Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5wkl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N SER 3.A OG no hydrogen 2.982 N/A VAL 6.A N GLN 298.A OE1 no hydrogen 2.977 N/A HIS 10.A N SER 115.A OG no hydrogen 2.872 N/A SER 12.A OG GLU 16.A OE2 no hydrogen 2.587 N/A VAL 15.A N SER 12.A O no hydrogen 2.999 N/A GLU 16.A N SER 12.A O no hydrogen 2.912 N/A ALA 17.A N GLY 13.A O no hydrogen 3.320 N/A CYS 18.A N VAL 15.A O no hydrogen 2.854 N/A CYS 18.A SG ASP 14.A O no hydrogen 3.613 N/A CYS 18.A SG TRP 33.A O no hydrogen 3.767 N/A MET 19.A N GLU 16.A O no hydrogen 3.281 N/A VAL 20.A N GLY 31.A O no hydrogen 3.010 N/A GLN 21.A N GLN 71.A O no hydrogen 2.653 N/A GLN 21.A NE2 THR 28.A OG1 no hydrogen 2.846 N/A VAL 22.A N LEU 29.A O no hydrogen 2.873 N/A THR 23.A N SER 69.A O no hydrogen 2.803 N/A CYS 24.A N MET 27.A O no hydrogen 3.012 N/A CYS 24.A SG SER 67.A O no hydrogen 3.734 N/A SER 26.A OG SER 26.A O no hydrogen 2.358 N/A MET 27.A N CYS 24.A O no hydrogen 3.209 N/A LEU 29.A N VAL 22.A O no hydrogen 2.902 N/A ASN 30.A N CYS 147.A O no hydrogen 2.919 N/A ASN 30.A ND2 CYS 119.A O no hydrogen 2.981 N/A ASN 30.A ND2 GLY 145.A O no hydrogen 3.118 N/A ASN 30.A ND2 CYS 147.A O no hydrogen 2.895 N/A GLY 31.A N VAL 20.A O no hydrogen 2.947 N/A LEU 32.A N TRP 39.A O no hydrogen 2.855 N/A TRP 33.A N CYS 18.A O no hydrogen 2.737 N/A TRP 33.A NE1 VAL 95.A O no hydrogen 3.158 N/A LEU 34.A N THR 37.A O no hydrogen 2.852 N/A ASP 35.A N THR 100.A OG1 no hydrogen 2.926 N/A ASN 36.A ND2 VAL 93.A O no hydrogen 3.032 N/A THR 37.A N LEU 34.A O no hydrogen 2.877 N/A VAL 38.A N LEU 91.A O no hydrogen 2.669 N/A TRP 39.A N LEU 32.A O no hydrogen 2.893 N/A CYS 40.A N LEU 89.A O no hydrogen 3.152 N/A CYS 40.A SG PRO 41.A O no hydrogen 3.651 N/A ARG 42.A N THR 87.A O no hydrogen 3.082 N/A ARG 42.A NE ASP 189.A OD2 no hydrogen 2.774 N/A ARG 42.A NH2 ASP 189.A OD1 no hydrogen 2.762 N/A HIS 43.A ND1 GLN 166.A OE1 no hydrogen 3.186 N/A VAL 44.A N PRO 41.A O no hydrogen 3.264 N/A MET 45.A N ARG 42.A O no hydrogen 3.043 N/A CYS 46.A N HIS 43.A O no hydrogen 3.092 N/A CYS 46.A SG PRO 47.A O no hydrogen 3.314 N/A GLN 50.A N PRO 47.A O no hydrogen 2.898 N/A LEU 51.A N ALA 48.A O no hydrogen 2.986 N/A TYR 56.A OH ASP 189.A O no hydrogen 2.657 N/A ALA 58.A N ASN 55.A OD1 no hydrogen 3.215 N/A LEU 59.A N ASN 55.A O no hydrogen 3.064 N/A LEU 60.A N TYR 56.A O no hydrogen 2.833 N/A ILE 61.A N ASP 57.A O no hydrogen 3.186 N/A SER 62.A N ALA 58.A O no hydrogen 2.969 N/A SER 62.A