Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1nu9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 5.A N GLU 2C.A O no hydrogen 3.215 N/A CYS 5.A SG GLU 2C.A O no hydrogen 3.337 N/A GLY 6.A N PRO 149.A O no hydrogen 2.977 N/A ARG 8.A N GLU 12.A OE1 no hydrogen 2.905 N/A ARG 8.A NE GLU 12.A OE1 no hydrogen 2.937 N/A ARG 8.A NH1 ASP 18.A OD2 no hydrogen 3.064 N/A ARG 8.A NH1 MET 43.A O no hydrogen 2.855 N/A ARG 8.A NH2 GLU 12.A OE2 no hydrogen 3.087 N/A ARG 8.A NH2 ASP 18.A OD2 no hydrogen 3.049 N/A ARG 8.A NH2 GLU 21C.A OE1 no hydrogen 3.427 N/A PHE 11.A N ARG 8.A O no hydrogen 2.845 N/A LYS 13.A N ARG 8.A O no hydrogen 3.191 N/A LYS 13.A NZ LEU 7.A O no hydrogen 3.177 N/A LYS 13.A NZ ASP 4A.A OD1 no hydrogen 2.945 N/A LYS 14.A N PHE 11.A O no hydrogen 2.602 N/A SER 15.A N GLU 12.A O no hydrogen 2.940 N/A LEU 16.A N PHE 11.A O no hydrogen 3.074 N/A ASP 18.A N GLU 21C.A OE1 no hydrogen 2.934 N/A SER 37.A OG GLN 193.A OE1 no hydrogen 2.660 N/A ALA 39.A N LEU 192.A O no hydrogen 2.790 N/A MET 43.A N GLU 40.A O no hydrogen 3.051 N/A SER 44.A OG GLN 47.A OE1 no hydrogen 2.761 N/A GLN 47.A N SER 44.A O no hydrogen 2.858 N/A GLN 47.A NE2 THR 171.A O no hydrogen 3.380 N/A VAL 48.A N ALA 62.A O no hydrogen 2.907 N/A MET 49.A N ARG 94.A O no hydrogen 2.907 N/A LEU 50.A N CYS 60.A O no hydrogen 2.748 N/A PHE 51.A N LEU 92.A O no hydrogen 2.884 N/A ARG 52.A N GLU 57.A O no hydrogen 2.731 N/A LYS 53.A N ASP 90.A O no hydrogen 3.144 N/A GLU 57.A N ARG 52.A O no hydrogen 3.122 N/A LEU 59.A N LEU 50.A O no hydrogen 2.956 N/A CYS 60.A N LEU 50.A O no hydrogen 3.374 N/A CYS 60.A SG LEU 59.A O no hydrogen 3.185 N/A GLY 61.A N SER 237.A O no hydrogen 2.894 N/A SER 63.A N LEU 71.A O no hydrogen 2.917 N/A SER 63.A OG GLN 253.A OE1 no hydrogen 2.534 N/A LEU 64.A N TRP 46.A O no hydrogen 2.860 N/A ILE 65.A N TRP 69.A O no hydrogen 2.979 N/A ARG 68.A N SER 66.A OG no hydrogen 2.963 N/A ARG 68.A NH1 GLU 114.A OE1 no hydrogen 2.612 N/A TRP 69.A N SER 66.A OG no hydrogen 3.017 N/A VAL 70.A N MET 135.A O no hydrogen 2.927 N/A LEU 71.A N SER 63.A O no hydrogen 2.836 N/A THR 72.A N ALA 133.A O no hydrogen 2.977 N/A THR 72.A OG1 GLY 61.A O no hydrogen 3.017 N/A ALA 73.A N THR 72.A OG1 no hydrogen 2.633 N/A HIS 75.A N ASP 131.A OD1 no hydrogen 2.832 N/A HIS 75.A ND1 ASP 131.A OD2 no hydrogen 2.690 N/A CYS 76.A N ALA 73.A O no hydrogen 3.245 N/A CYS 76.A SG SER 237.A O no hydrogen 3.643 N/A LEU 77.A N ALA 74.A O no