Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3tac_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 5.A N GLN 1.A O no hydrogen 3.106 N/A ARG 6.A NE GLU 3.A OE1 no hydrogen 3.334 N/A ARG 7.A N LYS 4.A O no hydrogen 3.243 N/A LEU 8.A N LYS 4.A O no hydrogen 3.137 N/A LYS 9.A N ASP 5.A O no hydrogen 3.428 N/A LYS 11.A N LEU 8.A O no hydrogen 3.071 N/A LYS 11.A NZ GLU 38.A OE1 no hydrogen 2.691 N/A LYS 11.A NZ GLU 38.A OE2 no hydrogen 3.325 N/A HIS 12.A N LEU 8.A O no hydrogen 3.161 N/A GLU 13.A N LYS 9.A O no hydrogen 2.958 N/A LEU 14.A N LYS 10.A O no hydrogen 2.922 N/A LEU 15.A N LYS 11.A O no hydrogen 3.236 N/A GLU 16.A N HIS 12.A O no hydrogen 2.940 N/A GLU 17.A N GLU 13.A O no hydrogen 2.764 N/A ALA 18.A N LEU 14.A O no hydrogen 3.056 N/A ARG 19.A N LEU 15.A O no hydrogen 3.077 N/A ARG 19.A NH2 LEU 94.A O no hydrogen 3.536 N/A ARG 20.A N GLU 16.A O no hydrogen 3.011 N/A LYS 21.A N GLU 17.A O no hydrogen 2.849 N/A GLY 22.A N ARG 19.A O no hydrogen 3.209 N/A LEU 23.A N ALA 18.A O no hydrogen 3.114 N/A PHE 25.A N THR 95.A OG1 no hydrogen 2.954 N/A GLN 27.A N PRO 24.A O no hydrogen 2.812 N/A TRP 28.A N PHE 25.A O no hydrogen 2.996 N/A TRP 28.A NE1 LEU 23.A O no hydrogen 2.883 N/A THR 32.A N ASP 29.A OD1 no hydrogen 3.064 N/A THR 32.A OG1 ASP 29.A OD1 no hydrogen 2.776 N/A VAL 33.A N ASP 29.A O no hydrogen 3.037 N/A VAL 34.A N GLY 30.A O no hydrogen 2.925 N/A ALA 35.A N PRO 31.A O no hydrogen 2.780 N/A TRP 36.A N THR 32.A O no hydrogen 2.908 N/A LEU 37.A N VAL 33.A O no hydrogen 2.979 N/A GLU 38.A N VAL 34.A O no hydrogen 3.079 N/A LEU 39.A N ALA 35.A O no hydrogen 2.813 N/A TRP 40.A N TRP 36.A O no hydrogen 2.840 N/A LEU 41.A N TRP 36.A O no hydrogen 2.946 N/A MET 43.A N LEU 37.A O no hydrogen 2.967 N/A TYR 47.A N PRO 44.A O no hydrogen 3.131 N/A TYR 47.A OH HIS 80.A O no hydrogen 2.637 N/A VAL 48.A N PRO 44.A O no hydrogen 3.197 N/A ALA 49.A N ALA 45.A O no hydrogen 2.967 N/A ALA 50.A N TRP 46.A O no hydrogen 3.086 N/A CYS 51.A N TYR 47.A O no hydrogen 2.973 N/A CYS 51.A SG TYR 47.A O no hydrogen 3.452 N/A ARG 52.A N VAL 48.A O no hydrogen 2.902 N/A ALA 53.A N ALA 49.A O no hydrogen 3.154 N/A ASN 54.A N CYS 51.A O no hydrogen 3.020 N/A ASN 54.A ND2 ALA 50.A O no hydrogen 2.915 N/A VAL 55.A N CYS 51.A O no hydrogen 2.648 N/A GLY 58.A N TRP 28.A O no hydrogen 3.030 N/A MET 61.A N SER 57.A O no hydrogen 2.887 N/A SER 62.A N GLY 58.A O no hydrogen 2.666 N/A SER 62.A OG GLY 58.A O no hydrogen 3.439 N/A SER 62.A OG ALA 59.A O no hydrogen 2.786 N/A ALA 63.A N ILE 60.A O no hydrogen 3.199 N/A LEU 64.A N MET 61.A O no hydrogen 3.311 