Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8pum_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A N ALA 319.A O no hydrogen 3.052 N/A VAL 3.A N ARG 321.A O no hydrogen 2.876 N/A LEU 5.A N LEU 323.A O no hydrogen 2.804 N/A ARG 6.A N ASP 4.A OD1 no hydrogen 3.258 N/A ARG 6.A NE ASP 4.A OD1 no hydrogen 2.784 N/A ARG 6.A NH2 ASP 4.A OD2 no hydrogen 2.767 N/A SER 7.A OG ASP 8.A OD1 no hydrogen 3.364 N/A THR 11.A OG1 ASP 8.A O no hydrogen 3.483 N/A ARG 12.A N ASP 339.A OD2 no hydrogen 3.140 N/A ARG 18.A N GLY 14.A O no hydrogen 2.865 N/A ARG 18.A NE PRO 13.A O no hydrogen 3.280 N/A ARG 19.A N PRO 15.A O no hydrogen 2.889 N/A ALA 20.A N ALA 16.A O no hydrogen 2.977 N/A MET 21.A N MET 17.A O no hydrogen 3.000 N/A ALA 22.A N ARG 18.A O no hydrogen 3.447 N/A GLU 23.A N ARG 19.A O no hydrogen 2.918 N/A GLU 23.A N ALA 20.A O no hydrogen 3.317 N/A ASP 29.A N ARG 235.A O no hydrogen 2.512 N/A ASP 30.A N ASP 28.A OD1 no hydrogen 3.312 N/A GLY 32.A N ASP 29.A O no hydrogen 2.849 N/A GLU 33.A N ASP 28.A O no hydrogen 2.682 N/A THR 36.A N ASP 34.A OD1 no hydrogen 3.249 N/A THR 36.A OG1 VAL 25.A O no hydrogen 2.644 N/A VAL 37.A N ASP 34.A OD1 no hydrogen 3.388 N/A HIS 38.A N ASP 34.A O no hydrogen 3.200 N/A GLU 39.A N PRO 35.A O no hydrogen 2.842 N/A LEU 40.A N THR 36.A O no hydrogen 3.061 N/A GLN 41.A N VAL 37.A O no hydrogen 2.944 N/A GLU 42.A N HIS 38.A O no hydrogen 3.027 N/A LYS 43.A N GLU 39.A O no hydrogen 2.862 N/A LYS 43.A NZ GLU 39.A OE2 no hydrogen 3.342 N/A ALA 44.A N LEU 40.A O no hydrogen 3.071 N/A ALA 45.A N GLN 41.A O no hydrogen 3.102 N/A GLU 46.A N GLU 42.A O no hydrogen 3.401 N/A LEU 47.A N LYS 43.A O no hydrogen 3.051 N/A LEU 48.A N ALA 44.A O no hydrogen 2.902 N/A VAL 50.A N ALA 45.A O no hydrogen 3.047 N/A ARG 52.A N GLY 215.A O no hydrogen 2.906 N/A ARG 52.A NH1 GLU 51.A O no hydrogen 3.242 N/A THR 53.A OG1 GLN 41.A O no hydrogen 2.455 N/A LEU 54.A N VAL 213.A O no hydrogen 2.887 N/A PHE 55.A N GLN 41.A OE1 no hydrogen 3.165 N/A VAL 56.A N ALA 211.A O no hydrogen 2.741 N/A ASN 59.A ND2 ASP 173.A OD1 no hydrogen 2.993 N/A MET 61.A N THR 58.A OG1 no hydrogen 3.176 N/A ALA 62.A N THR 58.A O no hydrogen 3.209 N/A ASN 63.A N ASN 59.A O no hydrogen 2.872 N/A ASN 63.A ND2 GLU 90.A OE2 no hydrogen 3.141 N/A LEU 64.A N THR 60.A O no hydrogen 2.943 N/A ILE 65.A N MET 61.A O no hydrogen 2.743 N/A SER 66.A N ALA 62.A O no