Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2baq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH2 PRO 88.A O no hydrogen 3.555 N/A THR 3.A OG1 GLU 18.A OE1 no hydrogen 3.245 N/A TYR 5.A N VAL 16.A O no hydrogen 2.658 N/A TYR 5.A OH TYR 20.A O no hydrogen 2.500 N/A LEU 9.A N THR 12.A O no hydrogen 3.011 N/A TRP 14.A N GLN 7.A O no hydrogen 2.511 N/A GLU 15.A N TYR 99.A OH no hydrogen 3.059 N/A VAL 16.A N TYR 5.A O no hydrogen 3.205 N/A GLU 18.A N THR 3.A O no hydrogen 3.162 N/A ARG 19.A NE ASP 39.A OD1 no hydrogen 2.940 N/A ARG 19.A NH2 ASP 39.A OD2 no hydrogen 3.278 N/A TYR 20.A N PRO 17.A O no hydrogen 2.740 N/A TYR 20.A OH ASP 84.A OD2 no hydrogen 2.479 N/A GLN 21.A N PHE 38.A O no hydrogen 2.825 N/A GLN 21.A NE2 GLU 18.A O no hydrogen 2.633 N/A SER 24.A N ALA 36.A O no hydrogen 2.804 N/A ILE 26.A N VAL 34.A O no hydrogen 3.173 N/A SER 28.A OG SER 33.A OG no hydrogen 3.083 N/A SER 33.A N LYS 50.A O no hydrogen 3.097 N/A SER 33.A OG SER 28.A OG no hydrogen 3.083 N/A VAL 34.A N GLY 27.A O no hydrogen 2.813 N/A CYS 35.A N VAL 48.A O no hydrogen 2.705 N/A ALA 36.A N SER 24.A O no hydrogen 2.534 N/A ALA 37.A N VAL 46.A O no hydrogen 2.954 N/A PHE 38.A N GLN 21.A O no hydrogen 2.743 N/A ASP 39.A N LEU 44.A O no hydrogen 2.927 N/A THR 40.A N ARG 19.A O no hydrogen 2.761 N/A THR 40.A OG1 ARG 19.A O no hydrogen 3.347 N/A LYS 41.A N ASP 39.A OD1 no hydrogen 2.885 N/A THR 42.A OG1 ASP 39.A OD2 no hydrogen 2.672 N/A GLY 43.A N ASP 39.A O no hydrogen 2.798 N/A LEU 44.A N THR 42.A OG1 no hydrogen 3.321 N/A VAL 46.A N ALA 37.A O no hydrogen 2.779 N/A ALA 47.A N THR 102.A O no hydrogen 2.808 N/A VAL 48.A N CYS 35.A O no hydrogen 2.717 N/A LYS 49.A N LEU 100.A O no hydrogen 2.723 N/A LYS 49.A NZ GLU 67.A OE1 no hydrogen 3.464 N/A LYS 49.A NZ GLU 67.A OE2 no hydrogen 2.994 N/A LYS 50.A N SER 33.A O no hydrogen 2.873 N/A LYS 50.A NZ ILE 13.A O no hydrogen 2.543 N/A LEU 51.A N VAL 98.A O no hydrogen 3.070 N/A SER 52.A N TYR 31.A O no hydrogen 2.830 N/A SER 52.A OG ALA 30.A O no hydrogen 3.478 N/A HIS 60.A N SER 57.A OG no hydrogen 3.217 N/A HIS 60.A ND1 ARG 53.A O no hydrogen 2.812 N/A ALA 61.A N SER 57.A O no hydrogen 2.775 N/A LYS 62.A N ILE 58.A O no hydrogen 3.025 N/A LYS 62.A NZ GLU 306.A O no hydrogen 2.753 N/A LYS 62.A NZ ARG 308.A O no hydrogen 3.108 N/A ARG 63.A N ILE 59.A