Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8umw_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 3.A N GLU 230.A OE1 no hydrogen 2.801 N/A ASP 5.A N LEU 2.A O no hydrogen 3.312 N/A LYS 6.A N LEU 2.A O no hydrogen 2.963 N/A LYS 6.A NZ GLU 202.A OE2 no hydrogen 3.512 N/A TYR 7.A OH GLU 202.A OE1 no hydrogen 2.805 N/A CYS 10.A SG GLU 64.A OE2 no hydrogen 3.903 N/A ARG 14.A N SER 11.A O no hydrogen 3.295 N/A TYR 17.A OH ALA 45.A O no hydrogen 2.406 N/A HIS 18.A NE2 PRO 184.A O no hydrogen 2.807 N/A LYS 19.A NZ LEU 15.A O no hydrogen 2.475 N/A GLU 20.A N GLU 20.A OE1 no hydrogen 2.943 N/A ALA 22.A N HIS 18.A O no hydrogen 3.007 N/A ALA 23.A N LYS 19.A O no hydrogen 2.938 N/A GLN 24.A N GLU 20.A O no hydrogen 2.945 N/A LEU 25.A N GLN 21.A O no hydrogen 2.843 N/A ARG 26.A N ALA 22.A O no hydrogen 2.929 N/A ASN 27.A N ALA 23.A O no hydrogen 2.945 N/A LEU 28.A N GLN 24.A O no hydrogen 2.899 N/A VAL 29.A N LEU 25.A O no hydrogen 3.372 N/A HIS 36.A NE2 MET 151.A O no hydrogen 2.618 N/A LEU 37.A N LEU 160.A O no hydrogen 3.076 N/A LEU 38.A N LEU 179.A O no hydrogen 2.878 N/A VAL 39.A N LEU 162.A O no hydrogen 2.881 N/A TYR 40.A N VAL 181.A O no hydrogen 2.946 N/A ALA 45.A N PRO 42.A O no hydrogen 3.314 N/A LYS 47.A NZ GLY 41.A O no hydrogen 3.390 N/A LYS 47.A NZ PRO 42.A O no hydrogen 2.907 N/A LYS 48.A NZ GLU 93.A OE1 no hydrogen 3.316 N/A ARG 50.A N GLY 46.A O no hydrogen 3.196 N/A ARG 50.A NH1 GLY 46.A O no hydrogen 2.887 N/A ARG 50.A NH2 TYR 17.A O no hydrogen 2.960 N/A ILE 51.A N LYS 47.A O no hydrogen 2.922 N/A MET 52.A N LYS 48.A O no hydrogen 2.941 N/A CYS 53.A N THR 49.A O no hydrogen 2.912 N/A CYS 53.A SG PRO 9.A O no hydrogen 3.943 N/A CYS 53.A SG THR 49.A O no hydrogen 3.223 N/A ILE 54.A N ARG 50.A O no hydrogen 2.889 N/A LEU 55.A N ILE 51.A O no hydrogen 2.933 N/A ARG 56.A N MET 52.A O no hydrogen 2.915 N/A GLU 57.A N CYS 53.A O no hydrogen 2.894 N/A LEU 58.A N ILE 54.A O no hydrogen 2.898 N/A TYR 59.A N LEU 55.A O no hydrogen 2.916 N/A TYR 59.A OH PHE 128.A O no hydrogen 2.478 N/A LYS 65.A N GLY 62.A O no hydrogen 3.450 N/A ARG 67.A N ALA 87.A O no hydrogen 2.903 N/A ARG 67.A NH2 ASN 89.A OD1 no hydrogen 2.946 N/A GLU 69.A N THR 85.A O no hydrogen 2.896 N/A GLN 71.A N ILE 83.A O no hydrogen 2.927 N/A ILE 73.A N ILE 81.A O no hydrogen 2.918 N/A THR 75.A N LYS 79.A O no hydrogen 3.399 N/A THR 75.A OG1 LYS 79.A O no hydrogen 3.163 N/A LYS 78.A N THR 75.A O no hydrogen 2.910 N/A LYS 79.A N THR 75.A OG1 no hydrogen 2.720 N/A ILE 81.A N ILE 73.A O no hydrogen 2.910 N/A ILE 83.A N GLN 71.A O no hydrogen 2.888 N/A ALA 87.A N ARG 67.A O no hydrogen 2.908 N/A SER 88.A N HIS 91.A O no hydrogen 3.003 N/A SER 88.A OG GLY 62.A O no hydrogen 