Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cwe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A N ALA 1.A O no hydrogen 3.295 N/A PHE 7.A N ASP 3.A O no hydrogen 2.919 N/A MET 8.A N LYS 4.A O no hydrogen 2.950 N/A GLU 9.A N LEU 5.A O no hydrogen 2.909 N/A MET 10.A N GLU 6.A O no hydrogen 2.989 N/A GLU 11.A N PHE 7.A O no hydrogen 2.855 N/A LYS 12.A N MET 8.A O no hydrogen 2.892 N/A GLU 13.A N GLU 9.A O no hydrogen 2.984 N/A PHE 14.A N MET 10.A O no hydrogen 2.983 N/A GLU 15.A N GLU 11.A O no hydrogen 2.907 N/A GLN 16.A N LYS 12.A O no hydrogen 2.810 N/A ILE 17.A N GLU 13.A O no hydrogen 3.033 N/A ASP 18.A N PHE 14.A O no hydrogen 2.952 N/A LYS 19.A N GLU 15.A O no hydrogen 2.795 N/A SER 20.A N GLN 16.A O no hydrogen 3.023 N/A SER 20.A OG GLN 16.A O no hydrogen 2.946 N/A SER 20.A OG ILE 17.A O no hydrogen 3.179 N/A SER 20.A OG SER 22.A OG no hydrogen 2.744 N/A GLY 21.A N ASP 18.A O no hydrogen 3.111 N/A SER 22.A N ILE 17.A O no hydrogen 3.012 N/A SER 22.A OG SER 20.A OG no hydrogen 2.744 N/A TRP 23.A NE1 ASP 18.A OD1 no hydrogen 2.766 N/A ILE 26.A N SER 22.A O no hydrogen 3.018 N/A TYR 27.A N TRP 23.A O no hydrogen 2.857 N/A TYR 27.A OH ILE 263.A O no hydrogen 2.760 N/A GLN 28.A N ALA 24.A O no hydrogen 2.796 N/A ASP 29.A N ALA 25.A O no hydrogen 2.958 N/A ILE 30.A N ILE 26.A O no hydrogen 3.016 N/A ARG 31.A N TYR 27.A O no hydrogen 2.947 N/A ARG 31.A NH1 GLN 28.A OE1 no hydrogen 2.795 N/A HIS 32.A N GLN 28.A O no hydrogen 2.807 N/A GLU 33.A N ASP 29.A O no hydrogen 2.814 N/A ALA 34.A N ARG 31.A O no hydrogen 3.384 N/A CYS 39.A SG PHE 37.A O no hydrogen 3.812 N/A CYS 39.A SG SER 57.A O no hydrogen 3.926 N/A CYS 39.A SG PRO 58.A O no hydrogen 3.275 N/A ARG 40.A N ASP 60.A OD2 no hydrogen 2.771 N/A VAL 41.A N ASP 60.A OD1 no hydrogen 2.926 N/A LYS 43.A N CYS 39.A O no hydrogen 3.196 N/A LYS 43.A N ARG 40.A O no hydrogen 3.181 N/A LYS 43.A NZ ARG 54.A O no hydrogen 2.594 N/A LEU 44.A N VAL 41.A O no hydrogen 3.075 N/A ASN 47.A N LEU 44.A O no hydrogen 2.837 N/A ASN 47.A ND2 VAL 41.A O no hydrogen 2.899 N/A LYS 48.A N PRO 45.A O no hydrogen 3.138 N/A ARG 50.A N ASN 47.A O no hydrogen 2.850 N/A ARG 50.A NH1 TYR 73.A O no hydrogen 2.887 N/A ASN 51.A N LYS 48.A O no hydrogen 3.347 N/A ASN 51.A ND2 ALA 42.A O no hydrogen 2.947 N/A ARG 52.A N GLN 92.A OE1 no hydrogen 2.878 N/A ARG 52.A NE GLY 93.A O no hydrogen 3.137 N/A ARG 52.A NH2 GLY 93.A O no hydrogen 3.007 N/A TYR 53.A OH SER 218.A OG no hydrogen 2.704 N/A VAL 56.A N TYR 53.A O no hydrogen 3.151 N/A ASP 60.A N PRO 38.A O no hydrogen 2.853 N/A SER 62.A N PHE 59.A O no hydrogen 3.402 N/A SER 62.A OG PHE 258.A O no hydrogen 2.614 N/A ARG 63.A NH1 ASP 72.A OD1 no hydrogen 2.913 N/A ARG 63.A NH2 ASP 72.A OD1 no hydrogen 3.057 N/A ARG 63.A NH2 ASP 72.A