Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8def_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 4.A N SER 17.A O no hydrogen 2.902 N/A PHE 5.A N ASP 232.A OD2 no hydrogen 2.607 N/A CYS 6.A SG TYR 8.A O no hydrogen 3.042 N/A CYS 6.A SG THR 115.A O no hydrogen 3.950 N/A CYS 9.A N ALA 13.A O no hydrogen 3.114 N/A CYS 9.A SG ALA 13.A O no hydrogen 3.745 N/A ARG 10.A NH1 GLU 111.A O no hydrogen 2.905 N/A SER 12.A OG HIS 11.A O no hydrogen 2.668 N/A CYS 15.A N CYS 6.A O no hydrogen 2.969 N/A SER 17.A N GLY 4.A O no hydrogen 2.902 N/A LYS 20.A NZ ILE 21.A O no hydrogen 3.129 N/A GLU 22.A N GLN 36.A O no hydrogen 3.003 N/A ASN 23.A ND2 GLN 36.A OE1 no hydrogen 3.582 N/A TRP 25.A N ARG 34.A O no hydrogen 2.683 N/A GLU 27.A N GLU 27.A OE1 no hydrogen 2.585 N/A SER 28.A OG ASP 30.A OD1 no hydrogen 2.379 N/A SER 28.A OG SER 32.A OG no hydrogen 2.958 N/A ASP 29.A N HIS 143.A O no hydrogen 3.104 N/A GLY 31.A N SER 28.A O no hydrogen 3.072 N/A SER 32.A N ASP 30.A OD1 no hydrogen 2.932 N/A SER 32.A OG SER 28.A OG no hydrogen 2.958 N/A SER 32.A OG ASP 30.A OD1 no hydrogen 2.578 N/A SER 32.A OG ASP 30.A OD2 no hydrogen 3.295 N/A ILE 33.A N ALA 93.A O no hydrogen 2.894 N/A ARG 34.A N TRP 25.A O no hydrogen 2.734 N/A ARG 34.A NH2 PHE 249.A O no hydrogen 2.962 N/A ILE 35.A N LEU 91.A O no hydrogen 2.880 N/A GLN 36.A N ASN 23.A O no hydrogen 3.088 N/A VAL 37.A N TYR 89.A O no hydrogen 2.988 N/A SER 38.A OG TYR 2.A O no hydrogen 2.580 N/A SER 38.A OG PRO 18.A O no hydrogen 2.335 N/A GLN 40.A N ARG 55.A O no hydrogen 3.203 N/A PHE 41.A N GLY 88.A O no hydrogen 2.866 N/A ASN 44.A N THR 48.A O no hydrogen 3.246 N/A GLN 45.A NE2 ILE 65.A O no hydrogen 2.410 N/A GLY 47.A N ASN 44.A O no hydrogen 3.063 N/A THR 48.A N ASN 44.A OD1 no hydrogen 2.555 N/A ASP 50.A N GLY 42.A O no hydrogen 2.745 N/A PHE 54.A N ASP 68.A O no hydrogen 2.892 N/A ARG 55.A N GLN 40.A O no hydrogen 3.028 N/A ARG 55.A NH1 GLN 45.A O no hydrogen 2.908 N/A TYR 56.A N LYS 66.A O no hydrogen 2.907 N/A TYR 56.A OH ASP 68.A OD2 no hydrogen 2.206 N/A SER 58.A OG ASP 60.A OD2 no hydrogen 2.166 N/A SER 58.A OG ASP 64.A O no hydrogen 2.778 N/A SER 58.A OG ASP 64.A OD2 no hydrogen 3.561 N/A HIS 63.A ND1 HIS 61.A O no hydrogen 2.739 N/A LYS 66.A N TYR 56.A O no hydrogen 2.922 N/A ASP 68.A N PHE 54.A O no hydrogen 2.909 N/A SER 69.A OG ASP 71.A OD1 no hydrogen 2.368 N/A MET 70.A N THR 52.A O no hydrogen 2.887 N/A LYS 72.A NZ ASP 68.A OD1 no hydrogen 2.703 N/A LYS 72.A NZ SER 107.A OG no hydrogen 3.150 N/A ALA 74.A N SER 104.A O no hydrogen 2.864 N/A SER 76.A N THR 102.A O no hydrogen 2.945 N/A THR 77.A OG1 PRO 96.A O