N/A SER 65.A N GLU 68.A OE1 no hydrogen 2.931 N/A GLU 68.A N SER 65.A OG no hydrogen 3.143 N/A ILE 69.A N SER 65.A O no hydrogen 2.976 N/A GLN 70.A N ASP 66.A O no hydrogen 2.884 N/A ARG 71.A N THR 67.A O no hydrogen 2.726 N/A GLU 72.A N GLU 68.A O no hydrogen 2.713 N/A ILE 73.A N GLU 68.A O no hydrogen 3.221 N/A GLY 74.A N ILE 69.A O no hydrogen 3.105 N/A ILE 75.A N ILE 69.A O no hydrogen 3.302 N/A LEU 79.A N ASN 77.A OD1 no hydrogen 2.864 N/A HIS 80.A NE2 GLU 153.A O no hydrogen 2.824 N/A ARG 81.A N ASN 77.A O no hydrogen 3.194 N/A ARG 81.A NE ASP 66.A OD1 no hydrogen 3.422 N/A ARG 81.A NE ASP 66.A OD2 no hydrogen 3.231 N/A ARG 81.A NH1 ILE 75.A O no hydrogen 2.915 N/A ARG 81.A NH1 SER 76.A O no hydrogen 2.854 N/A LEU 82.A N PRO 78.A O no hydrogen 2.959 N/A LYS 83.A N LEU 79.A O no hydrogen 3.040 N/A LYS 83.A NZ LEU 155.A O no hydrogen 2.875 N/A LYS 83.A NZ ASP 157.A OD2 no hydrogen 2.877 N/A ARG 85.A N ARG 81.A O no hydrogen 2.975 N/A ARG 85.A NH1 LEU 64.A O no hydrogen 2.793 N/A LEU 86.A N LEU 82.A O no hydrogen 2.850 N/A ALA 87.A N LYS 83.A O no hydrogen 3.176 N/A ILE 88.A N LEU 84.A O no hydrogen 2.927 N/A GLN 89.A N ARG 85.A O no hydrogen 3.147 N/A GLU 90.A N LEU 86.A O no hydrogen 3.063 N/A MET 91.A N ALA 87.A O no hydrogen 3.032 N/A VAL 92.A N ILE 88.A O no hydrogen 2.851 N/A SER 93.A N GLN 89.A O no hydrogen 2.993 N/A SER 93.A OG GLN 89.A O no hydrogen 3.154 N/A LEU 94.A N GLU 90.A O no hydrogen 2.909 N/A THR 95.A N MET 91.A O no hydrogen 3.204 N/A THR 95.A OG1 MET 91.A O no hydrogen 2.713 N/A SER 96.A N SER 93.A O no hydrogen 3.318 N/A SER 96.A OG VAL 92.A O no hydrogen 3.297 N/A SER 96.A OG SER 93.A O no hydrogen 3.379 N/A SER 103.A N PRO 100.A O no hydrogen 2.518 N/A THR 113.A N GLU 116.A OE1 no hydrogen 2.742 N/A GLU 116.A N THR 113.A OG1 no hydrogen 3.113 N/A MET 117.A N THR 113.A O no hydrogen 2.864 N/A GLU 118.A N HIS 114.A O no hydrogen 2.946 N/A ASN 119.A N GLU 115.A O no hydrogen 2.868 N/A LEU 120.A N GLU 116.A O no hydrogen 2.958 N/A ALA 121.A N MET 117.A O no hydrogen 2.937 N/A ALA 122.A N GLU 118.A O no hydrogen 3.033 N/A GLN 123.A N ASN 119.A O no hydrogen 3.344 N/A ALA 124.A N LEU 120.A O no hydrogen 3.044 N/A LYS 125.A N ALA 121.A O no hydrogen 2.994 N/A THR 126.A N GLN 123.A O no hydrogen 3.384 N/A THR 126.A OG1 ALA 122.A O no hydrogen 2.970 N/A LYS 127.A N ALA 124.A O no hydrogen 3.296 N/A MET 129.A N ASP 128.A OD1 no hydrogen 2.829 N/A ASN 130.A ND2 TRP 40.A O no hydrogen 3.192 N/A ILE 134.A N ASN 130.A O no hydrogen 3.047 N/A GLY 135.A N HIS 131.A O no hydrogen 2.969 N/A ASN 136.A N GLU 132.A O no hydrogen 