2.913 N/A SER 88.A OG LYS 65.A O no hydrogen 3.538 N/A HIS 91.A NE2 GLU 93.A OE2 no hydrogen 3.034 N/A LEU 92.A N VAL 130.A O no hydrogen 2.943 N/A GLU 93.A N ILE 86.A O no hydrogen 2.591 N/A VAL 94.A N LEU 132.A O no hydrogen 2.884 N/A SER 97.A OG GLU 135.A O no hydrogen 3.374 N/A ASP 98.A N ASN 95.A O no hydrogen 3.444 N/A ALA 99.A N PRO 96.A O no hydrogen 2.938 N/A GLY 100.A N SER 97.A O no hydrogen 2.922 N/A SER 102.A N ALA 99.A O no hydrogen 2.963 N/A SER 102.A OG SER 102.A O no hydrogen 2.373 N/A ASP 103.A N GLY 100.A O no hydrogen 2.965 N/A VAL 105.A N SER 102.A O no hydrogen 2.971 N/A ILE 107.A N ASP 103.A O no hydrogen 3.118 N/A GLN 108.A N ARG 104.A O no hydrogen 2.724 N/A GLU 109.A N VAL 105.A O no hydrogen 3.254 N/A MET 110.A N VAL 106.A O no hydrogen 3.015 N/A LEU 111.A N VAL 106.A O no hydrogen 3.009 N/A THR 113.A OG1 GLU 109.A O no hydrogen 2.608 N/A ALA 115.A N LEU 111.A O no hydrogen 2.973 N/A GLN 116.A N LYS 112.A O no hydrogen 2.672 N/A GLN 116.A NE2 TYR 154.A OH no hydrogen 3.362 N/A SER 117.A OG THR 113.A O no hydrogen 3.135 N/A SER 117.A OG VAL 114.A O no hydrogen 3.522 N/A GLN 119.A NE2 PHE 128.A O no hydrogen 3.100 N/A THR 122.A OG1 THR 122.A O no hydrogen 2.481 N/A SER 124.A N GLU 121.A OE2 no hydrogen 3.349 N/A GLN 125.A NE2 ASN 89.A O no hydrogen 2.549 N/A LYS 129.A N THR 157.A O no hydrogen 2.803 N/A LYS 129.A NZ VAL 114.A O no hydrogen 3.365 N/A LYS 129.A NZ SER 117.A O no hydrogen 3.507 N/A VAL 131.A N ARG 159.A O no hydrogen 3.060 N/A LEU 132.A N LEU 92.A O no hydrogen 2.860 N/A THR 134.A N VAL 94.A O no hydrogen 2.921 N/A VAL 136.A N CYS 163.A O no hydrogen 3.245 N/A ASP 137.A N ASP 137.A OD1 no hydrogen 2.468 N/A LEU 139.A N VAL 136.A O no hydrogen 3.278 N/A THR 140.A N ASP 103.A OD2 no hydrogen 2.928 N/A THR 140.A OG1 ASP 103.A OD1 no hydrogen 2.913 N/A THR 140.A OG1 ASP 103.A OD2 no hydrogen 3.138 N/A GLN 144.A N THR 140.A O no hydrogen 3.169 N/A GLN 144.A NE2 LEU 139.A O no hydrogen 3.218 N/A GLN 144.A NE2 LYS 169.A O no hydrogen 3.180 N/A HIS 145.A N LYS 141.A O no hydrogen 2.888 N/A ALA 146.A N ASP 142.A O no hydrogen 2.889 N/A ARG 148.A NH1 HIS 145.A ND1 no hydrogen 3.550 N/A ARG 149.A NH1 GLU 152.A OE1 no hydrogen 3.027 N/A THR 150.A OG1 ALA 146.A O no hydrogen 3.425 N/A MET 151.A N LEU 147.A O no hydrogen 2.923 N/A GLU 152.A N ARG 148.A O no hydrogen 2.934 N/A LYS 153.A N ARG 149.A O no hydrogen 2.899 N/A CYS 158.A N TYR 154.A O no hydrogen 3.099 N/A CYS 158.A SG ARG 159.A O no hydrogen 3.878 N/A ARG 159.A N LYS 129.A O no hydrogen 2.691 N/A ARG 159.A NH2 PHE 34.A O no hydrogen 2.791 N/A LEU 160.A N HIS 36.A ND1 no hydrogen 3.243 N/A ILE 161.A N VAL 131.A O no hydrogen 3.069 N/A LEU 162.A N LEU 37.A O no