Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4whk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 5.A N HIS 1.A O no hydrogen 3.040 N/A LEU 6.A N LEU 2.A O no hydrogen 2.885 N/A GLN 7.A N SER 3.A O no hydrogen 2.991 N/A GLN 8.A N ASP 4.A O no hydrogen 3.003 N/A GLN 8.A NE2 PRO 173.A O no hydrogen 2.975 N/A LEU 9.A N MET 5.A O no hydrogen 2.852 N/A HIS 10.A N LEU 6.A O no hydrogen 2.781 N/A SER 11.A N GLN 7.A O no hydrogen 3.072 N/A SER 11.A OG GLU 196.A OE1 no hydrogen 2.564 N/A VAL 12.A N GLN 8.A O no hydrogen 3.118 N/A ASN 13.A N LEU 9.A O no hydrogen 2.879 N/A ALA 14.A N HIS 10.A O no hydrogen 2.890 N/A SER 15.A N SER 11.A O no hydrogen 3.311 N/A SER 15.A N VAL 12.A O no hydrogen 3.133 N/A SER 15.A OG VAL 12.A O no hydrogen 2.714 N/A LYS 16.A N ASN 13.A O no hydrogen 3.023 N/A GLU 19.A N LYS 16.A O no hydrogen 2.953 N/A ARG 20.A NE SER 15.A O no hydrogen 3.353 N/A ARG 20.A NH1 GLU 196.A O no hydrogen 2.876 N/A ARG 20.A NH1 GLU 197.A O no hydrogen 3.496 N/A ARG 20.A NH2 SER 15.A O no hydrogen 2.777 N/A ARG 20.A NH2 GLU 196.A O no hydrogen 2.853 N/A ARG 24.A N TYR 198.A O no hydrogen 2.885 N/A GLU 26.A N GLU 26.A OE2 no hydrogen 2.863 N/A GLU 27.A N ARG 24.A O no hydrogen 3.055 N/A ALA 28.A N GLN 25.A O no hydrogen 2.806 N/A GLU 29.A N GLU 26.A O no hydrogen 3.348 N/A ASP 30.A N THR 189.A O no hydrogen 2.874 N/A ALA 32.A N ASP 30.A OD1 no hydrogen 3.064 N/A CYS 33.A N ASP 30.A O no hydrogen 2.960 N/A CYS 33.A SG MET 175.A O no hydrogen 3.916 N/A ILE 34.A N PRO 31.A O no hydrogen 3.225 N/A TRP 38.A NE1 ALA 121.A O no hydrogen 2.952 N/A VAL 39.A N GLN 159.A OE1 no hydrogen 2.721 N/A SER 40.A N GLN 54.A O no hydrogen 2.799 N/A SER 40.A OG.A GLN 54.A O no hydrogen 3.043 N/A SER 40.A OG.B ALA 121.A O no hydrogen 3.222 N/A LYS 41.A N GLN 54.A O no hydrogen 3.396 N/A LYS 41.A NZ MET 114.A O no hydrogen 2.829 N/A LYS 41.A NZ LEU 118.A O no hydrogen 3.142 N/A VAL 43.A N GLY 52.A O no hydrogen 2.841 N/A TYR 45.A N GLY 50.A O no hydrogen 2.826 N/A SER 46.A N ASP 44.A OD1 no hydrogen 2.954 N/A SER 46.A OG ASP 44.A OD1 no hydrogen 2.507 N/A LYS 48.A N TYR 45.A O no hydrogen 2.983 N/A TYR 49.A N TYR 45.A O no hydrogen 2.859 N/A GLY 50.A N TYR 45.A O no hydrogen 3.079 N/A LEU 51.A N LEU 63.A O no hydrogen 2.971 N/A GLY 52.A N VAL 43.A O no hydrogen 2.946 N/A TYR 53.A N GLY 61.A O no hydrogen 2.884 N/A GLN 54.A N LYS 41.A O no hydrogen 2.930 N/A GLN 54.A NE2 SER 40.A OG.A no hydrogen 2.842 N/A LEU 55.A N SER 59.A O no hydrogen 2.881 N/A CYS 56.A N TRP 38.A O no hydrogen 2.999 N/A CYS 56.A SG ILE 36.A O no