Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cls_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N ASP 34.A OD1 no hydrogen 2.788 N/A LYS 2.A NZ GLU 59.A OE1 no hydrogen 3.040 N/A ILE 3.A N LYS 35.A O no hydrogen 2.950 N/A LEU 4.A N VAL 90.A O no hydrogen 2.940 N/A VAL 5.A N VAL 37.A O no hydrogen 2.717 N/A ILE 6.A N LEU 92.A O no hydrogen 3.020 N/A ALA 7.A N ALA 39.A O no hydrogen 2.860 N/A GLU 8.A N SER 18.A OG no hydrogen 2.840 N/A HIS 9.A NE2 ILE 41.A O no hydrogen 2.803 N/A ARG 10.A N ASP 13.A O no hydrogen 2.939 N/A ARG 10.A NH2 ASP 98.A OD1 no hydrogen 2.972 N/A ARG 11.A N ASP 69.A OD2 no hydrogen 2.909 N/A ASP 13.A N ARG 10.A O no hydrogen 3.038 N/A ARG 15.A N GLU 8.A O no hydrogen 2.804 N/A ARG 15.A NH2 GLU 8.A OE2 no hydrogen 2.801 N/A SER 18.A N ARG 15.A O no hydrogen 3.027 N/A SER 18.A OG GLU 8.A O no hydrogen 3.149 N/A SER 18.A OG ARG 15.A O no hydrogen 2.926 N/A LEU 19.A N PRO 16.A O no hydrogen 2.960 N/A LEU 21.A N VAL 17.A O no hydrogen 2.939 N/A ILE 22.A N SER 18.A O no hydrogen 3.307 N/A GLY 23.A N LEU 19.A O no hydrogen 3.077 N/A ALA 24.A N GLU 20.A O no hydrogen 2.928 N/A ALA 25.A N LEU 21.A O no hydrogen 2.814 N/A ASN 26.A N ILE 22.A O no hydrogen 2.936 N/A ASN 26.A ND2 ILE 22.A O no hydrogen 2.855 N/A ASN 26.A ND2 GLY 56.A O no hydrogen 2.826 N/A GLY 27.A N GLY 23.A O no hydrogen 2.943 N/A LEU 28.A N ALA 25.A O no hydrogen 3.133 N/A LYS 29.A N ALA 25.A O no hydrogen 3.240 N/A LYS 29.A NZ ASP 34.A O no hydrogen 3.302 N/A LYS 30.A N ASP 34.A OD2 no hydrogen 2.990 N/A LYS 30.A NZ ASP 126.A OD1 no hydrogen 3.051 N/A SER 31.A N ASP 34.A OD2 no hydrogen 3.355 N/A SER 31.A OG ASP 34.A OD1 no hydrogen 3.439 N/A ASP 34.A N SER 31.A O no hydrogen 3.125 N/A LYS 35.A N SER 1.A O no hydrogen 2.981 N/A VAL 36.A N ASP 58.A OD2 no hydrogen 2.794 N/A VAL 37.A N ILE 3.A O no hydrogen 2.907 N/A VAL 38.A N GLU 59.A O no hydrogen 2.850 N/A ALA 39.A N VAL 5.A O no hydrogen 2.907 N/A VAL 40.A N VAL 61.A O no hydrogen 2.985 N/A GLY 42.A N VAL 63.A O no hydrogen 2.824 N/A SER 43.A N SER 67.A O no hydrogen 2.869 N/A ALA 45.A N GLY 42.A O no hydrogen 3.382 N/A PHE 48.A N ALA 45.A O no hydrogen 3.023 N/A VAL 49.A N ASP 46.A O no hydrogen 3.153 N/A LEU 52.A N PHE 48.A O no hydrogen 3.020 N/A LEU 52.A N VAL 49.A O no hydrogen 3.243 N/A SER 53.A N PRO 50.A O no hydrogen 3.082 N/A SER 53.A OG VAL 49.A O no hydrogen 2.692 N/A ASN 55.A N GLY 165.A O no hydrogen 2.963 N/A ASN 55.A ND2 GLU 164.A O no hydrogen 2.843 N/A VAL 57.A N VAL 54.A O no hydrogen 3.301 N/A