Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pme_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 9.A NE ASP 26.A OD1 no hydrogen 2.979 N/A ARG 9.A NH2 ASP 26.A OD1 no hydrogen 3.510 N/A ARG 9.A NH2 ASP 26.A OD2 no hydrogen 3.237 N/A TYR 10.A OH ASP 70.A OD2 no hydrogen 2.908 N/A THR 11.A N TYR 25.A O no hydrogen 3.099 N/A SER 14.A N SER 23.A O no hydrogen 3.126 N/A TYR 15.A OH GLY 17.A O no hydrogen 3.151 N/A ILE 16.A N VAL 21.A O no hydrogen 3.052 N/A GLY 17.A N VAL 21.A O no hydrogen 3.197 N/A CYS 22.A N ILE 35.A O no hydrogen 2.822 N/A SER 23.A N SER 14.A O no hydrogen 2.802 N/A SER 23.A OG VAL 33.A O no hydrogen 3.411 N/A ALA 24.A N VAL 33.A O no hydrogen 2.792 N/A TYR 25.A N THR 11.A O no hydrogen 2.779 N/A ASP 26.A N VAL 31.A O no hydrogen 2.812 N/A ASN 27.A N ARG 9.A O no hydrogen 2.859 N/A ASN 27.A ND2 PRO 8.A O no hydrogen 3.308 N/A ASN 27.A ND2 ARG 9.A O no hydrogen 2.768 N/A ASN 27.A ND2 THR 11.A OG1 no hydrogen 3.069 N/A VAL 28.A N ASP 26.A OD1 no hydrogen 2.914 N/A ASN 29.A N ASP 26.A OD1 no hydrogen 3.151 N/A LYS 30.A NZ ASN 27.A O no hydrogen 3.127 N/A ARG 32.A NH1 ASN 12.A O no hydrogen 2.764 N/A ARG 32.A NH2 ASN 12.A O no hydrogen 2.882 N/A VAL 33.A N ALA 24.A O no hydrogen 2.737 N/A ALA 34.A N THR 87.A O no hydrogen 2.860 N/A ILE 35.A N CYS 22.A O no hydrogen 2.771 N/A LYS 36.A N LEU 85.A O no hydrogen 2.862 N/A LYS 36.A NZ GLU 53.A OE1 no hydrogen 2.729 N/A LYS 37.A N MET 20.A O no hydrogen 2.717 N/A LYS 37.A NZ VAL 3.A O no hydrogen 2.720 N/A ILE 38.A N VAL 83.A O no hydrogen 2.826 N/A SER 39.A N TYR 18.A O no hydrogen 2.952 N/A SER 39.A OG ASP 82.A OD1 no hydrogen 2.997 N/A HIS 43.A N PRO 40.A O no hydrogen 3.203 N/A GLN 44.A NE2 GLN 48.A OE1 no hydrogen 3.370 N/A CYS 47.A N HIS 43.A O no hydrogen 2.957 N/A CYS 47.A SG PRO 40.A O no hydrogen 3.315 N/A CYS 47.A SG HIS 43.A O no hydrogen 3.420 N/A GLN 48.A N GLN 44.A O no hydrogen 2.890 N/A ARG 49.A N THR 45.A O no hydrogen 3.103 N/A ARG 49.A NH1 GLY 150.A O no hydrogen 3.394 N/A THR 50.A N TYR 46.A O no hydrogen 3.071 N/A THR 50.A OG1 TYR 46.A O no hydrogen 2.957 N/A LEU 51.A N CYS 47.A O no hydrogen 2.927 N/A ARG 52.A N GLN 48.A O no hydrogen 3.066 N/A GLU 53.A N ARG 49.A O no hydrogen 2.947 N/A ILE 54.A N THR 50.A O no hydrogen 2.986 N/A LYS 55.A N LEU 51.A O no hydrogen 2.801 N/A ILE 56.A N ARG 52.A O no hydrogen 3.055 N/A LEU 57.A N GLU 53.A O no hydrogen 2.876 N/A LEU 58.A N ILE 54.A O no hydrogen 3.085 N/A ARG 59.A N LYS 