hydrogen 3.312 N/A ASN 58.A N LEU 55.A O no hydrogen 2.901 N/A SER 59.A N ASP 57.A OD1 no hydrogen 2.969 N/A SER 59.A OG ASP 57.A OD1 no hydrogen 2.664 N/A VAL 60.A N LEU 72.A O no hydrogen 3.038 N/A GLY 61.A N TYR 53.A O no hydrogen 2.935 N/A VAL 62.A N LEU 70.A O no hydrogen 2.849 N/A LEU 63.A N LEU 51.A O no hydrogen 2.848 N/A PHE 64.A N THR 68.A O no hydrogen 2.856 N/A ASN 65.A N TYR 49.A O no hydrogen 2.914 N/A ASN 65.A ND2 SER 46.A O no hydrogen 3.042 N/A SER 67.A N PHE 64.A O no hydrogen 2.974 N/A THR 68.A N ASP 66.A OD1 no hydrogen 2.996 N/A THR 68.A OG1 ASP 66.A OD1 no hydrogen 2.654 N/A THR 68.A OG1 TYR 81.A OH no hydrogen 3.351 N/A ARG 69.A N ILE 82.A O no hydrogen 3.044 N/A ARG 69.A NE LEU 139.A O no hydrogen 2.892 N/A ARG 69.A NH2 ARG 140.A O no hydrogen 2.647 N/A LEU 70.A N VAL 62.A O no hydrogen 3.076 N/A ILE 71.A N GLN 80.A O no hydrogen 2.889 N/A LEU 72.A N VAL 60.A O no hydrogen 2.815 N/A TYR 73.A N SER 78.A O no hydrogen 2.870 N/A ASN 74.A ND2 ASP 57.A O no hydrogen 3.097 N/A GLY 76.A N TYR 73.A O no hydrogen 2.952 N/A ASP 77.A N ASP 75.A OD1 no hydrogen 2.877 N/A SER 78.A N ASP 75.A OD1 no hydrogen 2.761 N/A SER 78.A OG ASP 75.A OD1 no hydrogen 3.509 N/A SER 78.A OG ASP 75.A OD2 no hydrogen 2.651 N/A LEU 79.A N LEU 91.A O no hydrogen 2.892 N/A GLN 80.A N ILE 71.A O no hydrogen 2.898 N/A TYR 81.A N SER 89.A O no hydrogen 2.839 N/A ILE 82.A N ARG 69.A O no hydrogen 2.836 N/A GLU 83.A N THR 87.A O no hydrogen 2.813 N/A GLY 86.A N GLU 83.A O no hydrogen 2.919 N/A THR 87.A N ASP 85.A OD1 no hydrogen 2.909 N/A THR 87.A OG1 ASP 85.A OD1 no hydrogen 2.497 N/A THR 87.A OG1 ASP 85.A OD2 no hydrogen 3.538 N/A SER 89.A N TYR 81.A O no hydrogen 2.849 N/A LEU 91.A N LEU 79.A O no hydrogen 2.875 N/A THR 92.A N SER 95.A O no hydrogen 3.330 N/A THR 92.A OG1 SER 94.A OG no hydrogen 3.155 N/A THR 92.A OG1 SER 95.A O no hydrogen 3.171 N/A VAL 93.A N ASP 77.A O no hydrogen 2.852 N/A SER 94.A N ASP 77.A OD1 no hydrogen 2.880 N/A SER 94.A OG ASP 77.A OD1 no hydrogen 3.376 N/A SER 94.A OG ASP 77.A OD2 no hydrogen 3.039 N/A SER 94.A OG THR 92.A OG1 no hydrogen 3.155 N/A SER 95.A N THR 92.A OG1 no hydrogen 2.952 N/A HIS 96.A ND1 PRO 97.A O no hydrogen 2.800 N/A LEU 100.A N PRO 97.A O no hydrogen 2.999 N/A MET 101.A N ASN 98.A O no hydrogen 2.985 N/A LYS 103.A NZ ASP 66.A OD2 no hydrogen 2.666 N/A LYS 103.A NZ THR 68.A OG1 no hydrogen 2.886 N/A LYS 103.A NZ TYR 81.A OH no hydrogen 2.911 N/A ILE 104.A N LEU 100.A O no hydrogen 2.891 N/A THR 105.A N MET 101.A O no hydrogen 2.953 N/A THR 105.A OG1 MET 101.A O no hydrogen 