Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8umy_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 3.A N GLU 230.A OE2 no hydrogen 3.013 N/A ASP 5.A N LEU 2.A O no hydrogen 3.320 N/A LYS 6.A N LEU 2.A O no hydrogen 3.004 N/A LYS 6.A NZ GLU 202.A OE2 no hydrogen 3.211 N/A TYR 7.A OH GLU 202.A OE1 no hydrogen 2.688 N/A ARG 14.A N SER 11.A O no hydrogen 3.321 N/A TYR 17.A OH ALA 45.A O no hydrogen 2.348 N/A HIS 18.A NE2 PRO 184.A O no hydrogen 2.873 N/A LYS 19.A NZ LEU 15.A O no hydrogen 2.453 N/A ALA 22.A N HIS 18.A O no hydrogen 2.906 N/A ALA 23.A N LYS 19.A O no hydrogen 2.919 N/A GLN 24.A N GLU 20.A O no hydrogen 2.934 N/A LEU 25.A N GLN 21.A O no hydrogen 2.860 N/A ARG 26.A N ALA 22.A O no hydrogen 2.913 N/A ASN 27.A N ALA 23.A O no hydrogen 2.934 N/A LEU 28.A N GLN 24.A O no hydrogen 2.902 N/A CYS 31.A SG ASP 33.A OD2 no hydrogen 3.262 N/A HIS 36.A NE2 MET 151.A O no hydrogen 2.570 N/A LEU 37.A N LEU 160.A O no hydrogen 3.035 N/A LEU 38.A N LEU 179.A O no hydrogen 2.660 N/A VAL 39.A N LEU 162.A O no hydrogen 2.777 N/A TYR 40.A N VAL 181.A O no hydrogen 2.956 N/A ALA 45.A N PRO 42.A O no hydrogen 3.311 N/A LYS 47.A NZ PRO 42.A O no hydrogen 2.822 N/A LYS 48.A NZ GLU 93.A OE1 no hydrogen 2.948 N/A ARG 50.A N GLY 46.A O no hydrogen 3.245 N/A ARG 50.A NH1 GLY 46.A O no hydrogen 3.044 N/A ARG 50.A NH2 TYR 17.A O no hydrogen 2.662 N/A ILE 51.A N LYS 47.A O no hydrogen 2.924 N/A MET 52.A N LYS 48.A O no hydrogen 2.921 N/A CYS 53.A N THR 49.A O no hydrogen 2.886 N/A CYS 53.A SG PRO 9.A O no hydrogen 4.028 N/A CYS 53.A SG CYS 10.A O no hydrogen 3.423 N/A CYS 53.A SG THR 49.A O no hydrogen 3.240 N/A ILE 54.A N ARG 50.A O no hydrogen 2.887 N/A LEU 55.A N ILE 51.A O no hydrogen 2.952 N/A ARG 56.A N MET 52.A O no hydrogen 2.865 N/A GLU 57.A N CYS 53.A O no hydrogen 2.882 N/A LEU 58.A N ILE 54.A O no hydrogen 2.907 N/A TYR 59.A N LEU 55.A O no hydrogen 3.064 N/A TYR 59.A OH PHE 128.A O no hydrogen 2.555 N/A GLU 64.A N VAL 61.A O no hydrogen 3.281 N/A LYS 65.A N GLY 62.A O no hydrogen 3.347 N/A ARG 67.A N ALA 87.A O no hydrogen 3.159 N/A GLU 69.A N THR 85.A O no hydrogen 2.749 N/A GLN 71.A N ILE 83.A O no hydrogen 2.994 N/A ILE 73.A N ILE 81.A O no hydrogen 3.105 N/A THR 75.A N LYS 79.A O no hydrogen 3.286 N/A THR 75.A OG1 LYS 79.A O no hydrogen 3.040 N/A LYS 78.A N THR 75.A O no hydrogen 2.946 N/A LYS 79.A N THR 75.A OG1 no hydrogen 2.726 N/A ILE 81.A N ILE 73.A O no hydrogen 3.031 N/A ILE 83.A N GLN 71.A O no hydrogen 3.115 N/A THR 85.A N GLU 69.A O no hydrogen 2.779 N/A THR 85.A OG1 GLU 69.A O no hydrogen 3.206 N/A ILE 86.A N GLU 93.A O no hydrogen 3.006 N/A ALA 87.A N ARG 67.A O no hydrogen 3.124 N/A SER 88.A N HIS 91.A O no hydrogen 2.857 N/A SER 