Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3tac_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A N GLU 87.A OE2 no hydrogen 3.070 N/A SER 3.A N THR 88.A OG1 no hydrogen 2.938 N/A SER 3.A OG ASP 12.A OD1 no hydrogen 2.830 N/A SER 3.A OG ASP 12.A OD2 no hydrogen 2.899 N/A ALA 10.A N VAL 6.A O no hydrogen 2.517 N/A ASP 12.A N SER 90.A O no hydrogen 2.798 N/A ASP 18.A N LEU 15.A O no hydrogen 3.447 N/A VAL 19.A N PHE 16.A O no hydrogen 3.285 N/A TYR 20.A N PHE 16.A O no hydrogen 3.176 N/A TYR 20.A OH GLU 87.A OE1 no hydrogen 2.453 N/A GLU 21.A N ILE 38.A O no hydrogen 2.773 N/A CYS 23.A N ARG 36.A O no hydrogen 2.875 N/A GLU 24.A N GLU 24.A OE1 no hydrogen 2.921 N/A ILE 26.A N VAL 34.A O no hydrogen 2.801 N/A GLY 27.A N VAL 34.A O no hydrogen 2.923 N/A GLY 29.A N SER 32.A O no hydrogen 2.760 N/A VAL 33.A N ILE 50.A O no hydrogen 2.983 N/A VAL 34.A N GLY 27.A O no hydrogen 2.703 N/A ARG 35.A N VAL 48.A O no hydrogen 3.228 N/A ARG 35.A NE CYS 23.A O no hydrogen 2.786 N/A ARG 35.A NH1 CYS 23.A O no hydrogen 2.694 N/A ARG 36.A N GLU 24.A O no hydrogen 3.140 N/A ARG 36.A NE GLU 24.A OE1 no hydrogen 3.255 N/A ARG 36.A NE GLU 24.A OE2 no hydrogen 2.793 N/A ARG 36.A NH1 GLU 24.A OE1 no hydrogen 2.802 N/A ARG 36.A NH2 GLN 45.A OE1 no hydrogen 3.174 N/A CYS 37.A N PHE 46.A O no hydrogen 2.817 N/A CYS 37.A SG PHE 46.A O no hydrogen 3.652 N/A ILE 38.A N GLU 21.A O no hydrogen 2.764 N/A ASN 39.A N GLN 44.A O no hydrogen 3.287 N/A ARG 40.A N VAL 19.A O no hydrogen 2.694 N/A GLU 41.A N ASN 39.A OD1 no hydrogen 2.673 N/A GLY 43.A N ASN 39.A O no hydrogen 3.001 N/A PHE 46.A N CYS 37.A O no hydrogen 2.939 N/A ALA 47.A N PHE 99.A O no hydrogen 2.999 N/A VAL 48.A N ARG 35.A O no hydrogen 2.959 N/A LYS 49.A N MET 97.A O no hydrogen 2.735 N/A LYS 49.A NZ GLU 70.A OE2 no hydrogen 2.771 N/A LYS 49.A NZ VAL 320.A O no hydrogen 2.869 N/A LYS 49.A NZ SER 321.A O no hydrogen 2.607 N/A ILE 50.A N VAL 33.A O no hydrogen 2.845 N/A VAL 51.A N LEU 95.A O no hydrogen 2.781 N/A ASP 52.A N PHE 31.A O no hydrogen 3.079 N/A VAL 53.A N GLY 93.A O no hydrogen 3.427 N/A LYS 55.A N ASP 52.A OD2 no hydrogen 3.254 N/A PHE 56.A N ASP 52.A O no hydrogen 2.893 N/A THR 57.A N VAL 53.A O no hydrogen 2.719 N/A SER 58.A N ALA 54.A O no hydrogen 3.126 N/A SER 58.A OG ALA 54.A O no hydrogen 2.725 N/A SER 58.A OG LYS 55.A O no hydrogen 3.398 N/A SER 59.A N PHE 56.A O no hydrogen 3.260 N/A LEU 62.A N SER 59.A O no hydrogen 3.354 N/A SER 63.A N ASP 66.A OD1 no hydrogen 2.621 N/A GLU 65.A N SER 63.A OG no hydrogen 3.157 N/A ASP 66.A N SER 63.A O no hydrogen 3.140 N/A LYS 68.A N THR 64.A O no hydrogen 2.970 N/A LYS 68.A NZ GLU 65.A OE1 no hydrogen 2.667 N/A ARG 69.A N GLU 65.A O