Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u82_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 4.A N ASN 104.A O no hydrogen 2.664 N/A GLY 6.A N THR 106.A O no hydrogen 3.202 N/A ILE 8.A N MET 108.A O no hydrogen 2.872 N/A GLY 9.A N LEU 79.A O no hydrogen 2.913 N/A THR 10.A N PHE 7.A O no hydrogen 3.066 N/A THR 10.A OG1 PHE 7.A O no hydrogen 2.608 N/A VAL 12.A N LEU 76.A O no hydrogen 2.946 N/A LEU 14.A N ILE 74.A O no hydrogen 2.686 N/A HIS 15.A NE2.A SER 17.A OG no hydrogen 2.878 N/A CYS 16.A N THR 73.A OG1 no hydrogen 3.257 N/A SER 17.A OG HIS 15.A NE2.A no hydrogen 2.878 N/A PHE 18.A N THR 70.A O no hydrogen 2.710 N/A LYS 26.A N PHE 94.A O no hydrogen 2.879 N/A THR 28.A N ALA 92.A O no hydrogen 2.652 N/A GLN 29.A N ALA 92.A O no hydrogen 3.431 N/A VAL 30.A N TYR 46.A O no hydrogen 2.805 N/A THR 31.A N GLU 90.A O no hydrogen 2.853 N/A TRP 32.A N ALA 44.A O no hydrogen 2.849 N/A TRP 32.A NE1 GLY 72.A O no hydrogen 2.638 N/A GLN 33.A N ILE 88.A O no hydrogen 2.799 N/A GLN 33.A NE2 ASN 42.A OD1 no hydrogen 3.261 N/A LYS 34.A N GLN 41.A O no hydrogen 2.801 N/A LYS 34.A NZ GLU 82.A O no hydrogen 2.651 N/A LYS 34.A NZ GLU 84.A O no hydrogen 3.391 N/A SER 35.A N VAL 86.A O no hydrogen 2.849 N/A GLY 38.A N THR 36.A O no hydrogen 2.889 N/A SER 39.A N THR 36.A O no hydrogen 3.353 N/A SER 39.A OG THR 36.A O no hydrogen 3.511 N/A LYS 40.A NZ GLN 33.A OE1 no hydrogen 3.055 N/A GLN 41.A N LYS 34.A O no hydrogen 2.864 N/A VAL 43.A N TRP 32.A O no hydrogen 2.842 N/A ALA 44.A N TRP 32.A O no hydrogen 3.406 N/A ILE 45.A N SER 53.A O no hydrogen 2.681 N/A TYR 46.A N VAL 30.A O no hydrogen 2.814 N/A ASN 47.A N GLY 51.A O no hydrogen 2.889 N/A ASN 47.A ND2 GLN 29.A OE1 no hydrogen 3.008 N/A SER 49.A N ASN 47.A OD1 no hydrogen 2.780 N/A MET 50.A N ASN 47.A O no hydrogen 3.029 N/A MET 50.A N ASN 47.A OD1 no hydrogen 3.235 N/A GLY 51.A N ASN 47.A O no hydrogen 2.631 N/A SER 53.A N ILE 45.A O no hydrogen 2.750 N/A LEU 55.A N VAL 43.A O no hydrogen 3.047 N/A TYR 58.A N LEU 55.A O no hydrogen 2.797 N/A TYR 58.A OH GLN 41.A OE1 no hydrogen 3.286 N/A ARG 61.A N TYR 58.A O no hydrogen 3.097 N/A ARG 61.A NE SER 77.A O no hydrogen 3.126 N/A ARG 61.A NH1 ASP 83.A OD1 no hydrogen 3.389 N/A ARG 61.A NH2 SER 77.A O no hydrogen 3.159 N/A ARG 61.A NH2 ARG 78.A O no hydrogen 3.243 N/A ARG 61.A NH2 ASP 83.A OD1 no hydrogen 3.316 N/A ARG 61.A NH2 ASP 83.A OD2 no hydrogen 2.493 N/A VAL 62.A N TYR 58.A O no hydrogen 3.005 N/A GLU 63.A N ARG 75.A O no hydrogen 3.358 N/A LEU 65.A N THR 73.A O no hydrogen 3.064 N/A SER 68.A N ASP 71.A O no hydrogen 3.318 N/A SER 68.A OG THR 70.A OG1 no hydrogen 3.418 N/A THR 70.A N SER 68.A OG no hydrogen 3.204 N/A THR 70.A OG1 SER 68.A OG no hydrogen 3.418 N/A ASP 71.A N SER 68.A OG no hydrogen 2.995 N/A GLY 72.A N CYS 16.A O