Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kue_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A N ASP 82.A OD2 no hydrogen 2.725 N/A LYS 3.A N ASP 82.A OD2 no hydrogen 2.931 N/A LYS 3.A NZ ASP 80.A OD2 no hydrogen 3.239 N/A VAL 4.A N GLU 26.A O no hydrogen 2.919 N/A PHE 5.A N LEU 83.A O no hydrogen 2.770 N/A VAL 6.A N ILE 28.A O no hydrogen 2.826 N/A LEU 7.A N VAL 85.A O no hydrogen 3.009 N/A GLY 8.A N ARG 30.A O no hydrogen 2.877 N/A ALA 9.A N ASP 31.A OD2 no hydrogen 2.685 N/A ALA 14.A N GLY 10.A O no hydrogen 2.993 N/A GLY 15.A N THR 11.A O no hydrogen 3.063 N/A ILE 16.A N MET 12.A O no hydrogen 2.919 N/A VAL 17.A N GLY 13.A O no hydrogen 2.798 N/A GLN 18.A N ALA 14.A O no hydrogen 3.014 N/A GLN 18.A NE2 SER 47.A OG no hydrogen 3.161 N/A ALA 19.A N GLY 15.A O no hydrogen 3.156 N/A ALA 19.A N ILE 16.A O no hydrogen 2.633 N/A PHE 20.A N ILE 16.A O no hydrogen 2.943 N/A ALA 21.A N VAL 17.A O no hydrogen 2.815 N/A ALA 22.A N GLN 18.A O no hydrogen 2.883 N/A GLY 24.A N ALA 21.A O no hydrogen 2.984 N/A CYS 25.A N PHE 20.A O no hydrogen 3.179 N/A GLU 26.A N LYS 2.A O no hydrogen 2.985 N/A VAL 27.A N ARG 68.A O no hydrogen 2.794 N/A ILE 28.A N VAL 4.A O no hydrogen 2.889 N/A VAL 29.A N SER 70.A O no hydrogen 2.940 N/A ARG 30.A N VAL 6.A O no hydrogen 2.946 N/A ARG 30.A NE ASP 31.A O no hydrogen 3.100 N/A ASP 31.A N THR 72.A O no hydrogen 3.308 N/A ILE 32.A N ASP 31.A OD1 no hydrogen 2.697 N/A PHE 36.A N LYS 33.A O no hydrogen 3.029 N/A VAL 37.A N LYS 33.A O no hydrogen 3.393 N/A ASP 38.A N GLU 34.A O no hydrogen 3.137 N/A ARG 39.A N GLU 35.A O no hydrogen 3.063 N/A ARG 39.A NH2 GLU 35.A OE2 no hydrogen 2.804 N/A GLY 40.A N PHE 36.A O no hydrogen 3.040 N/A ILE 41.A N VAL 37.A O no hydrogen 3.128 N/A ALA 42.A N ASP 38.A O no hydrogen 2.902 N/A THR 43.A N ARG 39.A O no hydrogen 2.809 N/A THR 43.A OG1 ARG 39.A O no hydrogen 2.711 N/A ILE 44.A N GLY 40.A O no hydrogen 3.062 N/A THR 45.A N ILE 41.A O no hydrogen 2.850 N/A THR 45.A OG1 ILE 41.A O no hydrogen 2.876 N/A LYS 46.A N ALA 42.A O no hydrogen 2.832 N/A SER 47.A N THR 43.A O no hydrogen 2.755 N/A SER 47.A OG GLN 18.A OE1 no hydrogen 3.166 N/A LEU 48.A N ILE 44.A O no hydrogen 2.739 N/A SER 49.A N THR 45.A O no hydrogen 2.850 N/A SER 49.A OG THR 45.A O no hydrogen 2.726 N/A LYS 50.A N LYS 46.A O no hydrogen 2.939 N/A LEU 51.A N SER 47.A O no hydrogen 3.145 N/A VAL 52.A N LEU 48.A O no hydrogen 3.050 N/A ALA 53.A N SER 49.A O no hydrogen 3.076 N/A LYS 54.A N LYS 50.A O no hydrogen 3.005 N/A GLU 55.A N VAL 52.A O no hydrogen 2.957 N/A LYS 56.A N LEU 51.A O no hydrogen 2.955 N/A THR 58.A N ASP 61.A OD2 no hydrogen 2.588 N/A LYS 62.A N THR 58.A O no hydrogen 2.853 N/A LYS 62.A NZ SER 49.A OG no hydrogen 3.199 N/A GLU 63.A N GLU 59.A O no hydrogen 2.946 