Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kpu_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 2.A N ASP 112.A OD2 no hydrogen 2.834 N/A ILE 3.A N HIS 55.A O no hydrogen 2.844 N/A VAL 4.A N LEU 113.A O no hydrogen 2.972 N/A VAL 5.A N THR 57.A O no hydrogen 2.859 N/A CYS 6.A N LEU 115.A O no hydrogen 2.951 N/A VAL 7.A N ILE 59.A O no hydrogen 2.978 N/A LYS 8.A N ASP 38.A OD2 no hydrogen 2.799 N/A LYS 8.A NZ ASP 122.A OD1 no hydrogen 2.727 N/A LYS 8.A NZ ASP 122.A OD2 no hydrogen 3.363 N/A GLN 9.A NE2 HIS 65.A O no hydrogen 3.309 N/A VAL 10.A N ILE 33.A O no hydrogen 2.943 N/A ASP 12.A N THR 31.A O no hydrogen 2.931 N/A THR 13.A OG1 ILE 121.A O no hydrogen 2.813 N/A ALA 14.A N ASP 12.A OD1 no hydrogen 3.190 N/A GLU 15.A N ASP 12.A O no hydrogen 3.064 N/A MET 16.A N THR 13.A O no hydrogen 3.143 N/A LYS 17.A N VAL 26.A O no hydrogen 2.915 N/A ASP 19.A N ASN 24.A O no hydrogen 2.911 N/A VAL 21.A N ASP 19.A OD1 no hydrogen 3.146 N/A THR 22.A OG1 ASP 19.A OD2 no hydrogen 3.251 N/A THR 22.A OG1 ASN 24.A OD1 no hydrogen 3.013 N/A ASN 23.A N ASP 19.A O no hydrogen 2.707 N/A ASN 23.A ND2 ASN 23.A O no hydrogen 3.111 N/A ASN 23.A ND2 PRO 229.A O no hydrogen 2.577 N/A ASN 24.A N THR 22.A OG1 no hydrogen 3.273 N/A VAL 26.A N LYS 17.A O no hydrogen 2.588 N/A VAL 30.A N ARG 27.A O no hydrogen 3.124 N/A ILE 33.A N VAL 10.A O no hydrogen 2.839 N/A ASN 35.A N LYS 8.A O no hydrogen 2.973 N/A ASN 35.A ND2 GLN 119.A O no hydrogen 2.877 N/A GLN 39.A N ASN 35.A O no hydrogen 2.985 N/A GLN 39.A NE2 MET 34.A O no hydrogen 2.993 N/A TYR 40.A N PRO 36.A O no hydrogen 3.173 N/A ALA 41.A N TYR 37.A O no hydrogen 3.002 N/A LEU 42.A N ASP 38.A O no hydrogen 2.848 N/A GLU 43.A N GLN 39.A O no hydrogen 2.896 N/A THR 44.A N TYR 40.A O no hydrogen 2.964 N/A THR 44.A OG1 TYR 40.A O no hydrogen 2.883 N/A ALA 45.A N ALA 41.A O no hydrogen 3.053 N/A LEU 46.A N LEU 42.A O no hydrogen 2.777 N/A GLN 47.A N GLU 43.A O no hydrogen 2.966 N/A GLN 47.A NE2 GLU 43.A OE2 no hydrogen 3.013 N/A LEU 48.A N THR 44.A O no hydrogen 3.041 N/A LYS 49.A N.A ALA 45.A O no hydrogen 2.905 N/A LYS 49.A N.B ALA 45.A O no hydrogen 2.876 N/A LYS 49.A NZ.A ALA 54.A O no hydrogen 3.091 N/A LYS 49.A NZ.A ASP 79.A OD1 no hydrogen 3.078 N/A LYS 49.A NZ.A ASP 79.A OD2 no hydrogen 2.811 N/A LYS 49.A NZ.B GLY 77.A O no hydrogen 2.732 N/A LYS 49.A NZ.B ASP 79.A OD1 no hydrogen 3.478 N/A ASP 50.A N LEU 46.A O no hydrogen 2.932 N/A GLU 51.A N GLN 47.A O no hydrogen 2.969 N/A LEU 52.A N LEU 48.A O no hydrogen 2.871 N/A GLY 53.A N LYS 49.A O.A no hydrogen 2.734 N/A GLY 53.A N LYS 49.A O.B no hydrogen 3.196 N/A HIS 55.A N MET 1.A O no hydrogen 2.789 N/A VAL 56.A N ASP 79.A OD2 no hydrogen 2.842 N/A THR 57.A N ILE 3.A O no hydrogen 2.952 N/A VAL 58.A N GLU 80.A O no