.067 N/A GLN 12.A NE2 ASP 66.A OD2 no hydrogen 2.806 N/A LEU 13.A N VAL 56.A O no hydrogen 3.027 N/A ARG 14.A N GLY 64.A O no hydrogen 2.666 N/A ARG 14.A NE GLU 62.A O no hydrogen 2.800 N/A ARG 14.A NH1 ASP 66.A OD1 no hydrogen 2.815 N/A ARG 14.A NH2 PRO 63.A O no hydrogen 3.009 N/A VAL 15.A N ARG 58.A O no hydrogen 2.835 N/A LEU 16.A N SER 260.A OG no hydrogen 2.878 N/A MET 18.A N GLU 59.A OE1 no hydrogen 3.482 N/A LYS 20.A N ASP 17.A OD1 no hydrogen 2.891 N/A ALA 21.A N ASP 17.A O no hydrogen 2.890 N/A LEU 22.A N MET 18.A O no hydrogen 2.922 N/A GLU 23.A N SER 19.A O no hydrogen 3.406 N/A HIS 24.A N LYS 20.A O no hydrogen 3.142 N/A HIS 24.A NE2 ASN 264.A OD1 no hydrogen 2.620 N/A TYR 25.A N ALA 21.A O no hydrogen 3.046 N/A TYR 25.A OH ASP 258.A OD2 no hydrogen 2.910 N/A TYR 25.A OH ASN 264.A OD1 no hydrogen 3.322 N/A VAL 26.A N LEU 22.A O no hydrogen 2.894 N/A GLU 27.A N GLU 23.A O no hydrogen 3.021 N/A LEU 28.A N GLU 23.A O no hydrogen 3.277 N/A LEU 29.A N HIS 24.A O no hydrogen 2.917 N/A GLY 30.A N VAL 26.A O no hydrogen 3.137 N/A LEU 31.A N TYR 25.A O no hydrogen 2.994 N/A ILE 32.A N LYS 45.A O no hydrogen 2.726 N/A MET 34.A N TYR 43.A O no hydrogen 2.708 N/A ASP 35.A N TYR 43.A O no hydrogen 3.296 N/A ARG 36.A N ASP 35.A OD1 no hydrogen 2.950 N/A ASP 37.A N ARG 41.A O no hydrogen 2.900 N/A GLY 40.A N ASP 37.A O no hydrogen 3.124 N/A ARG 41.A N ASP 37.A OD1 no hydrogen 3.029 N/A ARG 41.A NE GLN 12.A OE1 no hydrogen 3.355 N/A ARG 41.A NH1 ASP 37.A OD2 no hydrogen 3.263 N/A ARG 41.A NH1 GLU 99.A O no hydrogen 2.964 N/A ARG 41.A NH1 GLU 99.A OE1 no hydrogen 3.379 N/A ARG 41.A NH2 GLN 12.A OE1 no hydrogen 3.450 N/A ARG 41.A NH2 GLU 99.A OE1 no hydrogen 3.553 N/A ARG 41.A NH2 GLU 99.A OE2 no hydrogen 3.255 N/A VAL 42.A N LEU 57.A O no hydrogen 3.085 N/A TYR 43.A N ASP 35.A O no hydrogen 2.868 N/A TYR 43.A OH ASP 37.A OD2 no hydrogen 2.577 N/A LEU 44.A N LEU 55.A O no hydrogen 2.685 N/A LYS 45.A N ILE 32.A O no hydrogen 2.822 N/A LYS 45.A NZ GLU 49.A O no hydrogen 2.849 N/A LYS 45.A NZ ASP 51.A O no hydrogen 3.181 N/A ALA 46.A N GLU 49.A OE1 no hydrogen 3.163 N/A THR 48.A N VAL 149.A O no hydrogen 3.371 N/A THR 48.A OG1 VAL 149.A O no hydrogen 2.717 N/A GLU 49.A N ALA 46.A O no hydrogen 3.298 N/A LYS 52.A N GLU 124.A O no hydrogen 2.994 N/A LYS 52.A NZ GLU 124.A OE1 no hydrogen 3.127 N/A LYS 52.A NZ GLU 124.A OE2 no hydrogen 3.442 N/A SER 54.A N LEU 44.A O no hydrogen 2.904 N/A SER 54.A OG GLU 49.A OE1 no hydrogen 2.840 N/A LEU 55.A N LEU 44.A O no hydrogen 3.058 N/A VAL 56.A N VAL 11.A O no hydrogen 3.145 N/A LEU 