ASP 58.A N VAL 36.A O no hydrogen 2.882 N/A GLU 59.A N VAL 36.A O no hydrogen 3.196 N/A LEU 60.A N VAL 170.A O no hydrogen 2.850 N/A VAL 61.A N VAL 38.A O no hydrogen 2.795 N/A VAL 62.A N SER 172.A O no hydrogen 2.781 N/A VAL 63.A N VAL 40.A O no hydrogen 2.872 N/A LYS 64.A N VAL 174.A O no hydrogen 2.994 N/A SER 67.A OG ASP 69.A O no hydrogen 2.705 N/A VAL 74.A N ASP 71.A OD1 no hydrogen 2.860 N/A PHE 75.A N ASP 71.A O no hydrogen 2.876 N/A GLU 76.A N PRO 72.A O no hydrogen 2.982 N/A ALA 77.A N ASP 73.A O no hydrogen 3.133 N/A SER 78.A N VAL 74.A O no hydrogen 2.809 N/A SER 78.A OG VAL 74.A O no hydrogen 2.793 N/A VAL 79.A N PHE 75.A O no hydrogen 2.793 N/A SER 80.A N GLU 76.A O no hydrogen 2.920 N/A ALA 81.A N ALA 77.A O no hydrogen 3.026 N/A LEU 82.A N SER 78.A O no hydrogen 2.878 N/A ILE 83.A N VAL 79.A O no hydrogen 2.902 N/A ALA 84.A N SER 80.A O no hydrogen 3.053 N/A ALA 85.A N ALA 81.A O no hydrogen 2.982 N/A HIS 86.A N LEU 82.A O no hydrogen 2.959 N/A ASN 87.A N.A ILE 83.A O no hydrogen 2.776 N/A ASN 87.A N.B ILE 83.A O no hydrogen 2.768 N/A SER 89.A N.A LYS 2.A O no hydrogen 2.859 N/A SER 89.A N.B LYS 2.A O no hydrogen 2.857 N/A SER 89.A OG.A LYS 2.A O no hydrogen 3.147 N/A VAL 91.A N VAL 151.A O no hydrogen 2.748 N/A LEU 92.A N LEU 4.A O no hydrogen 2.716 N/A LEU 93.A N LEU 153.A O no hydrogen 2.960 N/A HIS 95.A N ILE 155.A O no hydrogen 2.877 N/A HIS 95.A ND1 THR 154.A OG1 no hydrogen 2.722 N/A SER 96.A OG GLU 8.A OE1 no hydrogen 2.607 N/A SER 96.A OG GLU 8.A OE2 no hydrogen 3.343 N/A SER 96.A OG SER 99.A OG no hydrogen 3.402 N/A SER 99.A N SER 96.A OG no hydrogen 3.079 N/A SER 99.A OG PRO 94.A O no hydrogen 2.580 N/A SER 99.A OG SER 96.A OG no hydrogen 3.402 N/A LEU 100.A N SER 96.A O no hydrogen 2.999 N/A GLY 101.A N ASP 98.A O no hydrogen 2.872 N/A TYR 102.A N SER 99.A O no hydrogen 2.987 N/A ALA 103.A N SER 99.A O no hydrogen 2.847 N/A SER 105.A N TYR 102.A O no hydrogen 2.884 N/A SER 105.A OG GLU 76.A OE1 no hydrogen 2.552 N/A SER 105.A OG GLU 76.A OE2 no hydrogen 3.351 N/A LEU 106.A N TYR 102.A O no hydrogen 2.933 N/A ALA 107.A N ALA 103.A O no hydrogen 3.158 N/A SER 108.A N SER 104.A O no hydrogen 3.136 N/A SER 108.A N SER 105.A O no hydrogen 2.981 N/A SER 108.A OG SER 104.A O no hydrogen 2.568 N/A LYS 109.A NZ GLU 76.A OE2 no hydrogen 2.629 N/A THR 110.A OG1 LEU 106.A O no hydrogen 3.220 N/A THR 110.A OG1 ALA 107.A O no hydrogen 3.524 N/A GLY 113.A N THR 150.A O no hydrogen 2.808 N/A ALA 115.A N VAL 152.A O no hydrogen 3.181 N/A ASP 117.A N