no hydrogen 2.979 N/A GLU 70.A N ASP 66.A O no hydrogen 3.174 N/A ALA 71.A N LEU 67.A O no hydrogen 3.011 N/A SER 72.A N LYS 68.A O no hydrogen 2.935 N/A ILE 73.A N ARG 69.A O no hydrogen 2.908 N/A CYS 74.A N GLU 70.A O no hydrogen 2.895 N/A CYS 74.A SG GLU 70.A O no hydrogen 3.237 N/A HIS 75.A N ALA 71.A O no hydrogen 3.113 N/A HIS 75.A NE2 THR 88.A OG1 no hydrogen 3.012 N/A MET 76.A N ILE 73.A O no hydrogen 3.134 N/A LEU 77.A N ILE 73.A O no hydrogen 3.251 N/A LYS 78.A N TYR 139.A OH no hydrogen 2.996 N/A LYS 78.A NZ GLU 84.A OE1 no hydrogen 2.912 N/A LYS 78.A NZ LEU 85.A O no hydrogen 3.259 N/A HIS 81.A N HIS 79.A ND1 no hydrogen 3.097 N/A HIS 81.A ND1 VAL 166.A O no hydrogen 2.896 N/A ILE 82.A N HIS 79.A O no hydrogen 3.266 N/A VAL 83.A N LEU 168.A O no hydrogen 2.985 N/A GLU 84.A N GLU 100.A OE2 no hydrogen 2.598 N/A LEU 86.A N VAL 98.A O no hydrogen 2.769 N/A GLU 87.A N VAL 98.A O no hydrogen 3.389 N/A THR 88.A N HIS 1.A O no hydrogen 3.177 N/A THR 88.A OG1 HIS 75.A NE2 no hydrogen 3.012 N/A TYR 89.A N TYR 96.A O no hydrogen 2.850 N/A TYR 89.A OH GLU 87.A OE1 no hydrogen 2.610 N/A SER 90.A N ASP 12.A OD2 no hydrogen 2.776 N/A SER 90.A OG ALA 10.A O no hydrogen 3.391 N/A SER 91.A N MET 94.A O no hydrogen 2.878 N/A MET 94.A N SER 91.A O no hydrogen 2.789 N/A LEU 95.A N VAL 51.A O no hydrogen 2.976 N/A TYR 96.A N TYR 89.A O no hydrogen 2.683 N/A MET 97.A N LYS 49.A O no hydrogen 2.784 N/A VAL 98.A N GLU 87.A O no hydrogen 2.833 N/A PHE 99.A N ALA 47.A O no hydrogen 2.657 N/A GLU 100.A N GLU 84.A O no hydrogen 2.944 N/A ASP 103.A N ALA 158.A O no hydrogen 2.821 N/A LEU 107.A N VAL 155.A O no hydrogen 2.888 N/A PHE 109.A N ASP 106.A OD1 no hydrogen 3.024 N/A GLU 110.A N ASP 106.A O no hydrogen 3.180 N/A ILE 111.A N LEU 107.A O no hydrogen 2.904 N/A LYS 113.A N PHE 109.A O no hydrogen 3.025 N/A ARG 114.A N GLU 110.A O no hydrogen 2.830 N/A ARG 114.A NE GLU 110.A OE2 no hydrogen 3.093 N/A ARG 114.A NH1 LYS 160.A O no hydrogen 3.013 N/A ALA 115.A N ILE 111.A O no hydrogen 2.957 N/A ASP 116.A N VAL 112.A O no hydrogen 3.018 N/A ALA 117.A N LYS 113.A O no hydrogen 3.182 N/A ALA 117.A N ARG 114.A O no hydrogen 3.183 N/A GLY 118.A N ALA 115.A O no hydrogen 3.082 N/A PHE 119.A N ARG 114.A O no hydrogen 2.949 N/A TYR 121.A N HIS 295.A ND1 no hydrogen 2.984 N/A TYR 121.A OH LEU 220.A O no hydrogen 2.586 N/A ALA 124.A N TYR 292.A O no hydrogen 3.030 N/A ALA 126.A N SER 122.A O no hydrogen 3.121 N/A SER 127.A N GLU 123.A O no hydrogen 2.675 N/A SER 127.A OG TRP 283.A O no hydrogen 2.722 N/A HIS 128.A N ALA 124.A O no hydrogen 3.089 N/A TYR 129.A N VAL 125.A O no hydrogen 3.173 N/A MET 130.A N ALA 126.A O no hydrogen 2.892 N/A ARG 131.A N SER 127.A