O no hydrogen 3.049 N/A THR 64.A N HIS 60.A O no hydrogen 2.885 N/A THR 64.A OG1 PRO 54.A O no hydrogen 2.626 N/A THR 64.A OG1 HIS 60.A O no hydrogen 2.589 N/A TYR 65.A N ALA 61.A O no hydrogen 3.054 N/A TYR 65.A OH GLU 322.A OE2 no hydrogen 3.418 N/A ARG 66.A N LYS 62.A O no hydrogen 2.685 N/A ARG 66.A NE GLU 306.A OE1 no hydrogen 3.400 N/A ARG 66.A NE GLU 306.A OE2 no hydrogen 2.595 N/A ARG 66.A NH2 GLU 306.A OE1 no hydrogen 2.612 N/A ARG 66.A NH2 GLU 306.A OE2 no hydrogen 3.455 N/A GLU 67.A N ARG 63.A O no hydrogen 2.756 N/A LEU 68.A N THR 64.A O no hydrogen 3.167 N/A ARG 69.A N TYR 65.A O no hydrogen 2.906 N/A ARG 69.A NH1 TYR 65.A OH no hydrogen 2.897 N/A ARG 69.A NH2 ASP 302.A O no hydrogen 2.663 N/A LEU 70.A N ARG 66.A O no hydrogen 3.093 N/A LEU 71.A N GLU 67.A O no hydrogen 2.996 N/A LYS 72.A N LEU 68.A O no hydrogen 2.980 N/A LYS 72.A NZ GLU 322.A O no hydrogen 2.967 N/A LYS 72.A NZ GLU 322.A OE1 no hydrogen 2.798 N/A HIS 73.A N LEU 70.A O no hydrogen 2.999 N/A MET 74.A N LEU 70.A O no hydrogen 2.947 N/A MET 74.A N LEU 71.A O no hydrogen 3.210 N/A LYS 75.A N TYR 128.A OH no hydrogen 2.720 N/A GLU 77.A N GLU 77.A OE1 no hydrogen 3.139 N/A ASN 78.A N HIS 76.A ND1 no hydrogen 2.951 N/A ASN 78.A ND2 LEU 151.A O no hydrogen 3.242 N/A ILE 80.A N ILE 153.A O no hydrogen 2.945 N/A LEU 83.A N VAL 101.A O no hydrogen 2.784 N/A ASP 84.A N VAL 101.A O no hydrogen 3.159 N/A PHE 86.A N TYR 99.A O no hydrogen 3.154 N/A THR 87.A OG1 ASP 97.A O no hydrogen 2.606 N/A ALA 89.A N THR 87.A OG1 no hydrogen 3.293 N/A ARG 90.A N GLU 94.A OE1 no hydrogen 2.568 N/A SER 91.A OG GLU 93.A OE1 no hydrogen 3.511 N/A SER 91.A OG GLU 94.A OE2 no hydrogen 3.091 N/A PHE 95.A N SER 91.A O no hydrogen 2.937 N/A TYR 99.A N PHE 86.A O no hydrogen 3.087 N/A LEU 100.A N LYS 49.A O no hydrogen 2.753 N/A VAL 101.A N ASP 84.A O no hydrogen 2.801 N/A THR 102.A N ALA 47.A O no hydrogen 2.901 N/A THR 102.A OG1 HIS 103.A O no hydrogen 3.355 N/A ALA 107.A N VAL 146.A O no hydrogen 3.018 N/A LEU 109.A N PRO 141.A O no hydrogen 2.812 N/A VAL 115.A N THR 111.A O no hydrogen 3.048 N/A GLN 116.A N ASP 112.A O no hydrogen 3.068 N/A GLN 116.A NE2 ASP 112.A O no hydrogen 3.298 N/A GLN 116.A NE2 ASP 112.A OD2 no hydrogen 2.755 N/A PHE 117.A N ASP 113.A O no hydrogen 2.997 N/A LEU 118.A N HIS 114.A O no hydrogen 2.859 N/A ILE 