N/A GLU 64.A N ALA 60.A O no hydrogen 2.872 N/A ILE 65.A N ASP 61.A O no hydrogen 2.816 N/A LEU 66.A N LYS 62.A O no hydrogen 3.026 N/A SER 67.A N GLU 63.A O no hydrogen 2.831 N/A SER 67.A OG GLU 64.A O no hydrogen 2.755 N/A ARG 68.A N ILE 65.A O no hydrogen 3.069 N/A ARG 68.A NH1 ALA 21.A O no hydrogen 2.787 N/A ILE 69.A N LEU 66.A O no hydrogen 2.890 N/A SER 70.A N VAL 27.A O no hydrogen 2.925 N/A ASP 74.A N THR 72.A OG1 no hydrogen 3.105 N/A LYS 76.A N ASP 74.A OD1 no hydrogen 3.099 N/A LYS 76.A NZ ASP 74.A OD1 no hydrogen 3.172 N/A LEU 77.A N ASP 74.A O no hydrogen 3.040 N/A ALA 78.A N MET 75.A O no hydrogen 3.041 N/A ALA 79.A N LYS 76.A O no hydrogen 2.877 N/A CYS 81.A N ALA 78.A O no hydrogen 2.880 N/A CYS 81.A SG LEU 77.A O no hydrogen 3.666 N/A ASP 82.A N LYS 3.A O no hydrogen 2.795 N/A LEU 83.A N LYS 3.A O no hydrogen 3.204 N/A VAL 84.A N ILE 111.A O no hydrogen 2.919 N/A VAL 85.A N PHE 5.A O no hydrogen 2.864 N/A GLU 86.A N ALA 113.A O no hydrogen 2.709 N/A ALA 87.A N LEU 7.A O no hydrogen 2.850 N/A ALA 88.A N GLU 86.A OE2 no hydrogen 2.754 N/A ASN 91.A N ILE 89.A O no hydrogen 2.775 N/A ILE 94.A N ASN 91.A OD1 no hydrogen 3.228 N/A LYS 95.A N ASN 91.A O no hydrogen 3.037 N/A LYS 95.A NZ GLU 86.A OE2 no hydrogen 2.878 N/A LYS 95.A NZ ILE 89.A O no hydrogen 2.720 N/A LYS 95.A NZ GLU 90.A OE1 no hydrogen 3.322 N/A LYS 96.A N MET 92.A O no hydrogen 2.887 N/A GLU 97.A N LYS 93.A O no hydrogen 3.250 N/A ILE 98.A N ILE 94.A O no hydrogen 2.773 N/A PHE 99.A N LYS 95.A O no hydrogen 2.848 N/A ALA 100.A N LYS 96.A O no hydrogen 2.948 N/A GLU 101.A N GLU 97.A O no hydrogen 2.831 N/A LEU 102.A N ILE 98.A O no hydrogen 3.100 N/A ASP 103.A N PHE 99.A O no hydrogen 2.842 N/A GLY 104.A N ALA 100.A O no hydrogen 3.231 N/A ILE 105.A N GLU 101.A O no hydrogen 2.795 N/A CYS 106.A N LEU 102.A O no hydrogen 2.949 N/A CYS 106.A SG ALA 78.A O no hydrogen 3.882 N/A CYS 106.A SG LEU 102.A O no hydrogen 3.293 N/A LYS 107.A N ALA 79.A O no hydrogen 3.038 N/A LYS 107.A NZ ASP 80.A O no hydrogen 2.580 N/A LYS 107.A NZ CYS 81.A O no hydrogen 3.187 N/A LYS 107.A NZ ASP 82.A OD1 no hydrogen 3.418 N/A THR 110.A N LYS 107.A O no hydrogen 2.819 N/A THR 110.A OG1 CYS 81.A O no hydrogen 2.810 N/A THR 110.A OG1 LYS 107.A O no hydrogen 3.372 N/A ILE 111.A N ASP 82.A O no hydrogen 3.286 N/A LEU 112.A N LYS 133.A O no hydrogen 2.960 N/A ALA 113.A N VAL 84.A O no hydrogen 2.806 N/A SER 114.A N ILE 135.A O no hydrogen 3.013 N/A SER 114.A OG GLU 86.A OE1 no hydrogen 2.748 N/A ASN 115.A N GLU 86.A O no hydrogen 2.859 N/A THR 116.A N SER 114.A OG no hydrogen 2.951 N/A THR 116.A OG1 GLU 90.A OE1 no hydrogen 2.553 N/A THR 116.A OG1 GLU 90.A OE2 no hydrogen 3.176 N/A SER 117.A N GLU 90.A OE2 no hydrogen 2.758 N/A SER 117.A OG HIS 138.A NE2 no