no hydrogen 2.671 N/A THR 77.A OG1 PRO 97.A O no hydrogen 3.348 N/A SER 78.A OG PRO 97.A O no hydrogen 2.426 N/A CYS 81.A N ILE 75.A O no hydrogen 2.587 N/A CYS 81.A SG GLY 79.A O no hydrogen 3.512 N/A ARG 82.A N GLN 94.A O no hydrogen 2.987 N/A LEU 84.A N LEU 92.A O no hydrogen 2.773 N/A GLY 85.A N LEU 92.A O no hydrogen 2.927 N/A LYS 87.A N PHE 90.A O no hydrogen 2.935 N/A LYS 87.A NZ LYS 149.A O no hydrogen 3.438 N/A GLY 88.A N PHE 41.A O no hydrogen 2.819 N/A PHE 90.A N LYS 87.A O no hydrogen 2.901 N/A LEU 91.A N ILE 35.A O no hydrogen 2.884 N/A LEU 92.A N GLY 85.A O no hydrogen 2.865 N/A ALA 93.A N ILE 33.A O no hydrogen 2.955 N/A GLN 94.A N ARG 82.A O no hydrogen 3.099 N/A CYS 95.A SG THR 77.A OG1 no hydrogen 3.271 N/A CYS 95.A SG PRO 96.A O no hydrogen 3.366 N/A GLY 98.A N ILE 120.A O no hydrogen 3.497 N/A VAL 101.A N VAL 116.A O no hydrogen 2.875 N/A THR 102.A N SER 76.A O no hydrogen 2.838 N/A THR 102.A OG1 THR 115.A OG1 no hydrogen 2.709 N/A VAL 103.A N CYS 114.A O no hydrogen 2.922 N/A SER 104.A N ALA 74.A O no hydrogen 2.936 N/A ILE 105.A N ASN 112.A O no hydrogen 2.882 N/A THR 106.A N LYS 72.A O no hydrogen 2.888 N/A THR 106.A OG1 LYS 72.A O no hydrogen 2.956 N/A THR 106.A OG1 THR 106.A O no hydrogen 2.471 N/A SER 107.A N SER 110.A O no hydrogen 2.885 N/A SER 110.A N SER 107.A O no hydrogen 2.914 N/A ASN 112.A N ILE 105.A O no hydrogen 2.916 N/A CYS 114.A N VAL 103.A O no hydrogen 2.913 N/A THR 115.A N TYR 8.A O no hydrogen 3.007 N/A THR 115.A OG1 THR 102.A OG1 no hydrogen 2.709 N/A VAL 116.A N VAL 101.A O no hydrogen 2.906 N/A LYS 118.A N ASP 99.A O no hydrogen 2.909 N/A ILE 120.A N GLY 98.A O no hydrogen 3.226 N/A LYS 123.A NZ ARG 121.A O no hydrogen 2.715 N/A VAL 125.A N TYR 130.A OH no hydrogen 3.508 N/A ARG 127.A N ASN 322.A OD1 no hydrogen 2.884 N/A ARG 127.A NE GLY 321.A O no hydrogen 2.489 N/A ARG 127.A NH1 THR 286.A OG1 no hydrogen 3.326 N/A ARG 127.A NH2 THR 286.A OG1 no hydrogen 2.972 N/A GLU 129.A N PRO 282.A O no hydrogen 2.767 N/A LYS 138.A N VAL 258.A O no hydrogen 2.916 N/A LYS 138.A NZ HIS 323.A ND1 no hydrogen 3.279 N/A VAL 140.A N CYS 256.A O no hydrogen 2.913 N/A LYS 141.A NZ THR 254.A O no hydrogen 3.063 N/A CYS 142.A N THR 254.A O no hydrogen 2.908 N/A HIS 143.A N ASP 29.A OD2 no hydrogen 2.677 N/A VAL 144.A N THR 252.A O no hydrogen 2.958 N/A TYR 145.A N SER 28.A OG no hydrogen 3.073 N/A TYR 145.A OH GLU 27.A OE2 no hydrogen 2.934 N/A ASP 146.A N ARG 250.A O no hydrogen 2.952 N/A LEU 148.A N ASP 146.A OD1 no hydrogen 3.179 N/A THR 151.A N LEU 148.A O no hydrogen 3.329 N/A THR 151.A OG1 LEU 148.A O no hydrogen 3.151 N/A SER 152.A