O no hydrogen 3.023 N/A ILE 133.A N TYR 129.A O no hydrogen 3.108 N/A LEU 134.A N MET 130.A O no hydrogen 2.902 N/A GLU 135.A N ARG 131.A O no hydrogen 2.848 N/A ALA 136.A N GLN 132.A O no hydrogen 2.996 N/A LEU 137.A N ILE 133.A O no hydrogen 2.950 N/A ARG 138.A N LEU 134.A O no hydrogen 2.776 N/A TYR 139.A N GLU 135.A O no hydrogen 3.220 N/A TYR 139.A OH MET 76.A O no hydrogen 3.367 N/A CYS 140.A N ALA 136.A O no hydrogen 3.082 N/A CYS 140.A SG ALA 136.A O no hydrogen 3.467 N/A HIS 141.A N LEU 137.A O no hydrogen 2.860 N/A HIS 141.A NE2 ASP 209.A OD2 no hydrogen 2.693 N/A ASP 142.A N ARG 138.A O no hydrogen 2.879 N/A ASN 143.A N TYR 139.A O no hydrogen 3.281 N/A ASN 143.A N CYS 140.A O no hydrogen 3.118 N/A ASN 143.A ND2 TYR 139.A O no hydrogen 2.670 N/A ASN 144.A N HIS 141.A O no hydrogen 2.866 N/A ILE 145.A N CYS 140.A O no hydrogen 2.870 N/A ILE 146.A N ILE 175.A O no hydrogen 2.915 N/A HIS 147.A N ASP 209.A OD2 no hydrogen 3.060 N/A HIS 147.A NE2 GLY 169.A O no hydrogen 2.797 N/A ARG 148.A N ASP 209.A OD1 no hydrogen 2.876 N/A ARG 148.A NE VAL 173.A O no hydrogen 2.804 N/A ARG 148.A NH1 VAL 173.A O no hydrogen 2.760 N/A ARG 148.A NH2 TYR 204.A OH no hydrogen 2.877 N/A ASP 149.A N HIS 147.A ND1 no hydrogen 3.096 N/A LYS 151.A NZ THR 190.A OG1 no hydrogen 2.617 N/A HIS 153.A NE2 GLY 314.A O no hydrogen 2.817 N/A CYS 154.A N LYS 151.A O no hydrogen 3.040 N/A CYS 154.A SG ASP 149.A O no hydrogen 3.321 N/A VAL 155.A N PRO 152.A O no hydrogen 2.903 N/A LEU 156.A N LYS 167.A O no hydrogen 3.102 N/A LEU 157.A N ALA 105.A O no hydrogen 3.273 N/A ALA 158.A N PRO 165.A O no hydrogen 3.004 N/A SER 159.A OG GLU 161.A OE1 no hydrogen 3.342 N/A GLU 161.A N SER 159.A OG no hydrogen 2.899 N/A SER 163.A OG ASN 162.A OD1 no hydrogen 3.400 N/A ALA 164.A N GLU 161.A O no hydrogen 3.242 N/A VAL 166.A N GLN 132.A OE1 no hydrogen 2.974 N/A LYS 167.A N LEU 156.A O no hydrogen 2.726 N/A LYS 167.A NZ GLU 100.A OE1 no hydrogen 2.711 N/A LYS 167.A NZ GLU 100.A OE2 no hydrogen 3.566 N/A LEU 168.A N HIS 81.A O no hydrogen 2.699 N/A GLY 169.A N CYS 154.A O no hydrogen 2.875 N/A GLY 170.A N ALA 318.A O no hydrogen 2.788 N/A PHE 171.A N SER 321.A OG no hydrogen 2.693 N/A ALA 174.A N PHE 171.A O no hydrogen 3.235 N/A ILE 175.A N ILE 146.A O no hydrogen 2.933 N/A LEU 177.A N ASN 144.A O no hydrogen 2.989 N/A GLY 181.A N GLY 178.A O no hydrogen 2.807 N/A VAL 183.A N TYR 204.A O no hydrogen 2.658 N/A ARG 187.A NE VAL 199.A O no hydrogen 3.305 N/A ARG 187.A NH1 VAL 199.A O no hydrogen 3.112 N/A THR 190.A OG1 ASP 149.A OD1 no hydrogen 2.873 N/A PHE 193.A N THR 190.A O no hydrogen 2.722 N/A MET 194.A N PRO 191.A O no hydrogen 3.131 N/A GLU 197.A N GLU 197.A OE1 no