hydrogen 2.646 N/A SER 118.A N THR 116.A OG1 no hydrogen 3.190 N/A LEU 119.A N THR 116.A OG1 no hydrogen 2.794 N/A SER 120.A OG GLU 181.A OE1 no hydrogen 3.470 N/A SER 120.A OG GLU 181.A OE2 no hydrogen 2.705 N/A THR 122.A N GLU 181.A OE1 no hydrogen 2.847 N/A THR 122.A OG1 GLU 181.A OE1 no hydrogen 2.659 N/A GLU 123.A N SER 120.A OG no hydrogen 2.950 N/A VAL 124.A N SER 120.A O no hydrogen 3.037 N/A ALA 125.A N ILE 121.A O no hydrogen 2.760 N/A SER 126.A N THR 122.A O no hydrogen 2.971 N/A SER 126.A OG THR 122.A O no hydrogen 3.093 N/A ALA 127.A N VAL 124.A O no hydrogen 2.755 N/A THR 128.A N ALA 125.A O no hydrogen 2.898 N/A THR 128.A OG1 ALA 125.A O no hydrogen 2.855 N/A LYS 129.A N ASP 103.A OD2 no hydrogen 2.722 N/A ARG 130.A N THR 128.A OG1 no hydrogen 3.029 N/A ARG 130.A NE ASP 103.A OD1 no hydrogen 2.789 N/A ARG 130.A NH1 LYS 107.A O no hydrogen 2.848 N/A ARG 130.A NH1 THR 110.A O no hydrogen 3.129 N/A ARG 130.A NH2 ASP 103.A O no hydrogen 2.886 N/A ARG 130.A NH2 ASP 103.A OD1 no hydrogen 3.535 N/A ARG 130.A NH2 CYS 106.A O no hydrogen 2.873 N/A LYS 133.A N ARG 130.A O no hydrogen 2.632 N/A LYS 133.A NZ PRO 108.A O no hydrogen 3.497 N/A VAL 134.A N ALA 131.A O no hydrogen 2.880 N/A ILE 135.A N LEU 112.A O no hydrogen 3.071 N/A GLY 136.A N ILE 152.A O no hydrogen 2.908 N/A MET 137.A N SER 114.A O no hydrogen 2.931 N/A HIS 138.A N GLU 150.A O no hydrogen 2.909 N/A HIS 138.A ND1 GLU 150.A OE1 no hydrogen 2.662 N/A HIS 138.A NE2 SER 117.A OG no hydrogen 2.646 N/A PHE 139.A N ASN 115.A OD1 no hydrogen 2.907 N/A VAL 145.A N PRO 142.A O no hydrogen 2.833 N/A MET 146.A N PRO 142.A O no hydrogen 2.838 N/A VAL 149.A N THR 175.A O no hydrogen 2.983 N/A GLU 150.A N HIS 138.A O no hydrogen 2.977 N/A VAL 151.A N VAL 177.A O no hydrogen 2.845 N/A ILE 152.A N GLY 136.A O no hydrogen 3.036 N/A ARG 153.A N VAL 179.A O no hydrogen 2.883 N/A ARG 153.A NH1 GLN 159.A OE1 no hydrogen 2.929 N/A ARG 153.A NH1 GLU 178.A OE2 no hydrogen 3.028 N/A ARG 153.A NH2 THR 157.A O no hydrogen 3.082 N/A ALA 155.A N THR 122.A OG1 no hydrogen 2.910 N/A THR 157.A N GLY 154.A O no hydrogen 3.261 N/A THR 157.A OG1 VAL 134.A O no hydrogen 2.688 N/A THR 157.A OG1 GLY 154.A O no hydrogen 3.468 N/A SER 158.A N ASP 132.A O no hydrogen 2.978 N/A SER 158.A OG ASP 132.A O no hydrogen 3.240 N/A SER 158.A OG THR 161.A OG1 no hydrogen 3.039 N/A GLN 159.A NE2 ASP 163.A OD1 no hydrogen 2.850 N/A GLN 159.A NE2 ASP 163.A OD2 no hydrogen 3.492 N/A THR 161.A N SER 158.A OG no hydrogen 2.704 N/A THR 161.A OG1 ASP 132.A O no hydrogen 2.769 N/A THR 161.A OG1 SER 158.A OG no hydrogen 3.039 N/A PHE 162.A N SER 158.A O no hydrogen 2.766 N/A ASP 163.A N GLN 159.A O no hydrogen 2.710 N/A ALA 164.A N GLU 160.A O no hydrogen 2.836 N/A VAL 165.A N THR 161.A O no hydrogen 