no hydrogen 2.635 N/A THR 73.A N ASP 71.A OD1 no hydrogen 2.907 N/A THR 73.A OG1 HIS 15.A ND1.B no hydrogen 3.401 N/A THR 73.A OG1 ASP 71.A OD1 no hydrogen 2.749 N/A ILE 74.A N LEU 14.A O no hydrogen 3.084 N/A ARG 75.A N GLU 63.A O no hydrogen 2.944 N/A LEU 76.A N VAL 12.A O no hydrogen 2.780 N/A SER 77.A N ARG 61.A O no hydrogen 2.767 N/A ARG 78.A N ASP 11.A OD1 no hydrogen 2.859 N/A ARG 78.A NH2 GLU 60.A O no hydrogen 2.836 N/A LEU 79.A N THR 10.A O no hydrogen 2.774 N/A GLU 80.A N ASP 83.A OD2 no hydrogen 2.627 N/A ASP 83.A N GLU 80.A O no hydrogen 2.714 N/A GLU 84.A N LEU 81.A O no hydrogen 3.333 N/A GLY 85.A N LEU 105.A O no hydrogen 3.130 N/A TYR 87.A N LEU 103.A O no hydrogen 2.867 N/A TYR 87.A OH ASP 83.A O no hydrogen 2.523 N/A ILE 88.A N GLN 33.A O no hydrogen 2.850 N/A CYS 89.A N SER 101.A O no hydrogen 2.859 N/A GLU 90.A N THR 31.A O no hydrogen 2.811 N/A PHE 91.A N ARG 99.A O no hydrogen 2.768 N/A ALA 92.A N GLN 29.A O no hydrogen 2.904 N/A THR 93.A N GLY 97.A O no hydrogen 2.992 N/A THR 93.A OG1 THR 96.A OG1 no hydrogen 2.781 N/A THR 93.A OG1 GLY 97.A O no hydrogen 2.653 N/A PHE 94.A N LYS 26.A O no hydrogen 2.810 N/A THR 96.A OG1 THR 93.A OG1 no hydrogen 2.781 N/A GLY 97.A N THR 93.A O no hydrogen 2.969 N/A ARG 99.A N PHE 91.A O no hydrogen 2.859 N/A SER 101.A N CYS 89.A O no hydrogen 2.932 N/A GLN 102.A NE2 GLU 100.A OE1 no hydrogen 3.009 N/A LEU 103.A N TYR 87.A O no hydrogen 3.066 N/A ASN 104.A N ASP 2.A O no hydrogen 2.864 N/A ASN 104.A ND2 ASN 1.A OD1 no hydrogen 3.432 N/A ASN 104.A ND2 ASP 2.A O no hydrogen 3.417 N/A LEU 105.A N GLY 85.A O no hydrogen 2.799 N/A THR 106.A N MET 4.A O no hydrogen 2.895 N/A VAL 107.A N GLU 84.A OE2 no hydrogen 2.966 N/A MET 108.A N GLY 6.A O no hydrogen 2.725 N/A ALA 109.A N LYS 143.A O no hydrogen 2.622 N/A LYS 110.A NZ ASP 198.A OD2 no hydrogen 3.185 N/A THR 112.A N ALA 140.A O no hydrogen 2.967 N/A TRP 114.A N THR 138.A O no hydrogen 3.073 N/A ILE 115.A N GLU 202.A OE2 no hydrogen 3.250 N/A GLU 116.A N THR 136.A O no hydrogen 2.934 N/A THR 118.A OG1 ALA 120.A O no hydrogen 3.566 N/A ALA 124.A N GLN 209.A O no hydrogen 2.671 N/A GLN 128.A N LYS 125.A O no hydrogen 2.847 N/A LYS 131.A NZ GLU 157.A OE2 no hydrogen 3.105 N/A VAL 132.A N LEU 178.A O no hydrogen 2.947 N/A VAL 134.A N TYR 176.A O no hydrogen 2.864 N/A THR 136.A N GLU 116.A O no hydrogen 2.781 N/A CYS 137.A N SER 174.A O no hydrogen 2.800 N/A THR 138.A N TRP 114.A O no hydrogen 3.031 N/A SER 139.A N VAL 172.A O no hydrogen 2.743 N/A SER 139.A OG ASN 113.A OD1 no hydrogen 2.683 N/A SER 139.A OG SER 146.A OG no hydrogen 2.458 N/A ALA 140.A N THR 112.A O no hydrogen 2.844 N/A ASN 141.A N THR 171.A OG1 no hydrogen 3.047 N/A GLY 142.A N VAL 170.A O no hydrogen 3.105 N/A LYS 143.A N ALA 109.A O no hydrogen 3.096 N/A LYS 143.A