88.A OG GLY 62.A O no hydrogen 2.957 N/A SER 88.A OG LYS 65.A O no hydrogen 3.447 N/A HIS 91.A NE2 GLU 93.A OE2 no hydrogen 3.170 N/A LEU 92.A N VAL 130.A O no hydrogen 3.070 N/A GLU 93.A N ILE 86.A O no hydrogen 2.504 N/A VAL 94.A N LEU 132.A O no hydrogen 2.656 N/A SER 97.A OG GLU 135.A O no hydrogen 3.483 N/A ASP 98.A N ASN 95.A O no hydrogen 3.305 N/A ALA 99.A N PRO 96.A O no hydrogen 3.270 N/A GLY 100.A N SER 97.A O no hydrogen 3.115 N/A SER 102.A OG SER 102.A O no hydrogen 2.443 N/A ILE 107.A N ASP 103.A O no hydrogen 2.938 N/A GLN 108.A N ARG 104.A O no hydrogen 2.882 N/A GLU 109.A N VAL 105.A O no hydrogen 2.914 N/A MET 110.A N VAL 106.A O no hydrogen 2.898 N/A LEU 111.A N VAL 106.A O no hydrogen 3.338 N/A THR 113.A N GLU 109.A O no hydrogen 3.421 N/A THR 113.A OG1 GLU 109.A O no hydrogen 3.062 N/A THR 113.A OG1 MET 110.A O no hydrogen 2.948 N/A VAL 114.A N MET 110.A O no hydrogen 3.429 N/A ALA 115.A N LEU 111.A O no hydrogen 2.932 N/A GLN 116.A N LYS 112.A O no hydrogen 2.893 N/A GLN 116.A NE2 TYR 154.A OH no hydrogen 3.375 N/A SER 117.A OG THR 113.A O no hydrogen 3.329 N/A SER 117.A OG VAL 114.A O no hydrogen 3.555 N/A THR 122.A OG1 ASP 127.A OD1 no hydrogen 3.298 N/A LYS 129.A N THR 157.A O no hydrogen 3.051 N/A LYS 129.A NZ VAL 114.A O no hydrogen 3.045 N/A LYS 129.A NZ SER 117.A O no hydrogen 3.224 N/A VAL 131.A N ARG 159.A O no hydrogen 2.856 N/A LEU 132.A N LEU 92.A O no hydrogen 2.644 N/A LEU 133.A N ILE 161.A O no hydrogen 3.276 N/A THR 134.A N VAL 94.A O no hydrogen 2.956 N/A VAL 136.A N CYS 163.A O no hydrogen 3.137 N/A ASP 137.A N ASP 137.A OD1 no hydrogen 2.513 N/A LYS 138.A N GLU 135.A O no hydrogen 3.388 N/A LYS 138.A NZ GLU 135.A OE1 no hydrogen 3.428 N/A LEU 139.A N VAL 136.A O no hydrogen 3.354 N/A THR 140.A N ASP 103.A OD2 no hydrogen 3.234 N/A THR 140.A OG1 ASP 103.A OD1 no hydrogen 3.144 N/A THR 140.A OG1 ASP 103.A OD2 no hydrogen 3.513 N/A GLN 144.A N THR 140.A O no hydrogen 3.219 N/A GLN 144.A NE2 LEU 139.A O no hydrogen 3.291 N/A GLN 144.A NE2 LYS 169.A O no hydrogen 3.143 N/A HIS 145.A N LYS 141.A O no hydrogen 2.897 N/A ALA 146.A N ASP 142.A O no hydrogen 2.913 N/A LEU 147.A N GLN 144.A O no hydrogen 3.278 N/A ARG 148.A NH1 HIS 145.A ND1 no hydrogen 3.169 N/A MET 151.A N LEU 147.A O no hydrogen 3.261 N/A GLU 152.A N ARG 149.A O no hydrogen 3.303 N/A LYS 153.A N ARG 149.A O no hydrogen 2.919 N/A TYR 154.A N THR 150.A O no hydrogen 3.469 N/A CYS 158.A N TYR 154.A O no hydrogen 3.068 N/A CYS 158.A SG ARG 159.A O no hydrogen 3.896 N/A ARG 159.A N LYS 129.A O no hydrogen 2.603 N/A ARG 159.A NH1 GLY 32.A O no hydrogen 3.173 N/A ARG 159.A NH1 PHE 34.A O no hydrogen 2.415 N/A LEU 160.A N HIS 36.A ND1 no hydrogen 3.131 N/A ILE 