55.A O no hydrogen 3.341 N/A ARG 59.A N ILE 56.A O no hydrogen 3.306 N/A ARG 59.A NE ALA 308.A O no hydrogen 3.359 N/A ARG 59.A NH2 PRO 309.A O no hydrogen 2.866 N/A PHE 60.A N ILE 56.A O no hydrogen 3.007 N/A ARG 61.A N TYR 121.A OH no hydrogen 2.999 N/A ASN 64.A ND2 LEU 144.A O no hydrogen 3.165 N/A ILE 65.A N HIS 62.A O no hydrogen 3.191 N/A ILE 66.A N ILE 146.A O no hydrogen 3.069 N/A ASN 69.A N VAL 86.A O no hydrogen 2.866 N/A ILE 72.A N TYR 84.A O no hydrogen 2.808 N/A ARG 73.A NE ALA 74.A O no hydrogen 2.943 N/A ARG 73.A NH1 THR 324.A OG1 no hydrogen 3.256 N/A ARG 73.A NH2 ALA 74.A O no hydrogen 3.054 N/A GLU 78.A N GLU 78.A OE1 no hydrogen 2.783 N/A GLN 79.A N THR 76.A OG1 no hydrogen 3.266 N/A GLN 79.A NE2 THR 76.A OG1 no hydrogen 2.892 N/A MET 80.A N THR 76.A O no hydrogen 3.044 N/A MET 80.A N ILE 77.A O no hydrogen 3.323 N/A VAL 83.A N ILE 38.A O no hydrogen 2.938 N/A TYR 84.A N ILE 72.A O no hydrogen 2.748 N/A LEU 85.A N LYS 36.A O no hydrogen 2.932 N/A VAL 86.A N ASP 70.A O no hydrogen 2.815 N/A THR 87.A N ALA 34.A O no hydrogen 2.997 N/A THR 87.A OG1 GLY 67.A O no hydrogen 2.623 N/A ALA 92.A N LEU 139.A O no hydrogen 2.959 N/A LEU 94.A N LEU 137.A O no hydrogen 2.942 N/A TYR 95.A N PRO 134.A O no hydrogen 3.323 N/A LYS 96.A N ASP 93.A OD1 no hydrogen 2.893 N/A LYS 96.A NZ ASP 93.A OD2 no hydrogen 2.636 N/A LEU 97.A N ASP 93.A O no hydrogen 3.127 N/A LEU 98.A N LEU 94.A O no hydrogen 2.866 N/A LYS 99.A N LYS 96.A O no hydrogen 3.351 N/A THR 100.A N LEU 97.A O no hydrogen 3.349 N/A GLN 101.A N LEU 97.A O no hydrogen 2.805 N/A GLN 101.A NE2 THR 100.A OG1 no hydrogen 2.874 N/A SER 104.A OG HIS 107.A ND1 no hydrogen 3.224 N/A HIS 107.A N SER 104.A OG no hydrogen 3.206 N/A HIS 107.A ND1 SER 104.A OG no hydrogen 3.224 N/A ILE 108.A N SER 104.A O no hydrogen 3.022 N/A CYS 109.A N ASN 105.A O no hydrogen 2.911 N/A CYS 109.A SG TYR 293.A O no hydrogen 3.274 N/A TYR 110.A N ASP 106.A O no hydrogen 3.012 N/A PHE 111.A N HIS 107.A O no hydrogen 2.849 N/A LEU 112.A N ILE 108.A O no hydrogen 2.948 N/A TYR 113.A N CYS 109.A O no hydrogen 3.078 N/A TYR 113.A OH GLU 303.A OE2 no hydrogen 2.875 N/A GLN 114.A N TYR 110.A O no hydrogen 3.076 N/A GLN 114.A NE2 TYR 110.A O no hydrogen 3.439 N/A ILE 115.A N PHE 111.A O no hydrogen 2.951 N/A LEU 116.A N LEU 112.A O no hydrogen 2.953 N/A ARG 117.A N TYR 113.A O no hydrogen 2.795 N/A ARG 117.A NE ASP 302.A O no hydrogen 2.839 N/A ARG 117.A NH1 GLU 63.A OE1 no hydrogen 2.955 