hydrogen 2.807 N/A LEU 78.A N ALA 74.A O no hydrogen 2.814 N/A ASP 90.A N THR 87I.A O no hydrogen 2.831 N/A LEU 91.A N GLU 88.A O no hydrogen 3.371 N/A LEU 92.A N PHE 51.A O no hydrogen 2.997 N/A VAL 93.A N SER 111.A O no hydrogen 3.178 N/A ARG 94.A N MET 49.A O no hydrogen 2.898 N/A ARG 94.A NE GLU 108.A OE2 no hydrogen 2.662 N/A ARG 94.A NH2 GLU 108.A OE1 no hydrogen 3.284 N/A ARG 94.A NH2 GLU 108.A OE2 no hydrogen 2.533 N/A ILE 95.A N LYS 109.A O no hydrogen 2.714 N/A LYS 97.A NZ SER 99.A O no hydrogen 2.710 N/A LYS 97.A NZ ARG 102.A O no hydrogen 2.905 N/A LYS 97.A NZ GLU 104.A OE1 no hydrogen 2.964 N/A LYS 97.A NZ GLU 108.A OE1 no hydrogen 2.966 N/A HIS 98.A N GLU 104.A OE1 no hydrogen 2.718 N/A SER 99.A N GLU 104.A OE2 no hydrogen 2.712 N/A SER 99.A OG THR 101.A OG1 no hydrogen 3.173 N/A SER 99.A OG SER 190.A O no hydrogen 3.124 N/A ARG 100.A N SER 190.A O no hydrogen 2.739 N/A ARG 100.A NE PRO 189.A O no hydrogen 2.733 N/A ARG 100.A NH2 PRO 189.A O no hydrogen 3.312 N/A THR 101.A N SER 99.A OG no hydrogen 3.411 N/A THR 101.A OG1 SER 99.A OG no hydrogen 3.173 N/A ARG 102.A NH1 THR 101.A O no hydrogen 2.775 N/A GLU 104.A N GLU 108.A OE1 no hydrogen 2.763 N/A ILE 107.A N GLU 104.A O no hydrogen 3.131 N/A GLU 108.A N GLU 104.A O no hydrogen 2.818 N/A LYS 109.A N ILE 95.A O no hydrogen 2.765 N/A SER 111.A N VAL 93.A O no hydrogen 2.998 N/A GLU 114.A N LYS 136.A O no hydrogen 2.750 N/A LYS 115.A N LYS 136.A O no hydrogen 3.386 N/A LYS 115.A NZ GLU 88.A OE2 no hydrogen 3.490 N/A ILE 116.A N GLU 88.A OE2 no hydrogen 2.910 N/A TYR 117.A N LEU 134.A O no hydrogen 2.857 N/A HIS 119.A N ILE 132.A O no hydrogen 3.334 N/A ARG 121.A N HIS 119.A ND1 no hydrogen 2.890 N/A TYR 122.A N HIS 119.A O no hydrogen 3.021 N/A TYR 122.A OH LEU 78.A O no hydrogen 2.727 N/A ASN 123.A N ASP 129.A O no hydrogen 2.968 N/A ASN 123.A ND2 GLU 126A.A OE1 no hydrogen 2.843 N/A ASN 127.A N ASN 123.A O no hydrogen 3.449 N/A ASN 127.A ND2 ARG 212.A O no hydrogen 2.920 N/A LEU 128.A N ASN 123.A O no hydrogen 3.109 N/A ASP 129.A N ASN 127.A OD1 no hydrogen 2.912 N/A ARG 130.A NH1 ARG 121.A O no hydrogen 3.215 N/A ALA 133.A N THR 72.A O no hydrogen 2.930 N/A LEU 134.A N TYR 117.A O no hydrogen 2.934 N/A MET 135.A N VAL 70.A O no hydrogen 2.806 N/A LYS 136.A N LYS 115.A O no hydrogen 2.885 N/A LYS 136.A NZ GLU 114.A OE1 no hydrogen 3.238 N/A LEU 137.A N ARG 68.A O no hydrogen 2.867 N/A LYS 138.A N MET 112.A O no hydrogen 3.133 N/A