Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8pme_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N TRP 74.A O no hydrogen 2.753 N/A ASN 5.A N ASP 9.A OD2 no hydrogen 2.943 N/A SER 6.A OG LEU 224.A O no hydrogen 3.217 N/A LEU 8.A N LEU 224.A O no hydrogen 2.865 N/A ASP 9.A N SER 6.A OG no hydrogen 3.120 N/A LEU 10.A N SER 6.A O no hydrogen 3.215 N/A THR 11.A OG1 ASP 9.A O no hydrogen 3.058 N/A ILE 12.A N ASP 9.A O no hydrogen 3.208 N/A ARG 13.A N LEU 10.A O no hydrogen 2.884 N/A ARG 13.A NH1 THR 27.A OG1 no hydrogen 2.935 N/A ARG 13.A NH1 ALA 253.A O no hydrogen 3.179 N/A ARG 13.A NH2 ALA 253.A O no hydrogen 2.948 N/A PHE 15.A N THR 11.A O no hydrogen 3.012 N/A HIS 16.A N ILE 12.A O no hydrogen 3.239 N/A HIS 16.A NE2 GLU 68.A O no hydrogen 2.703 N/A SER 17.A N ALA 14.A O no hydrogen 3.100 N/A SER 17.A OG ARG 13.A O no hydrogen 3.279 N/A SER 17.A OG ALA 14.A O no hydrogen 2.672 N/A LEU 20.A N HIS 16.A O no hydrogen 3.064 N/A ARG 21.A N SER 17.A O no hydrogen 2.930 N/A ARG 21.A NH1 ALA 180.A O no hydrogen 3.045 N/A ARG 21.A NH2 ALA 180.A O no hydrogen 3.307 N/A ARG 21.A NH2 GLU 255.A OE1 no hydrogen 3.278 N/A SER 24.A OG LEU 20.A O no hydrogen 2.650 N/A LEU 25.A N PHE 47.A O no hydrogen 2.724 N/A THR 27.A N GLU 255.A O no hydrogen 2.950 N/A ALA 28.A N LEU 45.A O no hydrogen 2.949 N/A VAL 29.A N TYR 252.A O no hydrogen 3.031 N/A GLY 30.A N ALA 43.A O no hydrogen 3.009 N/A ARG 32.A N ILE 41.A O no hydrogen 2.691 N/A ARG 32.A NE ASP 76.A OD2 no hydrogen 2.928 N/A ARG 32.A NH2 ASP 76.A OD2 no hydrogen 2.871 N/A ARG 32.A NH2 VAL 77.A O no hydrogen 2.897 N/A ILE 33.A N ASP 78.A OD2 no hydrogen 2.848 N/A ARG 34.A N ASP 37.A O no hydrogen 2.908 N/A ASP 37.A N ARG 34.A O no hydrogen 2.999 N/A THR 39.A N ARG 32.A O no hydrogen 2.960 N/A THR 39.A OG1 ARG 32.A O no hydrogen 2.710 N/A ILE 41.A N THR 39.A OG1 no hydrogen 3.035 N/A ALA 43.A N GLY 30.A O no hydrogen 2.898 N/A ILE 44.A N ASP 76.A O no hydrogen 2.770 N/A LEU 45.A N ALA 28.A O no hydrogen 2.694 N/A VAL 46.A N ASP 78.A O no hydrogen 2.782 N/A PHE 47.A N GLY 26.A O no hydrogen 2.906 N/A VAL 48.A N VAL 80.A O no hydrogen 3.021 N/A ARG 50.A NH1 GLU 81.A OE2 no hydrogen 2.238 N/A LYS 51.A NZ VAL 79.A O no hydrogen 2.902 N/A LYS 55.A N HIS 53.A ND1 no hydrogen 2.980 N/A TRP 56.A N HIS 53.A O no hydrogen 3.082 N/A LEU 57.A N LYS 54.A O no hydrogen 3.022 N/A ASN 58.A N GLN 61.A OE1 no