N/A ARG 117.A NH1 ASN 64.A OD1 no hydrogen 3.018 N/A ARG 117.A NH2 GLU 63.A OE1 no hydrogen 3.232 N/A ARG 117.A NH2 ASP 302.A O no hydrogen 2.882 N/A GLY 118.A N GLN 114.A O no hydrogen 3.043 N/A LEU 119.A N ILE 115.A O no hydrogen 2.798 N/A LYS 120.A N LEU 116.A O no hydrogen 2.876 N/A LYS 120.A NZ GLU 303.A O no hydrogen 2.664 N/A ILE 122.A N GLY 118.A O no hydrogen 3.133 N/A HIS 123.A N LEU 119.A O no hydrogen 2.927 N/A HIS 123.A NE2 ASP 191.A OD2 no hydrogen 2.924 N/A SER 124.A N LYS 120.A O no hydrogen 3.017 N/A SER 124.A OG LYS 120.A O no hydrogen 3.345 N/A SER 124.A OG TYR 121.A O no hydrogen 2.662 N/A ALA 125.A N TYR 121.A O no hydrogen 3.206 N/A ALA 125.A N ILE 122.A O no hydrogen 3.233 N/A ASN 126.A N HIS 123.A O no hydrogen 2.921 N/A VAL 127.A N ILE 122.A O no hydrogen 3.157 N/A LEU 128.A N ARG 153.A O no hydrogen 2.838 N/A HIS 129.A N ASP 191.A OD2 no hydrogen 3.050 N/A HIS 129.A NE2 CYS 147.A O no hydrogen 2.830 N/A ARG 130.A N ASP 191.A OD1 no hydrogen 2.836 N/A ARG 130.A NE LEU 151.A O no hydrogen 3.208 N/A ARG 130.A NH1 LYS 184.A O no hydrogen 3.181 N/A ASP 131.A N HIS 129.A ND1 no hydrogen 3.144 N/A LYS 133.A NZ THR 171.A OG1 no hydrogen 2.904 N/A ASN 136.A N LYS 133.A O no hydrogen 2.971 N/A ASN 136.A ND2 ASP 148.A OD2 no hydrogen 3.365 N/A LEU 137.A N PRO 134.A O no hydrogen 3.199 N/A LEU 138.A N LYS 145.A O no hydrogen 2.914 N/A LEU 139.A N ALA 92.A O no hydrogen 2.925 N/A ASN 140.A N ASP 143.A O no hydrogen 3.357 N/A ASN 140.A ND2 ASP 143.A OD2 no hydrogen 3.134 N/A THR 142.A N ASN 140.A OD1 no hydrogen 3.173 N/A THR 142.A OG1 ASN 140.A OD1 no hydrogen 3.096 N/A THR 142.A OG1 ASP 143.A OD2 no hydrogen 3.203 N/A LEU 144.A N GLN 114.A OE1 no hydrogen 2.864 N/A LYS 145.A N LEU 138.A O no hydrogen 2.948 N/A ILE 146.A N ASN 64.A O no hydrogen 2.816 N/A CYS 147.A N ASN 136.A O no hydrogen 3.055 N/A CYS 147.A SG ASN 136.A O no hydrogen 3.660 N/A PHE 149.A N GLU 53.A OE2 no hydrogen 2.863 N/A ALA 152.A N PHE 149.A O no hydrogen 3.349 N/A ARG 153.A N LEU 128.A O no hydrogen 3.100 N/A ALA 155.A N ASN 126.A O no hydrogen 2.828 N/A ASP 156.A N TYR 186.A O no hydrogen 2.971 N/A HIS 159.A N ASP 156.A O no hydrogen 3.168 N/A ASP 160.A N PRO 157.A O no hydrogen 3.353 N/A THR 162.A N ASN 182.A O no hydrogen 3.218 N/A THR 162.A OG1 THR 166.A OG1 no hydrogen 2.995 N/A LEU 165.A N MET 180.A O no hydrogen 3.385 N/A THR 166.A OG1 THR 162.A OG1 no hydrogen 2.995 N/A THR 166.A OG1 GLY 163.A O no hydrogen 2.898 N/A