161.A N VAL 131.A O no hydrogen 3.130 N/A LEU 162.A N LEU 37.A O no hydrogen 2.698 N/A CYS 163.A N LEU 133.A O no hydrogen 3.028 N/A CYS 163.A SG VAL 39.A O no hydrogen 3.872 N/A CYS 164.A N VAL 39.A O no hydrogen 3.151 N/A CYS 164.A SG SER 166.A O no hydrogen 3.895 N/A VAL 170.A N THR 167.A O no hydrogen 3.317 N/A ILE 171.A N GLN 144.A OE1 no hydrogen 2.817 N/A ILE 174.A N ILE 171.A O no hydrogen 3.093 N/A ARG 175.A N ILE 171.A O no hydrogen 3.049 N/A ARG 175.A NE THR 167.A O no hydrogen 2.854 N/A ARG 175.A NE VAL 170.A O no hydrogen 2.894 N/A ARG 175.A NH2 VAL 170.A O no hydrogen 3.053 N/A SER 176.A N PRO 172.A O no hydrogen 2.903 N/A ARG 177.A N ILE 174.A O no hydrogen 3.062 N/A ARG 177.A NH1 PRO 173.A O no hydrogen 3.008 N/A ARG 177.A NH2 GLU 152.A OE1 no hydrogen 3.389 N/A CYS 178.A SG ILE 174.A O no hydrogen 3.234 N/A LEU 179.A N HIS 36.A O no hydrogen 2.617 N/A VAL 181.A N LEU 38.A O no hydrogen 2.757 N/A VAL 183.A N TYR 40.A O no hydrogen 2.854 N/A SER 187.A N ASP 190.A OD2 no hydrogen 3.381 N/A SER 187.A OG ASP 190.A OD2 no hydrogen 2.900 N/A ASP 190.A N SER 187.A OG no hydrogen 3.428 N/A ILE 191.A N SER 187.A O no hydrogen 3.016 N/A CYS 192.A N ILE 188.A O no hydrogen 2.923 N/A CYS 192.A SG ILE 188.A O no hydrogen 3.246 N/A CYS 192.A SG HIS 212.A ND1 no hydrogen 3.250 N/A HIS 193.A N GLU 189.A O no hydrogen 2.887 N/A VAL 194.A N ASP 190.A O no hydrogen 2.931 N/A LEU 195.A N ILE 191.A O no hydrogen 2.893 N/A SER 196.A N CYS 192.A O no hydrogen 2.881 N/A SER 196.A OG CYS 192.A O no hydrogen 2.687 N/A THR 197.A N HIS 193.A O no hydrogen 2.929 N/A THR 197.A OG1 HIS 193.A O no hydrogen 2.865 N/A THR 197.A OG1 VAL 194.A O no hydrogen 2.735 N/A VAL 198.A N VAL 194.A O no hydrogen 2.919 N/A CYS 199.A N LEU 195.A O no hydrogen 2.915 N/A CYS 199.A SG LEU 195.A O no hydrogen 3.321 N/A LYS 200.A N SER 196.A O no hydrogen 2.882 N/A LYS 201.A N THR 197.A O no hydrogen 2.921 N/A GLU 202.A N VAL 198.A O no hydrogen 2.977 N/A GLY 203.A N LYS 200.A O no hydrogen 3.277 N/A LEU 204.A N CYS 199.A O no hydrogen 2.683 N/A ALA 211.A N PRO 207.A O no hydrogen 3.119 N/A HIS 212.A N SER 208.A O no hydrogen 2.897 N/A HIS 212.A ND1 SER 208.A O no hydrogen 2.681 N/A ARG 213.A N GLN 209.A O no hydrogen 2.929 N/A ARG 213.A NE ALA 241.A O no hydrogen 3.205 N/A ARG 213.A NH1 GLN 243.A O no hydrogen 3.436 N/A ARG 213.A NH2 ALA 241.A O no hydrogen 2.910 N/A ARG 213.A NH2 GLN 243.A O no hydrogen 2.430 N/A LEU 214.A N LEU 210.A O no hydrogen 2.896 N/A ALA 215.A N ALA 211.A O no hydrogen 2.903 N/A GLU 216.A N HIS 212.A O no hydrogen 2.881 N/A LYS 217.A N ARG 213.A O no hydrogen 2.922 N/A SER 218.A N LEU 214.A O no hydrogen 3.255 N/A SER 218.A OG LEU 214.A O no hydrogen 3.127 N/A