hydrogen 3.088 N/A SER 66.A OG ALA 62.A O no hydrogen 2.883 N/A SER 66.A OG HIS 171.A NE2 no hydrogen 3.264 N/A VAL 67.A N ASN 63.A O no hydrogen 2.912 N/A MET 68.A N LEU 64.A O no hydrogen 2.994 N/A GLY 69.A N ILE 65.A O no hydrogen 2.790 N/A HIS 70.A N SER 66.A O no hydrogen 2.961 N/A HIS 70.A NE2 SER 197.A OG no hydrogen 2.671 N/A CYS 71.A N VAL 67.A O no hydrogen 2.692 N/A CYS 71.A SG GLN 77.A O no hydrogen 3.988 N/A ARG 72.A NH1 GLY 69.A O no hydrogen 2.704 N/A ARG 73.A N GLU 135.A OE1 no hydrogen 3.267 N/A SER 76.A OG VAL 133.A O no hydrogen 3.341 N/A SER 76.A OG GLU 135.A OE1 no hydrogen 2.698 N/A GLN 77.A N VAL 133.A O no hydrogen 2.946 N/A VAL 78.A N HIS 101.A O no hydrogen 2.871 N/A LEU 79.A N LEU 136.A O no hydrogen 2.836 N/A GLN 82.A N LEU 105.A O no hydrogen 2.727 N/A GLN 82.A NE2 PRO 104.A O no hydrogen 3.637 N/A GLU 83.A N ASP 107.A OD1 no hydrogen 3.124 N/A CYS 84.A N GLY 81.A O no hydrogen 3.515 N/A CYS 84.A SG GLY 81.A O no hydrogen 3.239 N/A HIS 85.A N GLU 140.A OE1 no hydrogen 2.612 N/A HIS 85.A ND1 GLU 90.A OE2 no hydrogen 3.175 N/A HIS 87.A N CYS 84.A O no hydrogen 3.180 N/A VAL 88.A N CYS 84.A O no hydrogen 3.246 N/A TYR 89.A N HIS 85.A O no hydrogen 2.974 N/A GLY 93.A N GLU 90.A O no hydrogen 2.992 N/A ALA 95.A N GLY 92.A O no hydrogen 2.932 N/A GLN 96.A N GLY 92.A O no hydrogen 3.050 N/A GLN 96.A NE2 GLN 91.A O no hydrogen 2.662 N/A ILE 97.A N GLY 93.A O no hydrogen 3.139 N/A ALA 98.A N GLY 93.A O no hydrogen 2.907 N/A GLY 99.A N ALA 95.A O no hydrogen 3.084 N/A VAL 100.A N VAL 94.A O no hydrogen 2.659 N/A HIS 101.A N SER 76.A O no hydrogen 3.150 N/A HIS 101.A ND1 GLN 77.A OE1 no hydrogen 2.874 N/A HIS 103.A N VAL 78.A O no hydrogen 3.061 N/A LEU 105.A N LEU 80.A O no hydrogen 2.837 N/A GLY 111.A N ASP 107.A O no hydrogen 2.983 N/A LEU 113.A N TYR 155.A OH no hydrogen 2.708 N/A ASN 116.A N ASP 114.A OD1 no hydrogen 3.489 N/A ASN 116.A ND2 ASP 114.A OD1 no hydrogen 3.128 N/A LEU 118.A N ASP 114.A O no hydrogen 2.866 N/A GLU 119.A N LEU 115.A O no hydrogen 3.002 N/A ARG 120.A N ASN 116.A O no hydrogen 2.876 N/A ALA 121.A N GLU 117.A O no hydrogen 2.958 N/A LEU 122.A N LEU 118.A O no hydrogen 2.759 N/A THR 123.A N GLU 119.A O no hydrogen 3.038 N/A THR 123.A OG1 GLU 119.A O no hydrogen 2.744 N/A THR 123.A OG1 ARG 120.A O no hydrogen 2.877 N/A ARG 124.A N ARG 120.A O no hydrogen 3.004 N/A SER 126.A N THR 123.A