3.010 N/A LYS 166.A N PHE 162.A O no hydrogen 2.762 N/A GLU 167.A N ASP 163.A O no hydrogen 2.996 N/A MET 168.A N ALA 164.A O no hydrogen 2.937 N/A SER 169.A N VAL 165.A O no hydrogen 2.995 N/A SER 169.A OG VAL 165.A O no hydrogen 2.682 N/A GLU 170.A N LYS 166.A O no hydrogen 2.955 N/A SER 171.A N GLU 167.A O no hydrogen 2.688 N/A SER 171.A OG GLU 167.A O no hydrogen 2.978 N/A ILE 172.A N MET 168.A O no hydrogen 3.076 N/A ILE 172.A N SER 169.A O no hydrogen 3.029 N/A GLY 173.A N GLU 170.A O no hydrogen 2.854 N/A LYS 174.A N SER 169.A O no hydrogen 3.027 N/A LYS 174.A NZ ALA 143.A O no hydrogen 2.426 N/A LYS 174.A NZ MET 146.A O no hydrogen 2.969 N/A THR 175.A N LYS 147.A O no hydrogen 2.679 N/A VAL 177.A N VAL 149.A O no hydrogen 2.986 N/A VAL 179.A N VAL 151.A O no hydrogen 3.013 N/A GLU 181.A N ARG 153.A O no hydrogen 2.932 N/A PHE 185.A N ALA 182.A O no hydrogen 2.959 N/A VAL 186.A N GLU 150.A OE2 no hydrogen 2.951 N/A VAL 187.A N GLU 150.A OE2 no hydrogen 2.954 N/A ARG 189.A N GLY 184.A O no hydrogen 3.132 N/A ILE 190.A N VAL 186.A O no hydrogen 3.255 N/A ILE 190.A N VAL 187.A O no hydrogen 3.223 N/A LEU 191.A N VAL 187.A O no hydrogen 2.813 N/A ILE 192.A N ASN 188.A O no hydrogen 2.881 N/A MET 194.A N LEU 191.A O no hydrogen 3.217 N/A ILE 195.A N LEU 191.A O no hydrogen 3.305 N/A ASN 196.A N ILE 192.A O no hydrogen 2.947 N/A ASN 196.A ND2 ARG 255.A O no hydrogen 2.986 N/A GLU 197.A N PRO 193.A O no hydrogen 2.807 N/A ALA 198.A N MET 194.A O no hydrogen 3.156 N/A THR 199.A N ILE 195.A O no hydrogen 3.170 N/A THR 199.A OG1 ASN 196.A O no hydrogen 2.562 N/A THR 199.A OG1 ASN 196.A OD1 no hydrogen 3.512 N/A THR 199.A OG1 SER 257.A OG no hydrogen 2.707 N/A PHE 200.A N ASN 196.A O no hydrogen 3.153 N/A ILE 201.A N GLU 197.A O no hydrogen 3.007 N/A LEU 202.A N ALA 198.A O no hydrogen 2.898 N/A GLN 203.A N THR 199.A O no hydrogen 2.807 N/A GLU 204.A N PHE 200.A O no hydrogen 2.801 N/A GLU 204.A N ILE 201.A O no hydrogen 3.361 N/A GLY 205.A N LEU 202.A O no hydrogen 3.170 N/A VAL 206.A N ILE 201.A O no hydrogen 3.017 N/A LYS 208.A NZ ASP 211.A OD2 no hydrogen 3.254 N/A GLU 209.A N GLU 209.A OE1 no hydrogen 2.653 N/A ILE 212.A N LYS 208.A O no hydrogen 2.989 N/A ASP 213.A N GLU 209.A O no hydrogen 3.144 N/A ALA 214.A N GLU 210.A O no hydrogen 2.920 N/A ALA 215.A N ASP 211.A O no hydrogen 2.903 N/A MET 216.A N ILE 212.A O no hydrogen 3.386 N/A LYS 217.A N ASP 213.A O no hydrogen 3.115 N/A LEU 218.A N ALA 214.A O no hydrogen 2.836 N/A GLY 219.A N ALA 215.A O no hydrogen 2.614 N/A ALA 220.A N MET 216.A O no hydrogen 3.010 N/A HIS 222.A N MET 216.A O no hydrogen 3.272 N/A LEU 227.A N ASP 213.A OD1 no hydrogen 2.930 N/A ALA 228.A N ASP 213.A OD2 no hydrogen 3.045 N/A LEU 229.A N GLY 225.A O no hydrogen 2.832 N/A GLY 230.A