57.A N VAL 42.A O no hydrogen 2.958 N/A ARG 58.A N LEU 13.A O no hydrogen 2.963 N/A ARG 58.A NH1 ASP 66.A OD2 no hydrogen 3.029 N/A ALA 60.A N VAL 15.A O no hydrogen 2.982 N/A ASP 66.A N GLN 12.A O no hydrogen 2.877 N/A MET 68.A N HIS 116.A O no hydrogen 3.235 N/A GLY 69.A N HIS 10.A O no hydrogen 2.837 N/A PHE 70.A N GLU 118.A O no hydrogen 2.767 N/A LYS 71.A N ARG 7.A O no hydrogen 3.043 N/A LYS 71.A NZ ASP 51.A OD2 no hydrogen 2.853 N/A VAL 72.A N TYR 120.A O no hydrogen 2.843 N/A VAL 73.A N GLY 4.A O no hydrogen 3.091 N/A ALA 77.A N ASP 74.A OD1 no hydrogen 2.848 N/A LEU 78.A N ASP 74.A O no hydrogen 3.257 N/A ARG 79.A N GLU 75.A O no hydrogen 3.007 N/A GLN 80.A N ASP 76.A O no hydrogen 2.973 N/A LEU 81.A N ALA 77.A O no hydrogen 2.896 N/A GLU 82.A N LEU 78.A O no hydrogen 2.891 N/A ARG 83.A N ARG 79.A O no hydrogen 2.916 N/A ASP 84.A N GLN 80.A O no hydrogen 2.922 N/A LEU 85.A N LEU 81.A O no hydrogen 2.762 N/A MET 86.A N GLU 82.A O no hydrogen 3.197 N/A ALA 87.A N ARG 83.A O no hydrogen 2.817 N/A TYR 88.A N ASP 84.A O no hydrogen 2.852 N/A GLY 89.A N MET 86.A O no hydrogen 3.032 N/A CYS 90.A N LEU 85.A O no hydrogen 3.063 N/A GLU 93.A N ARG 108.A O no hydrogen 2.974 N/A GLN 94.A NE2 GLU 82.A OE2 no hydrogen 2.905 N/A LEU 95.A N ARG 106.A O no hydrogen 2.915 N/A GLY 98.A N CYS 103.A O no hydrogen 3.108 N/A GLU 99.A N PRO 96.A O no hydrogen 3.211 N/A ASN 101.A N TYR 43.A OH no hydrogen 3.088 N/A SER 102.A OG GLU 124.A OE1 no hydrogen 3.050 N/A CYS 103.A N LEU 100.A O no hydrogen 3.025 N/A CYS 103.A SG GLY 104.A O no hydrogen 3.735 N/A CYS 103.A SG ASP 122.A O no hydrogen 3.918 N/A GLY 104.A N ASP 122.A O no hydrogen 2.693 N/A ARG 105.A NH1 GLU 82.A OE2 no hydrogen 3.525 N/A ARG 106.A N LEU 95.A O no hydrogen 2.972 N/A ARG 106.A NH1 GLU 118.A OE1 no hydrogen 2.938 N/A ARG 106.A NH2 GLU 99.A OE2 no hydrogen 2.885 N/A VAL 107.A N LEU 119.A O no hydrogen 3.073 N/A ARG 108.A N GLU 93.A O no hydrogen 2.893 N/A ARG 108.A NE GLU 118.A OE2 no hydrogen 3.057 N/A ARG 108.A NH1 GLU 93.A OE1 no hydrogen 3.229 N/A PHE 109.A N PHE 117.A O no hydrogen 2.909 N/A GLN 110.A NE2 GLY 114.A O no hydrogen 3.187 N/A ALA 111.A N HIS 115.A O no hydrogen 2.770 N/A SER 113.A OG HIS 115.A ND1 no hydrogen 2.783 N/A GLY 114.A N ALA 111.A O no hydrogen 2.622 N/A HIS 115.A ND1 SER 113.A OG no hydrogen 2.783 N/A HIS 115.A NE2 ARG 211.A O no hydrogen 2.833 N/A PHE 117.A N PHE 109.A O no hydrogen 2.758 N/A GLU 118.A N MET 68.A O no hydrogen 2.984 N/A LEU 119.A N VAL 107.A O no hydrogen 2.987 N/A TYR 120.A N PHE 70.A O no hydrogen 3.099 N/A LYS 123.A