THR 171.A N ASP 131.A OD1 no hydrogen 3.054 N/A THR 171.A OG1 ASP 131.A OD1 no hydrogen 2.955 N/A ARG 172.A NE GLY 211.A O no hydrogen 2.929 N/A ARG 172.A NH2 GLY 211.A O no hydrogen 3.472 N/A TRP 173.A NE1 GLY 211.A O no hydrogen 2.813 N/A TYR 174.A N THR 171.A O no hydrogen 3.135 N/A TYR 174.A OH GLU 201.A OE1 no hydrogen 2.787 N/A TYR 174.A OH GLU 201.A OE2 no hydrogen 3.421 N/A ARG 175.A N ARG 172.A O no hydrogen 3.053 N/A ARG 175.A NE ALA 170.A O no hydrogen 2.865 N/A ARG 175.A NH2 ALA 170.A O no hydrogen 2.969 N/A GLU 178.A N GLU 178.A OE1 no hydrogen 2.842 N/A ILE 179.A N ALA 176.A O no hydrogen 3.215 N/A MET 180.A N PRO 177.A O no hydrogen 3.212 N/A LEU 181.A N GLU 178.A O no hydrogen 3.334 N/A ASN 182.A N GLU 178.A O no hydrogen 2.866 N/A ASN 182.A ND2 GLU 178.A O no hydrogen 3.518 N/A SER 183.A OG ASP 160.A OD1 no hydrogen 3.196 N/A SER 183.A OG ASP 160.A OD2 no hydrogen 2.732 N/A LYS 184.A N ASP 160.A O no hydrogen 2.797 N/A LYS 184.A NZ HIS 159.A O no hydrogen 3.020 N/A GLY 185.A N SER 183.A OG no hydrogen 3.188 N/A TYR 186.A N ASP 160.A OD1 no hydrogen 2.812 N/A LYS 188.A NZ HIS 123.A O no hydrogen 2.814 N/A ILE 190.A N THR 187.A O no hydrogen 3.193 N/A ASP 191.A N LYS 188.A O no hydrogen 3.076 N/A TRP 193.A N SER 189.A O no hydrogen 3.262 N/A SER 194.A N ILE 190.A O no hydrogen 3.465 N/A SER 194.A OG TYR 174.A O no hydrogen 2.814 N/A SER 194.A OG ILE 190.A O no hydrogen 3.308 N/A VAL 195.A N ASP 191.A O no hydrogen 2.973 N/A GLY 196.A N ILE 192.A O no hydrogen 2.965 N/A CYS 197.A N TRP 193.A O no hydrogen 2.919 N/A CYS 197.A SG TRP 173.A O no hydrogen 3.901 N/A CYS 197.A SG TRP 193.A O no hydrogen 3.530 N/A ILE 198.A N SER 194.A O no hydrogen 2.949 N/A LEU 199.A N VAL 195.A O no hydrogen 2.961 N/A ALA 200.A N GLY 196.A O no hydrogen 3.060 N/A GLU 201.A N CYS 197.A O no hydrogen 2.943 N/A MET 202.A N ILE 198.A O no hydrogen 2.860 N/A LEU 203.A N LEU 199.A O no hydrogen 3.004 N/A LEU 203.A N ALA 200.A O no hydrogen 3.201 N/A SER 204.A OG ALA 200.A O no hydrogen 3.369 N/A SER 204.A OG ARG 206.A O no hydrogen 3.560 N/A ASN 205.A N GLU 201.A O no hydrogen 2.728 N/A ASN 205.A ND2 LEU 98.A O no hydrogen 3.120 N/A ASN 205.A ND2 GLN 101.A O no hydrogen 2.661 N/A GLY 211.A N PHE 209.A O no hydrogen 3.072 N/A GLY 211.A N GLN 217.A OE1 no hydrogen 3.023 N/A LYS 212.A N ASP 216.A OD2 no hydrogen 2.905 N/A TYR 214.A OH THR 166.A O no hydrogen 2.572 N/A GLN 217.A N HIS 213.A O no hydrogen 3.254 N/A GLN 217.A NE2 