OD2 no hydrogen 3.054 N/A ILE 64.A N ALA 76.A O no hydrogen 3.012 N/A LEU 66.A N ASP 72.A O no hydrogen 2.801 N/A HIS 67.A N GLU 108.A OE1 no hydrogen 2.834 N/A GLN 68.A N LEU 66.A O no hydrogen 2.739 N/A GLN 68.A NE2 GLU 104.A OE1 no hydrogen 2.796 N/A ASN 71.A ND2 ASN 47.A OD1 no hydrogen 2.842 N/A TYR 73.A N ASN 71.A OD1 no hydrogen 2.983 N/A TYR 73.A OH ASN 51.A OD1 no hydrogen 2.663 N/A ASN 75.A ND2 ASN 51.A OD1 no hydrogen 2.910 N/A ASN 75.A ND2 VAL 56.A O no hydrogen 2.924 N/A SER 77.A N LEU 90.A O no hydrogen 2.870 N/A LEU 78.A N SER 62.A O no hydrogen 2.815 N/A ILE 79.A N TYR 88.A O no hydrogen 2.769 N/A MET 81.A N ARG 86.A O no hydrogen 2.824 N/A GLN 85.A N GLU 82.A O no hydrogen 3.239 N/A ARG 86.A N MET 81.A O no hydrogen 3.175 N/A ARG 86.A NE ASP 231.A OD2 no hydrogen 3.129 N/A ARG 86.A NH2 ASP 231.A OD1 no hydrogen 3.052 N/A ARG 86.A NH2 ASP 231.A OD2 no hydrogen 3.019 N/A TYR 88.A N ILE 79.A O no hydrogen 2.869 N/A TYR 88.A OH ASP 231.A OD2 no hydrogen 2.550 N/A TYR 88.A OH THR 232.A OG1 no hydrogen 2.776 N/A ILE 89.A N VAL 213.A O no hydrogen 2.849 N/A LEU 90.A N SER 77.A O no hydrogen 2.911 N/A THR 91.A N VAL 215.A O no hydrogen 2.960 N/A THR 91.A OG1 ASN 75.A O no hydrogen 2.612 N/A GLN 92.A N ASN 75.A O no hydrogen 3.357 N/A GLN 92.A NE2 ARG 50.A O no hydrogen 2.922 N/A GLY 93.A N SER 218.A O no hydrogen 2.898 N/A LEU 95.A N THR 98.A OG1 no hydrogen 2.840 N/A ASN 97.A ND2 ASN 49.A O no hydrogen 2.890 N/A THR 98.A N LEU 95.A O no hydrogen 2.929 N/A THR 98.A OG1 LEU 95.A O no hydrogen 3.554 N/A CYS 99.A SG LEU 95.A O no hydrogen 3.336 N/A PHE 102.A N THR 98.A O no hydrogen 2.880 N/A TRP 103.A N CYS 99.A O no hydrogen 3.124 N/A TRP 103.A NE1 TYR 126.A O no hydrogen 2.844 N/A GLU 104.A N GLY 100.A O no hydrogen 2.872 N/A MET 105.A N HIS 101.A O no hydrogen 2.841 N/A VAL 106.A N PHE 102.A O no hydrogen 2.966 N/A TRP 107.A N TRP 103.A O no hydrogen 2.865 N/A GLU 108.A N GLU 104.A O no hydrogen 2.790 N/A GLN 109.A N MET 105.A O no hydrogen 2.878 N/A LYS 110.A N TRP 107.A O no hydrogen 3.036 N/A SER 111.A N VAL 106.A O no hydrogen 3.213 N/A SER 111.A OG PRO 212.A O no hydrogen 2.660 N/A ARG 112.A NH1 GLU 172.A O no hydrogen 3.107 N/A ARG 112.A NH1 GLU 172.A OE1 no hydrogen 2.599 N/A ARG 112.A NH2 GLU 172.A OE1 no hydrogen 2.979 N/A VAL 114.A N LEU 174.A O no hydrogen 2.846 N/A VAL 115.A N VAL 214.A O no hydrogen 2.735 N/A MET 116.A N PHE 176.A O no hydrogen 2.808 N/A LEU 117.A N HIS 216.A O no hydrogen 2.906 N/A ARG 119.A NE THR 179.A O no hydrogen 2.450 N/A ARG 119.A NH2 THR 179.A O no hydrogen 2.792 N/A CYS 123.A SG ALA 124.A O no hydrogen 3.575 N/A ALA 124.A N PRO 94.A O no hydrogen 2.825 N/A GLN 125.A NE2 TRP 127.A O no hydrogen 2.911 N/A TYR 126.A OH HIS 175.A NE2 no hydrogen 2.767 N/A TYR 126.A