hydrogen 2.686 N/A ALA 60.A N ASN 58.A OD1 no hydrogen 2.424 N/A GLN 61.A N ASN 58.A O no hydrogen 2.811 N/A CYS 62.A N ASN 58.A O no hydrogen 3.080 N/A CYS 62.A SG LEU 63.A O no hydrogen 3.738 N/A LEU 67.A N CYS 75.A O no hydrogen 2.885 N/A GLY 69.A N VAL 73.A O no hydrogen 2.687 N/A GLY 72.A N GLY 69.A O no hydrogen 3.318 N/A TRP 74.A N GLN 2.A O no hydrogen 3.280 N/A CYS 75.A N LEU 67.A O no hydrogen 2.893 N/A CYS 75.A SG ASP 76.A O no hydrogen 3.394 N/A ASP 76.A N PRO 42.A O no hydrogen 3.161 N/A VAL 77.A N ALA 65.A O no hydrogen 2.802 N/A ASP 78.A N ILE 44.A O no hydrogen 2.882 N/A VAL 80.A N VAL 46.A O no hydrogen 2.919 N/A PHE 82.A N VAL 48.A O no hydrogen 2.847 N/A VAL 90.A N SER 87.A OG no hydrogen 3.102 N/A ASP 91.A N SER 87.A O no hydrogen 3.115 N/A LYS 92.A N GLU 88.A O no hydrogen 3.059 N/A LEU 93.A N LEU 89.A O no hydrogen 2.804 N/A CYS 94.A N VAL 90.A O no hydrogen 2.970 N/A CYS 94.A SG VAL 90.A O no hydrogen 3.322 N/A CYS 94.A SG GLN 105.A OE1 no hydrogen 3.554 N/A CYS 94.A SG ARG 241.A O no hydrogen 3.660 N/A GLY 95.A N LYS 92.A O no hydrogen 3.217 N/A SER 96.A N ASP 91.A O no hydrogen 3.273 N/A SER 96.A OG ASP 91.A O no hydrogen 2.671 N/A SER 96.A OG ASP 91.A OD2 no hydrogen 3.165 N/A ASP 97.A N LYS 92.A O no hydrogen 3.277 N/A GLU 98.A N ASP 97.A OD1 no hydrogen 2.755 N/A CYS 99.A SG ASP 97.A OD2 no hydrogen 3.902 N/A ILE 100.A N THR 205.A O no hydrogen 2.673 N/A GLY 101.A N SER 104.A OG no hydrogen 2.965 N/A SER 102.A OG GLY 116.A O no hydrogen 2.486 N/A GLY 103.A N LEU 115.A O no hydrogen 2.857 N/A SER 104.A N GLY 101.A O no hydrogen 2.897 N/A SER 104.A OG GLY 101.A O no hydrogen 2.877 N/A GLN 105.A N LEU 93.A O no hydrogen 2.880 N/A GLN 105.A NE2 PRO 149.A O no hydrogen 2.735 N/A VAL 106.A N GLY 113.A O no hydrogen 2.891 N/A ALA 107.A N PHE 147.A O no hydrogen 3.079 N/A SER 108.A N THR 111.A O no hydrogen 2.636 N/A SER 108.A OG THR 111.A OG1 no hydrogen 3.236 N/A SER 108.A OG ASN 144.A O no hydrogen 3.556 N/A GLU 110.A N SER 108.A OG no hydrogen 3.077 N/A THR 111.A N SER 108.A OG no hydrogen 3.010 N/A THR 111.A OG1 SER 108.A OG no hydrogen 3.236 N/A GLY 113.A N VAL 106.A O no hydrogen 2.729 N/A THR 114.A N SER 284.A O no hydrogen 2.948 N/A THR 114.A OG1 GLY 282.A O no hydrogen 2.940 N/A LEU 115.A N SER 104.A O no hydrogen 2.898 N/A GLY 116.A N LEU 131.A O no hydrogen 2.736 N/A ALA 117.A N LEU 131.A O no hydrogen 