N PRO 226.A O no hydrogen 2.716 N/A ASP 231.A N LEU 227.A O no hydrogen 2.997 N/A LEU 232.A N ALA 228.A O no hydrogen 3.121 N/A LEU 232.A N LEU 229.A O no hydrogen 3.199 N/A ILE 233.A N LEU 229.A O no hydrogen 3.027 N/A GLY 234.A N GLY 230.A O no hydrogen 2.769 N/A LEU 235.A N LEU 269.A O no hydrogen 2.937 N/A CYS 238.A N GLY 234.A O no hydrogen 2.960 N/A CYS 238.A SG GLY 234.A O no hydrogen 3.500 N/A LEU 239.A N LEU 235.A O no hydrogen 2.695 N/A ALA 240.A N ASP 236.A O no hydrogen 2.865 N/A ILE 241.A N VAL 237.A O no hydrogen 2.990 N/A MET 242.A N CYS 238.A O no hydrogen 3.076 N/A ASP 243.A N LEU 239.A O no hydrogen 2.953 N/A VAL 244.A N ALA 240.A O no hydrogen 2.964 N/A LEU 245.A N ILE 241.A O no hydrogen 2.902 N/A TYR 246.A N MET 242.A O no hydrogen 2.933 N/A ASN 247.A N ASP 243.A O no hydrogen 2.831 N/A GLU 248.A N VAL 244.A O no hydrogen 2.790 N/A THR 249.A N LEU 245.A O no hydrogen 3.029 N/A THR 249.A OG1 LEU 245.A O no hydrogen 2.709 N/A GLY 250.A N TYR 246.A O no hydrogen 2.831 N/A ASP 251.A N THR 249.A OG1 no hydrogen 3.058 N/A LYS 253.A N ASP 251.A OD1 no hydrogen 3.009 N/A TYR 254.A N ASP 251.A O no hydrogen 2.973 N/A ARG 255.A N THR 252.A O no hydrogen 3.201 N/A ARG 255.A NH1 THR 252.A O no hydrogen 3.070 N/A SER 257.A N ASN 196.A OD1 no hydrogen 3.127 N/A SER 257.A OG THR 199.A OG1 no hydrogen 2.707 N/A LEU 260.A N SER 257.A OG no hydrogen 3.212 N/A ARG 261.A N SER 257.A O no hydrogen 3.222 N/A ARG 261.A NH1 ASP 243.A OD2 no hydrogen 3.044 N/A ARG 261.A NH2 ASP 243.A OD1 no hydrogen 2.809 N/A ARG 261.A NH2 ASP 243.A OD2 no hydrogen 3.519 N/A LYS 262.A N SER 258.A O no hydrogen 2.825 N/A TYR 263.A N LEU 259.A O no hydrogen 2.920 N/A VAL 264.A N LEU 260.A O no hydrogen 3.006 N/A ARG 265.A N ARG 261.A O no hydrogen 3.163 N/A ALA 266.A N LYS 262.A O no hydrogen 3.031 N/A GLY 267.A N VAL 264.A O no hydrogen 2.974 N/A TRP 268.A N TYR 263.A O no hydrogen 3.026 N/A LEU 269.A N THR 273.A OG1 no hydrogen 3.102 N/A GLY 270.A N LYS 275.A O no hydrogen 2.950 N/A ARG 271.A N ASP 231.A O no hydrogen 2.939 N/A LYS 272.A NZ ASP 236.A OD1 no hydrogen 3.111 N/A LYS 272.A NZ ASP 236.A OD2 no hydrogen 2.896 N/A THR 273.A N GLY 270.A O no hydrogen 3.182 N/A THR 273.A OG1 GLY 267.A O no hydrogen 3.133 N/A THR 273.A OG1 GLY 270.A O no hydrogen 3.391 N/A THR 273.A OG1 LYS 275.A O no hydrogen 2.925 N/A GLY 274.A N ARG 271.A O no hydrogen 2.830 N/A LYS 275.A NZ ASP 279.A OD1 no hydrogen 3.159 N/A GLY 276.A N TYR 278.A O no hydrogen 2.869 N/A PHE 277.A N ASP 231.A OD1 no hydrogen 2.708 N/A TYR 278.A N ASP 231.A OD2 no hydrogen 3.024 N/A TYR 278.A OH GLU 209.A O no hydrogen 3.047 N/A TYR 278.A OH ASP 213.A OD2 no hydrogen 2.336 N/A TYR 280.A N GLY 274.A O no hydrogen 2.836 N/A TYR 280.A OH ASP 231.A OD2 no hydrogen 2.602 N/A