Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xum_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A OG1 MET 1.A O no hydrogen 2.699 N/A ALA 5.A N MET 1.A O no hydrogen 2.842 N/A ALA 6.A N ALA 2.A O no hydrogen 2.845 N/A GLU 7.A N ALA 3.A O no hydrogen 3.103 N/A ALA 8.A N THR 4.A O no hydrogen 3.081 N/A VAL 9.A N ALA 5.A O no hydrogen 3.147 N/A ALA 10.A N ALA 6.A O no hydrogen 2.976 N/A SER 11.A OG VAL 9.A O no hydrogen 3.432 N/A GLY 12.A N THR 39.A O no hydrogen 3.249 N/A SER 13.A OG GLU 262.A OE1 no hydrogen 2.988 N/A GLY 14.A N SER 11.A O no hydrogen 3.064 N/A ARG 17.A NH1 VAL 264.A O no hydrogen 3.141 N/A ARG 17.A NH2 VAL 264.A O no hydrogen 2.750 N/A ALA 26.A N ARG 17.A O no hydrogen 3.163 N/A ASP 28.A N GLN 31.A OE1 no hydrogen 2.866 N/A SER 30.A N ASP 28.A OD1 no hydrogen 3.048 N/A SER 30.A OG ASP 28.A OD1 no hydrogen 2.591 N/A GLN 31.A N ASP 28.A O no hydrogen 3.012 N/A GLN 31.A NE2 LEU 285.A O no hydrogen 3.154 N/A LEU 32.A N GLU 29.A O no hydrogen 3.033 N/A ARG 33.A N GLU 282.A OE2 no hydrogen 3.143 N/A ARG 33.A NH2 GLY 193.A O no hydrogen 2.819 N/A TYR 35.A OH HIS 280.A NE2 no hydrogen 3.122 N/A TYR 35.A OH GLU 282.A OE1 no hydrogen 2.718 N/A SER 36.A OG TYR 249.A OH no hydrogen 2.989 N/A THR 39.A OG1 GLU 262.A OE2 no hydrogen 2.600 N/A ARG 40.A N GLY 260.A O no hydrogen 2.846 N/A ILE 42.A N GLU 262.A O no hydrogen 3.008 N/A ARG 44.A NH1 ASP 269.A OD1 no hydrogen 3.484 N/A ARG 44.A NH2 ASP 269.A OD2 no hydrogen 2.554 N/A LEU 45.A N VAL 63.A O no hydrogen 2.721 N/A SER 46.A OG SER 48.A OG no hydrogen 3.175 N/A SER 46.A OG ASP 66.A OD2 no hydrogen 2.935 N/A GLN 47.A N ASP 66.A OD1 no hydrogen 2.858 N/A SER 48.A N SER 46.A OG no hydrogen 3.192 N/A SER 48.A OG SER 46.A OG no hydrogen 3.175 N/A ASP 49.A N SER 46.A O no hydrogen 3.040 N/A ARG 51.A N ASP 49.A OD1 no hydrogen 2.817 N/A ARG 51.A NE.A ASP 49.A OD1 no hydrogen 3.343 N/A ARG 51.A NE.A ASP 49.A OD2 no hydrogen 3.268 N/A ARG 51.A NH2.A ASP 49.A OD2 no hydrogen 2.964 N/A ALA 52.A N ASP 49.A O no hydrogen 3.022 N/A GLU 54.A N PRO 50.A O no hydrogen 3.070 N/A LEU 55.A N ARG 51.A O no hydrogen 2.860 N/A ILE 56.A N ALA 52.A O no hydrogen 3.071 N/A GLU 57.A N GLU 53.A O no hydrogen 3.021 N/A ASN 58.A N GLU 54.A O no hydrogen 2.972 N/A GLU 59.A N ILE 56.A O no hydrogen 3.036 N/A GLU 60.A N LEU 55.A O no hydrogen 2.788 N/A VAL 63.A N PRO 43.A O no hydrogen 2.840 N/A LEU 64.A N VAL 270.A O no hydrogen 2.711 N/A THR 65.A N LEU 45.A O no