O no hydrogen 3.300 N/A SER 126.A OG THR 123.A O no hydrogen 2.907 N/A SER 128.A OG HIS 131.A ND1 no hydrogen 3.248 N/A TYR 130.A N SER 128.A OG no hydrogen 3.303 N/A HIS 131.A N SER 128.A O no hydrogen 3.407 N/A HIS 131.A ND1 SER 128.A OG no hydrogen 3.248 N/A VAL 133.A N GLY 75.A O no hydrogen 2.827 N/A GLU 135.A N GLN 77.A O no hydrogen 3.070 N/A VAL 137.A N ARG 169.A O no hydrogen 2.694 N/A TYR 138.A N LEU 79.A O no hydrogen 2.688 N/A TYR 138.A OH ASP 173.A OD2 no hydrogen 3.107 N/A LEU 139.A N HIS 171.A O no hydrogen 2.955 N/A ASN 141.A N ASP 173.A O no hydrogen 3.147 N/A ASN 141.A ND2 LEU 151.A O no hydrogen 3.603 N/A THR 142.A N ARG 176.A O no hydrogen 3.328 N/A HIS 143.A N ARG 149.A O no hydrogen 3.208 N/A HIS 143.A NE2 ASP 107.A OD2 no hydrogen 2.737 N/A SER 144.A N GLU 140.A OE2 no hydrogen 2.936 N/A ALA 146.A N HIS 143.A ND1 no hydrogen 3.066 N/A GLY 147.A N SER 144.A O no hydrogen 3.148 N/A ARG 149.A NH1 GLU 285.A OE2 no hydrogen 3.016 N/A LEU 151.A N ASN 141.A OD1 no hydrogen 3.027 N/A LEU 156.A N PRO 152.A O no hydrogen 3.033 N/A ARG 157.A N VAL 153.A O no hydrogen 2.967 N/A GLN 158.A N ASP 154.A O no hydrogen 3.053 N/A VAL 159.A N TYR 155.A O no hydrogen 3.204 N/A CYS 160.A N LEU 156.A O no hydrogen 3.356 N/A CYS 160.A SG LEU 156.A O no hydrogen 3.196 N/A CYS 160.A SG HIS 194.A O no hydrogen 2.910 N/A LEU 161.A N ARG 157.A O no hydrogen 3.044 N/A LEU 162.A N GLN 158.A O no hydrogen 2.936 N/A ALA 163.A N VAL 159.A O no hydrogen 2.749 N/A HIS 164.A N CYS 160.A O no hydrogen 2.465 N/A ALA 165.A N LEU 161.A O no hydrogen 3.040 N/A HIS 166.A N LEU 162.A O no hydrogen 3.411 N/A HIS 166.A ND1 LEU 162.A O no hydrogen 2.892 N/A ALA 168.A N ALA 163.A O no hydrogen 2.957 N/A ARG 169.A N GLU 135.A O no hydrogen 2.897 N/A ARG 169.A NH1 HIS 70.A ND1 no hydrogen 3.079 N/A VAL 170.A N ASP 196.A OD1 no hydrogen 2.728 N/A HIS 171.A N VAL 137.A O no hydrogen 3.072 N/A HIS 171.A NE2 SER 199.A OG no hydrogen 3.177 N/A MET 172.A N SER 197.A O no hydrogen 3.292 N/A ASP 173.A N LEU 139.A O no hydrogen 2.691 N/A ALA 175.A N ASP 173.A OD1 no hydrogen 3.297 N/A ARG 176.A NE ASP 8.A OD2 no hydrogen 2.804 N/A ARG 176.A NH2 ASP 8.A OD1 no hydrogen 2.991 N/A LEU 177.A N GLY 174.A O no hydrogen 3.177 N/A ALA 180.A N ARG 176.A O no hydrogen 3.292 N/A ALA 181.A N LEU 177.A O no hydrogen 2.995 N/A VAL 182.A N MET 178.A O no hydrogen 3.001 N/A ALA 