OG LEU 59.A O no hydrogen 2.729 N/A MET 63.A N LEU 60.A O no hydrogen 3.149 N/A THR 64.A N SER 67.A OG no hydrogen 2.933 N/A HIS 66.A N THR 64.A OG1 no hydrogen 3.163 N/A SER 67.A N THR 64.A O no hydrogen 3.102 N/A SER 67.A OG THR 64.A O no hydrogen 3.255 N/A PHE 68.A N ASN 65.A O no hydrogen 3.284 N/A SER 69.A N THR 23.A O no hydrogen 2.792 N/A GLN 71.A N GLN 21.A O no hydrogen 2.860 N/A GLN 71.A NE2 ASN 76.A OD1 no hydrogen 3.645 N/A LYS 72.A N ALA 75.A O no hydrogen 2.788 N/A HIS 73.A NE2 GLN 21.A OE1 no hydrogen 2.439 N/A LEU 77.A N VAL 70.A O no hydrogen 2.885 N/A VAL 80.A N THR 92.A O no hydrogen 2.664 N/A GLY 81.A N THR 92.A O no hydrogen 3.207 N/A HIS 82.A ND1 ASN 65.A OD1 no hydrogen 2.730 N/A ALA 83.A N LYS 90.A O no hydrogen 2.848 N/A GLN 85.A N LEU 88.A O no hydrogen 2.752 N/A GLN 85.A NE2 ASP 180.A O no hydrogen 2.937 N/A THR 87.A N GLY 181.A O no hydrogen 2.768 N/A THR 87.A OG1 SER 177.A OG no hydrogen 2.596 N/A THR 87.A OG1 GLY 181.A O no hydrogen 2.901 N/A LEU 88.A N GLN 85.A O no hydrogen 3.022 N/A LEU 89.A N CYS 40.A O no hydrogen 2.763 N/A LYS 90.A N ALA 83.A O no hydrogen 2.725 N/A LEU 91.A N VAL 38.A O no hydrogen 2.785 N/A THR 92.A N GLY 81.A O no hydrogen 2.757 N/A VAL 93.A N ASN 36.A O no hydrogen 2.903 N/A ASP 94.A N ARG 78.A O no hydrogen 3.129 N/A ASN 97.A N ASP 35.A O no hydrogen 3.002 N/A ASN 97.A ND2 ALA 17.A O no hydrogen 3.240 N/A ASN 97.A ND2 TRP 33.A O no hydrogen 2.879 N/A SER 99.A N ASN 97.A OD1 no hydrogen 2.836 N/A THR 100.A N ASN 97.A O no hydrogen 3.150 N/A THR 100.A OG1 ASN 97.A O no hydrogen 2.710 N/A TYR 103.A OH ASP 35.A OD2 no hydrogen 3.209 N/A THR 104.A N ILE 159.A O no hydrogen 2.903 N/A THR 106.A N PHE 161.A O no hydrogen 2.980 N/A VAL 108.A N TYR 184.A OH no hydrogen 3.008 N/A GLY 111.A N MET 132.A O no hydrogen 2.780 N/A ALA 112.A N LYS 109.A O no hydrogen 2.902 N/A PHE 114.A N VAL 130.A O no hydrogen 2.861 N/A SER 115.A N TYR 152.A O no hydrogen 2.903 N/A VAL 116.A N PHE 128.A O no hydrogen 2.695 N/A LEU 117.A N VAL 150.A O no hydrogen 2.951 N/A ALA 118.A N GLY 126.A O no hydrogen 2.754 N/A CYS 119.A N SER 149.A OG no hydrogen 2.927 N/A CYS 119.A SG LEU 117.A O no hydrogen 3.658 N/A TYR 120.A N ARG 123.A O no hydrogen 3.124 N/A GLY 122.A N ASN 30.A OD1 no hydrogen 2.776 N/A ARG 123.A N TYR 120.A O no hydrogen 2.868 N/A THR 125.A N ALA 118.A O no hydrogen 2.788 N/A THR 125.A OG1.A ALA 118.A O no hydrogen 3.316 N/A THR 125.A OG1.B ARG 123.A O no hydrogen 3.113 N/A GLY 126.A N ALA 118.A O no hydrogen 3.236 