Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2a1u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A N THR 88.A OG1 no hydrogen 2.919 N/A SER 3.A OG GLU 32.A OE1 no hydrogen 3.281 N/A THR 4.A N GLU 32.A O no hydrogen 2.858 N/A LEU 5.A N HIS 89.A O no hydrogen 2.965 N/A VAL 6.A N SER 34.A O no hydrogen 2.737 N/A ILE 7.A N CYS 91.A O no hydrogen 2.886 N/A ALA 8.A N LEU 36.A O no hydrogen 2.855 N/A GLU 9.A N THR 19.A OG1 no hydrogen 2.779 N/A HIS 10.A NE2 ALA 38.A O no hydrogen 2.582 N/A ALA 11.A N SER 14.A O no hydrogen 3.032 N/A ALA 16.A N GLU 9.A O no hydrogen 2.784 N/A THR 19.A N ALA 16.A O no hydrogen 2.984 N/A LEU 20.A N PRO 17.A O no hydrogen 2.901 N/A ASN 21.A ND2 PHE 155.A O no hydrogen 2.567 N/A THR 22.A N ILE 18.A O no hydrogen 3.048 N/A THR 22.A OG1 ILE 18.A O no hydrogen 2.784 N/A ILE 23.A N THR 19.A O no hydrogen 2.885 N/A THR 24.A N LEU 20.A O no hydrogen 3.378 N/A THR 24.A OG1 LEU 20.A O no hydrogen 3.512 N/A THR 24.A OG1 ASP 156.A O no hydrogen 2.572 N/A ALA 25.A N ASN 21.A O no hydrogen 3.091 N/A ALA 26.A N THR 22.A O no hydrogen 3.023 N/A THR 27.A N ILE 23.A O no hydrogen 3.087 N/A THR 27.A N THR 24.A O no hydrogen 3.022 N/A THR 27.A OG1 THR 24.A O no hydrogen 2.552 N/A ARG 28.A N ALA 25.A O no hydrogen 2.848 N/A LEU 29.A N ALA 26.A O no hydrogen 3.109 N/A GLY 30.A N THR 27.A O no hydrogen 3.150 N/A GLU 32.A N GLN 2.A O no hydrogen 3.021 N/A SER 34.A N THR 4.A O no hydrogen 2.776 N/A CYS 35.A N LYS 57.A O no hydrogen 2.873 N/A CYS 35.A SG VAL 6.A O no hydrogen 3.536 N/A LEU 36.A N VAL 6.A O no hydrogen 2.823 N/A VAL 37.A N LEU 59.A O no hydrogen 2.839 N/A GLY 39.A N ALA 61.A O no hydrogen 2.978 N/A LYS 41.A NZ ASP 13.A OD1 no hydrogen 3.432 N/A CYS 42.A N GLN 62.A OE1 no hydrogen 2.593 N/A CYS 42.A SG VAL 37.A O no hydrogen 3.981 N/A CYS 42.A SG ALA 61.A O no hydrogen 3.515 N/A ALA 46.A N CYS 42.A O no hydrogen 2.887 N/A GLN 47.A N ASP 43.A O no hydrogen 2.877 N/A ASP 48.A N LYS 44.A O no hydrogen 2.856 N/A LEU 49.A N VAL 45.A O no hydrogen 2.855 N/A CYS 50.A N ALA 46.A O no hydrogen 2.953 N/A CYS 50.A SG ALA 46.A O no hydrogen 3.438 N/A CYS 50.A SG ALA 165.A O no hydrogen 3.929 N/A CYS 50.A SG SER 166.A O no hydrogen 3.991 N/A LYS 51.A N ASP 48.A O no hydrogen 3.102 N/A VAL 52.A N LEU 49.A O no hydrogen 3.031 N/A ALA 53.A N ALA 159.A O no hydrogen 3.165 N/A ALA 56.A N VAL 33.A O no hydrogen 2.868 N/A LYS 57.A N VAL 33.A O no hydrogen 