Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4h4j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A NE2 ASP 6.A OD1 no hydrogen 2.827 N/A LYS 5.A N GLY 1.A O no hydrogen 3.133 N/A ASP 6.A N GLN 2.A O no hydrogen 2.892 N/A SER 8.A N LYS 5.A O no hydrogen 2.871 N/A SER 8.A OG.A LYS 5.A O no hydrogen 3.114 N/A SER 8.A OG.A ASP 6.A O no hydrogen 3.285 N/A SER 8.A OG.B LYS 5.A O no hydrogen 2.880 N/A ASN 9.A N ASP 6.A O no hydrogen 2.894 N/A ASN 9.A ND2 THR 51.A OG1 no hydrogen 2.897 N/A ILE 11.A N LEU 7.A O no hydrogen 2.877 N/A LYS 12.A N SER 8.A O no hydrogen 3.168 N/A LYS 12.A NZ.A ASN 9.A OD1 no hydrogen 3.156 N/A LYS 12.A NZ.A GLU 50.A OE2 no hydrogen 2.909 N/A LYS 12.A NZ.B GLU 50.A OE2 no hydrogen 2.602 N/A TYR 13.A N GLY 10.A O no hydrogen 2.961 N/A LEU 14.A N ILE 11.A O no hydrogen 3.048 N/A ASP 15.A N VAL 205.A O no hydrogen 2.936 N/A VAL 16.A N TYR 13.A O no hydrogen 2.965 N/A TYR 18.A N.A LYS 203.A O no hydrogen 2.945 N/A TYR 18.A N.B LYS 203.A O no hydrogen 2.949 N/A VAL 19.A N VAL 38.A O no hydrogen 2.904 N/A GLU 24.A N.A HIS 21.A O no hydrogen 3.098 N/A GLU 24.A N.B HIS 21.A O no hydrogen 3.108 N/A ASN 34.A N TYR 46.A OH no hydrogen 3.022 N/A ASN 34.A ND2 GLU 37.A OE1 no hydrogen 2.954 N/A CYS 35.A SG TYR 13.A OH no hydrogen 3.740 N/A ASP 36.A N ASN 34.A OD1 no hydrogen 3.246 N/A VAL 38.A N PRO 17.A O no hydrogen 3.061 N/A ASP 39.A N THR 42.A OG1 no hydrogen 3.057 N/A CYS 40.A SG.B HIS 183.A ND1 no hydrogen 3.396 N/A THR 41.A N ASP 39.A OD1 no hydrogen 2.948 N/A THR 41.A OG1.B ASP 39.A OD1 no hydrogen 2.997 N/A THR 42.A N ASP 39.A OD1 no hydrogen 2.815 N/A LEU 43.A N ASP 39.A O no hydrogen 3.040 N/A GLU 45.A N THR 41.A O no hydrogen 2.961 N/A TYR 46.A N THR 42.A O no hydrogen 2.871 N/A TYR 46.A OH ASN 34.A O no hydrogen 3.239 N/A VAL 47.A N LEU 43.A O no hydrogen 3.006 N/A LEU 48.A N VAL 44.A O no hydrogen 2.889 N/A ALA 49.A N GLU 45.A O no hydrogen 2.866 N/A GLU 50.A N TYR 46.A O no hydrogen 2.982 N/A THR 51.A N VAL 47.A O no hydrogen 2.952 N/A THR 51.A OG1 VAL 47.A O no hydrogen 2.754 N/A LEU 52.A N LEU 48.A O no hydrogen 2.924 N/A THR 53.A N GLU 50.A O no hydrogen 3.017 N/A THR 53.A OG1 ALA 49.A O no hydrogen 2.699 N/A SER 61.A OG SER 59.A OG no hydrogen 2.942 N/A ALA 62.A N SER 59.A OG no hydrogen 3.009 N/A PHE 63.A N SER 59.A O no hydrogen 2.927 N/A ALA 64.A N GLU 60.A O no hydrogen 2.949 N/A ASP 