183.A N ASN 179.A O no hydrogen 3.199 N/A LEU 184.A N ALA 180.A O no hydrogen 2.927 N/A ARG 185.A N VAL 182.A O no hydrogen 3.306 N/A ILE 186.A N ALA 181.A O no hydrogen 3.222 N/A ARG 190.A N PRO 187.A O no hydrogen 3.200 N/A LEU 191.A N PRO 188.A O no hydrogen 3.190 N/A GLU 193.A N ALA 189.A O no hydrogen 2.927 N/A CYS 195.A SG HIS 194.A O no hydrogen 2.994 N/A ASP 196.A N VAL 170.A O no hydrogen 2.830 N/A SER 197.A N VAL 170.A O no hydrogen 3.340 N/A SER 197.A OG HIS 70.A NE2 no hydrogen 2.671 N/A VAL 198.A N GLY 214.A O no hydrogen 3.107 N/A SER 199.A N MET 172.A O no hydrogen 2.959 N/A SER 199.A OG ASN 63.A OD1 no hydrogen 2.723 N/A SER 199.A OG HIS 171.A NE2 no hydrogen 3.177 N/A PHE 200.A N LEU 212.A O no hydrogen 3.204 N/A CYS 201.A SG SER 203.A OG no hydrogen 3.115 N/A PHE 202.A N GLY 210.A O no hydrogen 3.209 N/A ALA 207.A N PHE 202.A O no hydrogen 3.085 N/A ALA 211.A N VAL 56.A O no hydrogen 2.995 N/A LEU 212.A N PHE 200.A O no hydrogen 2.999 N/A VAL 213.A N LEU 54.A O no hydrogen 3.070 N/A GLY 214.A N VAL 198.A O no hydrogen 2.946 N/A GLY 215.A N ARG 52.A O no hydrogen 3.129 N/A PHE 219.A N SER 216.A OG no hydrogen 3.176 N/A ILE 220.A N SER 216.A O no hydrogen 3.001 N/A GLY 221.A N LYS 217.A O no hydrogen 2.890 N/A GLU 222.A N ASP 218.A O no hydrogen 2.961 N/A ALA 223.A N PHE 219.A O no hydrogen 2.936 N/A TRP 224.A N ILE 220.A O no hydrogen 3.123 N/A TRP 224.A N GLY 221.A O no hydrogen 3.354 N/A ARG 227.A N ALA 223.A O no hydrogen 2.828 N/A ARG 227.A NH1 ASP 29.A OD2 no hydrogen 3.036 N/A ARG 227.A NH1 PHE 55.A O no hydrogen 2.931 N/A LYS 228.A N TRP 224.A O no hydrogen 2.942 N/A LYS 228.A NZ ASP 30.A OD1 no hydrogen 2.844 N/A ALA 229.A N ARG 225.A O no hydrogen 2.850 N/A LEU 230.A N LEU 226.A O no hydrogen 2.967 N/A GLY 231.A N LYS 228.A O no hydrogen 3.403 N/A GLY 232.A N ARG 227.A O no hydrogen 2.844 N/A MET 234.A N GLY 232.A O no hydrogen 2.917 N/A ARG 235.A NH2 ASP 28.A OD2 no hydrogen 3.062 N/A GLY 238.A N ASP 34.A OD2 no hydrogen 2.559 N/A ALA 241.A N ALA 237.A O no hydrogen 2.899 N/A ALA 242.A N GLY 238.A O no hydrogen 3.035 N/A ALA 244.A N LEU 240.A O no hydrogen 3.248 N/A LEU 245.A N ALA 241.A O no hydrogen 2.952 N/A VAL 246.A N ALA 242.A O no hydrogen 3.411 N/A VAL 246.A N ALA 243.A O no hydrogen 3.202 N/A GLY 247.A N ALA 243.A O no hydrogen 3.322 N/A LEU 248.A N ALA 244.A O no hydrogen 2.987 N/A ALA 249.A