3.505 N/A LYS 57.A NZ GLU 32.A OE2 no hydrogen 2.727 N/A VAL 58.A N SER 166.A O no hydrogen 2.624 N/A LEU 59.A N CYS 35.A O no hydrogen 2.877 N/A VAL 60.A N GLU 168.A O no hydrogen 2.848 N/A ALA 61.A N VAL 37.A O no hydrogen 2.715 N/A HIS 63.A N GLY 39.A O no hydrogen 2.953 N/A TYR 66.A N HIS 63.A O no hydrogen 3.156 N/A TYR 66.A OH THR 173.A OG1 no hydrogen 2.633 N/A LYS 67.A N ASP 64.A O no hydrogen 3.222 N/A LEU 69.A N TYR 66.A O no hydrogen 3.052 N/A GLU 72.A N GLU 72.A OE1 no hydrogen 2.747 N/A GLU 73.A N LEU 70.A O no hydrogen 3.126 N/A LEU 74.A N LEU 70.A O no hydrogen 2.898 N/A THR 75.A N PRO 71.A O no hydrogen 2.981 N/A THR 75.A OG1 PRO 71.A O no hydrogen 2.661 N/A ILE 78.A N LEU 74.A O no hydrogen 2.879 N/A LEU 79.A N THR 75.A O no hydrogen 2.818 N/A ALA 80.A N PRO 76.A O no hydrogen 2.842 N/A THR 81.A N LEU 77.A O no hydrogen 2.983 N/A THR 81.A OG1 LEU 77.A O no hydrogen 2.885 N/A GLN 82.A N ILE 78.A O no hydrogen 2.897 N/A GLN 82.A NE2 TYR 87.A O no hydrogen 2.995 N/A LYS 83.A N LEU 79.A O no hydrogen 3.021 N/A GLN 84.A N ALA 80.A O no hydrogen 3.173 N/A PHE 85.A N THR 81.A O no hydrogen 3.016 N/A ASN 86.A N.A GLN 82.A O no hydrogen 2.685 N/A ASN 86.A N.B GLN 82.A O no hydrogen 2.762 N/A ASN 86.A ND2.A LYS 83.A O no hydrogen 3.607 N/A TYR 87.A N.A GLN 82.A OE1 no hydrogen 2.914 N/A TYR 87.A N.B GLN 82.A OE1 no hydrogen 2.915 N/A THR 88.A N SER 3.A O no hydrogen 2.856 N/A THR 88.A OG1 GLN 2.A OE1 no hydrogen 3.317 N/A THR 88.A OG1 SER 3.A O no hydrogen 3.198 N/A THR 88.A OG1 HIS 89.A ND1 no hydrogen 2.686 N/A HIS 89.A N SER 3.A O no hydrogen 3.267 N/A HIS 89.A ND1 THR 88.A OG1 no hydrogen 2.686 N/A HIS 89.A NE2 PRO 123.A O no hydrogen 2.785 N/A ILE 90.A N LYS 146.A O no hydrogen 2.928 N/A CYS 91.A N LEU 5.A O no hydrogen 2.921 N/A ALA 92.A N PHE 148.A O no hydrogen 3.383 N/A ALA 94.A N VAL 150.A O no hydrogen 2.744 N/A SER 95.A OG GLU 9.A OE1 no hydrogen 2.440 N/A SER 95.A OG GLY 93.A O no hydrogen 3.472 N/A GLY 98.A N SER 95.A OG no hydrogen 3.268 N/A LYS 99.A N SER 95.A O no hydrogen 2.805 N/A ASN 100.A N ALA 96.A O no hydrogen 2.920 N/A LEU 101.A N PHE 97.A O no hydrogen 3.137 N/A LEU 102.A N GLY 98.A O no hydrogen 3.070 N/A VAL 105.A N LEU 101.A O no hydrogen 3.258 N/A ALA 106.A N LEU 102.A O no hydrogen 2.915 N/A ALA 107.A N PRO 103.A O no hydrogen 3.023 N/A LYS 108.A N ARG 104.A O no hydrogen 3.070 N/A LEU 109.A N VAL 105.A O no hydrogen 2.930 N/A