N/A THR 127.A OG1 VAL 116.A O no hydrogen 2.634 N/A PHE 128.A N VAL 116.A O no hydrogen 3.095 N/A THR 129.A OG1 PHE 114.A O no hydrogen 2.999 N/A VAL 130.A N PHE 114.A O no hydrogen 2.964 N/A MET 132.A N ALA 112.A O no hydrogen 3.007 N/A ARG 133.A N THR 137.A O no hydrogen 2.892 N/A ARG 133.A NE ASP 199.A OD1 no hydrogen 3.445 N/A ARG 133.A NE ASP 199.A OD2 no hydrogen 2.933 N/A ARG 133.A NH1 ASP 288.A OD1 no hydrogen 3.090 N/A ARG 133.A NH1 ASP 288.A OD2 no hydrogen 3.535 N/A ARG 133.A NH2 LYS 200.A O no hydrogen 2.859 N/A ARG 133.A NH2 ASP 288.A OD2 no hydrogen 2.839 N/A ASN 135.A ND2 LEU 197.A O no hydrogen 3.005 N/A TYR 136.A N ARG 133.A O no hydrogen 2.891 N/A THR 137.A N ASN 135.A OD1 no hydrogen 3.418 N/A THR 137.A OG1 ASN 135.A OD1 no hydrogen 2.875 N/A ILE 138.A N HIS 174.A O no hydrogen 2.809 N/A GLY 140.A N HIS 174.A ND1 no hydrogen 3.247 N/A LEU 143.A N TYR 120.A OH no hydrogen 2.875 N/A SER 146.A N LEU 143.A O no hydrogen 3.056 N/A SER 146.A OG LEU 143.A O no hydrogen 2.742 N/A CYS 147.A SG HIS 165.A O no hydrogen 3.735 N/A CYS 147.A SG GLN 166.A O no hydrogen 3.171 N/A GLY 148.A N HIS 165.A O no hydrogen 3.124 N/A SER 149.A N SER 146.A O no hydrogen 2.989 N/A SER 149.A OG SER 146.A O no hydrogen 2.630 N/A GLY 151.A N TYR 163.A O no hydrogen 2.761 N/A TYR 152.A N SER 115.A O no hydrogen 2.813 N/A THR 153.A N ASN 160.A O no hydrogen 2.941 N/A THR 153.A OG1 ASN 160.A OD1 no hydrogen 3.166 N/A GLU 155.A N VAL 158.A O no hydrogen 2.947 N/A VAL 158.A N GLU 155.A O no hydrogen 3.035 N/A ILE 159.A N ALA 102.A O no hydrogen 2.943 N/A ASN 160.A N THR 153.A O no hydrogen 2.843 N/A ASN 160.A ND2 THR 104.A OG1 no hydrogen 2.850 N/A PHE 161.A N THR 104.A O no hydrogen 2.856 N/A CYS 162.A N GLY 151.A O no hydrogen 2.928 N/A TYR 163.A OH HIS 165.A ND1 no hydrogen 2.883 N/A MET 164.A N SER 177.A O no hydrogen 2.800 N/A HIS 165.A N SER 149.A O no hydrogen 2.845 N/A HIS 165.A ND1 TYR 163.A OH no hydrogen 2.883 N/A GLN 166.A N THR 175.A O no hydrogen 3.123 N/A GLN 166.A NE2 THR 87.A O no hydrogen 3.134 N/A GLN 166.A NE2 SER 177.A OG no hydrogen 2.873 N/A MET 167.A N THR 175.A O no hydrogen 3.028 N/A LEU 169.A N THR 173.A O no hydrogen 2.727 N/A GLY 172.A N LEU 169.A O no hydrogen 2.909 N/A THR 173.A N ASN 171.A OD1 no hydrogen 3.169 N/A THR 173.A OG1 ASN 171.A OD1 no hydrogen 2.743 N/A HIS 174.A N ILE 138.A O no hydrogen 2.869 N/A HIS 174.A NE2 GLU 168.A OE1 no hydrogen 2.928 N/A THR 175.A N MET 167.A O no hydrogen 3.003 N/A THR 175.A OG1 TYR 136.A O no