OG GLY 154.A O no hydrogen 2.674 N/A ALA 153.A N ILE 247.A O no hydrogen 2.446 N/A ILE 156.A N LEU 245.A O no hydrogen 2.893 N/A MET 158.A N GLY 243.A O no hydrogen 2.829 N/A HIS 159.A N VAL 227.A O no hydrogen 2.885 N/A HIS 159.A ND1 SER 240.A O no hydrogen 2.677 N/A ARG 160.A NE GLN 242.A OE1 no hydrogen 2.905 N/A ARG 160.A NH2 GLN 242.A OE1 no hydrogen 3.159 N/A TYR 166.A N ALA 218.A O no hydrogen 3.197 N/A TYR 166.A OH HIS 164.A NE2 no hydrogen 3.260 N/A TYR 169.A OH HIS 61.A O no hydrogen 3.132 N/A GLU 171.A N TYR 178.A O no hydrogen 2.871 N/A ALA 173.A N GLU 176.A O no hydrogen 3.091 N/A SER 174.A OG ALA 173.A O no hydrogen 2.599 N/A TYR 178.A N GLU 171.A O no hydrogen 2.931 N/A ILE 179.A N THR 205.A O no hydrogen 2.895 N/A LYS 180.A N TYR 169.A O no hydrogen 2.817 N/A LYS 180.A NZ SER 168.A O no hydrogen 2.571 N/A LYS 185.A N PRO 182.A O no hydrogen 3.120 N/A LYS 185.A NZ ASN 186.A O no hydrogen 2.988 N/A VAL 187.A N VAL 201.A O no hydrogen 2.914 N/A THR 188.A N TYR 219.A O no hydrogen 2.863 N/A TYR 189.A N GLY 199.A O no hydrogen 2.866 N/A GLU 190.A N ILE 217.A O no hydrogen 2.924 N/A CYS 191.A N SER 197.A O no hydrogen 2.902 N/A CYS 191.A SG GLN 215.A O no hydrogen 2.984 N/A LYS 192.A N GLN 215.A O no hydrogen 3.195 N/A LYS 192.A NZ GLY 194.A O no hydrogen 3.083 N/A CYS 193.A SG GLN 215.A OE1 no hydrogen 3.017 N/A SER 197.A N CYS 191.A O no hydrogen 2.940 N/A GLY 199.A N TYR 189.A O no hydrogen 2.935 N/A VAL 201.A N VAL 187.A O no hydrogen 2.907 N/A SER 202.A OG LYS 185.A O no hydrogen 3.286 N/A SER 202.A OG ASN 186.A OD1 no hydrogen 3.297 N/A THR 205.A N ILE 179.A O no hydrogen 2.901 N/A THR 205.A OG1 THR 203.A O no hydrogen 2.740 N/A LYS 206.A NZ GLU 176.A OE2 no hydrogen 2.293 N/A LYS 206.A NZ MET 207.A O no hydrogen 2.689 N/A MET 207.A N VAL 177.A O no hydrogen 3.027 N/A CYS 210.A SG ASN 208.A O no hydrogen 3.711 N/A GLN 215.A N LYS 212.A O no hydrogen 3.371 N/A CYS 216.A N ALA 213.A O no hydrogen 3.322 N/A ILE 217.A N GLU 190.A O no hydrogen 2.876 N/A TYR 219.A N THR 188.A O no hydrogen 2.909 N/A LYS 220.A NZ ASP 62.A O no hydrogen 3.169 N/A LYS 220.A NZ ASP 62.A OD1 no hydrogen 3.359 N/A LYS 220.A NZ TYR 169.A OH no hydrogen 2.723 N/A THR 224.A N ASP 222.A OD1 no hydrogen 2.974 N/A THR 224.A OG1 ASP 222.A OD1 no hydrogen 2.648 N/A VAL 227.A N HIS 159.A O no hydrogen 2.907 N/A SER 230.A N PHE 228.A O no hydrogen 2.675 N/A SER 230.A OG TYR 2.A OH no hydrogen 3.024 N/A ASP 232.A N SER 230.A OG no hydrogen 3.230 N/A ASP 238.A N HIS 236.A ND1 no hydrogen 3.089 N/A HIS 239.A N THR 237.A O no hydrogen 2.804 N/A GLN 242.A N MET 158.A O no hydrogen 3.147 