hydrogen 2.867 N/A CYS 163.A N LEU 133.A O no hydrogen 3.214 N/A CYS 163.A SG VAL 39.A O no hydrogen 3.917 N/A CYS 164.A N VAL 39.A O no hydrogen 2.939 N/A CYS 164.A SG SER 166.A O no hydrogen 3.925 N/A ASN 165.A ND2 GLY 41.A O no hydrogen 3.593 N/A VAL 170.A N THR 167.A O no hydrogen 3.246 N/A ILE 171.A N GLN 144.A OE1 no hydrogen 2.880 N/A ILE 174.A N ILE 171.A O no hydrogen 3.121 N/A ARG 175.A N ILE 171.A O no hydrogen 3.121 N/A ARG 175.A NE THR 167.A O no hydrogen 2.661 N/A ARG 175.A NE VAL 170.A O no hydrogen 2.955 N/A SER 176.A N PRO 172.A O no hydrogen 2.909 N/A ARG 177.A N ILE 174.A O no hydrogen 3.055 N/A ARG 177.A NH1 PRO 173.A O no hydrogen 2.836 N/A ARG 177.A NH2 GLU 152.A OE1 no hydrogen 3.399 N/A CYS 178.A SG ILE 174.A O no hydrogen 3.215 N/A LEU 179.A N HIS 36.A O no hydrogen 2.727 N/A VAL 181.A N LEU 38.A O no hydrogen 2.873 N/A VAL 183.A N TYR 40.A O no hydrogen 2.907 N/A SER 187.A N ASP 190.A OD2 no hydrogen 3.430 N/A SER 187.A OG GLU 189.A OE1 no hydrogen 2.868 N/A SER 187.A OG ASP 190.A OD2 no hydrogen 2.849 N/A ILE 191.A N SER 187.A O no hydrogen 3.080 N/A CYS 192.A N ILE 188.A O no hydrogen 2.925 N/A CYS 192.A SG ILE 188.A O no hydrogen 3.241 N/A CYS 192.A SG HIS 212.A ND1 no hydrogen 3.239 N/A HIS 193.A N GLU 189.A O no hydrogen 2.899 N/A VAL 194.A N ASP 190.A O no hydrogen 2.919 N/A LEU 195.A N ILE 191.A O no hydrogen 2.898 N/A SER 196.A N CYS 192.A O no hydrogen 2.905 N/A SER 196.A OG CYS 192.A O no hydrogen 2.781 N/A THR 197.A N HIS 193.A O no hydrogen 2.933 N/A THR 197.A OG1 HIS 193.A O no hydrogen 2.896 N/A THR 197.A OG1 VAL 194.A O no hydrogen 2.676 N/A VAL 198.A N VAL 194.A O no hydrogen 2.935 N/A CYS 199.A N LEU 195.A O no hydrogen 2.920 N/A CYS 199.A SG LEU 195.A O no hydrogen 3.289 N/A LYS 200.A N SER 196.A O no hydrogen 2.891 N/A LYS 201.A N THR 197.A O no hydrogen 2.906 N/A GLU 202.A N VAL 198.A O no hydrogen 2.922 N/A GLY 203.A N LYS 200.A O no hydrogen 3.114 N/A LEU 204.A N CYS 199.A O no hydrogen 2.612 N/A ALA 211.A N PRO 207.A O no hydrogen 3.245 N/A HIS 212.A N SER 208.A O no hydrogen 2.916 N/A HIS 212.A ND1 SER 208.A O no hydrogen 2.566 N/A ARG 213.A N GLN 209.A O no hydrogen 2.918 N/A ARG 213.A NE ALA 241.A O no hydrogen 3.295 N/A ARG 213.A NH2 ALA 241.A O no hydrogen 3.384 N/A ARG 213.A NH2 GLN 243.A O no hydrogen 2.412 N/A LEU 214.A N LEU 210.A O no hydrogen 2.892 N/A ALA 215.A N ALA 211.A O no hydrogen 2.924 N/A GLU 216.A N HIS 212.A O no hydrogen 2.899 N/A LYS 217.A N ARG 213.A O no hydrogen 2.897 N/A LYS 217.A NZ GLU 247.A OE1 no hydrogen 3.564 N/A SER 218.A N LEU 214.A O no hydrogen 2.923 N/A SER 218.A OG LEU 214.A O no hydrogen 2.960 N/A SER 218.A OG ALA 215.A O no hydrogen 3.106 N/A CYS 219.A N