SER 218.A OG ALA 215.A O no hydrogen 2.925 N/A SER 218.A OG ASN 221.A O no hydrogen 3.546 N/A CYS 219.A SG LYS 217.A O no hydrogen 3.895 N/A ARG 220.A NE PRO 186.A O no hydrogen 3.132 N/A ARG 220.A NH2 ALA 185.A O no hydrogen 2.928 N/A ASN 221.A N SER 218.A O no hydrogen 3.294 N/A LEU 222.A N GLY 44.A O no hydrogen 3.305 N/A LYS 224.A N ASN 221.A OD1 no hydrogen 3.278 N/A LYS 224.A NZ THR 248.A OG1 no hydrogen 3.090 N/A ALA 225.A N ASN 221.A O no hydrogen 2.946 N/A LEU 226.A N LEU 222.A O no hydrogen 2.916 N/A LEU 227.A N ARG 223.A O no hydrogen 2.965 N/A MET 228.A N LYS 224.A O no hydrogen 2.867 N/A CYS 229.A N ALA 225.A O no hydrogen 2.899 N/A GLU 230.A N LEU 226.A O no hydrogen 2.971 N/A ALA 231.A N LEU 227.A O no hydrogen 2.908 N/A CYS 232.A N MET 228.A O no hydrogen 2.950 N/A CYS 232.A SG MET 228.A O no hydrogen 2.831 N/A ARG 233.A N GLU 230.A O no hydrogen 3.181 N/A ARG 233.A NE ARG 233.A O no hydrogen 3.030 N/A VAL 234.A N GLU 230.A O no hydrogen 3.149 N/A GLN 235.A N ALA 231.A O no hydrogen 2.906 N/A GLN 236.A N CYS 232.A O no hydrogen 3.116 N/A GLN 243.A NE2 CYS 232.A O no hydrogen 2.815 N/A VAL 252.A N THR 248.A O no hydrogen 3.489 N/A TYR 253.A N ASP 249.A O no hydrogen 2.938 N/A LEU 254.A N TRP 250.A O no hydrogen 2.877 N/A ARG 255.A N GLU 251.A O no hydrogen 2.931 N/A GLU 256.A N VAL 252.A O no hydrogen 2.912 N/A THR 257.A N TYR 253.A O no hydrogen 2.888 N/A THR 257.A OG1 TYR 253.A O no hydrogen 2.576 N/A ALA 258.A N LEU 254.A O no hydrogen 2.944 N/A ASN 259.A N ARG 255.A O no hydrogen 2.916 N/A ALA 260.A N GLU 256.A O no hydrogen 2.889 N/A ILE 261.A N THR 257.A O no hydrogen 2.915 N/A VAL 262.A N ALA 258.A O no hydrogen 2.956 N/A SER 263.A OG ASN 259.A O no hydrogen 3.329 N/A SER 263.A OG ALA 260.A O no hydrogen 2.819 N/A GLN 265.A NE2 ILE 261.A O no hydrogen 3.530 N/A GLN 265.A NE2 VAL 262.A O no hydrogen 3.257 N/A THR 266.A OG1 GLN 264.A OE1 no hydrogen 2.889 N/A ARG 269.A N THR 266.A OG1 no hydrogen 3.403 N/A ARG 269.A NH1 ALA 260.A O no hydrogen 3.348 N/A LEU 270.A N THR 266.A O no hydrogen 2.830 N/A LEU 271.A N PRO 267.A O no hydrogen 2.890 N/A GLU 272.A N GLN 268.A O no hydrogen 2.977 N/A VAL 273.A N ARG 269.A O no hydrogen 2.867 N/A ARG 274.A N LEU 270.A O no hydrogen 2.868 N/A ARG 274.A NE GLU 332.A OE2 no hydrogen 2.485 N/A ARG 274.A NH2 GLU 332.A OE2 no hydrogen 3.284 N/A GLY 275.A N LEU 271.A O no hydrogen 2.944 N/A ARG 276.A N GLU 272.A O no hydrogen 2.956 N/A ARG 276.A NE THR 257.A OG1 no hydrogen 2.956 N/A ARG 276.A NH2 TYR 253.A O no hydrogen 3.431 N/A LEU 277.A N VAL 273.A O no hydrogen 2.828 N/A TYR 278.A N ARG 274.A O no hydrogen 2.874 N/A GLU 279.A N GLY 275.A O no hydrogen 2.941 N/A LEU 280.A N ARG 276.A O no hydrogen 