OH HIS 216.A NE2 no hydrogen 2.539 N/A GLU 131.A N GLU 131.A OE1 no hydrogen 2.649 N/A GLU 132.A N GLU 132.A OE1 no hydrogen 2.710 N/A LYS 133.A N LYS 130.A O no hydrogen 3.044 N/A GLU 134.A N GLU 134.A OE1 no hydrogen 2.788 N/A MET 135.A N LEU 144.A O no hydrogen 2.859 N/A PHE 137.A N LEU 142.A O no hydrogen 2.806 N/A THR 140.A OG1 GLY 100.A O no hydrogen 3.111 N/A ASN 141.A ND2 THR 166.A OG1 no hydrogen 2.790 N/A LEU 142.A N PHE 137.A O no hydrogen 3.189 N/A LYS 143.A N GLU 163.A O no hydrogen 2.922 N/A LEU 144.A N MET 135.A O no hydrogen 2.810 N/A THR 145.A N GLU 161.A O no hydrogen 2.948 N/A ILE 147.A N GLN 159.A O no hydrogen 2.781 N/A SER 148.A N GLN 159.A O no hydrogen 3.357 N/A SER 148.A OG GLN 159.A OE1 no hydrogen 2.803 N/A ASP 150.A N VAL 157.A O no hydrogen 2.814 N/A LYS 152.A N TYR 155.A O no hydrogen 2.829 N/A TYR 155.A OH ASN 195.A OD1.B no hydrogen 3.035 N/A THR 156.A N HIS 177.A O no hydrogen 2.773 N/A VAL 157.A N ASP 150.A O no hydrogen 2.924 N/A ARG 158.A N HIS 175.A O no hydrogen 2.800 N/A ARG 158.A NE GLU 149.A OE2 no hydrogen 2.852 N/A ARG 158.A NH1 HIS 175.A ND1 no hydrogen 2.980 N/A ARG 158.A NH1 HIS 177.A ND1 no hydrogen 3.110 N/A ARG 158.A NH2 HIS 177.A ND1 no hydrogen 3.499 N/A GLN 159.A N SER 148.A O no hydrogen 2.854 N/A GLN 159.A NE2 GLU 172.A OE2 no hydrogen 2.555 N/A LEU 160.A N ILE 173.A O no hydrogen 2.808 N/A GLU 161.A N THR 145.A O no hydrogen 2.868 N/A LEU 162.A N ARG 171.A O no hydrogen 2.841 N/A GLU 163.A N LYS 143.A O no hydrogen 2.779 N/A ASN 164.A N GLU 169.A O no hydrogen 2.900 N/A LEU 165.A N ASN 141.A O no hydrogen 2.913 N/A THR 166.A N ASN 164.A OD1 no hydrogen 2.841 N/A THR 167.A N ASN 164.A OD1 no hydrogen 3.241 N/A GLN 168.A N ASN 164.A O no hydrogen 2.706 N/A GLU 169.A N THR 167.A OG1 no hydrogen 3.180 N/A ARG 171.A N LEU 162.A O no hydrogen 2.806 N/A ARG 171.A NE GLU 169.A OE2 no hydrogen 2.998 N/A ARG 171.A NH1 TRP 107.A O no hydrogen 2.782 N/A ARG 171.A NH2 GLU 169.A OE1 no hydrogen 3.561 N/A ARG 171.A NH2 GLU 169.A OE2 no hydrogen 3.556 N/A ILE 173.A N LEU 160.A O no hydrogen 2.890 N/A LEU 174.A N ARG 112.A O no hydrogen 2.959 N/A HIS 175.A N ARG 158.A O no hydrogen 2.837 N/A HIS 175.A NE2 TYR 126.A OH no hydrogen 2.767 N/A PHE 176.A N VAL 114.A O no hydrogen 2.775 N/A HIS 177.A N THR 156.A O no hydrogen 2.771 N/A HIS 177.A NE2 ASN 118.A O no hydrogen 2.777 N/A TYR 178.A N MET 116.A O no hydrogen 2.837 N/A TYR 178.A OH SER 192.A OG no hydrogen 2.733 N/A THR 179.A N TYR 154.A O no hydrogen 2.933 N/A THR 180.A OG1 TYR 154.A O no hydrogen 3.556 N/A TRP 181.A NE1 GLY 185.A O no hydrogen 2.866 N/A GLY 185.A N PRO 182.A O no hydrogen 2.855 N/A GLU 188.A N TYR 178.A OH no hydrogen 3.119 N/A SER 192.A N SER 189.A OG no hydrogen 2.990 N/A SER 192.A OG TYR 178.A