2.772 N/A LEU 106.A N LYS 102.A O no hydrogen 2.958 N/A LEU 107.A N LYS 103.A O no hydrogen 2.933 N/A LYS 108.A N ILE 104.A O no hydrogen 3.005 N/A TYR 109.A N THR 105.A O no hydrogen 2.970 N/A PHE 110.A N LEU 106.A O no hydrogen 2.933 N/A ARG 111.A N LEU 107.A O no hydrogen 2.757 N/A ASN 112.A N LYS 108.A O no hydrogen 2.822 N/A TYR 113.A N TYR 109.A O no hydrogen 3.037 N/A MET 114.A N PHE 110.A O no hydrogen 2.984 N/A SER 115.A N ARG 111.A O no hydrogen 2.998 N/A SER 115.A OG GLU 116.A OE2 no hydrogen 2.900 N/A GLU 116.A N ASN 112.A O no hydrogen 3.213 N/A HIS 117.A N TYR 113.A O no hydrogen 2.870 N/A LEU 118.A N MET 114.A O no hydrogen 3.451 N/A LYS 120.A NZ CYS 56.A O no hydrogen 2.967 N/A ALA 121.A N SER 40.A O no hydrogen 2.934 N/A ASN 124.A ND2 ARG 185.A O no hydrogen 2.879 N/A ILE 125.A N GLY 122.A O no hydrogen 2.881 N/A ARG 128.A N PRO 35.A O no hydrogen 2.997 N/A ARG 128.A NE ILE 34.A O no hydrogen 2.850 N/A LEU 133.A N ASP 131.A OD1 no hydrogen 2.904 N/A ALA 134.A N ASP 131.A O no hydrogen 2.991 N/A LEU 136.A N TYR 73.A OH no hydrogen 3.160 N/A TYR 138.A N SER 154.A OG no hydrogen 2.825 N/A LEU 139.A N TYR 53.A OH no hydrogen 3.097 N/A ARG 140.A N HIS 152.A O no hydrogen 2.804 N/A THR 141.A N HIS 152.A O no hydrogen 3.463 N/A PHE 143.A N ILE 150.A O no hydrogen 3.031 N/A THR 145.A N ALA 148.A O no hydrogen 2.815 N/A THR 145.A OG1 ALA 148.A O no hydrogen 3.217 N/A THR 145.A OG1 TYR 210.A OH no hydrogen 2.780 N/A SER 147.A N THR 145.A OG1 no hydrogen 3.328 N/A SER 147.A OG.A TYR 210.A OH no hydrogen 2.708 N/A ALA 148.A N THR 145.A OG1 no hydrogen 3.098 N/A ILE 149.A N ASN 161.A O no hydrogen 3.008 N/A ILE 150.A N PHE 143.A O no hydrogen 2.856 N/A LEU 151.A N GLN 159.A O no hydrogen 2.776 N/A HIS 152.A N THR 141.A O no hydrogen 2.891 N/A LEU 153.A N SER 157.A O no hydrogen 2.843 N/A SER 154.A N TYR 138.A O no hydrogen 2.779 N/A SER 154.A OG TYR 138.A O no hydrogen 3.551 N/A GLY 156.A N LEU 153.A O no hydrogen 2.910 N/A VAL 158.A N LEU 171.A O no hydrogen 2.846 N/A GLN 159.A N LEU 151.A O no hydrogen 2.764 N/A GLN 159.A NE2 VAL 39.A O no hydrogen 2.967 N/A GLN 159.A NE2 ASN 161.A OD1 no hydrogen 2.959 N/A ILE 160.A N LEU 169.A O no hydrogen 2.798 N/A ASN 161.A N ILE 149.A O no hydrogen 2.932 N/A PHE 162.A N THR 167.A O no hydrogen 2.701 N/A PHE 163.A N SER 147.A O no hydrogen 2.883 N/A THR 167.A N ASP 165.A OD1 no hydrogen 2.924 N/A THR 167.A OG1 ASP 165.A OD1 no hydrogen 2.652 N/A THR 167.A OG1 ASP 165.A OD2 no hydrogen 3.527 N/A LYS 168.A N ILE 181.A O no hydrogen 2.940 N/A LYS 168.A NZ HIS 