LYS 138.A NZ GLU 114.A OE2 no hydrogen 2.755 N/A VAL 141.A N ASP 67.A O no hydrogen 2.689 N/A SER 144.A N ILE 147.A O no hydrogen 3.058 N/A TYR 146.A N SER 144.A OG no hydrogen 3.029 N/A HIS 148.A N PRO 45.A O no hydrogen 3.004 N/A HIS 148.A NE2 ASP 4A.A O no hydrogen 2.697 N/A VAL 150.A N LEU 64.A O no hydrogen 3.130 N/A CYS 151.A N TRP 251.A O no hydrogen 3.126 N/A THR 157.A N ASP 154.A OD2 no hydrogen 2.884 N/A THR 157.A OG1 ASP 154.A OD2 no hydrogen 3.113 N/A ALA 158.A N ASP 154.A O no hydrogen 3.044 N/A LEU 162.A N ALA 158.A O no hydrogen 2.976 N/A GLN 163.A N LEU 161C.A O no hydrogen 2.958 N/A GLN 163.A NE2 SER 160B.A O no hydrogen 3.048 N/A GLY 165.A N ILE 199.A O no hydrogen 2.796 N/A TYR 166.A N GLN 163.A O no hydrogen 2.962 N/A LYS 167.A NZ TYR 222A.A OH no hydrogen 3.074 N/A GLY 168.A N LEU 197.A O no hydrogen 2.713 N/A ARG 169.A N VAL 242.A O no hydrogen 2.752 N/A ARG 169.A NE ASN 196.A OD1 no hydrogen 3.085 N/A ARG 169.A NH1 ASP 18.A OD2 no hydrogen 2.910 N/A ARG 169.A NH2 ASP 18.A OD1 no hydrogen 2.903 N/A ARG 169.A NH2 ASP 18.A OD2 no hydrogen 3.509 N/A VAL 170.A N VAL 195.A O no hydrogen 2.916 N/A THR 171.A OG1 GLN 47.A OE1 no hydrogen 2.408 N/A GLY 172.A N GLN 193.A O no hydrogen 2.979 N/A TRP 173.A NE1 HIS 98.A O no hydrogen 3.084 N/A GLY 174.A N ASP 236.A OD2 no hydrogen 2.862 N/A ASN 175.A N GLU 234.A O no hydrogen 2.853 N/A LEU 176.A N GLY 187.A O no hydrogen 2.834 N/A LYS 177.A NZ GLU 178.A O no hydrogen 2.821 N/A THR 179.A OG1 THR 181.A O no hydrogen 3.124 N/A LEU 192.A N HIS 98.A O no hydrogen 3.174 N/A GLN 193.A N GLY 172.A O no hydrogen 2.931 N/A GLN 193.A NE2 ASP 38.A OD1 no hydrogen 2.975 N/A GLN 193.A NE2 VAL 191.A O no hydrogen 2.851 N/A VAL 194.A N SER 37.A O no hydrogen 2.805 N/A VAL 195.A N VAL 170.A O no hydrogen 3.063 N/A ASN 196.A ND2 THR 20B.A OG1 no hydrogen 3.170 N/A LEU 197.A N GLY 168.A O no hydrogen 2.854 N/A ILE 199.A N TYR 166.A O no hydrogen 2.687 N/A VAL 200.A N CYS 219.A O no hydrogen 3.172 N/A GLU 201.A N GLU 201.A OE1 no hydrogen 2.613 N/A ARG 202.A NH1 MET 217.A O no hydrogen 3.021 N/A ARG 202.A NH2 MET 217.A O no hydrogen 2.807 N/A VAL 204.A N GLU 201.A O no hydrogen 2.855 N/A CYS 205.A N GLU 201.A O no hydrogen 3.111 N/A CYS 205.A SG VAL 200.A O no hydrogen 3.618 N/A CYS 205.A SG GLU 201.A O no hydrogen 3.647 N/A LYS 206.A N ARG 202.A O no hydrogen 2.816 N/A ASP 207.A N PRO 203.A O no hydrogen 3.007 N/A SER 208.A N VAL 204.A O no hydrogen 