OH no hydrogen 2.733 N/A PHE 193.A N SER 189.A O no hydrogen 3.040 N/A LEU 194.A N PRO 190.A O no hydrogen 2.805 N/A ASN 195.A N ALA 191.A O no hydrogen 2.850 N/A PHE 196.A N SER 192.A O no hydrogen 3.030 N/A LEU 197.A N PHE 193.A O no hydrogen 2.874 N/A PHE 198.A N LEU 194.A O no hydrogen 2.798 N/A LYS 199.A N ASN 195.A O no hydrogen 2.968 N/A VAL 200.A N PHE 196.A O no hydrogen 3.048 N/A ARG 201.A N LEU 197.A O no hydrogen 2.919 N/A ARG 201.A NE ASP 231.A OD1 no hydrogen 2.830 N/A ARG 201.A NH2 ASP 231.A O no hydrogen 3.168 N/A ARG 201.A NH2 ASP 231.A OD1 no hydrogen 2.853 N/A GLU 202.A N PHE 198.A O no hydrogen 2.834 N/A SER 203.A N LYS 199.A O no hydrogen 3.121 N/A SER 203.A N VAL 200.A O no hydrogen 3.288 N/A SER 203.A OG VAL 200.A O no hydrogen 2.593 N/A SER 203.A OG SER 205.A OG no hydrogen 2.773 N/A GLY 204.A N ARG 201.A O no hydrogen 3.113 N/A SER 205.A N SER 203.A OG no hydrogen 3.079 N/A SER 205.A OG SER 203.A OG no hydrogen 2.773 N/A SER 207.A N GLY 204.A O no hydrogen 3.002 N/A SER 207.A OG GLY 204.A O no hydrogen 2.994 N/A SER 207.A OG HIS 210.A ND1 no hydrogen 3.402 N/A HIS 210.A N SER 207.A O no hydrogen 3.101 N/A HIS 210.A ND1 GLY 204.A O no hydrogen 3.157 N/A GLY 211.A N LYS 110.A O no hydrogen 2.881 N/A VAL 214.A N GLY 113.A O no hydrogen 3.126 N/A VAL 215.A N ILE 89.A O no hydrogen 2.703 N/A HIS 216.A N VAL 115.A O no hydrogen 2.836 N/A HIS 216.A ND1 CYS 217.A O no hydrogen 2.905 N/A HIS 216.A NE2 TYR 126.A OH no hydrogen 2.539 N/A CYS 217.A SG SER 224.A OG no hydrogen 3.099 N/A SER 218.A OG TYR 53.A OH no hydrogen 2.704 N/A SER 218.A OG LYS 122.A O no hydrogen 2.871 N/A ARG 223.A NH1 TRP 181.A O no hydrogen 2.862 N/A GLY 225.A N ILE 221.A O no hydrogen 3.019 N/A THR 226.A N GLY 222.A O no hydrogen 2.994 N/A THR 226.A OG1 GLY 222.A O no hydrogen 2.849 N/A PHE 227.A N ARG 223.A O no hydrogen 2.923 N/A CYS 228.A N SER 224.A O no hydrogen 3.016 N/A CYS 228.A SG SER 224.A O no hydrogen 3.404 N/A LEU 229.A N GLY 225.A O no hydrogen 2.861 N/A ALA 230.A N THR 226.A O no hydrogen 3.048 N/A ASP 231.A N PHE 227.A O no hydrogen 3.070 N/A THR 232.A N CYS 228.A O no hydrogen 2.914 N/A THR 232.A OG1 TYR 88.A OH no hydrogen 2.776 N/A THR 232.A OG1 CYS 228.A O no hydrogen 3.349 N/A CYS 233.A N LEU 229.A O no hydrogen 2.857 N/A CYS 233.A SG LEU 229.A O no hydrogen 3.321 N/A LEU 234.A N ALA 230.A O no hydrogen 2.931 N/A LEU 235.A N ASP 231.A O no hydrogen 2.974 N/A LEU 236.A N THR 232.A O no hydrogen 2.878 N/A MET 237.A N CYS 233.A O no hydrogen 2.934 N/A ASP 238.A N LEU 234.A O no hydrogen 3.162 N/A LYS 239.A N LEU 235.A O no hydrogen 2.968 N/A LYS 239.A NZ GLU 83.A O no hydrogen 2.787 N/A LYS 239.A NZ GLN 85.A OE1 no hydrogen 2.531 N/A ARG 240.A N LEU 236.A O no hydrogen 2.843 N/A ARG 240.A NE GLU 83.A OE2 