166.A O no hydrogen 3.052 N/A LEU 169.A N ILE 160.A O no hydrogen 2.749 N/A ILE 170.A N THR 179.A O no hydrogen 2.815 N/A LEU 171.A N VAL 158.A O no hydrogen 2.658 N/A CYS 172.A N ALA 177.A O no hydrogen 3.040 N/A ALA 177.A N CYS 172.A O no hydrogen 3.112 N/A VAL 178.A N TYR 190.A O no hydrogen 2.930 N/A THR 179.A N ILE 170.A O no hydrogen 2.827 N/A THR 179.A OG1 THR 189.A OG1 no hydrogen 2.770 N/A TYR 180.A N ARG 188.A O no hydrogen 2.880 N/A ILE 181.A N LYS 168.A O no hydrogen 2.832 N/A ASP 182.A N ASP 186.A O no hydrogen 2.899 N/A LYS 184.A N ASP 182.A OD1 no hydrogen 2.993 N/A ARG 185.A N ASP 182.A O no hydrogen 2.875 N/A ASP 186.A N ASP 182.A OD1 no hydrogen 2.976 N/A ARG 188.A N TYR 180.A O no hydrogen 3.102 N/A ARG 188.A NE GLU 29.A OE2 no hydrogen 3.266 N/A ARG 188.A NH1 PHE 187.A O no hydrogen 3.020 N/A THR 189.A OG1 THR 179.A OG1 no hydrogen 2.770 N/A TYR 190.A N VAL 178.A O no hydrogen 2.705 N/A ARG 191.A N ALA 28.A O no hydrogen 3.036 N/A ARG 191.A NE ASP 30.A OD2 no hydrogen 2.774 N/A ARG 191.A NH1 SER 193.A OG no hydrogen 3.227 N/A LEU 192.A N ALA 176.A O no hydrogen 2.968 N/A LEU 194.A N ARG 191.A O no hydrogen 2.897 N/A LEU 195.A N ARG 191.A O no hydrogen 3.082 N/A GLU 196.A N LEU 192.A O no hydrogen 3.131 N/A GLU 197.A N SER 193.A O no hydrogen 3.361 N/A TYR 198.A N LEU 194.A O no hydrogen 2.826 N/A GLY 199.A N LEU 195.A O no hydrogen 2.912 N/A CYS 200.A N PRO 17.A O no hydrogen 2.968 N/A CYS 200.A SG CYS 201.A O no hydrogen 3.619 N/A CYS 201.A SG.B GLU 203.A OE1 no hydrogen 3.368 N/A GLU 203.A N GLU 203.A OE1 no hydrogen 2.638 N/A ALA 205.A N CYS 201.A O no hydrogen 3.038 N/A SER 206.A N LYS 202.A O no hydrogen 2.902 N/A ARG 207.A N GLU 203.A O no hydrogen 3.064 N/A ARG 207.A NE THR 167.A OG1 no hydrogen 3.240 N/A ARG 207.A NH1 GLU 203.A O no hydrogen 3.216 N/A LEU 208.A N LEU 204.A O no hydrogen 2.927 N/A ARG 209.A N ALA 205.A O no hydrogen 2.957 N/A TYR 210.A N SER 206.A O no hydrogen 3.014 N/A TYR 210.A OH THR 145.A OG1 no hydrogen 2.780 N/A ALA 211.A N ARG 207.A O no hydrogen 2.816 N/A ARG 212.A N LEU 208.A O no hydrogen 3.154 N/A ARG 212.A NH2 ASP 216.A OD2 no hydrogen 2.215 N/A THR 213.A N ARG 209.A O no hydrogen 3.294 N/A THR 213.A OG1 ARG 209.A O no hydrogen 3.397 N/A MET 214.A N TYR 210.A O no hydrogen 2.960 N/A VAL 215.A N ALA 211.A O no hydrogen 2.881 N/A ASP 216.A N ARG 212.A O no hydrogen 2.923 N/A LYS 217.A N THR 213.A O no hydrogen 2.977 N/A LEU 218.A N MET 214.A O no hydrogen 2.890 N/A LEU 219.A N VAL 215.A O no hydrogen 2.818 N/A SER 220.A N ASP 216.A O no hydrogen 3.056 N/A