hydrogen 3.013 N/A THR 65.A OG1 LEU 45.A O no hydrogen 3.505 N/A LEU 69.A N THR 67.A OG1 no hydrogen 3.033 N/A TYR 71.A N ASN 68.A O no hydrogen 3.407 N/A ALA 73.A N VAL 70.A O no hydrogen 2.820 N/A LEU 74.A N TYR 71.A O no hydrogen 3.155 N/A LYS 75.A NZ PRO 72.A O no hydrogen 2.762 N/A LYS 75.A NZ ASP 161.A OD1 no hydrogen 2.839 N/A TRP 76.A N ALA 73.A O no hydrogen 3.043 N/A TRP 76.A NE1 ASP 161.A OD2 no hydrogen 2.766 N/A TYR 80.A N ASP 77.A OD1 no hydrogen 2.855 N/A TYR 80.A OH ASP 161.A OD2 no hydrogen 2.674 N/A LEU 81.A N ASP 77.A O no hydrogen 3.032 N/A GLN 82.A N LEU 78.A O no hydrogen 2.944 N/A GLU 83.A N GLU 79.A O no hydrogen 3.126 N/A ASN 84.A N LEU 81.A O no hydrogen 3.109 N/A ASN 84.A ND2 TYR 80.A O no hydrogen 2.862 N/A ILE 85.A N LEU 81.A O no hydrogen 2.715 N/A PHE 90.A N MET 123.A O no hydrogen 2.742 N/A SER 91.A N GLN 148.A OE1 no hydrogen 2.874 N/A SER 91.A OG GLU 122.A OE1 no hydrogen 3.540 N/A SER 91.A OG GLU 122.A OE2 no hydrogen 2.639 N/A SER 91.A OG GLN 148.A OE1 no hydrogen 3.053 N/A VAL 92.A N GLU 121.A O no hydrogen 2.939 N/A TYR 93.A N TYR 145.A O no hydrogen 3.044 N/A SER 94.A N ASN 119.A O no hydrogen 2.890 N/A ALA 95.A N ARG 143.A O no hydrogen 3.066 N/A HIS 98.A NE2 ASP 245.A OD2 no hydrogen 2.856 N/A LYS 99.A N THR 97.A OG1 no hydrogen 3.359 N/A LYS 99.A NZ ASP 243.A OD1 no hydrogen 3.306 N/A LYS 99.A NZ ASP 245.A OD2 no hydrogen 2.701 N/A PHE 100.A N VAL 195.A O no hydrogen 2.718 N/A TYR 103.A OH SER 118.A O no hydrogen 2.595 N/A ASP 104.A N PRO 235.A O no hydrogen 2.780 N/A LYS 106.A N ASP 104.A OD1 no hydrogen 2.950 N/A LYS 107.A N ASP 104.A O no hydrogen 3.208 N/A LYS 107.A NZ VAL 232.A O no hydrogen 2.560 N/A ASN 110.A N LYS 107.A O no hydrogen 3.145 N/A ASN 110.A ND2 HIS 233.A O no hydrogen 3.210 N/A ASN 119.A N SER 94.A O no hydrogen 2.932 N/A ARG 120.A NE GLU 105.A OE2 no hydrogen 2.998 N/A ARG 120.A NH1 GLU 122.A OE2 no hydrogen 2.758 N/A ARG 120.A NH2 GLU 105.A OE1 no hydrogen 2.738 N/A GLU 121.A N VAL 92.A O no hydrogen 2.967 N/A MET 123.A N PHE 90.A O no hydrogen 3.097 N/A LYS 124.A N GLU 127.A OE1 no hydrogen 2.866 N/A LYS 124.A NZ ASN 87.A O no hydrogen 3.012 N/A LYS 124.A NZ ASP 89.A OD1 no hydrogen 2.846 N/A HIS 126.A ND1 GLU 130.A OE2 no hydrogen 2.650 N/A PHE 128.A N LYS 124.A O no hydrogen 3.128 N/A VAL 129.A N PHE 125.A O no hydrogen 3.107 N/A GLU 130.A N HIS 126.A O no hydrogen 2.886 N/A LYS 131.A N GLU 127.A O no hydrogen 2.809 N/A LYS 131.A NZ GLU 121.A