NZ GLY 9.A O no hydrogen 3.539 N/A LYS 123.A NZ HIS 10.A ND1 no hydrogen 2.996 N/A LYS 123.A NZ PHE 53.A O no hydrogen 2.961 N/A LYS 123.A NZ TYR 120.A OH no hydrogen 3.248 N/A GLU 124.A N SER 102.A O no hydrogen 2.926 N/A THR 126.A N VAL 50.A O no hydrogen 2.846 N/A GLY 127.A N VAL 50.A O no hydrogen 2.652 N/A TRP 129.A N TRP 47.A O no hydrogen 2.877 N/A VAL 134.A N ASN 132.A OD1 no hydrogen 3.059 N/A MET 146.A N LEU 28.A O no hydrogen 2.803 N/A ALA 147.A N LYS 144.A O no hydrogen 2.856 N/A ALA 148.A N LEU 29.A O no hydrogen 2.940 N/A VAL 149.A N HIS 218.A O no hydrogen 2.827 N/A PHE 151.A N GLU 49.A OE2 no hydrogen 3.224 N/A ASP 152.A N SER 216.A O no hydrogen 2.736 N/A HIS 153.A ND1 ASP 152.A OD2 no hydrogen 2.887 N/A LEU 155.A N HIS 214.A O no hydrogen 2.956 N/A MET 156.A N ALA 202.A O no hydrogen 2.810 N/A TYR 157.A N ARG 211.A O no hydrogen 3.119 N/A GLY 158.A N ILE 204.A O no hydrogen 3.144 N/A THR 164.A N GLU 160.A O no hydrogen 2.970 N/A THR 164.A OG1 GLU 160.A O no hydrogen 2.796 N/A TYR 165.A N LEU 161.A O no hydrogen 2.753 N/A ASP 166.A N PRO 162.A O no hydrogen 3.195 N/A LEU 167.A N ALA 163.A O no hydrogen 3.025 N/A PHE 168.A N THR 164.A O no hydrogen 2.835 N/A THR 169.A N TYR 165.A O no hydrogen 2.909 N/A THR 169.A OG1 TYR 165.A O no hydrogen 2.851 N/A THR 169.A OG1 ASP 166.A O no hydrogen 3.510 N/A LYS 170.A N ASP 166.A O no hydrogen 2.741 N/A VAL 171.A N LEU 167.A O no hydrogen 3.042 N/A LEU 172.A N LEU 167.A O no hydrogen 3.245 N/A GLY 173.A N THR 169.A O no hydrogen 3.150 N/A PHE 174.A N PHE 168.A O no hydrogen 3.250 N/A TYR 175.A N SER 193.A O no hydrogen 2.975 N/A TYR 175.A OH SER 195.A O no hydrogen 2.730 N/A ALA 177.A N PHE 191.A O no hydrogen 2.725 N/A GLU 178.A N PHE 191.A O no hydrogen 3.180 N/A GLN 179.A N VAL 280.A O no hydrogen 2.880 N/A GLN 179.A NE2 THR 281.A OG1 no hydrogen 3.413 N/A VAL 180.A N ALA 189.A O no hydrogen 3.132 N/A LEU 181.A N TRP 282.A O no hydrogen 2.949 N/A ASP 182.A N THR 186.A O no hydrogen 2.897 N/A ASN 184.A N ASP 182.A OD1 no hydrogen 2.926 N/A ASN 184.A N GLU 183.A OE1 no hydrogen 3.347 N/A GLY 185.A N ASP 182.A O no hydrogen 2.677 N/A THR 186.A N ASP 182.A OD1 no hydrogen 3.024 N/A ARG 187.A NE GLN 179.A OE1 no hydrogen 2.857 N/A ARG 187.A NH2 GLN 179.A OE1 no hydrogen 3.131 N/A VAL 188.A N VAL 180.A O no hydrogen 2.730 N/A ALA 189.A N VAL 180.A O no hydrogen 3.307 N/A GLN 190.A N PHE 203.A O no hydrogen 3.040 N/A GLN 190.A NE2 LEU 161.A O no hydrogen 3.084 N/A PHE 191.A N GLU 178.A O no hydrogen 2.884 N/A LEU 192.A N VAL 201.A O no hydrogen 2.988 N/A SER 193.A