PHE 209.A O no hydrogen 2.862 N/A LEU 218.A N LEU 215.A O no hydrogen 3.113 N/A ASN 219.A N LEU 215.A O no hydrogen 3.291 N/A HIS 220.A N ASP 216.A O no hydrogen 2.973 N/A HIS 220.A ND1 ASP 216.A O no hydrogen 2.970 N/A ILE 221.A N GLN 217.A O no hydrogen 3.113 N/A LEU 222.A N LEU 218.A O no hydrogen 2.895 N/A GLY 223.A N HIS 220.A O no hydrogen 3.128 N/A ILE 224.A N ILE 221.A O no hydrogen 3.288 N/A LEU 225.A N ILE 221.A O no hydrogen 2.977 N/A GLY 226.A N LEU 222.A O no hydrogen 2.841 N/A SER 227.A N LYS 251.A O no hydrogen 2.880 N/A SER 227.A OG LYS 251.A O no hydrogen 3.401 N/A ASP 232.A N SER 229.A OG no hydrogen 3.237 N/A LEU 233.A N SER 229.A O no hydrogen 2.957 N/A ASN 234.A N GLN 230.A O no hydrogen 2.837 N/A CYS 235.A SG GLU 231.A O no hydrogen 3.651 N/A ILE 236.A N LEU 233.A O no hydrogen 3.042 N/A ALA 241.A N ASN 238.A OD1 no hydrogen 3.159 N/A ARG 242.A N ASN 238.A O no hydrogen 2.989 N/A ARG 242.A NE LEU 233.A O no hydrogen 2.924 N/A ARG 242.A NE ILE 236.A O no hydrogen 2.905 N/A ARG 242.A NH2 ASN 234.A O no hydrogen 3.085 N/A ARG 242.A NH2 ILE 236.A O no hydrogen 3.352 N/A ASN 243.A N LEU 239.A O no hydrogen 2.827 N/A TYR 244.A N LYS 240.A O no hydrogen 3.181 N/A LEU 245.A N ALA 241.A O no hydrogen 3.331 N/A LEU 246.A N ARG 242.A O no hydrogen 3.002 N/A SER 247.A N ASN 243.A O no hydrogen 2.968 N/A SER 247.A N TYR 244.A O no hydrogen 3.247 N/A SER 247.A OG ASN 243.A O no hydrogen 3.503 N/A SER 247.A OG TYR 244.A O no hydrogen 2.606 N/A LEU 248.A N LEU 245.A O no hydrogen 3.204 N/A LYS 251.A N SER 227.A OG no hydrogen 2.843 N/A LYS 253.A NZ VAL 254.A O no hydrogen 2.925 N/A VAL 254.A N ILE 224.A O no hydrogen 2.835 N/A TRP 256.A NE1 ASP 272.A OD1 no hydrogen 2.861 N/A ARG 258.A N PRO 255.A O no hydrogen 3.017 N/A LEU 259.A N PRO 255.A O no hydrogen 3.048 N/A PHE 260.A N TRP 256.A O no hydrogen 2.843 N/A ALA 263.A N PHE 260.A O no hydrogen 3.451 N/A LYS 266.A N ASP 264.A OD1 no hydrogen 2.894 N/A LYS 266.A NZ GLU 295.A OE2 no hydrogen 3.027 N/A LEU 268.A N ASP 264.A O no hydrogen 3.135 N/A ASP 269.A N SER 265.A O no hydrogen 3.035 N/A LEU 270.A N LYS 266.A O no hydrogen 3.119 N/A LEU 271.A N ALA 267.A O no hydrogen 2.836 N/A ASP 272.A N LEU 268.A O no hydrogen 3.032 N/A LYS 273.A N ASP 269.A O no hydrogen 3.260 N/A LYS 273.A NZ ASP 269.A OD2 no hydrogen 2.969 N/A MET 274.A N LEU 270.A O no hydrogen 2.999 N/A MET 274.A N LEU 271.A O no hydrogen 3.273 N/A LEU 275.A N LEU 271.A O no hydrogen 2.851 