3.375 N/A VAL 119.A N GLY 129.A O no hydrogen 3.004 N/A LYS 120.A N ASP 337.A O no hydrogen 2.926 N/A LYS 120.A NZ ASP 337.A OD2 no hydrogen 3.381 N/A ARG 121.A N GLN 127.A O no hydrogen 2.867 N/A ARG 121.A NH1 LEU 334.A O no hydrogen 3.036 N/A ARG 121.A NH2 GLU 164.A OE2 no hydrogen 3.095 N/A ARG 122.A N GLU 335.A O no hydrogen 3.165 N/A ARG 122.A NE LEU 336.A O no hydrogen 2.910 N/A ARG 122.A NE ASP 337.A OD1 no hydrogen 3.026 N/A ARG 122.A NH1 ASP 332.A OD1 no hydrogen 3.047 N/A ARG 122.A NH2 ASP 332.A OD1 no hydrogen 2.936 N/A ARG 122.A NH2 LEU 336.A O no hydrogen 2.946 N/A THR 123.A OG1 GLU 335.A OE1 no hydrogen 3.142 N/A LYS 126.A N THR 123.A O no hydrogen 3.058 N/A VAL 128.A N GLN 352.A OE1 no hydrogen 2.904 N/A GLY 129.A N VAL 119.A O no hydrogen 2.861 N/A PHE 130.A N ILE 195.A O no hydrogen 2.911 N/A LEU 131.A N ALA 117.A O no hydrogen 2.861 N/A THR 132.A N ALA 193.A O no hydrogen 2.939 N/A THR 132.A OG1 THR 114.A O no hydrogen 2.778 N/A THR 132.A OG1 ASN 133.A OD1 no hydrogen 3.364 N/A ARG 134.A N ASP 191.A O no hydrogen 2.913 N/A ARG 134.A NE ASP 191.A OD2 no hydrogen 3.342 N/A ARG 134.A NE GLY 192.A O no hydrogen 3.135 N/A ARG 134.A NH1 GLU 164.A O no hydrogen 3.070 N/A VAL 136.A N GLY 307.A O no hydrogen 3.398 N/A LEU 140.A N VAL 138.A O no hydrogen 3.030 N/A ASP 141.A N ASP 139.A O no hydrogen 2.579 N/A ASN 144.A N ASP 141.A O no hydrogen 2.411 N/A ASN 144.A ND2 ASP 141.A O no hydrogen 2.582 N/A HIS 148.A N VAL 158.A O no hydrogen 3.021 N/A HIS 148.A ND1 GLN 105.A O no hydrogen 2.670 N/A LEU 154.A N PRO 151.A O no hydrogen 2.911 N/A GLY 155.A N PRO 151.A O no hydrogen 3.067 N/A VAL 158.A N HIS 148.A O no hydrogen 2.900 N/A VAL 163.A N GLN 145.A O no hydrogen 2.792 N/A GLU 164.A N PHE 194.A O no hydrogen 3.125 N/A THR 167.A OG1 SER 168.A OG no hydrogen 3.413 N/A SER 168.A OG THR 167.A OG1 no hydrogen 3.413 N/A THR 171.A OG1 ASP 172.A OD1 no hydrogen 3.294 N/A ASP 172.A N PHE 169.A O no hydrogen 3.364 N/A ASP 173.A N ILE 170.A O no hydrogen 3.331 N/A TYR 176.A N ASP 173.A OD2 no hydrogen 3.304 N/A GLY 177.A N ASP 173.A O no hydrogen 2.938 N/A ILE 178.A N VAL 174.A O no hydrogen 2.932 N/A ALA 180.A N TYR 176.A O no hydrogen 2.955 N/A GLY 181.A N GLY 177.A O no hydrogen 2.939 N/A GLY 181.A N ILE 178.A O no hydrogen 3.278 N/A THR 182.A N GLY 177.A O no hydrogen 3.165 N/A THR 182.A OG1 GLY 177.A O no hydrogen 3.428 N/A ASN 183.A