GLU 216.A O no hydrogen 3.408 N/A CYS 219.A SG LYS 217.A O no hydrogen 3.916 N/A ARG 220.A NE PRO 186.A O no hydrogen 2.995 N/A ARG 220.A NH2 ALA 185.A O no hydrogen 2.662 N/A LEU 222.A N GLY 44.A O no hydrogen 3.198 N/A LYS 224.A N ASN 221.A OD1 no hydrogen 3.283 N/A LYS 224.A NZ GLU 251.A OE2 no hydrogen 3.482 N/A ALA 225.A N ASN 221.A O no hydrogen 2.935 N/A LEU 226.A N LEU 222.A O no hydrogen 2.911 N/A LEU 227.A N ARG 223.A O no hydrogen 2.953 N/A MET 228.A N LYS 224.A O no hydrogen 2.873 N/A CYS 229.A N ALA 225.A O no hydrogen 2.908 N/A GLU 230.A N LEU 226.A O no hydrogen 2.944 N/A ALA 231.A N LEU 227.A O no hydrogen 2.903 N/A CYS 232.A N MET 228.A O no hydrogen 2.886 N/A CYS 232.A SG MET 228.A O no hydrogen 3.271 N/A ARG 233.A N CYS 229.A O no hydrogen 2.923 N/A VAL 234.A N GLU 230.A O no hydrogen 2.921 N/A GLN 235.A N ALA 231.A O no hydrogen 2.929 N/A GLN 235.A NE2 GLU 244.A O no hydrogen 2.589 N/A GLN 236.A N CYS 232.A O no hydrogen 3.207 N/A GLN 236.A NE2 PRO 238.A O no hydrogen 3.389 N/A ASP 242.A N ASP 242.A OD1 no hydrogen 2.556 N/A GLN 243.A NE2 CYS 232.A O no hydrogen 2.879 N/A GLN 243.A NE2 GLN 236.A O no hydrogen 3.686 N/A VAL 252.A N THR 248.A O no hydrogen 3.516 N/A TYR 253.A N ASP 249.A O no hydrogen 2.806 N/A LEU 254.A N TRP 250.A O no hydrogen 2.873 N/A ARG 255.A N GLU 251.A O no hydrogen 2.953 N/A GLU 256.A N VAL 252.A O no hydrogen 2.910 N/A THR 257.A N TYR 253.A O no hydrogen 2.887 N/A THR 257.A OG1 TYR 253.A O no hydrogen 2.577 N/A ALA 258.A N LEU 254.A O no hydrogen 2.948 N/A ASN 259.A N ARG 255.A O no hydrogen 2.933 N/A ALA 260.A N GLU 256.A O no hydrogen 2.903 N/A ILE 261.A N THR 257.A O no hydrogen 2.920 N/A VAL 262.A N ALA 258.A O no hydrogen 2.942 N/A SER 263.A N ASN 259.A O no hydrogen 2.905 N/A SER 263.A OG ASN 259.A O no hydrogen 2.369 N/A GLN 265.A NE2 ILE 261.A O no hydrogen 3.354 N/A GLN 265.A NE2 VAL 262.A O no hydrogen 3.200 N/A THR 266.A OG1 GLN 264.A OE1 no hydrogen 2.450 N/A ARG 269.A NH1 ALA 260.A O no hydrogen 3.186 N/A LEU 270.A N THR 266.A O no hydrogen 2.787 N/A LEU 271.A N PRO 267.A O no hydrogen 2.919 N/A GLU 272.A N GLN 268.A O no hydrogen 2.988 N/A VAL 273.A N ARG 269.A O no hydrogen 2.865 N/A ARG 274.A N LEU 270.A O no hydrogen 2.882 N/A GLY 275.A N LEU 271.A O no hydrogen 3.148 N/A ARG 276.A N GLU 272.A O no hydrogen 2.962 N/A ARG 276.A NE THR 257.A OG1 no hydrogen 3.013 N/A LEU 277.A N VAL 273.A O no hydrogen 2.848 N/A TYR 278.A N ARG 274.A O no hydrogen 2.973 N/A GLU 279.A N GLY 275.A O no hydrogen 2.944 N/A LEU 280.A N ARG 276.A O no hydrogen 2.928 N/A LEU 281.A N LEU 277.A O no hydrogen 2.890 N/A THR 282.A N TYR 278.A O no hydrogen 2.734 N/A THR 282.A OG1 TYR 278.A O no hydrogen 2.967 N/A