119.A N VAL 115.A O no hydrogen 2.695 N/A TYR 120.A N GLN 116.A O no hydrogen 2.852 N/A TYR 120.A OH GLU 295.A OE2 no hydrogen 2.394 N/A GLN 121.A N PHE 117.A O no hydrogen 3.010 N/A GLN 121.A NE2 PHE 117.A O no hydrogen 3.543 N/A ILE 122.A N LEU 118.A O no hydrogen 3.021 N/A LEU 123.A N ILE 119.A O no hydrogen 2.946 N/A ARG 124.A N TYR 120.A O no hydrogen 2.813 N/A ARG 124.A NE ASP 294.A O no hydrogen 2.670 N/A ARG 124.A NH1 ASN 78.A OD1 no hydrogen 2.723 N/A ARG 124.A NH2 GLU 77.A OE1 no hydrogen 3.271 N/A ARG 124.A NH2 ASP 294.A O no hydrogen 2.815 N/A ARG 124.A NH2 ASP 294.A OD1 no hydrogen 3.449 N/A GLY 125.A N GLN 121.A O no hydrogen 2.797 N/A LEU 126.A N ILE 122.A O no hydrogen 2.659 N/A LYS 127.A N LEU 123.A O no hydrogen 2.810 N/A LYS 127.A NZ GLU 295.A O no hydrogen 2.532 N/A TYR 128.A N ARG 124.A O no hydrogen 3.444 N/A TYR 128.A OH HIS 73.A O no hydrogen 3.265 N/A TYR 128.A OH LYS 75.A O no hydrogen 3.149 N/A ILE 129.A N GLY 125.A O no hydrogen 3.174 N/A HIS 130.A N LEU 126.A O no hydrogen 2.947 N/A HIS 130.A NE2 ASP 183.A OD2 no hydrogen 2.631 N/A SER 131.A N LYS 127.A O no hydrogen 2.820 N/A SER 131.A OG TYR 128.A O no hydrogen 2.675 N/A ALA 132.A N TYR 128.A O no hydrogen 3.318 N/A ALA 132.A N ILE 129.A O no hydrogen 2.790 N/A ASP 133.A N HIS 130.A O no hydrogen 2.951 N/A ILE 134.A N ILE 129.A O no hydrogen 3.357 N/A HIS 136.A N ASP 183.A OD2 no hydrogen 3.032 N/A HIS 136.A NE2 LEU 154.A O no hydrogen 2.602 N/A ARG 137.A N ASP 183.A OD1 no hydrogen 2.825 N/A ARG 137.A NH1 TYR 178.A OH no hydrogen 2.342 N/A LYS 140.A NZ ASP 138.A OD1 no hydrogen 2.980 N/A LYS 140.A NZ ASP 138.A OD2 no hydrogen 2.769 N/A ASN 143.A N LYS 140.A O no hydrogen 2.771 N/A ASN 143.A ND2 ASP 138.A O no hydrogen 3.189 N/A ASN 143.A ND2 LYS 140.A O no hydrogen 3.110 N/A LEU 144.A N PRO 141.A O no hydrogen 3.124 N/A ALA 145.A N LYS 152.A O no hydrogen 3.087 N/A VAL 146.A N ALA 107.A O no hydrogen 3.244 N/A ASN 147.A N GLU 150.A O no hydrogen 3.352 N/A ASP 149.A N ASN 147.A OD1 no hydrogen 2.908 N/A LEU 151.A N GLN 121.A OE1 no hydrogen 2.719 N/A LYS 152.A N ALA 145.A O no hydrogen 3.094 N/A LYS 152.A NZ GLU 77.A O no hydrogen 3.172 N/A ILE 153.A N ASN 78.A O no hydrogen 2.899 N/A LEU 154.A N ASN 143.A O no hydrogen 2.848 N/A PHE 156.A N ASP 155.A OD2 no hydrogen 2.773 N/A ALA 159.A N SER 28.A O no