GLU 110.A N ALA 107.A O no hydrogen 2.853 N/A VAL 111.A N ALA 106.A O no hydrogen 2.923 N/A ALA 112.A N GLU 143.A OE2 no hydrogen 2.879 N/A ILE 114.A N VAL 147.A O no hydrogen 2.860 N/A ASP 116.A N SER 149.A OG no hydrogen 2.884 N/A ILE 117.A N SER 149.A O no hydrogen 2.973 N/A ILE 118.A N VAL 127.A O no hydrogen 2.816 N/A ALA 119.A N VAL 127.A O no hydrogen 3.397 N/A LYS 121.A N THR 125.A O no hydrogen 3.018 N/A SER 122.A N THR 125.A O no hydrogen 3.452 N/A SER 122.A OG ASP 124.A OD1 no hydrogen 3.055 N/A THR 125.A N SER 122.A O no hydrogen 3.091 N/A THR 125.A OG1 SER 122.A OG no hydrogen 3.163 N/A THR 125.A OG1 ASP 124.A OD1 no hydrogen 2.846 N/A PHE 126.A N VAL 139.A O no hydrogen 2.853 N/A VAL 127.A N ALA 119.A O no hydrogen 2.919 N/A ARG 128.A N CYS 137.A O no hydrogen 2.977 N/A ARG 128.A NE SER 115.A O no hydrogen 2.788 N/A ILE 130.A N ALA 135.A O no hydrogen 2.921 N/A GLY 133.A N ILE 130.A O no hydrogen 3.106 N/A ASN 134.A N TYR 131.A O no hydrogen 3.183 N/A ASN 134.A ND2 TYR 131.A O no hydrogen 3.227 N/A ALA 135.A N ILE 130.A O no hydrogen 3.278 N/A CYS 137.A N ARG 128.A O no hydrogen 2.715 N/A VAL 139.A N PHE 126.A O no hydrogen 2.821 N/A LYS 140.A NZ ASP 142.A OD1 no hydrogen 2.842 N/A LYS 140.A NZ ASP 142.A OD2 no hydrogen 3.286 N/A CYS 141.A N ASP 124.A O no hydrogen 2.643 N/A LYS 146.A N THR 88.A O no hydrogen 2.776 N/A LYS 146.A NZ CYS 141.A O no hydrogen 3.218 N/A LYS 146.A NZ GLU 143.A O no hydrogen 2.621 N/A PHE 148.A N ILE 90.A O no hydrogen 3.030 N/A SER 149.A N ILE 114.A O no hydrogen 2.981 N/A VAL 150.A N ALA 92.A O no hydrogen 2.950 N/A ARG 151.A N ILE 117.A O no hydrogen 2.797 N/A ARG 151.A NE ASP 116.A OD1 no hydrogen 3.110 N/A ARG 151.A NE ASP 116.A OD2 no hydrogen 3.250 N/A ARG 151.A NH2 ASP 116.A OD2 no hydrogen 2.568 N/A SER 154.A N ARG 151.A O no hydrogen 3.000 N/A ALA 158.A N LEU 20.A O no hydrogen 3.127 N/A GLY 163.A N LYS 51.A O no hydrogen 2.743 N/A SER 166.A N ALA 56.A O no hydrogen 2.891 N/A SER 166.A OG ALA 56.A O no hydrogen 3.305 N/A GLU 168.A N VAL 58.A O no hydrogen 3.080 N/A ALA 170.A N VAL 60.A O no hydrogen 2.837 N/A THR 173.A OG1 TYR 66.A OH no hydrogen 2.633 N/A VAL 176.A N GLU 73.A OE1 no hydrogen 2.981 N/A VAL 176.A N GLU 73.A OE2 no hydrogen 3.163 N/A GLU 177.A N GLU 73.A OE2 no hydrogen 2.849 N/A SER 179.A OG GLU 72.A OE1 no hydrogen 2.768 N/A THR 187.A OG1 ASP 242.A OD1 no hydrogen 2.544 N/A THR 187.A OG1 ASP 242.A