HIS 283.A ND1 GLU 279.A O no hydrogen 2.806 N/A GLU 288.A N GLU 288.A OE1 no hydrogen 2.910 N/A ILE 290.A N PRO 286.A O no hydrogen 3.223 N/A MET 291.A N PRO 287.A O no hydrogen 2.923 N/A LYS 292.A N GLU 288.A O no hydrogen 2.888 N/A LYS 292.A NZ GLU 288.A O no hydrogen 3.386 N/A GLY 293.A N ILE 289.A O no hydrogen 2.907 N/A LEU 294.A N ILE 290.A O no hydrogen 2.898 N/A LEU 295.A N MET 291.A O no hydrogen 2.922 N/A SER 296.A N LYS 292.A O no hydrogen 2.886 N/A GLU 297.A N GLY 293.A O no hydrogen 2.968 N/A LEU 298.A N LEU 294.A O no hydrogen 2.877 N/A LEU 299.A N LEU 295.A O no hydrogen 2.935 N/A HIS 300.A N GLU 297.A O no hydrogen 3.398 N/A ASN 301.A N LEU 298.A O no hydrogen 3.302 N/A CYS 302.A SG LEU 298.A O no hydrogen 3.272 N/A GLY 304.A N ASP 303.A OD1 no hydrogen 2.632 N/A LEU 306.A N ASP 303.A O no hydrogen 3.479 N/A GLU 309.A N GLU 309.A OE1 no hydrogen 2.628 N/A VAL 310.A N LEU 306.A O no hydrogen 2.985 N/A ALA 311.A N LYS 307.A O no hydrogen 2.907 N/A GLN 312.A N GLY 308.A O no hydrogen 2.938 N/A MET 313.A N GLU 309.A O no hydrogen 2.962 N/A ALA 314.A N VAL 310.A O no hydrogen 2.934 N/A ALA 315.A N ALA 311.A O no hydrogen 2.965 N/A TYR 316.A N GLN 312.A O no hydrogen 2.941 N/A TYR 317.A N MET 313.A O no hydrogen 2.965 N/A GLU 318.A N ALA 314.A O no hydrogen 2.913 N/A HIS 319.A N ALA 315.A O no hydrogen 2.950 N/A ARG 320.A N TYR 316.A O no hydrogen 2.981 N/A ARG 320.A NH1 TYR 316.A OH no hydrogen 3.490 N/A LEU 321.A N TYR 317.A O no hydrogen 2.870 N/A GLN 322.A N GLU 318.A O no hydrogen 2.934 N/A GLN 322.A NE2 GLU 288.A OE1 no hydrogen 3.172 N/A GLN 322.A NE2 GLU 318.A OE2 no hydrogen 2.946 N/A LEU 323.A N HIS 319.A O no hydrogen 2.957 N/A GLY 324.A N ARG 320.A O no hydrogen 3.202 N/A GLY 324.A N LEU 321.A O no hydrogen 3.370 N/A HIS 330.A ND1 LYS 326.A O no hydrogen 2.858 N/A LEU 331.A N ALA 327.A O no hydrogen 2.955 N/A GLU 332.A N ILE 328.A O no hydrogen 2.912 N/A ALA 333.A N TYR 329.A O no hydrogen 2.884 N/A PHE 334.A N HIS 330.A O no hydrogen 2.933 N/A VAL 335.A N LEU 331.A O no hydrogen 2.980 N/A ALA 336.A N GLU 332.A O no hydrogen 2.872 N/A LYS 337.A N ALA 333.A O no hydrogen 2.925 N/A PHE 338.A N PHE 334.A O no hydrogen 2.928 N/A MET 339.A N VAL 335.A O no hydrogen 2.872 N/A ALA 340.A N ALA 336.A O no hydrogen 2.950 N/A LEU 341.A N LYS 337.A O no hydrogen 2.970 N/A TYR 342.A N PHE 338.A O no hydrogen 2.833 N/A LYS 343.A N MET 339.A O no hydrogen 2.907 N/A LYS 343.A NZ GLN 265.A O no hydrogen 3.175 N/A LYS 344.A N ALA 340.A O no hydrogen 2.958 N/A PHE 345.A N LEU 341.A O no hydrogen 2.918 N/A MET 346.A N TYR 342.A O no hydrogen 2.901 N/A GLU 347.A N LYS 343.A O no hydrogen 2.963 N/A ASP 348.A N LYS 344.A O no hydrogen 3.173 N/A