no hydrogen 2.702 N/A ARG 240.A NH1 SER 245.A OG no hydrogen 3.195 N/A ARG 240.A NH2 GLU 83.A OE1 no hydrogen 2.773 N/A ARG 240.A NH2 GLU 83.A OE2 no hydrogen 3.238 N/A SER 244.A N ASP 242.A OD1 no hydrogen 2.907 N/A SER 244.A OG GLU 6.A OE2 no hydrogen 3.371 N/A SER 244.A OG ASP 242.A OD1 no hydrogen 2.655 N/A SER 244.A OG ASP 242.A OD2 no hydrogen 2.914 N/A SER 245.A N ASP 242.A O no hydrogen 3.022 N/A SER 245.A OG ASP 242.A O no hydrogen 2.679 N/A VAL 246.A N PRO 243.A O no hydrogen 3.168 N/A LYS 249.A NZ GLU 33.A OE1 no hydrogen 2.759 N/A LYS 249.A NZ GLU 33.A OE2 no hydrogen 3.525 N/A LYS 250.A N ASP 247.A OD1 no hydrogen 3.414 N/A VAL 251.A N ASP 247.A O no hydrogen 2.970 N/A LEU 252.A N ILE 248.A O no hydrogen 2.879 N/A LEU 253.A N LYS 249.A O no hydrogen 2.955 N/A GLU 254.A N LYS 250.A O no hydrogen 2.936 N/A MET 255.A N VAL 251.A O no hydrogen 2.870 N/A ARG 256.A N LEU 252.A O no hydrogen 2.850 N/A ARG 256.A NE LEU 262.A O no hydrogen 2.873 N/A ARG 256.A NH2 LEU 262.A O no hydrogen 2.912 N/A ARG 256.A NH2 ILE 263.A O no hydrogen 2.879 N/A LYS 257.A N GLU 254.A O no hydrogen 3.018 N/A LYS 257.A NZ GLU 254.A OE1 no hydrogen 2.750 N/A PHE 258.A N MET 255.A O no hydrogen 2.893 N/A ARG 259.A NE GLY 220.A O no hydrogen 2.880 N/A ARG 259.A NH1 ASN 75.A OD1 no hydrogen 3.109 N/A ARG 259.A NH1 SER 77.A OG no hydrogen 2.941 N/A ARG 259.A NH2 ASN 75.A OD1 no hydrogen 2.898 N/A ARG 259.A NH2 ALA 219.A O no hydrogen 2.942 N/A ILE 263.A N ILE 221.A O no hydrogen 3.000 N/A GLN 264.A N GLN 268.A OE1 no hydrogen 2.796 N/A GLN 264.A NE2 GLY 261.A O no hydrogen 2.837 N/A GLN 268.A N THR 265.A OG1 no hydrogen 2.822 N/A GLN 268.A NE2 GLY 185.A O no hydrogen 2.946 N/A LEU 269.A N THR 265.A O no hydrogen 3.119 N/A ARG 270.A N ALA 266.A O no hydrogen 2.896 N/A ARG 270.A NE ASP 18.A OD1 no hydrogen 2.775 N/A ARG 270.A NH2 ASP 18.A OD2 no hydrogen 2.941 N/A PHE 271.A N ASP 267.A O no hydrogen 2.783 N/A SER 272.A N GLN 268.A O no hydrogen 2.825 N/A SER 272.A OG.A LEU 269.A O no hydrogen 2.614 N/A SER 272.A OG.B GLN 268.A O no hydrogen 2.841 N/A TYR 273.A N LEU 269.A O no hydrogen 3.114 N/A LEU 274.A N ARG 270.A O no hydrogen 2.972 N/A ALA 275.A N PHE 271.A O no hydrogen 2.742 N/A VAL 276.A N SER 272.A O no hydrogen 2.968 N/A ILE 277.A N TYR 273.A O no hydrogen 2.935 N/A GLU 278.A N LEU 274.A O no hydrogen 2.980 N/A GLY 279.A N ALA 275.A O no hydrogen 2.773 N/A ALA 280.A N VAL 276.A O no hydrogen 2.863 N/A LYS 281.A N ILE 277.A O no hydrogen 3.015 N/A LYS 281.A NZ GLU 11.A OE2 no hydrogen 3.000 N/A LYS 281.A NZ GLU 278.A OE1 no hydrogen 2.994 N/A PHE 282.A N GLU 278.A O no hydrogen 3.034 N/A ILE 283.A N GLY 279.A O no hydrogen 2.915 N/A MET 284.A N ALA 280.A O no hydrogen 2.785 N/A GLY 285.A N PHE 282.A O no hydrogen 3.373 N/A