hydrogen 3.008 N/A GLY 176.A N THR 175.A OG1 no hydrogen 2.831 N/A SER 177.A N MET 164.A O no hydrogen 2.900 N/A SER 177.A OG THR 87.A OG1 no hydrogen 2.596 N/A ALA 178.A N THR 182.A O no hydrogen 2.838 N/A GLY 181.A N ALA 178.A O no hydrogen 2.830 N/A THR 182.A N ASP 180.A OD1 no hydrogen 2.979 N/A THR 182.A OG1 ASP 180.A OD1 no hydrogen 2.860 N/A TYR 184.A N GLY 176.A O no hydrogen 2.922 N/A TYR 184.A OH CYS 162.A O no hydrogen 2.684 N/A MET 188.A N GLN 194.A OE1 no hydrogen 2.996 N/A GLN 191.A N LEU 51.A O no hydrogen 2.994 N/A VAL 192.A N LYS 190.A O no hydrogen 2.923 N/A GLN 194.A NE2 MET 188.A O no hydrogen 2.862 N/A GLN 194.A NE2 LYS 190.A O no hydrogen 3.202 N/A GLN 194.A NE2 VAL 192.A O no hydrogen 3.597 N/A LYS 200.A N ASP 199.A OD1 no hydrogen 2.868 N/A TYR 201.A N GLN 240.A O no hydrogen 2.982 N/A CYS 202.A N ASP 288.A OD2 no hydrogen 2.809 N/A SER 203.A N THR 242.A OG1 no hydrogen 2.738 N/A SER 203.A OG.A THR 242.A O no hydrogen 2.554 N/A SER 203.A OG.A THR 242.A OG1 no hydrogen 3.368 N/A SER 203.A OG.B THR 242.A O no hydrogen 3.300 N/A ASN 205.A N CYS 202.A O no hydrogen 3.021 N/A ASN 205.A ND2 GLY 111.A O no hydrogen 2.963 N/A ASN 205.A ND2 ASP 288.A O no hydrogen 2.888 N/A VAL 206.A N CYS 202.A O no hydrogen 3.079 N/A VAL 207.A N SER 203.A O no hydrogen 2.957 N/A ALA 208.A N VAL 204.A O no hydrogen 3.027 N/A TRP 209.A N ASN 205.A O no hydrogen 2.938 N/A LEU 210.A N VAL 206.A O no hydrogen 2.864 N/A TYR 211.A N VAL 207.A O no hydrogen 2.921 N/A TYR 211.A OH VAL 259.A O no hydrogen 2.708 N/A ALA 212.A N ALA 208.A O no hydrogen 2.917 N/A ALA 213.A N TRP 209.A O no hydrogen 2.931 N/A ILE 214.A N LEU 210.A O no hydrogen 3.115 N/A LEU 215.A N TYR 211.A O no hydrogen 2.854 N/A ASN 216.A N ALA 213.A O no hydrogen 2.925 N/A ASN 216.A ND2 SER 3.A O no hydrogen 3.035 N/A ASN 216.A ND2 ALA 212.A O no hydrogen 2.938 N/A GLY 217.A N ILE 214.A O no hydrogen 2.930 N/A CYS 218.A N ALA 213.A O no hydrogen 2.860 N/A TRP 220.A NE1 GLN 279.A O no hydrogen 3.032 N/A VAL 222.A N ALA 219.A O no hydrogen 2.936 N/A THR 227.A N GLU 262.A O no hydrogen 3.013 N/A THR 227.A OG1 GLN 269.A OE1 no hydrogen 2.464 N/A SER 231.A N SER 228.A OG no hydrogen 2.757 N/A PHE 232.A N SER 228.A O no hydrogen 2.774 N/A ASN 233.A N VAL 229.A O no hydrogen 2.830 N/A ASN 233.A ND2 PHE 244.A O no hydrogen 3.233 N/A GLU 234.A N VAL 230.A O no hydrogen 3.219 N/A TRP 235.A N SER 231.A O no hydrogen 3.100 N/A ALA 236.A N PHE 232.A O no hydrogen 2.646 N/A LEU 237.A N ASN 233.A O no hydrogen 