OE1 no hydrogen 3.026 N/A LEU 132.A N PHE 128.A O no hydrogen 2.792 N/A GLN 133.A N VAL 129.A O no hydrogen 2.782 N/A ASP 134.A N GLU 130.A O no hydrogen 2.811 N/A ILE 135.A N LYS 131.A O no hydrogen 3.287 N/A GLN 136.A N LEU 132.A O no hydrogen 3.248 N/A GLN 137.A N GLN 133.A O no hydrogen 3.382 N/A ARG 138.A N ASP 134.A O no hydrogen 3.231 N/A GLY 140.A N ILE 135.A O no hydrogen 3.131 N/A ARG 143.A N ALA 95.A O no hydrogen 3.039 N/A ARG 143.A NH1 GLU 192.A O no hydrogen 2.650 N/A ARG 143.A NH1 ASN 194.A OD1 no hydrogen 3.330 N/A TYR 145.A N TYR 93.A O no hydrogen 2.900 N/A LEU 146.A N ILE 189.A O no hydrogen 2.856 N/A GLN 147.A N SER 91.A O no hydrogen 2.941 N/A GLN 148.A N LEU 187.A O no hydrogen 3.061 N/A GLN 148.A NE2 THR 149.A O no hydrogen 3.064 N/A LEU 150.A N ASN 185.A O no hydrogen 2.998 N/A THR 153.A N ASN 151.A OD1 no hydrogen 3.399 N/A THR 153.A OG1 ASN 151.A OD1 no hydrogen 2.544 N/A VAL 154.A N ASN 151.A O no hydrogen 3.326 N/A GLY 155.A N ASN 84.A O no hydrogen 3.028 N/A VAL 159.A N GLY 155.A O no hydrogen 3.054 N/A MET 160.A N ARG 156.A O no hydrogen 2.845 N/A ASP 161.A N LYS 157.A O no hydrogen 2.897 N/A PHE 162.A N ILE 158.A O no hydrogen 2.799 N/A LEU 163.A N VAL 159.A O no hydrogen 2.912 N/A GLY 164.A N MET 160.A O no hydrogen 3.268 N/A GLY 164.A N ASP 161.A O no hydrogen 3.048 N/A PHE 165.A N PHE 162.A O no hydrogen 3.153 N/A ASN 166.A N LEU 69.A O no hydrogen 2.847 N/A ASN 166.A ND2 THR 67.A O no hydrogen 2.718 N/A TRP 167.A N PHE 165.A O no hydrogen 2.904 N/A TRP 167.A NE1 PHE 162.A O no hydrogen 2.936 N/A TRP 169.A N ASN 166.A OD1 no hydrogen 3.036 N/A ILE 170.A N ASN 166.A O no hydrogen 3.371 N/A ASN 171.A N TRP 167.A O no hydrogen 2.768 N/A LYS 172.A N ASN 168.A O no hydrogen 3.191 N/A GLN 173.A N TRP 169.A O no hydrogen 3.113 N/A GLN 173.A NE2 GLU 53.A OE1 no hydrogen 2.820 N/A GLN 174.A N ILE 170.A O no hydrogen 2.854 N/A GLN 174.A NE2 GLY 180.A O no hydrogen 2.752 N/A GLY 175.A N ASN 171.A O no hydrogen 2.887 N/A LYS 176.A N LYS 172.A O no hydrogen 2.812 N/A LYS 176.A NZ GLU 53.A OE2 no hydrogen 2.688 N/A ARG 177.A N GLN 173.A O no hydrogen 3.038 N/A ARG 177.A NE GLN 173.A OE1 no hydrogen 3.288 N/A ARG 177.A NH2 GLN 173.A OE1 no hydrogen 3.108 N/A TRP 179.A N GLN 174.A O no hydrogen 3.312 N/A GLY 180.A N LYS 298.A O no hydrogen 2.776 N/A GLN 181.A NE2 LEU 182.A O no hydrogen 3.169 N/A THR 183.A N TRP 296.A O no hydrogen 2.736 N/A THR 183.A OG1 TRP 296.A O no hydrogen 3.284 N/A