N LEU 245.A O no hydrogen 3.303 N/A ALA 249.A N VAL 246.A O no hydrogen 3.132 N/A GLU 250.A N VAL 246.A O no hydrogen 3.064 N/A GLU 252.A N GLU 252.A OE1 no hydrogen 2.603 N/A VAL 254.A N GLU 250.A O no hydrogen 3.088 N/A VAL 254.A N ALA 251.A O no hydrogen 3.279 N/A LEU 255.A N ALA 251.A O no hydrogen 3.135 N/A ASP 258.A N VAL 254.A O no hydrogen 3.415 N/A HIS 259.A N LEU 255.A O no hydrogen 3.012 N/A HIS 259.A NE2 ASN 179.A O no hydrogen 3.143 N/A GLU 260.A N PRO 256.A O no hydrogen 2.900 N/A ASN 261.A N ARG 257.A O no hydrogen 3.035 N/A ALA 262.A N ASP 258.A O no hydrogen 3.141 N/A GLN 263.A N HIS 259.A O no hydrogen 2.979 N/A GLN 263.A NE2 VAL 284.A O no hydrogen 3.373 N/A ARG 264.A N GLU 260.A O no hydrogen 2.850 N/A ARG 264.A NH1 ASN 261.A OD1 no hydrogen 3.521 N/A ARG 264.A NH2 ASN 261.A OD1 no hydrogen 2.733 N/A PHE 265.A N ASN 261.A O no hydrogen 3.031 N/A ALA 266.A N ALA 262.A O no hydrogen 3.032 N/A LYS 267.A N GLN 263.A O no hydrogen 2.891 N/A GLY 268.A N ARG 264.A O no hydrogen 2.814 N/A LEU 269.A N PHE 265.A O no hydrogen 2.752 N/A GLN 270.A N ALA 266.A O no hydrogen 2.787 N/A ASP 271.A N LYS 267.A O no hydrogen 2.711 N/A LEU 272.A N LEU 269.A O no hydrogen 3.384 N/A ALA 273.A N GLN 270.A O no hydrogen 3.288 N/A ILE 276.A N SER 274.A OG no hydrogen 3.106 N/A SER 278.A N GLN 292.A O no hydrogen 3.060 N/A THR 283.A N ASP 280.A O no hydrogen 2.934 N/A THR 283.A OG1 ASP 280.A O no hydrogen 2.586 N/A THR 286.A OG1 GLY 148.A O no hydrogen 2.609 N/A ASN 287.A ND2 ASP 8.A OD2 no hydrogen 3.339 N/A ASN 287.A ND2 TRP 336.A O no hydrogen 3.060 N/A VAL 289.A N ALA 334.A O no hydrogen 2.864 N/A VAL 291.A N VAL 332.A O no hydrogen 2.915 N/A GLN 292.A N SER 278.A O no hydrogen 2.996 N/A VAL 293.A N GLN 330.A O no hydrogen 2.646 N/A ALA 294.A N ILE 276.A O no hydrogen 2.778 N/A GLU 300.A N PRO 297.A O no hydrogen 2.839 N/A LEU 301.A N PRO 297.A O no hydrogen 3.378 N/A CYS 302.A N PRO 298.A O no hydrogen 3.313 N/A CYS 302.A SG PRO 298.A O no hydrogen 3.515 N/A CYS 302.A SG LEU 324.A O no hydrogen 3.525 N/A GLN 303.A N SER 299.A O no hydrogen 3.101 N/A ARG 304.A N GLU 300.A O no hydrogen 3.204 N/A LEU 305.A N LEU 301.A O no hydrogen 3.100 N/A GLN 306.A N CYS 302.A O no hydrogen 3.117 N/A ALA 307.A N GLN 303.A O no hydrogen 2.950 N/A GLU 311.A N GLU 311.A OE1 no hydrogen 2.751 N/A GLU 312.A N SER 309.A O no hydrogen 3.149 N/A ALA 314.A