2.879 N/A GLU 137.A N TRP 133.A O no hydrogen 2.943 N/A TRP 138.A N TRP 133.A O no hydrogen 2.972 N/A LEU 139.A N ILE 134.A O no hydrogen 2.866 N/A SER 141.A N GLU 137.A O no hydrogen 3.119 N/A SER 141.A OG TRP 138.A O no hydrogen 2.604 N/A LEU 142.A N TRP 138.A O no hydrogen 3.162 N/A LEU 142.A N LEU 139.A O no hydrogen 3.090 N/A GLY 143.A N PRO 140.A O no hydrogen 2.919 N/A LEU 144.A N LEU 139.A O no hydrogen 3.190 N/A GLN 146.A N GLN 146.A OE1 no hydrogen 2.751 N/A GLN 146.A NE2 GLU 241.A O no hydrogen 2.882 N/A TYR 147.A N LEU 144.A O no hydrogen 3.261 N/A TYR 147.A OH HIS 180.A ND1 no hydrogen 2.572 N/A ARG 148.A N PRO 145.A O no hydrogen 3.053 N/A ARG 148.A NE ASN 136.A OD1 no hydrogen 2.780 N/A ARG 148.A NH2 ASN 136.A OD1 no hydrogen 3.047 N/A PHE 151.A N TYR 147.A O no hydrogen 3.137 N/A MET 152.A N ARG 148.A O no hydrogen 2.938 N/A GLU 153.A N SER 149.A O no hydrogen 2.793 N/A CYS 154.A N TYR 150.A O no hydrogen 2.912 N/A LEU 155.A N MET 152.A O no hydrogen 3.086 N/A VAL 156.A N PHE 151.A O no hydrogen 2.935 N/A ALA 158.A N MET 129.A O no hydrogen 2.914 N/A ARG 159.A NE GLU 90.A OE1 no hydrogen 2.789 N/A ARG 159.A NH1 GLU 90.A OE1 no hydrogen 2.853 N/A MET 160.A N ASP 157.A O no hydrogen 3.255 N/A MET 160.A N ASP 157.A OD1 no hydrogen 2.985 N/A LEU 161.A N ALA 158.A O no hydrogen 3.052 N/A HIS 163.A N MET 160.A O no hydrogen 2.794 N/A LEU 164.A N LEU 161.A O no hydrogen 3.313 N/A THR 165.A N ASP 168.A OD2 no hydrogen 2.973 N/A ASP 168.A N THR 165.A OG1 no hydrogen 3.120 N/A LEU 169.A N THR 165.A O no hydrogen 2.987 N/A ARG 170.A N LYS 166.A O no hydrogen 2.987 N/A VAL 171.A N LYS 167.A O no hydrogen 2.747 N/A HIS 172.A N ASP 168.A O no hydrogen 3.103 N/A LEU 173.A N ASP 168.A O no hydrogen 3.107 N/A MET 175.A N LEU 169.A O no hydrogen 2.773 N/A VAL 176.A N LYS 174.A O no hydrogen 3.039 N/A HIS 180.A N ASP 177.A OD1 no hydrogen 3.342 N/A HIS 180.A ND1 TYR 147.A OH no hydrogen 2.572 N/A ARG 181.A N ASP 177.A O no hydrogen 3.148 N/A ARG 181.A NH1 MET 175.A O no hydrogen 2.889 N/A ARG 181.A NH1 VAL 176.A O no hydrogen 3.121 N/A THR 182.A N SER 178.A O no hydrogen 2.884 N/A THR 182.A OG1 SER 178.A O no hydrogen 3.318 N/A SER 183.A N PHE 179.A O no hydrogen 2.904 N/A SER 183.A OG GLY 243.A O no hydrogen 2.700 N/A LEU 184.A N HIS 180.A O no hydrogen 2.989 N/A GLN 185.A N ARG 181.A O no hydrogen 3.078 N/A TYR 186.A N THR 182.A O no hydrogen 3.120 N/A GLY 187.A N SER 183.A O no hydrogen 3.035 N/A ILE 188.A N LEU 184.A O no hydrogen 2.985 N/A MET 189.A N GLN 185.A O no hydrogen 2.930 N/A CYS 190.A N TYR 186.A O no hydrogen 3.010 