hydrogen 2.929 N/A ILE 59.A N VAL 5.A O no hydrogen 2.990 N/A THR 60.A N.A LYS 82.A O no hydrogen 3.081 N/A THR 60.A N.B LYS 82.A O no hydrogen 3.112 N/A THR 60.A OG1.A VAL 7.A O no hydrogen 2.578 N/A GLY 62.A N VAL 84.A O no hydrogen 3.013 N/A HIS 65.A ND1 GLN 9.A OE1 no hydrogen 3.128 N/A ALA 66.A N PRO 63.A O no hydrogen 2.881 N/A GLU 67.A N PRO 64.A O no hydrogen 3.038 N/A SER 68.A N HIS 65.A O no hydrogen 3.289 N/A SER 68.A OG HIS 65.A O no hydrogen 3.223 N/A VAL 69.A N.A ALA 66.A O no hydrogen 3.008 N/A VAL 69.A N.B ALA 66.A O no hydrogen 3.077 N/A ARG 71.A N GLU 67.A O no hydrogen 3.030 N/A ARG 71.A NH1 ALA 194.A O no hydrogen 2.727 N/A ARG 71.A NH1 ALA 197.A O no hydrogen 2.789 N/A ARG 71.A NH2 GLU 67.A OE2 no hydrogen 2.775 N/A ASP 72.A N SER 68.A O no hydrogen 2.923 N/A CYS 73.A N VAL 69.A O.A no hydrogen 3.107 N/A CYS 73.A N VAL 69.A O.B no hydrogen 3.046 N/A CYS 73.A SG VAL 69.A O.A no hydrogen 3.596 N/A CYS 73.A SG VAL 69.A O.B no hydrogen 3.104 N/A LEU 74.A N LEU 70.A O no hydrogen 2.977 N/A ALA 75.A N ARG 71.A O no hydrogen 2.911 N/A GLY 77.A N LEU 74.A O no hydrogen 2.981 N/A ALA 78.A N CYS 73.A O no hydrogen 3.128 N/A ASP 79.A N VAL 56.A O no hydrogen 2.855 N/A GLU 80.A N VAL 56.A O no hydrogen 3.250 N/A LYS 82.A N VAL 58.A O no hydrogen 2.897 N/A LYS 82.A NZ TYR 202.A OH no hydrogen 3.043 N/A LEU 83.A N PRO 200.A O no hydrogen 3.055 N/A VAL 84.A N THR 60.A O.A no hydrogen 2.865 N/A VAL 84.A N THR 60.A O.B no hydrogen 2.889 N/A SER 85.A N TYR 202.A O no hydrogen 2.939 N/A SER 85.A OG GLY 62.A O no hydrogen 2.774 N/A ALA 88.A N ASP 86.A OD1 no hydrogen 2.850 N/A PHE 89.A N ASP 86.A O no hydrogen 2.952 N/A GLY 90.A N ARG 87.A O no hydrogen 2.909 N/A ASP 93.A N SER 219.A OG no hydrogen 2.808 N/A THR 94.A OG1 GLU 131.A OE1 no hydrogen 3.332 N/A ALA 96.A N ASP 93.A OD1 no hydrogen 3.159 N/A THR 97.A N ASP 93.A O no hydrogen 2.879 N/A THR 97.A OG1 ASP 93.A O no hydrogen 2.823 N/A SER 98.A N THR 94.A O no hydrogen 2.950 N/A SER 98.A OG THR 94.A O no hydrogen 2.861 N/A SER 98.A OG LEU 95.A O no hydrogen 2.936 N/A SER 98.A OG GLU 131.A OE1 no hydrogen 3.380 N/A SER 98.A OG HIS 135.A NE2 no hydrogen 2.914 N/A ALA 99.A N LEU 95.A O no hydrogen 2.829 N/A ALA 100.A N ALA 96.A O no hydrogen 2.965 N/A MET 101.A N.A THR 97.A O no hydrogen 3.037 N/A MET 101.A N.B THR 97.A O no hydrogen 3.026 N/A ALA 102.A N SER 98.A O no hydrogen 2.887 N/A ASN 103.A N ALA 99.A O no hydrogen 3.000 N/A ASN 103.A ND2 ALA 99.A O no hydrogen 2.820 N/A THR 104.A N ALA 100.A O no hydrogen 2.880 N/A THR 104.A OG1 ALA 100.A O no hydrogen 2.841 N/A ILE 105.A N MET 101.A O.A no hydrogen 2.796 N/A ILE 105.A N MET 101.A O.B no hydrogen 2.977 N/A LYS 106.A N ALA 102.A O no hydrogen 2.917 N/A LYS 106.A NZ ASN 103.A OD1 no hydrogen 2.948 N/A