N ILE 262.A O no hydrogen 2.824 N/A ASN 183.A ND2 ASP 258.A OD2 no hydrogen 3.044 N/A GLU 185.A N ASN 183.A OD1 no hydrogen 3.103 N/A THR 186.A N ASN 183.A O no hydrogen 3.323 N/A THR 186.A OG1 ASP 258.A OD2 no hydrogen 2.916 N/A PHE 187.A N ASN 183.A O no hydrogen 2.878 N/A VAL 188.A N CYS 263.A O no hydrogen 2.796 N/A ARG 189.A NH1 ASP 267.A OD2 no hydrogen 2.974 N/A ARG 189.A NH2 ASP 267.A OD2 no hydrogen 3.215 N/A ALA 190.A N PHE 265.A O no hydrogen 2.909 N/A ALA 193.A N THR 132.A O no hydrogen 2.551 N/A ILE 195.A N PHE 130.A O no hydrogen 2.873 N/A PHE 197.A N VAL 128.A O no hydrogen 3.062 N/A ALA 198.A N LEU 160.A O no hydrogen 2.856 N/A PHE 201.A N ALA 198.A O no hydrogen 3.181 N/A SER 204.A N ASP 202.A OD1 no hydrogen 2.993 N/A SER 204.A OG ASP 202.A OD1 no hydrogen 2.395 N/A THR 205.A N ASP 202.A O no hydrogen 3.163 N/A THR 205.A OG1 ASP 202.A O no hydrogen 2.694 N/A VAL 206.A N ILE 203.A O no hydrogen 3.013 N/A THR 207.A N ILE 100.A O no hydrogen 2.822 N/A THR 207.A OG1 ASN 342.A OD1 no hydrogen 3.469 N/A THR 208.A N ASN 342.A OD1 no hydrogen 2.536 N/A THR 208.A OG1 ASN 342.A OD1 no hydrogen 2.749 N/A VAL 209.A N THR 207.A OG1 no hydrogen 3.145 N/A VAL 210.A N GLY 214.A O no hydrogen 3.123 N/A ARG 211.A NH1 ASP 97.A OD2 no hydrogen 2.767 N/A ARG 211.A NH2 SER 102.A O no hydrogen 3.286 N/A ARG 211.A NH2 SER 104.A OG no hydrogen 2.704 N/A VAL 213.A N VAL 210.A O no hydrogen 3.120 N/A GLY 214.A N VAL 210.A O no hydrogen 2.652 N/A GLY 217.A N PRO 298.A O no hydrogen 2.774 N/A VAL 219.A N ASP 218.A OD1 no hydrogen 2.586 N/A LYS 220.A N PRO 300.A O no hydrogen 2.923 N/A CYS 226.A SG ASP 223.A O no hydrogen 3.349 N/A CYS 226.A SG PRO 227.A O no hydrogen 3.663 N/A SER 230.A N PRO 227.A O no hydrogen 3.309 N/A SER 230.A OG PRO 227.A O no hydrogen 3.562 N/A LEU 231.A N LEU 228.A O no hydrogen 2.940 N/A ILE 232.A N LEU 228.A O no hydrogen 2.829 N/A GLY 233.A N VAL 250.A O no hydrogen 2.885 N/A ARG 234.A N LEU 231.A O no hydrogen 3.087 N/A ARG 234.A NH1 SER 230.A O no hydrogen 2.952 N/A GLN 235.A NE2 GLU 273.A OE2 no hydrogen 2.670 N/A VAL 236.A N GLY 248.A O no hydrogen 2.851 N/A CYS 237.A N ILE 289.A O no hydrogen 2.871 N/A CYS 237.A SG ILE 289.A O no hydrogen 3.905 N/A LYS 238.A N THR 246.A O no hydrogen 3.022 N/A LYS 238.A NZ LYS 238.A O no hydrogen 3.271 N/A LYS 238.A NZ SER 243.A OG no hydrogen 2.717 N/A LYS 238.A NZ GLY 244.A O