hydrogen 2.715 N/A THR 163.A OG1 ASP 138.A OD1 no hydrogen 3.162 N/A ARG 164.A NE GLY 203.A O no hydrogen 3.242 N/A ARG 164.A NH1 GLY 203.A O no hydrogen 3.330 N/A TRP 165.A N ALA 162.A O no hydrogen 3.287 N/A TRP 165.A NE1 GLY 203.A O no hydrogen 2.819 N/A TYR 166.A N THR 163.A O no hydrogen 3.028 N/A TYR 166.A OH GLU 193.A OE1 no hydrogen 2.528 N/A TYR 166.A OH GLU 193.A OE2 no hydrogen 3.029 N/A ARG 167.A N ARG 164.A O no hydrogen 3.462 N/A ARG 167.A NE ARG 137.A O no hydrogen 3.160 N/A ARG 167.A NH1 ARG 137.A O no hydrogen 2.846 N/A GLU 170.A N GLU 170.A OE1 no hydrogen 3.081 N/A ILE 171.A N ALA 168.A O no hydrogen 3.043 N/A MET 172.A N PRO 169.A O no hydrogen 2.656 N/A LEU 173.A N PRO 169.A O no hydrogen 2.767 N/A TRP 175.A N GLU 170.A O no hydrogen 2.931 N/A HIS 177.A NE2 ASP 272.A OD1 no hydrogen 2.851 N/A ASN 179.A ND2 THR 181.A OG1 no hydrogen 2.499 N/A VAL 182.A N ASN 179.A O no hydrogen 3.135 N/A ASP 183.A N GLN 180.A O no hydrogen 3.347 N/A SER 186.A OG LEU 139.A O no hydrogen 3.555 N/A SER 186.A OG TYR 166.A O no hydrogen 2.606 N/A SER 186.A OG VAL 182.A O no hydrogen 3.504 N/A VAL 187.A N ASP 183.A O no hydrogen 2.868 N/A GLY 188.A N ILE 184.A O no hydrogen 2.824 N/A CYS 189.A N TRP 185.A O no hydrogen 2.891 N/A CYS 189.A SG TRP 185.A O no hydrogen 3.342 N/A ILE 190.A N SER 186.A O no hydrogen 2.736 N/A MET 191.A N VAL 187.A O no hydrogen 2.545 N/A ALA 192.A N GLY 188.A O no hydrogen 3.071 N/A GLU 193.A N ILE 190.A O no hydrogen 2.935 N/A LEU 194.A N ILE 190.A O no hydrogen 3.115 N/A LEU 195.A N MET 191.A O no hydrogen 3.293 N/A THR 196.A N ALA 192.A O no hydrogen 3.080 N/A THR 196.A OG1 ALA 192.A O no hydrogen 3.179 N/A GLY 197.A N GLU 193.A O no hydrogen 2.788 N/A ARG 198.A N THR 196.A OG1 no hydrogen 2.909 N/A GLY 203.A N PHE 201.A O no hydrogen 2.644 N/A THR 204.A N ASP 208.A OD2 no hydrogen 2.969 N/A ILE 207.A N ASP 205.A OD1 no hydrogen 2.708 N/A ASP 208.A N ASP 205.A OD1 no hydrogen 3.218 N/A GLN 209.A N ASP 205.A O no hydrogen 2.808 N/A GLN 209.A NE2 PHE 201.A O no hydrogen 2.749 N/A LEU 210.A N HIS 206.A O no hydrogen 3.255 N/A LYS 211.A N ILE 207.A O no hydrogen 2.999 N/A LEU 212.A N ASP 208.A O no hydrogen 2.879 N/A ILE 213.A N GLN 209.A O no hydrogen 2.963 N/A LEU 214.A N LEU 210.A O no hydrogen 3.119 N/A ARG 215.A N LYS 211.A O no hydrogen 3.038 N/A VAL 