hydrogen 2.722 N/A VAL 199.A N ALA 195.A O no hydrogen 2.992 N/A LYS 200.A N PRO 196.A O no hydrogen 2.894 N/A ARG 201.A N VAL 198.A O no hydrogen 2.990 N/A GLU 202.A N GLU 197.A O no hydrogen 3.013 N/A TYR 204.A N VAL 183.A O no hydrogen 2.782 N/A LYS 206.A NZ HIS 141.A O no hydrogen 3.224 N/A VAL 208.A N GLY 205.A O no hydrogen 3.022 N/A ASP 209.A N LYS 206.A O no hydrogen 3.172 N/A TRP 211.A N PRO 207.A O no hydrogen 3.007 N/A GLY 212.A N VAL 208.A O no hydrogen 2.992 N/A CYS 213.A N ASP 209.A O no hydrogen 3.030 N/A CYS 213.A SG ASP 209.A O no hydrogen 3.597 N/A GLY 214.A N VAL 210.A O no hydrogen 2.837 N/A VAL 215.A N TRP 211.A O no hydrogen 2.993 N/A ILE 216.A N GLY 212.A O no hydrogen 2.995 N/A LEU 217.A N CYS 213.A O no hydrogen 2.855 N/A PHE 218.A N GLY 214.A O no hydrogen 2.871 N/A ILE 219.A N VAL 215.A O no hydrogen 2.983 N/A LEU 220.A N ILE 216.A O no hydrogen 2.744 N/A LEU 221.A N LEU 217.A O no hydrogen 2.963 N/A SER 222.A N PHE 218.A O no hydrogen 2.995 N/A SER 222.A OG PHE 218.A O no hydrogen 2.678 N/A GLY 223.A N ILE 219.A O no hydrogen 2.568 N/A CYS 224.A N SER 222.A OG no hydrogen 3.184 N/A CYS 224.A SG SER 222.A O no hydrogen 3.666 N/A LEU 225.A N TYR 228.A OH no hydrogen 3.341 N/A LEU 234.A N THR 230.A O no hydrogen 2.654 N/A PHE 235.A N LYS 231.A O no hydrogen 2.763 N/A GLU 236.A N GLU 232.A O no hydrogen 3.081 N/A GLY 237.A N ARG 233.A O no hydrogen 3.035 N/A ILE 238.A N LEU 234.A O no hydrogen 2.928 N/A ILE 239.A N PHE 235.A O no hydrogen 3.020 N/A LYS 240.A N GLU 236.A O no hydrogen 3.094 N/A GLY 241.A N GLY 237.A O no hydrogen 2.828 N/A GLN 249.A N ASN 246.A O no hydrogen 3.228 N/A GLN 249.A NE2 ASN 246.A O no hydrogen 3.650 N/A TRP 250.A N ASN 246.A O no hydrogen 2.823 N/A SER 251.A N PRO 247.A O no hydrogen 2.861 N/A SER 251.A OG PRO 247.A O no hydrogen 2.940 N/A HIS 252.A N GLN 249.A O no hydrogen 3.434 N/A ILE 253.A N TRP 250.A O no hydrogen 3.192 N/A SER 254.A N GLU 123.A OE2 no hydrogen 2.607 N/A SER 254.A OG GLU 123.A OE1 no hydrogen 2.712 N/A SER 254.A OG GLU 123.A OE2 no hydrogen 3.249 N/A ALA 257.A N SER 254.A OG no hydrogen 3.302 N/A LYS 258.A N SER 254.A O no hydrogen 3.179 N/A LYS 258.A NZ TRP 250.A O no hydrogen 2.970 N/A ASP 259.A N GLU 255.A O no hydrogen 2.744 N/A LEU 260.A N SER 256.A O no hydrogen 3.247 N/A VAL 261.A N ALA 257.A O no hydrogen 3.203 N/A ARG 262.A N LYS 258.A O no hydrogen 2.916 N/A ARG 262.A NH2 GLU 255.A OE2 no hydrogen 3.334 N/A ARG 263.A N ASP 259.A O no hydrogen 3.033 N/A MET 264.A N LEU 260.A O no hydrogen 2.952 N/A LEU 265.A N VAL 261.A O no hydrogen 2.922 N/A ALA 270.A N ASP 268.A OD1 no hydrogen 3.080 N/A GLU 271.A N ASP 268.A O no hydrogen 2.959 N/A ARG 272.A N ASP 