THR 154.A OG1 no hydrogen 2.893 N/A VAL 118.A N THR 154.A O no hydrogen 3.008 N/A TYR 119.A N THR 131.A O no hydrogen 2.971 N/A TYR 119.A OH ASN 140.A OD1 no hydrogen 2.687 N/A ILE 120.A N THR 131.A O no hydrogen 3.469 N/A GLU 122.A N VAL 129.A O no hydrogen 3.036 N/A GLN 124.A N GLU 127.A O no hydrogen 2.884 N/A GLN 124.A NE2 GLU 122.A OE1 no hydrogen 2.938 N/A GLU 127.A N GLN 124.A O no hydrogen 2.955 N/A VAL 129.A N GLU 122.A O no hydrogen 2.829 N/A ALA 130.A N VAL 143.A O no hydrogen 2.946 N/A THR 131.A N ILE 120.A O no hydrogen 2.813 N/A ARG 132.A N VAL 141.A O no hydrogen 2.964 N/A ARG 132.A NE THR 116.A O no hydrogen 2.834 N/A ARG 132.A NH2 THR 116.A O no hydrogen 3.196 N/A ARG 132.A NH2 THR 116.A OG1 no hydrogen 3.111 N/A GLY 134.A N VAL 139.A O no hydrogen 2.860 N/A GLN 137.A NE2.A TYR 119.A OH no hydrogen 3.198 N/A LYS 138.A N GLY 134.A O no hydrogen 2.973 N/A LYS 138.A N TYR 135.A O no hydrogen 3.276 N/A VAL 139.A N GLY 134.A O no hydrogen 3.109 N/A VAL 141.A N ARG 132.A O no hydrogen 2.774 N/A VAL 143.A N ALA 130.A O no hydrogen 2.787 N/A LYS 148.A N PHE 145.A O no hydrogen 3.030 N/A THR 150.A OG1 PRO 88.A O no hydrogen 3.017 N/A VAL 151.A N SER 89.A O.A no hydrogen 2.971 N/A VAL 151.A N SER 89.A O.B no hydrogen 2.991 N/A VAL 152.A N GLY 113.A O no hydrogen 2.838 N/A LEU 153.A N VAL 91.A O no hydrogen 2.859 N/A THR 154.A N ALA 115.A O no hydrogen 3.065 N/A THR 154.A OG1 HIS 95.A ND1 no hydrogen 2.722 N/A ILE 155.A N LEU 93.A O no hydrogen 2.737 N/A ARG 156.A N VAL 118.A O no hydrogen 2.914 N/A ARG 156.A NE ASP 117.A OD1 no hydrogen 3.026 N/A ARG 156.A NH1 ASP 117.A OD2 no hydrogen 2.851 N/A ARG 156.A NH1 GLN 137.A OE1.A no hydrogen 2.674 N/A SER 158.A N GLU 20.A OE1 no hydrogen 2.694 N/A GLY 167.A N SER 53.A O no hydrogen 3.188 N/A VAL 170.A N ASP 58.A O no hydrogen 3.044 N/A SER 172.A N LEU 60.A O no hydrogen 2.862 N/A ASN 173.A ND2 ASP 46.A OD1 no hydrogen 2.770 N/A VAL 174.A N VAL 62.A O no hydrogen 2.932 N/A ALA 176.A N LYS 64.A O no hydrogen 2.898 N/A VAL 179.A N PRO 177.A O no hydrogen 3.099 N/A SER 181.A OG ASP 71.A OD1 no hydrogen 3.019 N/A SER 181.A OG ASP 71.A OD2 no hydrogen 2.591 N/A SER 181.A OG SER 183.A O no hydrogen 3.070 N/A ARG 182.A N ASP 73.A OD2 no hydrogen 2.867 N/A ARG 182.A NE ASP 73.A OD2 no hydrogen 2.933 N/A ARG 182.A NH2 ASP 73.A OD1 no hydrogen 2.910 N/A SER 183.A N SER 181.A OG no hydrogen 3.200 N/A GLN 184.A NE2 ASN 185.A O no hydrogen 2.996 N/A ASN 185.A ND2 ASP 69.A O no hydrogen 3.607 N/A ASN 185.A ND2 PHE 70.A O no