N/A LEU 245.A N ILE 156.A O no hydrogen 2.923 N/A ILE 247.A N GLY 154.A O no hydrogen 3.018 N/A ARG 250.A N THR 151.A OG1 no hydrogen 2.819 N/A THR 252.A N VAL 144.A O no hydrogen 2.869 N/A THR 252.A OG1 VAL 144.A O no hydrogen 3.158 N/A THR 254.A N CYS 142.A O no hydrogen 2.893 N/A VAL 255.A N THR 254.A OG1 no hydrogen 2.603 N/A CYS 256.A N VAL 140.A O no hydrogen 2.894 N/A VAL 258.A N LYS 138.A O no hydrogen 2.901 N/A THR 265.A N HIS 276.A O no hydrogen 3.138 N/A THR 267.A N THR 274.A O no hydrogen 2.778 N/A LYS 268.A NZ TRP 269.A O no hydrogen 2.834 N/A TRP 269.A N GLY 272.A O no hydrogen 2.831 N/A GLY 272.A N TRP 269.A O no hydrogen 2.948 N/A ILE 273.A N PHE 309.A O no hydrogen 2.872 N/A THR 274.A N THR 267.A O no hydrogen 2.464 N/A THR 274.A OG1 ASN 308.A OD1 no hydrogen 2.705 N/A LEU 275.A N ARG 307.A O no hydrogen 2.896 N/A HIS 276.A N THR 265.A O no hydrogen 2.885 N/A LEU 277.A N THR 305.A O no hydrogen 2.887 N/A ALA 279.A N GLY 303.A O no hydrogen 2.901 N/A THR 283.A N ILE 301.A O no hydrogen 2.923 N/A THR 283.A OG1 ARG 281.A O no hydrogen 3.439 N/A LEU 284.A N ARG 127.A O no hydrogen 2.853 N/A LEU 285.A N GLU 299.A O no hydrogen 2.873 N/A THR 286.A N VAL 319.A O no hydrogen 2.947 N/A THR 287.A N THR 297.A O no hydrogen 2.897 N/A ARG 288.A N GLU 317.A O no hydrogen 2.883 N/A ARG 288.A NE GLU 317.A OE1 no hydrogen 3.398 N/A LYS 289.A N ALA 294.A O no hydrogen 2.393 N/A LYS 289.A NZ SER 310.A O no hydrogen 2.459 N/A LYS 289.A NZ SER 310.A OG no hydrogen 3.002 N/A LEU 290.A N GLY 315.A O no hydrogen 3.467 N/A THR 297.A N THR 287.A O no hydrogen 2.911 N/A GLU 299.A N LEU 285.A O no hydrogen 2.951 N/A ILE 301.A N THR 283.A O no hydrogen 2.882 N/A THR 305.A N LEU 277.A O no hydrogen 2.917 N/A THR 305.A OG1 SER 306.A O no hydrogen 3.558 N/A SER 306.A N THR 305.A OG1 no hydrogen 2.577 N/A ARG 307.A N LEU 275.A O no hydrogen 2.902 N/A PHE 309.A N ILE 273.A O no hydrogen 2.913 N/A VAL 311.A N LYS 271.A O no hydrogen 3.316 N/A GLY 315.A N GLY 312.A O no hydrogen 3.148 N/A LEU 316.A N VAL 328.A O no hydrogen 2.896 N/A GLU 317.A N ARG 288.A O no hydrogen 2.948 N/A TYR 318.A N VAL 326.A O no hydrogen 2.918 N/A VAL 319.A N THR 286.A O no hydrogen 2.856 N/A TRP 320.A NE1 HIS 262.A O no hydrogen 2.251 N/A GLY 321.A N LEU 284.A O no hydrogen 2.829 N/A ASN 322.A N GLU 128.A OE2 no hydrogen 3.244 N/A ASN 322.A ND2 PRO 259.A O no hydrogen 3.676 N/A HIS 323.A N TRP 320.A O no hydrogen 3.346 N/A HIS 323.A NE2 ALA 261.A O no hydrogen 3.061 N/A VAL 326.A N TYR 318.A O no hydrogen 2.929 N/A VAL 328.A N LEU 316.A O no hydrogen 2.907 N/A ALA 330.A N GLY 312.A O no hydrogen 3.179 N/A