OD2 no hydrogen 3.241 N/A ARG 191.A N SER 189.A OG no hydrogen 2.816 N/A THR 195.A N GLU 193.A OE2 no hydrogen 3.102 N/A THR 195.A OG1 GLU 193.A OE1 no hydrogen 2.701 N/A THR 195.A OG1 GLU 193.A OE2 no hydrogen 2.850 N/A GLY 196.A N GLU 193.A O no hydrogen 3.314 N/A GLY 196.A N GLU 193.A OE1 no hydrogen 3.210 N/A ALA 197.A N GLU 193.A O no hydrogen 3.010 N/A VAL 200.A N LEU 256.A O no hydrogen 2.954 N/A VAL 201.A N ALA 226.A O no hydrogen 2.804 N/A SER 202.A N ILE 258.A O no hydrogen 2.838 N/A SER 202.A OG TYR 257.A OH no hydrogen 2.776 N/A GLY 203.A N GLY 228.A O no hydrogen 3.204 N/A GLY 204.A N VAL 260.A O no hydrogen 3.074 N/A GLY 206.A N GLY 261.A O no hydrogen 3.274 N/A LEU 207.A N GLY 204.A O no hydrogen 3.339 N/A LYS 208.A N ARG 205.A O no hydrogen 3.044 N/A SER 209.A N LEU 207.A O no hydrogen 2.651 N/A ASN 212.A N SER 209.A OG no hydrogen 2.859 N/A ASN 212.A ND2 LEU 207.A O no hydrogen 2.869 N/A PHE 213.A N SER 209.A O no hydrogen 3.238 N/A PHE 213.A N GLY 210.A O no hydrogen 3.311 N/A LYS 214.A N GLU 211.A O no hydrogen 3.211 N/A LEU 215.A N ASN 212.A O no hydrogen 2.940 N/A LEU 216.A N PHE 213.A O no hydrogen 2.834 N/A TYR 217.A N PHE 213.A O no hydrogen 3.252 N/A ASP 218.A N LYS 214.A O no hydrogen 2.973 N/A LEU 219.A N LEU 215.A O no hydrogen 3.048 N/A ALA 220.A N LEU 216.A O no hydrogen 2.778 N/A ASP 221.A N TYR 217.A O no hydrogen 2.884 N/A GLN 222.A N LEU 219.A O no hydrogen 2.927 N/A LEU 223.A N ALA 220.A O no hydrogen 3.000 N/A ALA 225.A N ALA 220.A O no hydrogen 2.915 N/A ALA 226.A N VAL 199.A O no hydrogen 2.834 N/A GLY 228.A N VAL 201.A O no hydrogen 2.862 N/A SER 230.A N GLY 203.A O no hydrogen 3.125 N/A ALA 233.A N SER 230.A O no hydrogen 3.157 N/A ALA 233.A N SER 230.A OG no hydrogen 3.318 N/A VAL 234.A N SER 230.A O no hydrogen 3.241 N/A ASP 235.A N ARG 231.A O no hydrogen 2.861 N/A ALA 236.A N ALA 232.A O no hydrogen 3.018 N/A GLY 237.A N VAL 234.A O no hydrogen 2.838 N/A PHE 238.A N ALA 233.A O no hydrogen 2.861 N/A MET 243.A N PRO 240.A O no hydrogen 3.098 N/A GLN 244.A N ASN 241.A O no hydrogen 2.916 N/A VAL 245.A N ALA 229.A O no hydrogen 2.920 N/A GLY 246.A N LYS 250.A O no hydrogen 2.996 N/A GLN 247.A N GLN 267.A O no hydrogen 2.860 N/A GLY 249.A N GLY 246.A O no hydrogen 2.973 N/A LYS 250.A N GLN 244.A O no hydrogen 2.800 N/A LYS 250.A NZ ASP 242.A O no hydrogen 3.017 N/A VAL 252.A N GLY 271.A O no hydrogen 2.651 N/A LEU 256.A N