hydrogen 2.904 N/A TYR 188.A OH ASP 69.A OD2 no hydrogen 2.565 N/A THR 200.A N ASP 198.A OD1 no hydrogen 3.166 N/A THR 200.A OG1 ASP 198.A OD1 no hydrogen 2.661 N/A THR 201.A N ASP 198.A O no hydrogen 2.981 N/A THR 201.A OG1 ASP 198.A O no hydrogen 2.439 N/A ILE 205.A N LEU 262.A O no hydrogen 2.862 N/A MET 206.A N THR 231.A O no hydrogen 3.199 N/A SER 207.A N VAL 264.A O no hydrogen 2.699 N/A SER 207.A OG TYR 263.A OH no hydrogen 2.826 N/A ILE 208.A N CYS 233.A O no hydrogen 2.985 N/A GLY 209.A N MET 266.A O no hydrogen 3.062 N/A GLY 211.A N GLY 267.A O no hydrogen 3.152 N/A ILE 212.A N GLY 209.A O no hydrogen 3.056 N/A GLY 213.A N ARG 210.A O no hydrogen 3.046 N/A GLU 214.A N GLU 214.A OE2 no hydrogen 2.758 N/A ASN 217.A N GLU 214.A O no hydrogen 2.979 N/A ASN 217.A ND2 ILE 212.A O no hydrogen 2.830 N/A VAL 218.A N GLU 215.A O no hydrogen 3.004 N/A GLN 220.A NE2 GLU 311.A OE1 no hydrogen 2.687 N/A ARG 222.A N VAL 218.A O no hydrogen 3.011 N/A ARG 222.A NH1 GLU 219.A OE1 no hydrogen 2.860 N/A GLU 223.A N GLU 219.A O no hydrogen 2.881 N/A LEU 224.A N GLN 220.A O no hydrogen 3.027 N/A ALA 225.A N PHE 221.A O no hydrogen 2.912 N/A ASP 226.A N ARG 222.A O no hydrogen 2.989 N/A GLU 227.A N GLU 223.A O no hydrogen 2.772 N/A ALA 228.A N LEU 224.A O no hydrogen 2.807 N/A GLY 229.A N ALA 225.A O no hydrogen 2.764 N/A GLY 229.A N ASP 226.A O no hydrogen 3.272 N/A ALA 230.A N ALA 225.A O no hydrogen 2.885 N/A THR 231.A N PHE 204.A O no hydrogen 2.795 N/A CYS 233.A N MET 206.A O no hydrogen 3.001 N/A CYS 234.A N ARG 248.A O no hydrogen 2.949 N/A CYS 234.A SG SER 235.A O no hydrogen 3.487 N/A CYS 234.A SG ARG 248.A O no hydrogen 3.923 N/A SER 235.A N ILE 208.A O no hydrogen 3.101 N/A CYS 236.A SG ASP 240.A OD2 no hydrogen 3.769 N/A ILE 238.A N SER 235.A O no hydrogen 3.142 N/A ASP 240.A N CYS 236.A O no hydrogen 2.816 N/A ALA 241.A N PRO 237.A O no hydrogen 3.033 N/A GLY 242.A N ALA 239.A O no hydrogen 2.927 N/A TRP 243.A N ILE 238.A O no hydrogen 3.051 N/A LYS 246.A NZ ASP 240.A OD1 no hydrogen 2.740 N/A LYS 246.A NZ GLN 249.A OE1 no hydrogen 2.622 N/A SER 247.A OG GLY 194.A O no hydrogen 2.822 N/A ARG 248.A N PRO 245.A O no hydrogen 2.855 N/A ARG 248.A NH1 LEU 232.A O no hydrogen 2.832 N/A ARG 248.A NH2 ASP 196.A OD1 no hydrogen 3.045 N/A GLN 249.A N LYS 246.A O no hydrogen 2.921 N/A VAL 250.A N CYS 234.A O no hydrogen 2.893 N/A GLY 251.A N LYS 255.A O no hydrogen 2.999 N/A GLN 252.A N GLN 273.A O no hydrogen 2.835 N/A LYS 255.A N GLN 249.A O no hydrogen 2.973 N/A LYS 