NZ GLU 84.A OE2 no hydrogen 2.797 N/A SER 146.A OG SER 139.A OG no hydrogen 2.458 N/A VAL 147.A N ASN 194.A O no hydrogen 2.865 N/A SER 149.A N ILE 192.A O no hydrogen 2.854 N/A TRP 150.A NE1 SER 174.A OG no hydrogen 2.851 N/A GLU 151.A N ALA 190.A O no hydrogen 2.799 N/A THR 152.A OG1 SER 188.A O no hydrogen 2.768 N/A LEU 154.A N THR 152.A OG1 no hydrogen 3.000 N/A GLY 156.A N TYR 176.A OH no hydrogen 3.128 N/A GLU 157.A N ARG 177.A O no hydrogen 2.878 N/A GLU 159.A N ARG 175.A O no hydrogen 2.866 N/A GLN 161.A N ILE 173.A O no hydrogen 2.762 N/A ILE 163.A N THR 171.A O no hydrogen 2.811 N/A ARG 164.A NE GLY 168.A O no hydrogen 3.465 N/A ASN 165.A N THR 169.A O no hydrogen 2.911 N/A ASN 165.A ND2 THR 169.A OG1 no hydrogen 2.923 N/A ASN 165.A ND2 THR 171.A OG1 no hydrogen 3.332 N/A GLY 168.A N ASN 165.A O no hydrogen 3.008 N/A THR 169.A N ASN 167.A OD1 no hydrogen 2.876 N/A THR 169.A OG1 ASN 167.A OD1 no hydrogen 2.700 N/A VAL 170.A N GLY 142.A O no hydrogen 2.681 N/A THR 171.A N ILE 163.A O no hydrogen 2.886 N/A VAL 172.A N SER 139.A O no hydrogen 2.811 N/A ILE 173.A N GLN 161.A O no hydrogen 2.830 N/A SER 174.A N CYS 137.A O no hydrogen 2.811 N/A SER 174.A OG GLU 159.A O no hydrogen 2.975 N/A ARG 175.A N GLU 159.A O no hydrogen 2.857 N/A ARG 175.A NE GLU 159.A OE1 no hydrogen 3.001 N/A ARG 175.A NH2 GLN 161.A OE1 no hydrogen 2.391 N/A TYR 176.A N ALA 135.A O no hydrogen 2.882 N/A TYR 176.A OH LEU 154.A O no hydrogen 3.350 N/A ARG 177.A N GLU 157.A O no hydrogen 3.037 N/A ARG 177.A NH1 GLU 159.A OE2 no hydrogen 3.154 N/A ARG 177.A NH2 GLU 159.A OE1 no hydrogen 3.552 N/A ARG 177.A NH2 GLU 159.A OE2 no hydrogen 3.083 N/A LEU 178.A N VAL 132.A O no hydrogen 2.957 N/A ARG 182.A NE ASP 237.A OD2 no hydrogen 2.782 N/A ARG 182.A NH1 ARG 182.A O no hydrogen 3.470 N/A ARG 182.A NH2 ASP 237.A OD2 no hydrogen 3.034 N/A ALA 184.A N SER 181.A O no hydrogen 3.112 N/A ALA 184.A N SER 181.A OG no hydrogen 3.311 N/A HIS 185.A N ARG 182.A O no hydrogen 3.251 N/A GLN 186.A N LEU 206.A O no hydrogen 2.669 N/A GLN 187.A N ALA 184.A O no hydrogen 3.080 N/A LEU 189.A N LEU 204.A O no hydrogen 2.835 N/A ALA 190.A N GLU 151.A O no hydrogen 2.935 N/A CYS 191.A N GLU 202.A O no hydrogen 3.000 N/A ILE 192.A N SER 149.A O no hydrogen 2.801 N/A VAL 193.A N PHE 200.A O no hydrogen 2.969 N/A ASN 194.A N VAL 147.A O no hydrogen 2.783 N/A ASN 194.A ND2 ASP 198.A O no hydrogen 3.579 N/A TYR 195.A N ASP 198.A O no hydrogen 3.344 N/A TYR 195.A OH LYS 143.A O no hydrogen 2.738 N/A ASP 198.A N TYR 195.A O no hydrogen 2.770 N/A PHE 200.A N VAL 193.A O no hydrogen 2.969 N/A LYS 201.A NZ GLU 151.A OE1 no hydrogen 3.548 N/A GLU 202.A N CYS 191.A O no hydrogen 3.286 N/A LEU 204.A N LEU 189.A O no hydrogen 2.967 N/A LEU 206.A N GLN 187.A O no hydrogen 2.840 N/A GLN 209.A N LEU 