LYS 198.A O no hydrogen 3.180 N/A TYR 257.A N THR 277.A O no hydrogen 3.027 N/A TYR 257.A OH HIS 268.A NE2 no hydrogen 2.740 N/A ILE 258.A N VAL 200.A O no hydrogen 2.899 N/A ALA 259.A N VAL 279.A O no hydrogen 2.825 N/A VAL 260.A N SER 202.A O no hydrogen 2.815 N/A GLY 261.A N ILE 281.A O no hydrogen 2.985 N/A HIS 268.A N ALA 265.A O no hydrogen 2.873 N/A HIS 268.A NE2 TYR 257.A OH no hydrogen 2.740 N/A LEU 269.A N ALA 265.A O no hydrogen 2.980 N/A ALA 270.A N ILE 266.A O no hydrogen 2.907 N/A GLY 271.A N HIS 268.A O no hydrogen 2.977 N/A MET 272.A N LEU 269.A O no hydrogen 3.271 N/A LYS 273.A N LEU 269.A O no hydrogen 3.184 N/A LYS 273.A NZ GLY 133.A O no hydrogen 2.925 N/A SER 275.A N MET 272.A O no hydrogen 3.030 N/A SER 275.A OG MET 272.A O no hydrogen 2.603 N/A LYS 276.A N PRO 254.A O no hydrogen 3.029 N/A THR 277.A N GLU 255.A O no hydrogen 3.021 N/A ILE 278.A N ASP 294.A OD1 no hydrogen 2.799 N/A VAL 279.A N TYR 257.A O no hydrogen 2.900 N/A ALA 280.A N TYR 295.A O no hydrogen 2.911 N/A ILE 281.A N ALA 259.A O no hydrogen 2.986 N/A ASN 282.A N ILE 297.A O no hydrogen 3.297 N/A ASN 282.A ND2 ILE 262.A O no hydrogen 3.223 N/A ASP 284.A N ASN 282.A OD1 no hydrogen 2.815 N/A GLU 286.A N ASP 284.A OD1 no hydrogen 2.971 N/A ALA 287.A N ASP 284.A O no hydrogen 2.996 N/A ILE 289.A N SER 263.A O no hydrogen 2.754 N/A PHE 290.A N ALA 287.A O no hydrogen 3.042 N/A GLN 291.A N PRO 288.A O no hydrogen 2.927 N/A VAL 292.A N ILE 289.A O no hydrogen 3.140 N/A ASP 294.A N ILE 278.A O no hydrogen 2.681 N/A TYR 295.A N ILE 278.A O no hydrogen 3.104 N/A ILE 297.A N ALA 280.A O no hydrogen 2.969 N/A ALA 299.A N ASN 282.A O no hydrogen 3.140 N/A PHE 302.A N ASP 300.A OD1 no hydrogen 3.176 N/A LYS 303.A N ASP 300.A O no hydrogen 3.005 N/A LYS 303.A NZ GLU 307.A OE2 no hydrogen 2.959 N/A VAL 304.A N ASP 300.A O no hydrogen 3.060 N/A VAL 305.A N LEU 301.A O no hydrogen 2.997 N/A GLU 307.A N LYS 303.A O no hydrogen 3.275 N/A MET 308.A N VAL 304.A O no hydrogen 2.818 N/A THR 309.A N VAL 305.A O no hydrogen 2.991 N/A THR 309.A OG1 VAL 305.A O no hydrogen 2.947 N/A GLU 310.A N PRO 306.A O no hydrogen 3.006 N/A ILE 311.A N GLU 307.A O no hydrogen 2.982 N/A LEU 312.A N MET 308.A O no hydrogen 2.918 N/A LYS 313.A N THR 309.A O no hydrogen 3.230 N/A LYS 313.A N GLU 310.A O no hydrogen 3.292 N/A LYS 313.A NZ GLN 222.A OE1 no hydrogen 2.941 N/A LYS 314.A N ILE 311.A O no hydrogen 3.080 N/A