3.173 N/A ALA 238.A N TRP 235.A O no hydrogen 2.856 N/A ASN 239.A N ALA 236.A O no hydrogen 2.959 N/A ASN 239.A ND2 TRP 235.A O no hydrogen 2.946 N/A PHE 241.A N ALA 236.A O no hydrogen 3.241 N/A THR 242.A N TYR 201.A O no hydrogen 2.814 N/A THR 242.A OG1 TYR 201.A O no hydrogen 3.203 N/A THR 242.A OG1 SER 203.A OG.A no hydrogen 3.368 N/A PHE 244.A N ASN 233.A OD1 no hydrogen 2.760 N/A SER 249.A OG.A ASN 296.A OD1 no hydrogen 2.921 N/A SER 249.A OG.B GLU 293.A OE2 no hydrogen 3.218 N/A VAL 250.A N THR 247.A OG1 no hydrogen 3.305 N/A ASP 251.A N THR 247.A O no hydrogen 2.939 N/A MET 252.A N GLN 248.A O no hydrogen 3.050 N/A LEU 253.A N SER 249.A O no hydrogen 3.414 N/A ALA 254.A N VAL 250.A O no hydrogen 3.037 N/A VAL 255.A N ASP 251.A O no hydrogen 2.971 N/A LYS 256.A N MET 252.A O no hydrogen 2.978 N/A THR 257.A N LEU 253.A O no hydrogen 3.026 N/A THR 257.A OG1 LEU 253.A O no hydrogen 2.886 N/A GLY 258.A N ALA 254.A O no hydrogen 2.826 N/A VAL 259.A N THR 257.A OG1 no hydrogen 3.209 N/A ALA 260.A N GLN 263.A OE1 no hydrogen 2.930 N/A GLU 262.A N GLU 262.A OE1 no hydrogen 2.821 N/A GLN 263.A N ALA 260.A O no hydrogen 3.033 N/A GLN 263.A NE2 LYS 223.A O no hydrogen 2.927 N/A LEU 264.A N ALA 260.A O no hydrogen 3.394 N/A LEU 265.A N ILE 261.A O no hydrogen 2.810 N/A TYR 266.A N GLU 262.A O no hydrogen 3.084 N/A ALA 267.A N GLN 263.A O no hydrogen 3.006 N/A ILE 268.A N LEU 264.A O no hydrogen 2.881 N/A GLN 269.A N LEU 265.A O no hydrogen 3.234 N/A GLN 270.A N TYR 266.A O no hydrogen 3.143 N/A LEU 271.A N ALA 267.A O no hydrogen 2.712 N/A TYR 272.A N ILE 268.A O no hydrogen 2.840 N/A THR 273.A OG1 GLN 270.A O no hydrogen 2.490 N/A LYS 278.A N PHE 275.A O no hydrogen 2.989 N/A ILE 280.A N SER 283.A O no hydrogen 2.847 N/A SER 283.A N ILE 280.A O no hydrogen 2.856 N/A SER 283.A OG MET 285.A O no hydrogen 3.123 N/A MET 285.A N SER 283.A OG no hydrogen 3.405 N/A GLU 289.A N GLU 287.A OE2 no hydrogen 2.956 N/A THR 291.A N ASP 294.A OD2 no hydrogen 3.088 N/A THR 291.A OG1 GLU 293.A OE1 no hydrogen 3.471 N/A ASP 294.A N THR 291.A OG1 no hydrogen 2.930 N/A VAL 295.A N THR 291.A O no hydrogen 3.056 N/A ASN 296.A N PRO 292.A O no hydrogen 2.920 N/A MET 297.A N GLU 293.A O no hydrogen 2.812 N/A GLN 298.A N ASP 294.A O no hydrogen 2.807 N/A GLN 298.A NE2 VAL 6.A O no hydrogen 3.013 N/A ILE 299.A N VAL 295.A O no hydrogen 3.084 N/A MET 300.A N ASN 296.A O no hydrogen 3.232 N/A GLY 301.A N MET 297.A O no hydrogen 3.018 N/A VAL 302.A N ASN 296.A O no hydrogen 2.892 N/A