N TYR 175.A O no hydrogen 2.894 N/A SER 193.A OG TYR 175.A O no hydrogen 3.521 N/A LEU 194.A N ASP 200.A OD2 no hydrogen 2.827 N/A LYS 197.A NZ ASP 152.A O no hydrogen 2.759 N/A LYS 197.A NZ ASP 200.A OD1 no hydrogen 2.870 N/A ASP 200.A N LEU 192.A O no hydrogen 2.855 N/A VAL 201.A N LEU 192.A O no hydrogen 3.307 N/A PHE 203.A N GLN 190.A O no hydrogen 3.015 N/A ILE 204.A N MET 156.A O no hydrogen 2.836 N/A HIS 205.A N VAL 188.A O no hydrogen 2.937 N/A HIS 206.A N GLY 158.A O no hydrogen 2.598 N/A LYS 209.A NZ PRO 112.A O no hydrogen 3.005 N/A GLY 210.A N SER 113.A O no hydrogen 2.867 N/A ARG 211.A NE GLU 208.A OE1 no hydrogen 3.458 N/A LEU 212.A N THR 307.A OG1 no hydrogen 3.363 N/A HIS 213.A N LEU 155.A O no hydrogen 3.079 N/A HIS 213.A ND1 HIS 214.A ND1 no hydrogen 2.916 N/A HIS 213.A NE2 PHE 302.A O no hydrogen 2.695 N/A HIS 214.A N LEU 155.A O no hydrogen 3.462 N/A HIS 214.A ND1 HIS 213.A ND1 no hydrogen 2.916 N/A VAL 215.A N ARG 263.A O no hydrogen 3.403 N/A SER 216.A N HIS 153.A O no hydrogen 2.696 N/A SER 216.A OG HIS 153.A NE2 no hydrogen 3.152 N/A SER 216.A OG GLU 265.A OE1 no hydrogen 2.460 N/A PHE 217.A N GLU 265.A O no hydrogen 3.051 N/A HIS 218.A N ARG 150.A O no hydrogen 2.861 N/A LEU 219.A N PHE 267.A O no hydrogen 2.950 N/A THR 221.A N ASP 224.A OD2 no hydrogen 3.023 N/A THR 221.A OG1 ASP 224.A OD2 no hydrogen 2.969 N/A ASP 224.A N THR 221.A O no hydrogen 2.861 N/A ASP 224.A N THR 221.A OG1 no hydrogen 3.261 N/A LEU 225.A N THR 221.A O no hydrogen 3.002 N/A LEU 226.A N TRP 222.A O no hydrogen 3.176 N/A ARG 227.A N GLU 223.A O no hydrogen 3.100 N/A ALA 228.A N ASP 224.A O no hydrogen 2.997 N/A ALA 229.A N LEU 225.A O no hydrogen 3.027 N/A ASP 230.A N LEU 226.A O no hydrogen 3.047 N/A LEU 231.A N ARG 227.A O no hydrogen 3.115 N/A ILE 232.A N ALA 228.A O no hydrogen 2.916 N/A SER 233.A N ALA 229.A O no hydrogen 3.164 N/A MET 234.A N ASP 230.A O no hydrogen 2.777 N/A THR 235.A N LEU 231.A O no hydrogen 2.768 N/A THR 235.A OG1 LEU 231.A O no hydrogen 2.707 N/A THR 235.A OG1 ILE 232.A O no hydrogen 3.364 N/A THR 235.A OG1 THR 237.A OG1 no hydrogen 2.860 N/A ASP 236.A N SER 233.A O no hydrogen 3.397 N/A THR 237.A N ILE 232.A O no hydrogen 2.949 N/A THR 237.A OG1 THR 235.A OG1 no hydrogen 2.860 N/A ASP 240.A N TYR 255.A O no hydrogen 2.763 N/A ILE 241.A N TYR 255.A O no hydrogen 3.214 N/A THR 244.A N THR 253.A O no hydrogen 2.974 N/A THR 244.A OG1 ARG 245.A O no hydrogen 3.503 N/A ARG 245.A N THR 244.A OG1 no hydrogen 2.562 N/A ARG 245.A NE HIS 250.A O no hydrogen 2.938 N/A ARG 245.A NH2 HIS 250.A O no