no hydrogen 2.642 N/A LYS 238.A NZ THR 246.A OG1 no hydrogen 2.798 N/A GLY 240.A N GLY 244.A O no hydrogen 3.070 N/A ARG 241.A N THR 114.A OG1 no hydrogen 3.089 N/A ARG 241.A NE GLN 105.A OE1 no hydrogen 2.416 N/A SER 242.A N ASP 283.A OD1 no hydrogen 2.778 N/A SER 242.A OG GLU 281.A O no hydrogen 2.531 N/A SER 243.A N ASP 283.A OD1 no hydrogen 3.139 N/A SER 243.A OG ASP 283.A OD2 no hydrogen 2.442 N/A GLY 244.A N GLY 240.A O no hydrogen 2.926 N/A THR 246.A N LYS 238.A O no hydrogen 3.117 N/A THR 246.A OG1 PHE 278.A O no hydrogen 2.696 N/A THR 247.A OG1 GLU 273.A OE1 no hydrogen 2.833 N/A GLY 248.A N VAL 236.A O no hydrogen 2.643 N/A THR 249.A N VAL 271.A O no hydrogen 3.000 N/A VAL 250.A N ARG 234.A O no hydrogen 3.083 N/A TYR 252.A N VAL 29.A O no hydrogen 2.847 N/A TYR 252.A OH ASP 326.A OD2 no hydrogen 3.403 N/A ALA 253.A N ASP 267.A O no hydrogen 2.707 N/A LEU 254.A N THR 266.A O no hydrogen 2.796 N/A GLU 255.A N THR 27.A O no hydrogen 2.881 N/A TYR 256.A N PHE 264.A O no hydrogen 2.757 N/A ASN 257.A N LEU 25.A O no hydrogen 2.666 N/A ASN 257.A ND2 SER 24.A O no hydrogen 3.124 N/A ASP 258.A N GLY 261.A O no hydrogen 2.754 N/A GLU 259.A N GLU 259.A OE1 no hydrogen 2.567 N/A LYS 260.A N ASP 258.A OD1 no hydrogen 2.884 N/A LYS 260.A NZ GLU 185.A OE2 no hydrogen 3.332 N/A GLY 261.A N ASP 258.A OD1 no hydrogen 2.760 N/A ILE 262.A N GLY 181.A O no hydrogen 2.956 N/A CYS 263.A N TYR 256.A O no hydrogen 2.833 N/A CYS 263.A SG TYR 256.A O no hydrogen 3.703 N/A CYS 263.A SG ASN 257.A O no hydrogen 3.682 N/A PHE 264.A N TYR 256.A O no hydrogen 3.424 N/A PHE 265.A N VAL 188.A O no hydrogen 3.041 N/A THR 266.A N LEU 254.A O no hydrogen 3.086 N/A THR 266.A OG1 GLY 324.A O no hydrogen 2.882 N/A ILE 268.A N GLY 324.A O no hydrogen 2.935 N/A LEU 269.A N ALA 251.A O no hydrogen 3.102 N/A VAL 270.A N THR 322.A O no hydrogen 2.923 N/A VAL 271.A N THR 249.A O no hydrogen 3.089 N/A GLU 273.A N THR 247.A O no hydrogen 3.016 N/A GLN 276.A N GLU 273.A O no hydrogen 3.071 N/A THR 277.A OG1 ASP 279.A O no hydrogen 2.769 N/A LEU 280.A N ASP 283.A OD2 no hydrogen 2.833 N/A ASP 283.A N LEU 280.A O no hydrogen 2.930 N/A SER 284.A OG ASN 133.A OD1 no hydrogen 3.307 N/A GLY 285.A N ILE 304.A O no hydrogen 2.631 N/A SER 286.A N ASP 283.A O no hydrogen 2.936 N/A SER 286.A OG VAL 239.A O no hydrogen 3.237 N/A SER 286.A OG ASP 283.A O no hydrogen 2.482 N/A ILE 288.A