HIS 107.A N ASN 103.A O no hydrogen 3.069 N/A PHE 108.A N THR 104.A O no hydrogen 3.427 N/A PHE 108.A N ILE 105.A O no hydrogen 3.233 N/A GLY 109.A N LYS 106.A O no hydrogen 3.066 N/A ASP 112.A N ASN 2.A O no hydrogen 2.914 N/A LEU 113.A N ASN 2.A O no hydrogen 3.176 N/A ILE 114.A N CYS 173.A O no hydrogen 3.046 N/A LEU 115.A N VAL 4.A O no hydrogen 2.850 N/A CYS 116.A N VAL 175.A O no hydrogen 3.038 N/A ARG 118.A N VAL 177.A O no hydrogen 2.939 N/A ARG 118.A NH2 GLN 119.A OE1 no hydrogen 2.732 N/A GLN 119.A NE2 ASP 124.A OD1 no hydrogen 2.791 N/A ILE 121.A N ASN 35.A OD1 no hydrogen 2.963 N/A GLY 123.A N ASP 122.A OD1 no hydrogen 2.906 N/A ASP 124.A N ALA 120.A O no hydrogen 2.766 N/A GLN 127.A N THR 125.A OG1 no hydrogen 3.175 N/A GLN 127.A NE2 THR 94.A OG1 no hydrogen 2.913 N/A GLU 131.A N GLN 127.A O no hydrogen 3.111 N/A ILE 132.A N VAL 128.A O no hydrogen 2.870 N/A ALA 133.A N GLY 129.A O no hydrogen 3.004 N/A GLU 134.A N PRO 130.A O no hydrogen 2.921 N/A HIS 135.A N GLU 131.A O no hydrogen 2.896 N/A HIS 135.A NE2 SER 98.A OG no hydrogen 2.914 N/A LEU 136.A N ILE 132.A O no hydrogen 2.951 N/A GLY 137.A N GLU 134.A O no hydrogen 3.034 N/A LEU 138.A N ALA 133.A O no hydrogen 2.918 N/A VAL 141.A N VAL 174.A O no hydrogen 3.089 N/A ALA 143.A N THR 176.A OG1 no hydrogen 3.005 N/A ALA 144.A N THR 176.A O no hydrogen 2.784 N/A LEU 145.A N ASP 157.A O no hydrogen 2.795 N/A GLN 148.A N VAL 155.A O no hydrogen 2.862 N/A LYS 150.A N THR 153.A O no hydrogen 2.802 N/A THR 153.A N LYS 150.A O no hydrogen 2.968 N/A THR 153.A OG1 LYS 150.A O no hydrogen 3.247 N/A VAL 154.A N MET 169.A O no hydrogen 2.780 N/A VAL 155.A N GLN 148.A O no hydrogen 2.853 N/A VAL 156.A N PHE 167.A O no hydrogen 2.816 N/A ASP 157.A N LYS 146.A O no hydrogen 2.993 N/A ARG 158.A N MET 165.A O no hydrogen 3.012 N/A ARG 158.A NE THR 142.A O no hydrogen 2.884 N/A ARG 158.A NH1 ASP 159.A O no hydrogen 2.928 N/A ARG 158.A NH2 THR 142.A OG1 no hydrogen 3.351 N/A ASN 160.A N MET 163.A O no hydrogen 2.924 N/A ASN 160.A ND2 GLN 162.A OE1 no hydrogen 3.424 N/A GLU 161.A N GLU 161.A OE1 no hydrogen 2.869 N/A GLN 162.A N ASN 160.A OD1 no hydrogen 3.087 N/A MET 163.A N ASN 160.A OD1 no hydrogen 2.928 N/A SER 164.A OG ASP 159.A OD1 no hydrogen 3.041 N/A MET 165.A N ARG 158.A O no hydrogen 2.987 N/A THR 166.A OG1 ASP 157.A OD1 no hydrogen 2.872 N/A PHE 167.A N VAL 156.A O no hydrogen 2.888 N/A MET 169.A N VAL 154.A O no hydrogen 2.973 N/A MET 171.A N ASP 152.A O no hydrogen 3.120 N/A CYS 173.A N ASP 112.A O no hydrogen 3.315 N/A VAL 174.A N PRO 139.A O no hydrogen 2.992 N/A VAL 175.A N ILE 114.A O no hydrogen 2.913 N/A THR 176.A N VAL 141.A O no hydrogen 3.045 N/A VAL 177.A N CYS 116.A O no hydrogen 2.880 N/A MET 178.A N ALA 144.A O no hydrogen 2.853 N/A