2.945 N/A SER 208.A N CYS 205.A O no hydrogen 3.189 N/A SER 208.A OG CYS 205.A O no hydrogen 2.680 N/A THR 209.A OG1 GLU 261.A OE1 no hydrogen 2.676 N/A ILE 211.A N THR 209.A OG1 no hydrogen 3.092 N/A THR 214.A OG1 ASP 129.A OD1 no hydrogen 2.658 N/A ASN 216.A N THR 214.A OG1 no hydrogen 3.080 N/A ASN 216.A ND2 ASP 129.A OD1 no hydrogen 3.080 N/A MET 217.A N THR 214.A O no hydrogen 3.183 N/A PHE 218.A N TYR 272.A O no hydrogen 3.069 N/A ALA 220.A N GLY 270.A O no hydrogen 3.011 N/A GLY 221.A N PRO 198.A O no hydrogen 2.956 N/A LYS 223.A N GLU 226B.A OE1 no hydrogen 2.510 N/A LYS 223.A NZ GLU 201.A OE1 no hydrogen 2.630 N/A ARG 229.A NE ASP 264A.A OD2 no hydrogen 2.645 N/A ARG 229.A NH1 ASP 266.A OD1 no hydrogen 2.962 N/A ARG 229.A NH2 ASP 266.A OD1 no hydrogen 3.127 N/A ARG 229.A NH2 ASP 264A.A O no hydrogen 2.634 N/A ARG 229.A NH2 ASP 264A.A OD2 no hydrogen 3.181 N/A GLY 230.A N ASP 264A.A OD1 no hydrogen 2.930 N/A ALA 232.A N ASP 231.A OD1 no hydrogen 2.583 N/A CYS 233.A N ASP 236.A OD1 no hydrogen 2.718 N/A ASP 236.A N CYS 233.A O no hydrogen 2.897 N/A SER 237.A OG HIS 75.A NE2 no hydrogen 2.846 N/A SER 237.A OG SER 258.A O no hydrogen 3.529 N/A GLY 238.A N VAL 257.A O no hydrogen 2.931 N/A GLY 239.A N ASP 236.A O no hydrogen 2.825 N/A PHE 241.A N GLY 255.A O no hydrogen 3.031 N/A VAL 242.A N ARG 169.A O no hydrogen 2.783 N/A MET 243.A N TYR 252.A O no hydrogen 2.890 N/A LYS 244.A NZ GLU 12.A OE2 no hydrogen 2.679 N/A LYS 244.A NZ GLU 21C.A OE2 no hydrogen 2.413 N/A SER 245.A N ARG 250.A O no hydrogen 2.889 N/A ASN 249.A N SER 245.A O no hydrogen 2.763 N/A ARG 250.A N ASN 248B.A OD1 no hydrogen 2.914 N/A ARG 250.A NH1 CYS 5.A O no hydrogen 2.665 N/A ARG 250.A NH1 ALA 3B.A O no hydrogen 2.666 N/A ARG 250.A NH2 ALA 3B.A O no hydrogen 3.033 N/A TRP 251.A N GLY 6.A O no hydrogen 3.043 N/A TRP 251.A NE1 GLU 12.A OE2 no hydrogen 2.910 N/A TYR 252.A N MET 243.A O no hydrogen 2.712 N/A GLN 253.A N CYS 151.A O no hydrogen 2.757 N/A GLN 253.A NE2 GLY 255.A O no hydrogen 2.947 N/A MET 254.A N PHE 241.A O no hydrogen 2.940 N/A GLY 255.A N PHE 241.A O no hydrogen 3.166 N/A ILE 256.A N THR 273.A O no hydrogen 3.140 N/A VAL 257.A N GLY 239.A O no hydrogen 2.907 N/A SER 258.A N PHE 271.A O no hydrogen 3.023 N/A SER 258.A OG ASP 131.A OD2 no hydrogen 2.424 N/A TRP 259.A N PHE 271.A O no hydrogen 3.258 N/A CYS 263.A N GLU 178.A OE2 no hydrogen 3.170 N/A CYS 263.A SG ALA 232.A O no hydrogen 3.985 N/A ARG 265.A