255.A NZ LYS 246.A O no hydrogen 3.156 N/A VAL 257.A N GLY 277.A O no hydrogen 3.049 N/A GLY 258.A N VAL 256.A O no hydrogen 2.948 N/A SER 259.A OG THR 200.A O no hydrogen 2.939 N/A CYS 260.A N VAL 257.A O no hydrogen 3.061 N/A CYS 260.A SG ASP 203.A O no hydrogen 3.863 N/A CYS 260.A SG LEU 262.A O no hydrogen 3.166 N/A LYS 261.A N ASP 203.A O no hydrogen 2.839 N/A LEU 262.A N ASP 203.A O no hydrogen 3.191 N/A TYR 263.A N THR 283.A O no hydrogen 3.070 N/A TYR 263.A OH HIS 274.A NE2 no hydrogen 2.702 N/A VAL 264.A N ILE 205.A O no hydrogen 2.751 N/A ALA 265.A N ILE 285.A O no hydrogen 2.919 N/A MET 266.A N SER 207.A O no hydrogen 2.775 N/A GLY 267.A N VAL 287.A O no hydrogen 2.996 N/A GLN 273.A N GLN 273.A OE1 no hydrogen 2.734 N/A HIS 274.A N SER 271.A OG no hydrogen 3.068 N/A HIS 274.A NE2 TYR 263.A OH no hydrogen 2.702 N/A MET 275.A N SER 271.A O no hydrogen 2.875 N/A ALA 276.A N ILE 272.A O no hydrogen 2.907 N/A GLY 277.A N HIS 274.A O no hydrogen 2.942 N/A MET 278.A N MET 275.A O no hydrogen 2.969 N/A LYS 279.A N MET 275.A O no hydrogen 2.786 N/A HIS 280.A NE2 VAL 257.A O no hydrogen 2.768 N/A VAL 281.A N MET 278.A O no hydrogen 3.130 N/A THR 283.A N LYS 261.A O no hydrogen 3.200 N/A ILE 285.A N TYR 263.A O no hydrogen 2.946 N/A ALA 286.A N TYR 301.A O no hydrogen 2.852 N/A VAL 287.A N ALA 265.A O no hydrogen 2.957 N/A ASN 288.A N ILE 303.A O no hydrogen 3.096 N/A ASN 288.A ND2 ILE 268.A O no hydrogen 3.052 N/A ASP 290.A N ASN 288.A OD1 no hydrogen 2.873 N/A GLY 292.A N ASP 290.A OD1 no hydrogen 2.892 N/A ALA 293.A N ASP 290.A O no hydrogen 2.892 N/A ILE 295.A N SER 269.A O no hydrogen 2.763 N/A PHE 296.A N ALA 293.A O no hydrogen 3.144 N/A THR 297.A N SER 294.A O no hydrogen 2.915 N/A THR 297.A OG1 SER 294.A O no hydrogen 2.695 N/A ILE 298.A N ILE 295.A O no hydrogen 3.221 N/A ALA 299.A N ILE 295.A O no hydrogen 3.054 N/A LYS 300.A N ILE 284.A O no hydrogen 2.907 N/A TYR 301.A N ILE 284.A O no hydrogen 3.205 N/A ILE 303.A N ALA 286.A O no hydrogen 2.793 N/A ASP 309.A N ASP 306.A OD1 no hydrogen 2.865 N/A ILE 310.A N ASP 306.A O no hydrogen 2.984 N/A GLU 311.A N ILE 307.A O no hydrogen 2.833 N/A GLU 312.A N PHE 308.A O no hydrogen 3.003 N/A GLU 313.A N ASP 309.A O no hydrogen 3.185 N/A LEU 314.A N ILE 310.A O no hydrogen 2.829 N/A LYS 315.A N GLU 311.A O no hydrogen 2.852 N/A ALA 316.A N GLU 312.A O no hydrogen 3.029 N/A GLN 317.A N GLU 313.A O no hydrogen 2.856 N/A GLN 317.A NE2 GLU 313.A OE2 no hydrogen 2.749 N/A LEU 318.A N LEU 314.A O no hydrogen 2.738 N/A