ARG 179.A N ALA 144.A O no hydrogen 3.232 N/A SER 180.A OG TYR 40.A O no hydrogen 3.185 N/A SER 180.A OG LYS 181.A O no hydrogen 2.673 N/A LYS 181.A NZ ASP 182.A O no hydrogen 3.389 N/A ARG 184.A N GLU 43.A OE1 no hydrogen 3.017 N/A ARG 184.A NE GLU 43.A OE1 no hydrogen 2.921 N/A ARG 184.A NH1 ASP 50.A OD2 no hydrogen 2.781 N/A ARG 184.A NH2 GLU 43.A OE2 no hydrogen 2.920 N/A ARG 184.A NH2 ASP 50.A OD2 no hydrogen 3.451 N/A GLY 190.A N SER 187.A OG no hydrogen 3.026 N/A LYS 191.A N SER 187.A O no hydrogen 2.867 N/A MET 192.A N ILE 188.A O.A no hydrogen 2.958 N/A MET 192.A N ILE 188.A O.B no hydrogen 2.800 N/A LYS 193.A N ARG 189.A O no hydrogen 2.940 N/A ALA 194.A N GLY 190.A O no hydrogen 2.999 N/A ARG 195.A N LYS 191.A O no hydrogen 2.922 N/A LYS 196.A N MET 192.A O no hydrogen 3.195 N/A LYS 196.A N LYS 193.A O no hydrogen 3.248 N/A ALA 197.A N LYS 193.A O no hydrogen 3.244 N/A ALA 197.A N ALA 194.A O no hydrogen 3.276 N/A TYR 202.A N LEU 83.A O no hydrogen 2.819 N/A ALA 204.A N ASP 86.A OD2 no hydrogen 2.879 N/A ALA 206.A N THR 203.A OG1 no hydrogen 3.047 N/A LEU 207.A N THR 203.A O no hydrogen 3.164 N/A GLU 208.A N ALA 205.A O no hydrogen 3.095 N/A ILE 209.A N ALA 204.A O no hydrogen 3.069 N/A ILE 213.A N PRO 210.A O no hydrogen 3.353 N/A ILE 214.A N LEU 211.A O no hydrogen 3.500 N/A LYS 216.A N GLY 90.A O no hydrogen 3.051 N/A GLY 218.A N ILE 214.A O no hydrogen 3.041 N/A GLY 218.A N GLY 215.A O no hydrogen 3.094 N/A SER 219.A N LYS 216.A O no hydrogen 3.061 N/A SER 219.A OG GLY 91.A O no hydrogen 3.540 N/A SER 219.A OG ASP 93.A OD1 no hydrogen 3.460 N/A SER 219.A OG GLY 215.A O no hydrogen 2.706 N/A THR 221.A N ASP 93.A OD2 no hydrogen 3.022 N/A THR 221.A OG1 ASP 93.A OD2 no hydrogen 2.691 N/A VAL 231.A N ASN 23.A OD1 no hydrogen 3.054 N/A ALA 245.A N ASP 243.A OD1 no hydrogen 2.973 N/A VAL 246.A N ASP 243.A O no hydrogen 3.046 N/A ALA 247.A N ASP 243.A O no hydrogen 3.221 N/A VAL 248.A N PRO 244.A O no hydrogen 2.898 N/A ASP 249.A N ALA 245.A O no hydrogen 3.002 N/A LYS 250.A N VAL 246.A O no hydrogen 3.001 N/A LYS 250.A NZ ASP 241.A OD2 no hydrogen 2.908 N/A LEU 251.A N ALA 247.A O no hydrogen 2.863 N/A VAL 252.A N VAL 248.A O no hydrogen 2.863 N/A ASN 253.A N ASP 249.A O no hydrogen 2.963 N/A LYS 254.A N LYS 250.A O no hydrogen 3.131 N/A LYS 254.A NZ GLU 237.A OE2 no hydrogen 3.490 N/A LEU 255.A N LEU 251.A O no hydrogen 2.806 N/A ILE 256.A N.A VAL 252.A O no hydrogen 2.884 N/A ILE 256.A N.B VAL 252.A O no hydrogen 2.917 N/A GLU 257.A N ASN 253.A O no hydrogen 2.973 N/A ASP 258.A N LYS 254.A O no hydrogen 2.887 N/A LYS 259.A N ILE 256.A O.A no hydrogen 3.209 N/A LYS 259.A N ILE 256.A O.B no hydrogen 3.088 N/A ILE 260.A N LEU 255.A O no hydrogen 2.787 N/A ILE 261.A N LEU 255.A O no hydrogen 3.224 N/A