N GLU 311.A O no hydrogen 3.032 N/A GLN 315.A N GLU 311.A O no hydrogen 3.037 N/A THR 316.A N GLU 312.A O no hydrogen 3.034 N/A THR 316.A OG1 GLU 312.A O no hydrogen 2.609 N/A GLY 317.A N GLU 312.A O no hydrogen 3.460 N/A ARG 318.A N THR 316.A OG1 no hydrogen 3.392 N/A VAL 320.A N GLU 312.A OE2 no hydrogen 2.940 N/A ARG 321.A N HIS 1.A O no hydrogen 2.967 N/A ARG 321.A NE GLN 306.A O no hydrogen 3.173 N/A VAL 322.A N LEU 305.A O no hydrogen 2.875 N/A LEU 323.A N VAL 3.A O no hydrogen 2.752 N/A TRP 327.A N SER 331.A O no hydrogen 3.003 N/A TRP 327.A NE1 SER 145.A O no hydrogen 3.261 N/A THR 328.A N SER 331.A O no hydrogen 3.248 N/A THR 328.A OG1 SER 331.A OG no hydrogen 3.055 N/A GLN 330.A N THR 328.A OG1 no hydrogen 3.011 N/A SER 331.A OG THR 328.A OG1 no hydrogen 3.055 N/A VAL 332.A N VAL 291.A O no hydrogen 2.904 N/A ARG 333.A N PHE 325.A O no hydrogen 3.087 N/A ALA 334.A N VAL 289.A O no hydrogen 3.058 N/A VAL 335.A N LEU 5.A O no hydrogen 3.106 N/A TRP 336.A N ASN 287.A O no hydrogen 2.923 N/A HIS 337.A NE2 ASP 4.A O no hydrogen 2.765 N/A ARG 338.A NH1 LEU 205.A O no hydrogen 3.260 N/A ARG 338.A NH1 GLU 250.A OE1 no hydrogen 3.110 N/A ARG 338.A NH2 GLU 250.A OE1 no hydrogen 3.209 N/A ASP 339.A N HIS 337.A ND1 no hydrogen 3.171 N/A VAL 340.A N HIS 337.A O no hydrogen 3.237 N/A ASP 344.A N SER 341.A OG no hydrogen 2.951 N/A THR 345.A N SER 341.A O no hydrogen 3.080 N/A THR 345.A OG1 SER 341.A O no hydrogen 3.048 N/A GLU 346.A N ALA 342.A O no hydrogen 3.291 N/A LEU 347.A N GLN 343.A O no hydrogen 2.857 N/A ALA 348.A N ASP 344.A O no hydrogen 2.856 N/A LEU 349.A N THR 345.A O no hydrogen 2.947 N/A LYS 350.A N GLU 346.A O no hydrogen 3.044 N/A LYS 351.A N LEU 347.A O no hydrogen 2.968 N/A LYS 351.A NZ ARG 304.A O no hydrogen 3.556 N/A LYS 351.A NZ ALA 307.A O no hydrogen 2.629 N/A LYS 351.A NZ GLU 312.A OE1 no hydrogen 2.858 N/A TRP 352.A N ALA 348.A O no hydrogen 2.689 N/A GLU 353.A N LEU 349.A O no hydrogen 2.987 N/A PHE 354.A N LYS 350.A O no hydrogen 3.177 N/A VAL 355.A N LYS 351.A O no hydrogen 3.106 N/A LEU 356.A N TRP 352.A O no hydrogen 2.861 N/A ARG 357.A N GLU 353.A O no hydrogen 2.888 N/A GLN 358.A N PHE 354.A O no hydrogen 3.103 N/A GLN 358.A NE2 PHE 354.A O no hydrogen 3.442 N/A LEU 359.A N LEU 356.A O no hydrogen 3.237 N/A ARG 360.A N ARG 357.A O no hydrogen 3.427 N/A ARG 360.A NE LEU 356.A O no hydrogen 3.199 N/A