NH1 GLU 178.A OE1 no hydrogen 2.738 N/A ARG 265.A NH1 GLU 178.A OE2 no hydrogen 3.357 N/A LYS 268.A N ARG 265.A O no hydrogen 3.093 N/A LYS 268.A NZ SER 208.A O no hydrogen 2.806 N/A LYS 268.A NZ GLU 261.A OE2 no hydrogen 3.527 N/A GLY 270.A N ALA 220.A O no hydrogen 3.220 N/A PHE 271.A N TRP 259.A O no hydrogen 2.723 N/A TYR 272.A N PHE 218.A O no hydrogen 2.821 N/A THR 273.A N ILE 256.A O no hydrogen 2.798 N/A THR 273.A OG1 ASP 131.A O no hydrogen 2.642 N/A HIS 274.A N ASN 216.A O no hydrogen 2.805 N/A VAL 275.A N MET 254.A O no hydrogen 3.074 N/A ARG 277.A NE ASN 216.A OD1 no hydrogen 2.946 N/A ARG 277.A NH2 ASN 216.A OD1 no hydrogen 2.993 N/A LEU 278.A N VAL 275.A O no hydrogen 3.131 N/A LYS 279.A N PHE 276.A O no hydrogen 3.071 N/A LYS 279.A NZ PRO 153.A O no hydrogen 2.486 N/A ILE 282.A N LEU 278.A O no hydrogen 3.177 N/A GLN 283.A N LYS 279.A O no hydrogen 2.854 N/A GLN 283.A NE2 LYS 279.A O no hydrogen 3.652 N/A LYS 284.A N LYS 280.A O no hydrogen 2.786 N/A VAL 285.A N TRP 281.A O no hydrogen 2.900 N/A ILE 286.A N ILE 282.A O no hydrogen 2.918 N/A ASP 287.A N GLN 283.A O no hydrogen 2.880 N/A GLN 288.A N LYS 284.A O no hydrogen 2.797 N/A PHE 289.A N VAL 285.A O no hydrogen 2.897 N/A LYS 19A.A N GLU 40.A OE1 no hydrogen 2.625 N/A TYR 79A.A N LYS 84F.A O no hydrogen 2.882 N/A GLU 126A.A N ASN 123.A OD1 no hydrogen 3.294 N/A ALA 159A.A N ARG 155.A O no hydrogen 3.069 N/A PHE 247A.A N SER 245.A OG no hydrogen 3.081 N/A ASP 264A.A N ASP 231.A OD2 no hydrogen 2.915 N/A THR 20B.A N ASP 18.A OD1 no hydrogen 3.076 N/A SER 160B.A N GLU 156.A O no hydrogen 2.715 N/A SER 160B.A OG GLU 156.A O no hydrogen 2.587 N/A SER 160B.A OG THR 157.A O no hydrogen 3.382 N/A GLU 226B.A N LYS 223.A O no hydrogen 2.929 N/A ASN 248B.A ND2 TYR 252.A OH no hydrogen 2.868 N/A GLU 21C.A N ASP 18.A OD1 no hydrogen 2.746 N/A LEU 161C.A N THR 157.A O no hydrogen 2.715 N/A VAL 184C.A N THR 181.A O no hydrogen 2.958 N/A VAL 184C.A N THR 181.A OG1 no hydrogen 3.109 N/A ARG 22D.A NH2 GLU 17.A OE1 no hydrogen 2.481 N/A TRP 82D.A N TYR 79A.A O no hydrogen 3.171 N/A LYS 228D.A N GLU 226B.A O no hydrogen 2.839 N/A GLU 23E.A N THR 20B.A O no hydrogen 2.623 N/A ASP 83E.A N PRO 80B.A O no hydrogen 2.531 N/A LEU 24F.A N GLU 21C.A O no hydrogen 2.982 N/A LYS 84F.A N TYR 79A.A O no hydrogen 2.918 N/A LEU 25G.A N ARG 22D.A O no hydrogen 3.080 N/A PHE 86H.A N LEU 77.A O no hydrogen 2.886 N/A THR 87I.A N ASP 90.A OD2 no hydrogen 2.942 N/A