ASN 185.A ND2 ASN 294.A O no hydrogen 2.919 N/A LEU 186.A N ASN 294.A OD1 no hydrogen 2.776 N/A LEU 187.A N GLN 148.A O no hydrogen 2.924 N/A LEU 188.A N THR 292.A O no hydrogen 2.843 N/A ILE 189.A N LEU 146.A O no hydrogen 2.887 N/A GLY 190.A N THR 290.A O no hydrogen 3.119 N/A GLY 193.A N SER 283.A O no hydrogen 2.697 N/A ASN 194.A N MET 191.A O no hydrogen 3.057 N/A ASN 194.A ND2 LEU 144.A O no hydrogen 2.780 N/A VAL 195.A N HIS 98.A O no hydrogen 2.791 N/A THR 196.A N ILE 281.A O no hydrogen 2.706 N/A HIS 199.A N HIS 279.A O no hydrogen 3.206 N/A HIS 199.A ND1 PRO 197.A O no hydrogen 2.955 N/A TYR 200.A N ARG 238.A O no hydrogen 3.068 N/A GLN 203.A NE2 THR 183.A OG1 no hydrogen 2.632 N/A GLN 204.A N TYR 297.A O no hydrogen 2.725 N/A GLN 204.A NE2 GLU 59.A OE1 no hydrogen 2.684 N/A ASN 205.A N ILE 273.A O no hydrogen 3.317 N/A PHE 206.A N PHE 295.A O no hydrogen 3.091 N/A PHE 207.A N LEU 271.A O no hydrogen 2.840 N/A ALA 208.A N VAL 293.A O no hydrogen 2.930 N/A GLN 209.A N ASP 269.A O no hydrogen 2.940 N/A GLN 209.A NE2 GLY 212.A O no hydrogen 3.122 N/A ILE 210.A N ILE 291.A O no hydrogen 2.913 N/A LYS 211.A N ILE 291.A O no hydrogen 3.066 N/A LYS 214.A N VAL 265.A O no hydrogen 3.028 N/A LYS 214.A NZ TYR 145.A OH no hydrogen 3.037 N/A LYS 214.A NZ THR 292.A OG1 no hydrogen 2.759 N/A ARG 215.A N GLU 282.A O no hydrogen 2.934 N/A ARG 215.A NE GLU 262.A OE1 no hydrogen 2.771 N/A ARG 215.A NH1 ARG 33.A O no hydrogen 2.796 N/A ARG 215.A NH1 GLU 282.A OE2 no hydrogen 2.993 N/A ARG 215.A NH2 GLU 262.A OE1 no hydrogen 3.492 N/A ARG 215.A NH2 GLU 262.A OE2 no hydrogen 3.291 N/A CYS 216.A N THR 263.A O no hydrogen 2.823 N/A ILE 217.A N HIS 280.A O no hydrogen 2.817 N/A LEU 218.A N TYR 261.A O no hydrogen 2.731 N/A PHE 219.A N TRP 278.A O no hydrogen 2.921 N/A GLN 223.A N PRO 220.A O no hydrogen 3.016 N/A GLN 223.A NE2 VAL 259.A O no hydrogen 2.910 N/A PHE 224.A N PRO 221.A O no hydrogen 3.247 N/A GLU 225.A N GLU 225.A OE1.A no hydrogen 2.731 N/A CYS 226.A N GLN 223.A O no hydrogen 2.900 N/A CYS 226.A SG ASN 254.A O no hydrogen 3.298 N/A LEU 227.A N PHE 224.A O no hydrogen 3.207 N/A TYR 228.A N PHE 224.A O no hydrogen 3.385 N/A TYR 230.A N HIS 239.A O no hydrogen 3.039 N/A VAL 232.A N GLU 323.A OE1 no hydrogen 3.118 N/A HIS 233.A NE2 GLU 323.A O no hydrogen 3.058 N/A HIS 234.A N PRO 231.A O no hydrogen 2.998 N/A CYS 236.A N HIS 234.A ND1 no hydrogen 2.991 N/A CYS 236.A SG TYR 102.A O no hydrogen 3.551 N/A ASP 