N/A CYS 190.A SG LEU 216.A O no hydrogen 3.796 N/A LEU 191.A N GLY 187.A O no hydrogen 3.078 N/A LYS 192.A N ILE 188.A O no hydrogen 2.946 N/A LYS 192.A NZ ASP 162.A OD2 no hydrogen 2.725 N/A ARG 193.A N MET 189.A O no hydrogen 3.010 N/A LEU 194.A N CYS 190.A O no hydrogen 3.096 N/A ASN 195.A N LYS 192.A O no hydrogen 3.024 N/A TYR 196.A N LEU 191.A O no hydrogen 2.786 N/A ASP 197.A N LEU 194.A O no hydrogen 3.032 N/A ARG 198.A NE GLU 202.A OE2 no hydrogen 2.907 N/A ARG 198.A NH1 ASP 128.A O no hydrogen 3.027 N/A GLU 200.A N ASP 197.A OD1 no hydrogen 3.132 N/A LEU 201.A N ASP 197.A O no hydrogen 3.004 N/A GLU 202.A N ARG 198.A O no hydrogen 2.902 N/A ARG 203.A N LYS 199.A O no hydrogen 2.838 N/A ARG 203.A NE GLU 200.A OE2 no hydrogen 2.812 N/A ARG 203.A NH2 GLU 200.A OE2 no hydrogen 2.707 N/A ARG 204.A N GLU 200.A O no hydrogen 2.862 N/A ARG 204.A NE ASP 214.A OD2 no hydrogen 2.819 N/A ARG 204.A NH2 ASP 214.A OD1 no hydrogen 2.867 N/A ARG 204.A NH2 ASP 214.A OD2 no hydrogen 3.338 N/A ARG 205.A N LEU 201.A O no hydrogen 2.864 N/A ARG 205.A NE VAL 217.A O no hydrogen 2.797 N/A ARG 205.A NH2 SER 141.A OG no hydrogen 2.926 N/A GLU 206.A N GLU 202.A O no hydrogen 2.918 N/A ALA 207.A N ARG 203.A O no hydrogen 3.046 N/A SER 208.A N ARG 205.A O no hydrogen 3.188 N/A SER 208.A OG ARG 204.A O no hydrogen 2.826 N/A SER 208.A OG ARG 205.A O no hydrogen 3.308 N/A VAL 215.A N GLY 288.A O no hydrogen 3.073 N/A VAL 217.A N ASP 214.A O no hydrogen 3.237 N/A TRP 218.A N VAL 215.A O no hydrogen 2.808 N/A TRP 218.A NE1 LYS 213.A O no hydrogen 2.923 N/A ASN 220.A N SER 141.A O no hydrogen 2.758 N/A ASN 220.A ND2 ILE 239.A O no hydrogen 3.034 N/A ASN 220.A ND2 VAL 244.A O no hydrogen 2.803 N/A ARG 222.A N SER 219.A OG no hydrogen 3.005 N/A ARG 222.A NE SER 208.A O no hydrogen 2.977 N/A ARG 222.A NH1 ARG 222.A O no hydrogen 2.946 N/A ARG 222.A NH2 SER 208.A O no hydrogen 3.372 N/A ARG 222.A NH2 GLU 211.A O no hydrogen 3.258 N/A VAL 223.A N SER 219.A O no hydrogen 3.019 N/A ILE 224.A N ASN 220.A O no hydrogen 2.952 N/A ARG 225.A N ASP 221.A O no hydrogen 3.010 N/A ARG 225.A NE ASP 221.A OD2 no hydrogen 2.902 N/A ARG 225.A NH1 GLN 209.A OE1 no hydrogen 2.988 N/A ARG 225.A NH1 ASP 221.A OD2 no hydrogen 2.850 N/A ARG 225.A NH2 GLN 209.A OE1 no hydrogen 2.421 N/A TRP 226.A N ARG 222.A O no hydrogen 3.139 N/A ILE 227.A N VAL 223.A O no hydrogen 2.894 N/A GLN 228.A N ILE 224.A O no hydrogen 2.940 N/A ALA 229.A N ARG 225.A O no hydrogen 2.932 N/A ILE 230.A N TRP 226.A O no hydrogen 2.972 N/A GLY 231.A N GLN 228.A O no hydrogen 2.904 N/A LEU 232.A N ILE 227.A O no