2.915 N/A LEU 281.A N LEU 277.A O no hydrogen 2.864 N/A THR 282.A N TYR 278.A O no hydrogen 2.916 N/A THR 282.A OG1 TYR 278.A O no hydrogen 2.808 N/A THR 282.A OG1 GLU 279.A O no hydrogen 2.956 N/A HIS 283.A ND1 GLU 279.A O no hydrogen 2.704 N/A CYS 284.A N LEU 281.A O no hydrogen 3.413 N/A GLU 288.A N GLU 288.A OE1 no hydrogen 2.940 N/A ILE 290.A N PRO 286.A O no hydrogen 3.162 N/A MET 291.A N PRO 287.A O no hydrogen 2.915 N/A LYS 292.A N GLU 288.A O no hydrogen 2.893 N/A GLY 293.A N ILE 289.A O no hydrogen 2.880 N/A LEU 294.A N ILE 290.A O no hydrogen 2.910 N/A LEU 295.A N MET 291.A O no hydrogen 2.921 N/A SER 296.A N LYS 292.A O no hydrogen 2.860 N/A GLU 297.A N GLY 293.A O no hydrogen 2.974 N/A GLU 297.A N LEU 294.A O no hydrogen 3.150 N/A LEU 298.A N LEU 294.A O no hydrogen 2.688 N/A LEU 299.A N LEU 295.A O no hydrogen 3.376 N/A ASN 301.A N LEU 298.A O no hydrogen 3.186 N/A CYS 302.A SG LEU 298.A O no hydrogen 3.285 N/A GLY 304.A N ASP 303.A OD1 no hydrogen 2.587 N/A GLN 305.A N GLN 305.A OE1 no hydrogen 2.749 N/A LEU 306.A N ASP 303.A O no hydrogen 3.296 N/A VAL 310.A N LEU 306.A O no hydrogen 3.379 N/A ALA 311.A N LYS 307.A O no hydrogen 2.944 N/A GLN 312.A N GLY 308.A O no hydrogen 2.925 N/A MET 313.A N GLU 309.A O no hydrogen 2.912 N/A ALA 314.A N VAL 310.A O no hydrogen 2.888 N/A ALA 315.A N ALA 311.A O no hydrogen 2.960 N/A TYR 316.A N GLN 312.A O no hydrogen 2.922 N/A TYR 317.A N MET 313.A O no hydrogen 2.914 N/A GLU 318.A N ALA 314.A O no hydrogen 2.910 N/A HIS 319.A N ALA 315.A O no hydrogen 2.934 N/A ARG 320.A N TYR 316.A O no hydrogen 2.961 N/A LEU 321.A N TYR 317.A O no hydrogen 2.869 N/A GLN 322.A N GLU 318.A O no hydrogen 2.913 N/A GLN 322.A NE2 GLU 318.A OE2 no hydrogen 3.113 N/A LEU 323.A N HIS 319.A O no hydrogen 2.936 N/A GLY 324.A N ARG 320.A O no hydrogen 2.944 N/A LEU 331.A N ALA 327.A O no hydrogen 2.948 N/A GLU 332.A N ILE 328.A O no hydrogen 2.914 N/A ALA 333.A N TYR 329.A O no hydrogen 2.902 N/A PHE 334.A N HIS 330.A O no hydrogen 2.939 N/A VAL 335.A N LEU 331.A O no hydrogen 2.989 N/A ALA 336.A N GLU 332.A O no hydrogen 2.874 N/A LYS 337.A N ALA 333.A O no hydrogen 2.915 N/A PHE 338.A N PHE 334.A O no hydrogen 2.936 N/A MET 339.A N VAL 335.A O no hydrogen 2.869 N/A ALA 340.A N ALA 336.A O no hydrogen 2.936 N/A LEU 341.A N LYS 337.A O no hydrogen 2.947 N/A TYR 342.A N PHE 338.A O no hydrogen 2.838 N/A LYS 343.A N MET 339.A O no hydrogen 2.917 N/A LYS 343.A NZ GLN 265.A O no hydrogen 3.296 N/A LYS 344.A N ALA 340.A O no hydrogen 2.942 N/A LYS 344.A NZ GLU 347.A OE2 no hydrogen 2.873 N/A PHE 345.A N LEU 341.A O no hydrogen 2.897 N/A MET 346.A N TYR 342.A O no hydrogen 2.894 N/A GLU 347.A N LYS 343.A O no hydrogen 2.918 N/A