N/A THR 276.A OG1 ASP 272.A O no hydrogen 2.957 N/A THR 276.A OG1 LYS 273.A O no hydrogen 3.184 N/A ASN 278.A ND2 ASP 232.A OD1 no hydrogen 3.001 N/A HIS 280.A N ASN 278.A OD1 no hydrogen 3.119 N/A HIS 280.A ND1 ASN 278.A OD1 no hydrogen 2.835 N/A LYS 281.A N ASN 278.A O no hydrogen 3.111 N/A LYS 281.A NZ ASP 232.A OD1 no hydrogen 2.902 N/A ARG 282.A NE THR 276.A O no hydrogen 2.959 N/A ARG 282.A NH1 GLU 178.A OE2 no hydrogen 2.841 N/A ARG 282.A NH1 SER 189.A O no hydrogen 2.885 N/A ARG 282.A NH2 GLU 178.A OE1 no hydrogen 2.870 N/A ARG 282.A NH2 THR 276.A O no hydrogen 3.006 N/A ARG 282.A NH2 PHE 277.A O no hydrogen 3.118 N/A ILE 283.A N LYS 273.A O no hydrogen 3.121 N/A GLU 284.A N GLN 287.A OE1 no hydrogen 2.809 N/A ALA 288.A N GLU 284.A O no hydrogen 2.890 N/A LEU 289.A N VAL 285.A O no hydrogen 3.066 N/A ALA 290.A N GLU 286.A O no hydrogen 3.199 N/A HIS 291.A N ALA 288.A O no hydrogen 3.239 N/A HIS 291.A NE2 ASP 269.A OD2 no hydrogen 2.855 N/A TYR 293.A N HIS 291.A ND1 no hydrogen 3.141 N/A LEU 294.A N HIS 291.A O no hydrogen 2.898 N/A GLU 295.A N PRO 292.A O no hydrogen 3.362 N/A TYR 297.A N LEU 294.A O no hydrogen 2.905 N/A TYR 298.A N LEU 294.A O no hydrogen 2.891 N/A ASP 299.A N GLU 303.A OE2 no hydrogen 2.939 N/A SER 301.A OG ASP 299.A OD1 no hydrogen 2.805 N/A ASP 302.A N ASP 299.A O no hydrogen 2.860 N/A GLU 303.A N PRO 300.A O no hydrogen 3.304 N/A ALA 306.A N SER 124.A OG no hydrogen 2.930 N/A PHE 310.A N ALA 125.A O no hydrogen 2.913 N/A LYS 313.A NZ GLU 314.A OE2 no hydrogen 2.916 N/A LEU 316.A N PRO 312.A O no hydrogen 3.119 N/A LYS 317.A N LYS 313.A O no hydrogen 2.843 N/A LYS 317.A NZ ILE 77.A O no hydrogen 2.867 N/A LYS 317.A NZ MET 80.A O no hydrogen 2.914 N/A GLU 318.A N GLU 314.A O no hydrogen 3.080 N/A LEU 319.A N LYS 315.A O no hydrogen 2.992 N/A ILE 320.A N LEU 316.A O no hydrogen 2.888 N/A PHE 321.A N LYS 317.A O no hydrogen 3.011 N/A GLU 322.A N GLU 318.A O no hydrogen 2.988 N/A GLU 323.A N LEU 319.A O no hydrogen 2.853 N/A THR 324.A N ILE 320.A O no hydrogen 3.020 N/A THR 324.A OG1 ILE 320.A O no hydrogen 2.817 N/A THR 324.A OG1 PHE 321.A O no hydrogen 3.113 N/A ARG 326.A NH1 GLU 323.A O no hydrogen 3.214 N/A ARG 326.A NH1 GLU 323.A OE2 no hydrogen 3.317 N/A PHE 327.A N THR 324.A O no hydrogen 3.404 N/A GLN 328.A N ALA 325.A O no hydrogen 3.292 N/A SER 333.A N PRO 329.A O no hydrogen 2.890 N/A SER 333.A OG PRO 329.A O no hydrogen 3.233 N/A SER 333.A OG GLY 330.A O no hydrogen 2.892 N/A