hydrogen 2.987 N/A TYR 235.A N LEU 232.A O no hydrogen 3.147 N/A ALA 236.A N LEU 232.A O no hydrogen 3.076 N/A ALA 236.A N ARG 233.A O no hydrogen 3.303 N/A ASN 238.A N TYR 235.A O no hydrogen 2.676 N/A ASN 238.A ND2 LEU 264.A O no hydrogen 2.791 N/A ILE 239.A N ALA 236.A O no hydrogen 3.462 N/A LEU 240.A N ASN 237.A O no hydrogen 3.102 N/A SER 242.A N ILE 239.A O no hydrogen 3.331 N/A SER 242.A OG ILE 239.A O no hydrogen 2.679 N/A GLY 243.A N GLY 143.A O no hydrogen 2.906 N/A VAL 244.A N SER 242.A OG no hydrogen 3.097 N/A HIS 245.A ND1 LEU 142.A O no hydrogen 3.313 N/A GLY 246.A N TRP 218.A O no hydrogen 2.803 N/A SER 247.A OG LEU 216.A O no hydrogen 2.554 N/A ILE 249.A N HIS 245.A O no hydrogen 3.309 N/A ALA 250.A N GLY 246.A O no hydrogen 2.775 N/A LEU 251.A N SER 247.A O no hydrogen 3.031 N/A ASP 252.A N LEU 248.A O no hydrogen 2.976 N/A ASN 254.A N ASP 252.A OD1 no hydrogen 2.750 N/A PHE 255.A N ASP 252.A O no hydrogen 3.234 N/A ASP 256.A N SER 259.A OG no hydrogen 3.380 N/A SER 258.A N ASP 256.A OD2 no hydrogen 3.230 N/A SER 258.A OG ASP 256.A OD2 no hydrogen 3.150 N/A SER 259.A OG ASP 256.A OD1 no hydrogen 2.869 N/A LEU 260.A N ASP 256.A O no hydrogen 3.059 N/A ALA 261.A N TYR 257.A O no hydrogen 2.774 N/A LEU 262.A N SER 258.A O no hydrogen 3.111 N/A LEU 263.A N SER 259.A O no hydrogen 3.186 N/A LEU 264.A N LEU 260.A O no hydrogen 2.796 N/A GLN 265.A N LEU 262.A O no hydrogen 2.799 N/A ILE 266.A N ALA 261.A O no hydrogen 3.135 N/A ASN 270.A N PRO 267.A O no hydrogen 3.214 N/A ALA 273.A N ASN 270.A OD1 no hydrogen 3.108 N/A ARG 274.A N ASN 270.A O no hydrogen 3.386 N/A ARG 274.A NE PRO 267.A O no hydrogen 3.101 N/A ARG 274.A NH2 ILE 266.A O no hydrogen 2.760 N/A GLN 275.A N THR 271.A O no hydrogen 3.040 N/A ILE 276.A N GLN 272.A O no hydrogen 2.887 N/A LEU 277.A N ALA 273.A O no hydrogen 2.937 N/A GLU 278.A N ARG 274.A O no hydrogen 2.782 N/A ARG 279.A N GLN 275.A O no hydrogen 3.243 N/A ARG 279.A NE GLU 280.A OE2 no hydrogen 2.743 N/A ARG 279.A NH2 GLU 280.A OE2 no hydrogen 2.940 N/A GLU 280.A N ILE 276.A O no hydrogen 2.906 N/A TYR 281.A N LEU 277.A O no hydrogen 2.739 N/A TYR 281.A OH PHE 255.A O no hydrogen 2.926 N/A ASN 282.A N GLU 278.A O no hydrogen 3.014 N/A ASN 283.A N ARG 279.A O no hydrogen 3.003 N/A LEU 284.A N GLU 280.A O no hydrogen 2.902 N/A LEU 285.A N TYR 281.A O no hydrogen 2.947 N/A ALA 286.A N ASN 282.A O no hydrogen 2.765 N/A LEU 287.A N ASN 283.A O no hydrogen 2.872 N/A GLY 288.A N LEU 284.A O no hydrogen 2.859 N/A THR 289.A OG1 LEU 285.A O no hydrogen 2.634 N/A ARG 291.A N THR 289.A OG1 no hydrogen 3.235 N/A