217.A N ILE 213.A O no hydrogen 2.902 N/A GLY 218.A N LEU 214.A O no hydrogen 2.760 N/A THR 219.A N MET 243.A O no hydrogen 3.359 N/A LEU 224.A N GLY 221.A O no hydrogen 3.011 N/A LEU 225.A N GLY 221.A O no hydrogen 2.792 N/A LYS 226.A NZ GLU 223.A OE2 no hydrogen 3.396 N/A LYS 227.A N LEU 224.A O no hydrogen 2.782 N/A LYS 227.A NZ ASP 270.A OD1 no hydrogen 3.338 N/A LYS 227.A NZ ASP 270.A OD2 no hydrogen 3.455 N/A LYS 227.A NZ ASP 272.A OD2 no hydrogen 2.731 N/A ILE 228.A N LEU 225.A O no hydrogen 3.295 N/A SER 229.A N TRP 175.A O no hydrogen 3.239 N/A ALA 233.A N SER 230.A OG no hydrogen 2.659 N/A ARG 234.A N SER 230.A O no hydrogen 3.155 N/A ARG 234.A NH1 ILE 228.A O no hydrogen 2.334 N/A ARG 234.A NH2 GLU 231.A OE2 no hydrogen 2.872 N/A ASN 235.A N GLU 231.A O no hydrogen 3.372 N/A ASN 235.A ND2 GLU 231.A O no hydrogen 3.491 N/A TYR 236.A N SER 232.A O no hydrogen 3.110 N/A ILE 237.A N ALA 233.A O no hydrogen 2.887 N/A GLN 238.A N ARG 234.A O no hydrogen 2.944 N/A SER 239.A N ASN 235.A O no hydrogen 3.132 N/A SER 239.A OG ASN 235.A O no hydrogen 3.014 N/A SER 239.A OG TYR 236.A O no hydrogen 2.630 N/A LEU 240.A N TYR 236.A O no hydrogen 3.338 N/A LYS 245.A NZ MET 246.A O no hydrogen 3.264 N/A MET 246.A N LEU 216.A O no hydrogen 3.232 N/A PHE 248.A N GLU 264.A OE2 no hydrogen 3.170 N/A ASN 250.A N ASN 247.A O no hydrogen 3.010 N/A VAL 251.A N PHE 248.A O no hydrogen 3.204 N/A PHE 252.A N PHE 248.A O no hydrogen 2.800 N/A ALA 255.A N PHE 252.A O no hydrogen 3.014 N/A ASN 256.A ND2 ASP 112.A OD2 no hydrogen 2.867 N/A LEU 258.A N ASN 256.A OD1 no hydrogen 2.945 N/A VAL 260.A N ASN 256.A O no hydrogen 3.048 N/A ASP 261.A N PRO 257.A O no hydrogen 3.037 N/A LEU 262.A N LEU 258.A O no hydrogen 3.051 N/A LEU 263.A N ALA 259.A O no hydrogen 3.031 N/A GLU 264.A N VAL 260.A O no hydrogen 3.106 N/A LYS 265.A N ASP 261.A O no hydrogen 3.199 N/A LYS 265.A N LEU 262.A O no hydrogen 2.962 N/A LYS 265.A NZ ASP 261.A OD2 no hydrogen 2.795 N/A MET 266.A N LEU 262.A O no hydrogen 2.965 N/A MET 266.A N LEU 263.A O no hydrogen 3.291 N/A LEU 267.A N LEU 263.A O no hydrogen 2.983 N/A SER 271.A OG HIS 177.A O no hydrogen 3.155 N/A ASP 272.A N ASP 270.A OD1 no hydrogen 2.936 N/A LYS 273.A N ASP 270.A O no hydrogen 2.713 N/A ARG 274.A N ASP 270.A O no hydrogen 3.166 N/A ARG 274.A NE VAL 268.A O no