268.A O no hydrogen 3.181 N/A ARG 272.A NE MET 266.A O no hydrogen 2.894 N/A ARG 272.A NH1 GLU 197.A OE1 no hydrogen 3.504 N/A ARG 272.A NH1 GLU 197.A OE2 no hydrogen 2.733 N/A ARG 272.A NH1 PRO 207.A O no hydrogen 2.957 N/A ARG 272.A NH2 GLU 197.A OE1 no hydrogen 3.030 N/A ARG 272.A NH2 MET 266.A O no hydrogen 2.960 N/A ARG 272.A NH2 LEU 267.A O no hydrogen 3.188 N/A ILE 273.A N ARG 263.A O no hydrogen 3.134 N/A THR 274.A N GLU 277.A OE2 no hydrogen 3.027 N/A GLU 277.A N THR 274.A OG1 no hydrogen 3.028 N/A ALA 278.A N THR 274.A O no hydrogen 2.804 N/A LEU 279.A N VAL 275.A O no hydrogen 2.933 N/A ASN 280.A N GLU 277.A O no hydrogen 2.979 N/A HIS 281.A N ALA 278.A O no hydrogen 3.017 N/A HIS 281.A NE2 ASP 259.A OD1 no hydrogen 2.667 N/A TRP 283.A N HIS 281.A ND1 no hydrogen 3.191 N/A TRP 283.A NE1 GLU 123.A OE1 no hydrogen 2.967 N/A LEU 284.A N HIS 281.A O no hydrogen 2.938 N/A LYS 285.A N HIS 281.A O no hydrogen 2.769 N/A GLU 286.A N PRO 282.A O no hydrogen 2.716 N/A ARG 287.A NE ALA 124.A O no hydrogen 2.804 N/A ARG 287.A NH2 ALA 124.A O no hydrogen 3.367 N/A ARG 289.A N GLU 286.A O no hydrogen 2.867 N/A TYR 290.A N GLU 286.A O no hydrogen 2.883 N/A ALA 291.A N ARG 287.A O no hydrogen 2.803 N/A TYR 292.A N GLU 123.A OE1 no hydrogen 3.300 N/A THR 299.A N LEU 296.A O no hydrogen 3.158 N/A THR 299.A OG1 LEU 221.A O no hydrogen 2.553 N/A VAL 300.A N LEU 296.A O no hydrogen 3.000 N/A GLU 301.A N PRO 297.A O no hydrogen 3.042 N/A GLN 302.A N GLU 298.A O no hydrogen 3.281 N/A LEU 303.A N THR 299.A O no hydrogen 2.878 N/A ARG 304.A N VAL 300.A O no hydrogen 3.132 N/A ARG 304.A NE GLU 301.A OE1 no hydrogen 3.153 N/A ARG 304.A NH1 ASP 116.A OD2 no hydrogen 3.095 N/A ARG 304.A NH1 GLU 301.A OE2 no hydrogen 2.922 N/A ARG 304.A NH2 ASP 116.A OD1 no hydrogen 2.923 N/A ARG 304.A NH2 ASP 116.A OD2 no hydrogen 3.539 N/A LYS 305.A N GLU 301.A O no hydrogen 3.483 N/A PHE 306.A N GLN 302.A O no hydrogen 2.906 N/A ASN 307.A N LEU 303.A O no hydrogen 2.651 N/A ASN 307.A ND2 CYS 108.A O no hydrogen 2.743 N/A ALA 308.A N ARG 304.A O no hydrogen 2.886 N/A ARG 309.A N PHE 306.A O no hydrogen 3.310 N/A ARG 310.A N ASN 307.A O no hydrogen 2.771 N/A ARG 310.A NE ASN 307.A OD1 no hydrogen 3.471 N/A ARG 310.A NH1 ASP 106.A OD2 no hydrogen 2.680 N/A ARG 310.A NH2 ASP 106.A OD1 no hydrogen 3.070 N/A ARG 310.A NH2 ASP 106.A OD2 no hydrogen 3.197 N/A ARG 310.A NH2 ASN 307.A OD1 no hydrogen 2.860 N/A GLY 314.A N LYS 311.A O no hydrogen 3.477 N/A ALA 318.A N GLY 314.A O no hydrogen 3.121 N/A ALA 319.A N ALA 315.A O no hydrogen 2.999 N/A VAL 320.A N VAL 316.A O no hydrogen 3.326 N/A SER 321.A N ALA 318.A O no hydrogen 2.968 N/A SER 322.A N LEU 317.A O no hydrogen 2.868 N/A