hydrogen 3.537 N/A HIS 246.A N GLY 251.A O no hydrogen 3.002 N/A HIS 246.A ND1 ILE 291.A O no hydrogen 2.734 N/A LEU 248.A N ALA 290.A O no hydrogen 2.763 N/A THR 249.A N GLU 178.A OE1 no hydrogen 2.720 N/A THR 249.A OG1 LEU 248.A O no hydrogen 2.650 N/A HIS 250.A ND1 ASP 271.A OD2 no hydrogen 2.883 N/A LYS 252.A N CYS 268.A O no hydrogen 2.963 N/A THR 253.A N THR 244.A O no hydrogen 2.755 N/A THR 253.A OG1 GLU 265.A OE2 no hydrogen 2.858 N/A ILE 254.A N VAL 266.A O no hydrogen 3.036 N/A TYR 255.A N ILE 241.A O no hydrogen 3.013 N/A PHE 256.A N ASN 264.A O no hydrogen 2.915 N/A PHE 257.A N SER 238.A O no hydrogen 2.944 N/A ASP 258.A N ASN 262.A O no hydrogen 2.897 N/A SER 260.A N ASP 258.A OD1 no hydrogen 3.198 N/A GLY 261.A N ASP 258.A O no hydrogen 2.955 N/A ASN 262.A ND2 ARG 14.A O no hydrogen 3.046 N/A ASN 262.A ND2 ASP 258.A OD2 no hydrogen 3.118 N/A ARG 263.A NE ASP 240.A OD2 no hydrogen 2.899 N/A ARG 263.A NH1 HIS 213.A O no hydrogen 3.008 N/A ARG 263.A NH1 VAL 305.A O no hydrogen 3.207 N/A ARG 263.A NH2 ASP 240.A OD2 no hydrogen 3.222 N/A ASN 264.A N PHE 256.A O no hydrogen 2.628 N/A ASN 264.A ND2 TYR 25.A OH no hydrogen 3.072 N/A GLU 265.A N VAL 215.A O no hydrogen 3.117 N/A VAL 266.A N ILE 254.A O no hydrogen 3.166 N/A PHE 267.A N PHE 217.A O no hydrogen 3.401 N/A CYS 268.A N LYS 252.A O no hydrogen 3.108 N/A ASN 273.A N THR 196.A O no hydrogen 2.997 N/A ASN 273.A ND2 TYR 175.A OH no hydrogen 2.920 N/A ASN 273.A ND2 LYS 197.A O no hydrogen 3.468 N/A ASP 276.A N ASP 276.A OD1 no hydrogen 2.660 N/A HIS 277.A N TYR 274.A O no hydrogen 2.925 N/A VAL 280.A N ALA 177.A O no hydrogen 3.004 N/A THR 281.A OG1 PRO 279.A O no hydrogen 3.410 N/A TRP 282.A N GLN 179.A O no hydrogen 2.982 N/A THR 283.A OG1 ASP 285.A OD1 no hydrogen 2.768 N/A THR 284.A N LEU 181.A O no hydrogen 3.203 N/A GLN 286.A N THR 283.A O no hydrogen 2.789 N/A GLN 286.A NE2 ASP 285.A O no hydrogen 3.104 N/A LEU 287.A N THR 284.A O no hydrogen 2.861 N/A ALA 290.A N GLN 286.A O no hydrogen 2.710 N/A ILE 291.A N LEU 287.A O no hydrogen 3.182 N/A PHE 292.A N GLY 288.A O no hydrogen 3.007 N/A TYR 293.A N ARG 245.A O no hydrogen 3.007 N/A ARG 296.A N PHE 292.A O no hydrogen 2.611 N/A ASN 299.A ND2 GLU 300.A OE1 no hydrogen 2.771 N/A ARG 301.A N GLU 300.A OE1 no hydrogen 3.127 N/A ARG 301.A NH1 ASP 240.A OD1 no hydrogen 3.323 N/A PHE 302.A N ASN 299.A O no hydrogen 2.981 N/A THR 304.A N ARG 301.A O no hydrogen 3.158 N/A THR 304.A OG1 GLU 300.A O no hydrogen 2.797 N/A VAL 305.A N ARG 301.A O no hydrogen 2.877 N/A THR 307.A N LEU 212.A O no hydrogen 2.625 N/A