237.A N HIS 234.A O no hydrogen 3.006 N/A ARG 238.A NH1 TYR 200.A O no hydrogen 2.839 N/A HIS 239.A N CYS 236.A O no hydrogen 2.907 N/A SER 240.A N ALA 198.A O no hydrogen 2.948 N/A SER 240.A OG LEU 227.A O no hydrogen 2.553 N/A GLN 241.A N TYR 228.A O no hydrogen 3.029 N/A GLN 241.A NE2 TYR 228.A O no hydrogen 3.025 N/A GLN 241.A NE2 PRO 229.A O no hydrogen 3.350 N/A VAL 242.A N SER 240.A OG no hydrogen 3.173 N/A ASP 245.A N ASP 243.A OD1 no hydrogen 2.955 N/A ASN 246.A N ASP 243.A O no hydrogen 3.086 N/A TYR 249.A OH SER 36.A OG no hydrogen 2.989 N/A GLU 250.A N ASP 248.A OD1 no hydrogen 3.231 N/A ARG 251.A N ASP 248.A OD1 no hydrogen 3.358 N/A PHE 252.A N ASP 248.A O no hydrogen 2.706 N/A ASN 254.A N TYR 228.A OH no hydrogen 2.933 N/A ASN 254.A ND2 ASN 257.A OD1 no hydrogen 2.887 N/A PHE 255.A N PHE 252.A O no hydrogen 3.099 N/A GLN 256.A N PRO 253.A O no hydrogen 3.176 N/A GLN 256.A NE2 PRO 253.A O no hydrogen 2.729 N/A ASN 257.A N ASN 254.A O no hydrogen 2.981 N/A VAL 258.A N PHE 255.A O no hydrogen 3.397 N/A VAL 259.A N GLN 223.A OE1 no hydrogen 3.041 N/A GLY 260.A N PRO 38.A O no hydrogen 3.085 N/A TYR 261.A N LEU 218.A O no hydrogen 2.743 N/A GLU 262.A N ARG 40.A O no hydrogen 2.792 N/A THR 263.A N CYS 216.A O no hydrogen 3.128 N/A VAL 265.A N LYS 214.A O no hydrogen 2.871 N/A GLY 266.A N ASP 269.A OD2 no hydrogen 2.739 N/A GLY 268.A N GLN 209.A O no hydrogen 2.959 N/A ASP 269.A N GLY 266.A O no hydrogen 3.018 N/A VAL 270.A N LEU 64.A O no hydrogen 2.927 N/A LEU 271.A N PHE 207.A O no hydrogen 2.915 N/A TYR 272.A N VAL 62.A O no hydrogen 2.920 N/A TYR 272.A OH GLN 204.A OE1 no hydrogen 2.858 N/A ILE 273.A N ASN 205.A O no hydrogen 2.933 N/A MET 275.A N GLN 204.A OE1 no hydrogen 2.832 N/A TYR 276.A N ASP 201.A O no hydrogen 3.127 N/A TRP 277.A N PRO 274.A O no hydrogen 3.010 N/A TRP 278.A N PHE 219.A O no hydrogen 2.959 N/A HIS 279.A N HIS 199.A O no hydrogen 2.819 N/A HIS 279.A ND1 TRP 277.A O no hydrogen 2.767 N/A HIS 279.A NE2 ASP 201.A OD2 no hydrogen 2.797 N/A HIS 280.A N ILE 217.A O no hydrogen 2.765 N/A HIS 280.A NE2 GLU 282.A OE1 no hydrogen 2.770 N/A ILE 281.A N THR 196.A O no hydrogen 2.916 N/A GLU 282.A N ARG 215.A O no hydrogen 3.020 N/A SER 283.A N ASN 194.A O no hydrogen 2.906 N/A SER 283.A OG THR 290.A OG1 no hydrogen 2.646 N/A LEU 284.A N TYR 213.A O no hydrogen 3.290 N/A LEU 285.A N GLN 31.A O no hydrogen 3.079 N/A GLY 287.A N LEU 284.A O no hydrogen 3.155 N/A GLY 288.A N GLU 192.A