122.A O no hydrogen 2.864 N/A GLU 213.A N ASP 237.A O no hydrogen 2.844 N/A THR 215.A N LYS 235.A O no hydrogen 2.933 N/A GLU 217.A N THR 233.A O no hydrogen 2.936 N/A ASN 222.A N ASP 220.A OD1 no hydrogen 2.876 N/A TYR 224.A N ASN 222.A O no hydrogen 2.903 N/A LEU 225.A N THR 299.A O no hydrogen 3.073 N/A GLN 226.A N ILE 271.A O no hydrogen 2.692 N/A ARG 227.A N TYR 224.A O no hydrogen 2.963 N/A ARG 227.A NE ASN 222.A O no hydrogen 3.466 N/A ARG 227.A NH2 ASP 220.A OD2 no hydrogen 2.867 N/A ARG 227.A NH2 ASN 222.A O no hydrogen 3.172 N/A ASP 229.A N LYS 268.A O no hydrogen 2.867 N/A VAL 230.A N PHE 267.A O no hydrogen 2.996 N/A LEU 232.A N LEU 265.A O no hydrogen 2.869 N/A THR 233.A N GLU 217.A O no hydrogen 2.836 N/A CYS 234.A N ARG 263.A O no hydrogen 2.775 N/A LYS 235.A N THR 215.A O no hydrogen 2.820 N/A LYS 235.A NZ GLU 217.A OE1 no hydrogen 3.358 N/A LYS 235.A NZ GLU 217.A OE2 no hydrogen 3.435 N/A ASP 237.A N GLU 213.A O no hydrogen 2.981 N/A THR 243.A N THR 284.A O no hydrogen 2.651 N/A HIS 246.A N GLU 282.A O no hydrogen 2.944 N/A TRP 247.A NE1 ASN 262.A O no hydrogen 2.956 N/A THR 248.A N ILE 280.A O no hydrogen 2.970 N/A THR 249.A OG1 SER 253.A O no hydrogen 2.629 N/A LEU 250.A N THR 278.A O no hydrogen 3.163 N/A VAL 258.A N PRO 255.A O no hydrogen 3.170 N/A GLU 259.A N PHE 266.A O no hydrogen 3.002 N/A GLN 261.A N THR 264.A O no hydrogen 2.819 N/A GLN 261.A NE2 ALA 260.A O no hydrogen 2.955 N/A THR 264.A N GLN 261.A O no hydrogen 2.889 N/A LEU 265.A N LEU 232.A O no hydrogen 2.855 N/A PHE 266.A N GLU 259.A O no hydrogen 2.702 N/A PHE 267.A N VAL 230.A O no hydrogen 2.701 N/A ILE 271.A N ARG 227.A O no hydrogen 2.848 N/A ASN 272.A ND2 SER 274.A OG no hydrogen 2.775 N/A LEU 275.A N ASN 272.A O no hydrogen 2.970 N/A ALA 276.A N TYR 273.A O no hydrogen 3.032 N/A GLY 277.A N VAL 296.A O no hydrogen 2.972 N/A TYR 279.A N VAL 294.A O no hydrogen 2.903 N/A TYR 279.A OH LEU 275.A O no hydrogen 2.522 N/A ILE 280.A N THR 248.A O no hydrogen 2.782 N/A CYS 281.A N GLY 292.A O no hydrogen 2.833 N/A GLU 282.A N HIS 246.A O no hydrogen 2.792 N/A ALA 283.A N ARG 290.A O no hydrogen 2.842 N/A THR 284.A N GLU 244.A O no hydrogen 3.115 N/A THR 284.A OG1 THR 289.A OG1 no hydrogen 2.756 N/A ASN 285.A N GLY 288.A O no hydrogen 3.064 N/A ASN 285.A ND2 TYR 210.A O no hydrogen 3.624 N/A ASN 285.A ND2 PRO 240.A O no hydrogen 2.742 N/A ILE 287.A N ASN 285.A OD1 no hydrogen 2.912 N/A GLY 288.A N ASN 285.A O no hydrogen 3.221 N/A GLY 288.A N ASN 285.A OD1 no hydrogen 3.070 N/A THR 289.A OG1 THR 284.A OG1 no hydrogen 2.756 N/A ARG 290.A N ALA 283.A O no hydrogen 3.046 N/A GLY 292.A N CYS 281.A O no hydrogen 2.767 N/A VAL 294.A N TYR 279.A O no hydrogen 2.996 N/A VAL 296.A N GLY 277.A O no hydrogen 2.773 N/A THR 299.A N TRP 223.A O no hydrogen 3.245 N/A