hydrogen 2.994 N/A ARG 274.A NH1 GLU 170.A OE1 no hydrogen 3.478 N/A ARG 274.A NH1 GLU 170.A OE2 no hydrogen 2.660 N/A ARG 274.A NH1 THR 181.A O no hydrogen 2.640 N/A ARG 274.A NH2 GLU 170.A OE1 no hydrogen 2.778 N/A ARG 274.A NH2 VAL 268.A O no hydrogen 3.020 N/A ARG 274.A NH2 LEU 269.A O no hydrogen 3.259 N/A ILE 275.A N LYS 265.A O no hydrogen 3.399 N/A THR 276.A N GLN 279.A OE1 no hydrogen 3.270 N/A GLN 279.A N THR 276.A OG1 no hydrogen 2.752 N/A ALA 280.A N THR 276.A O no hydrogen 2.674 N/A LEU 281.A N ALA 277.A O no hydrogen 3.161 N/A ALA 282.A N GLN 279.A O no hydrogen 3.057 N/A HIS 283.A N ALA 280.A O no hydrogen 3.189 N/A HIS 283.A NE2 ASP 261.A OD2 no hydrogen 2.889 N/A TYR 285.A N HIS 283.A ND1 no hydrogen 3.078 N/A TYR 285.A OH ASP 112.A OD1 no hydrogen 2.613 N/A PHE 286.A N HIS 283.A O no hydrogen 2.966 N/A ALA 287.A N ALA 284.A O no hydrogen 3.212 N/A TYR 289.A N PHE 286.A O no hydrogen 2.651 N/A TYR 289.A OH ASP 113.A OD1 no hydrogen 2.587 N/A HIS 290.A N PHE 286.A O no hydrogen 2.788 N/A ASP 291.A N TYR 120.A OH no hydrogen 3.302 N/A ASP 291.A N GLU 295.A OE2 no hydrogen 3.079 N/A ASP 293.A N ASP 291.A OD1 no hydrogen 3.229 N/A ASP 294.A N ASP 291.A O no hydrogen 2.974 N/A ALA 298.A N SER 131.A OG no hydrogen 2.772 N/A GLN 303.A NE2 ASP 133.A O no hydrogen 2.621 N/A SER 304.A N ASP 302.A OD1 no hydrogen 2.872 N/A SER 304.A OG ASP 302.A OD1 no hydrogen 2.784 N/A GLU 306.A N GLN 303.A O no hydrogen 3.060 N/A SER 307.A N SER 304.A O no hydrogen 3.214 N/A SER 307.A OG SER 304.A O no hydrogen 2.668 N/A ARG 308.A N PHE 305.A O no hydrogen 3.226 N/A LEU 311.A N GLU 314.A OE1 no hydrogen 3.494 N/A GLU 314.A N LEU 311.A O no hydrogen 2.532 N/A TRP 315.A N LEU 311.A O no hydrogen 3.236 N/A LYS 316.A N ILE 312.A O no hydrogen 2.838 N/A LYS 316.A NZ PHE 95.A O no hydrogen 2.703 N/A SER 317.A N ASP 313.A O no hydrogen 2.967 N/A LEU 318.A N GLU 314.A O no hydrogen 2.957 N/A THR 319.A N TRP 315.A O no hydrogen 2.980 N/A THR 319.A OG1 TRP 315.A O no hydrogen 3.095 N/A TYR 320.A N LYS 316.A O no hydrogen 3.168 N/A ASP 321.A N SER 317.A O no hydrogen 2.921 N/A GLU 322.A N LEU 318.A O no hydrogen 2.990 N/A VAL 323.A N THR 319.A O no hydrogen 2.813 N/A ILE 324.A N TYR 320.A O no hydrogen 2.813 N/A SER 325.A N ASP 321.A O no hydrogen 2.831 N/A PHE 326.A N VAL 323.A O no hydrogen 3.120 N/A