OE1 no hydrogen 2.942 N/A THR 290.A N GLY 190.A O no hydrogen 3.064 N/A THR 290.A OG1 SER 283.A OG no hydrogen 2.646 N/A ILE 291.A N LYS 211.A O no hydrogen 2.893 N/A THR 292.A N LEU 188.A O no hydrogen 2.986 N/A THR 292.A OG1 GLN 209.A OE1 no hydrogen 2.733 N/A VAL 293.A N ALA 208.A O no hydrogen 3.002 N/A ASN 294.A N LEU 186.A O no hydrogen 3.049 N/A PHE 295.A N PHE 206.A O no hydrogen 2.828 N/A TRP 296.A N SER 184.A O no hydrogen 3.070 N/A TYR 297.A N GLN 204.A O no hydrogen 2.782 N/A LYS 298.A N GLN 181.A O no hydrogen 3.142 N/A LYS 311.A N GLN 314.A OE1 no hydrogen 2.844 N/A GLN 314.A N LYS 311.A O no hydrogen 3.047 N/A LYS 315.A N LYS 311.A O no hydrogen 3.236 N/A LYS 315.A NZ LEU 310.A O no hydrogen 3.298 N/A VAL 316.A N ALA 312.A O no hydrogen 3.079 N/A ALA 317.A N HIS 313.A O no hydrogen 2.959 N/A ILE 318.A N GLN 314.A O no hydrogen 2.896 N/A MET 319.A N LYS 315.A O no hydrogen 2.944 N/A ARG 320.A N VAL 316.A O no hydrogen 2.964 N/A ARG 320.A NH1 TYR 200.A OH no hydrogen 2.997 N/A ARG 320.A NH1 ASP 237.A OD1 no hydrogen 2.828 N/A ARG 320.A NH1 ASP 237.A OD2 no hydrogen 3.555 N/A ARG 320.A NH2 ASP 237.A OD2 no hydrogen 2.851 N/A ASN 321.A N ALA 317.A O no hydrogen 3.020 N/A ILE 322.A N ILE 318.A O no hydrogen 2.925 N/A GLU 323.A N MET 319.A O no hydrogen 3.053 N/A LYS 324.A N ARG 320.A O no hydrogen 2.976 N/A MET 325.A N ASN 321.A O no hydrogen 2.844 N/A LEU 326.A N ILE 322.A O no hydrogen 3.053 N/A GLY 327.A N GLU 323.A O no hydrogen 3.041 N/A GLU 328.A N LYS 324.A O no hydrogen 3.060 N/A ALA 329.A N MET 325.A O no hydrogen 2.833 N/A LEU 330.A N LEU 326.A O no hydrogen 2.892 N/A GLY 331.A N GLU 328.A O no hydrogen 3.245 N/A GLU 335.A N ASN 332.A O no hydrogen 3.031 N/A VAL 336.A N PRO 333.A O no hydrogen 3.225 N/A LEU 339.A N GLU 335.A O no hydrogen 3.206 N/A LEU 340.A N VAL 336.A O no hydrogen 2.954 N/A ASN 341.A N GLY 337.A O no hydrogen 2.893 N/A ASN 341.A ND2 GLY 337.A O no hydrogen 3.172 N/A THR 342.A N PRO 338.A O no hydrogen 3.034 N/A THR 342.A OG1 PRO 338.A O no hydrogen 2.882 N/A MET 343.A N LEU 339.A O no hydrogen 2.935 N/A ILE 344.A N LEU 340.A O no hydrogen 3.158 N/A ILE 344.A N ASN 341.A O no hydrogen 3.158 N/A LYS 345.A N ASN 341.A O no hydrogen 2.884 N/A GLY 346.A N ASN 349.A OD1 no hydrogen 3.137 N/A ARG 347.A N ILE 344.A O no hydrogen 2.794 N/A ARG 347.A NE MET 343.A O no hydrogen 3.002 N/A ARG 347.A NH2 MET 343.A O no hydrogen 2.915 N/A TYR 348.A N ILE 344.A O no hydrogen 2.767 N/A