N GLY 302.A O no hydrogen 2.833 N/A ILE 289.A N CYS 237.A O no hydrogen 2.994 N/A LEU 290.A N ARG 299.A O no hydrogen 2.784 N/A THR 291.A N GLN 235.A O no hydrogen 3.186 N/A THR 291.A OG1 GLN 235.A O no hydrogen 3.199 N/A THR 291.A OG1 GLN 235.A OE1 no hydrogen 2.762 N/A SER 292.A OG GLU 296.A O no hydrogen 2.475 N/A GLN 293.A NE2 GLN 235.A OE1 no hydrogen 3.203 N/A GLU 296.A N GLU 296.A OE1 no hydrogen 2.607 N/A ARG 299.A N LEU 290.A O no hydrogen 3.372 N/A ARG 299.A NE ASP 218.A O no hydrogen 2.923 N/A ARG 299.A NH2 VAL 219.A O no hydrogen 2.682 N/A ILE 301.A N ILE 288.A O no hydrogen 2.786 N/A GLY 302.A N ILE 288.A O no hydrogen 3.312 N/A ILE 303.A N VAL 325.A O no hydrogen 2.918 N/A ILE 304.A N SER 286.A O no hydrogen 2.987 N/A TRP 305.A N SER 323.A O no hydrogen 2.888 N/A ARG 309.A N SER 83.A OG no hydrogen 2.752 N/A LYS 311.A N GLU 81.A O no hydrogen 3.094 N/A GLU 319.A N LEU 310.A O no hydrogen 3.378 N/A THR 322.A N VAL 270.A O no hydrogen 2.682 N/A THR 322.A OG1 ASP 279.A OD1 no hydrogen 2.701 N/A GLY 324.A N ILE 268.A O no hydrogen 2.804 N/A VAL 325.A N ILE 303.A O no hydrogen 2.628 N/A ASP 326.A N ASP 267.A OD2 no hydrogen 2.721 N/A LEU 327.A N ILE 301.A O no hydrogen 2.796 N/A ARG 329.A N ASP 326.A OD1 no hydrogen 2.943 N/A ARG 329.A NH1 ILE 222.A O no hydrogen 2.989 N/A ARG 329.A NH1 ASP 326.A OD2 no hydrogen 2.811 N/A ARG 329.A NH2 ILE 222.A O no hydrogen 3.521 N/A LEU 330.A N ASP 326.A O no hydrogen 2.920 N/A LEU 331.A N LEU 327.A O no hydrogen 2.776 N/A ASP 332.A N GLY 328.A O no hydrogen 3.152 N/A ARG 333.A N ARG 329.A O no hydrogen 2.868 N/A ARG 333.A NH2 ASP 191.A OD1 no hydrogen 2.551 N/A LEU 334.A N LEU 330.A O no hydrogen 2.957 N/A GLU 335.A N ASP 332.A O no hydrogen 3.239 N/A LEU 336.A N LEU 331.A O no hydrogen 2.855 N/A ASP 337.A N LYS 120.A O no hydrogen 2.893 N/A ILE 339.A N ILE 118.A O no hydrogen 2.780 N/A ASN 342.A ND2 THR 207.A OG1 no hydrogen 3.169 N/A SER 344.A N THR 341.A OG1 no hydrogen 2.873 N/A LEU 345.A N THR 341.A O no hydrogen 3.111 N/A ASP 347.A N GLU 343.A O no hydrogen 3.212 N/A ALA 348.A N SER 344.A O no hydrogen 3.031 N/A VAL 349.A N LEU 345.A O no hydrogen 2.794 N/A GLN 350.A N GLN 346.A O no hydrogen 3.046 N/A GLN 351.A N ALA 348.A O no hydrogen 3.120 N/A GLN 352.A N VAL 349.A O no hydrogen 3.331 N/A GLN 352.A NE2 VAL 349.A O no hydrogen 3.346 N/A ARG 353.A N ASN 125.A O no hydrogen 3.020 N/A