65.A N SER 61.A O no hydrogen 2.927 N/A ASN 66.A N ALA 62.A O no hydrogen 2.971 N/A ASN 66.A ND2 THR 53.A OG1 no hydrogen 2.870 N/A LEU 67.A N PHE 63.A O no hydrogen 2.849 N/A GLN 68.A N ALA 64.A O no hydrogen 2.884 N/A GLN 68.A NE2 GLY 75.A O no hydrogen 2.904 N/A LYS 69.A N ASP 65.A O no hydrogen 3.108 N/A ILE 70.A N ASN 66.A O no hydrogen 3.037 N/A ILE 70.A N LEU 67.A O no hydrogen 3.140 N/A ARG 71.A N LEU 67.A O no hydrogen 2.880 N/A ARG 71.A NE GLU 45.A OE1 no hydrogen 2.844 N/A ARG 71.A NH1 VAL 32.A O no hydrogen 2.735 N/A ARG 71.A NH2 GLU 45.A OE1 no hydrogen 2.956 N/A TYR 72.A N GLN 68.A O no hydrogen 3.130 N/A TYR 72.A OH GLU 29.A OE2 no hydrogen 2.568 N/A ARG 73.A N SER 82.A O no hydrogen 2.982 N/A ARG 73.A NH1 THR 81.A O no hydrogen 2.910 N/A ARG 73.A NH2 ASP 89.A OD2 no hydrogen 2.772 N/A ASP 74.A N ASN 93.A OD1 no hydrogen 2.843 N/A GLY 75.A N TYR 72.A O no hydrogen 2.863 N/A LYS 76.A N ARG 73.A O no hydrogen 3.063 N/A ASP 78.A N SER 82.A OG no hydrogen 2.836 N/A SER 82.A N GLY 79.A O no hydrogen 3.030 N/A SER 82.A OG GLY 79.A O no hydrogen 2.629 N/A ARG 83.A N TYR 80.A O no hydrogen 3.257 N/A ARG 83.A NE GLU 29.A OE2 no hydrogen 2.976 N/A ARG 83.A NH1 GLU 24.A OE1.A no hydrogen 3.352 N/A ARG 83.A NH1 GLU 24.A OE1.B no hydrogen 3.527 N/A ARG 83.A NH1 GLU 24.A OE2.A no hydrogen 2.864 N/A ARG 83.A NH1 GLU 24.A OE2.B no hydrogen 2.801 N/A ARG 83.A NH2 GLU 24.A OE1.A no hydrogen 2.805 N/A ARG 83.A NH2 GLU 24.A OE1.B no hydrogen 2.952 N/A ARG 83.A NH2 GLU 29.A OE1 no hydrogen 2.915 N/A ARG 83.A NH2 GLU 29.A OE2 no hydrogen 3.418 N/A LEU 84.A N ARG 71.A O no hydrogen 2.888 N/A HIS 85.A N ARG 83.A O no hydrogen 2.982 N/A HIS 85.A NE2 TYR 80.A O no hydrogen 2.951 N/A TYR 86.A OH GLU 140.A OE2 no hydrogen 2.600 N/A ALA 88.A N ASP 180.A OD2 no hydrogen 2.802 N/A TRP 90.A N TYR 86.A O no hydrogen 2.951 N/A TRP 90.A NE1 GLU 45.A OE2 no hydrogen 2.972 N/A ILE 91.A N ILE 87.A O no hydrogen 2.804 N/A ASN 92.A N ALA 88.A O no hydrogen 2.996 N/A ASN 93.A N ASP 89.A O no hydrogen 2.913 N/A ASN 93.A ND2 LYS 69.A O no hydrogen 2.924 N/A GLY 94.A N TRP 90.A O no hydrogen 3.142 N/A VAL 95.A N ILE 91.A O no hydrogen 2.898 N/A ARG 96.A N ASN 92.A O no hydrogen 2.851 N/A ARG 96.A NE ASP 74.A OD1 no hydrogen 2.965 N/A ARG 96.A NH2 ASP 74.A OD1 no hydrogen 2.864 N/A ASN 97.A N ASN 93.A O no hydrogen 3.004 N/A ASN 97.A ND2 ASP 74.A OD1 no hydrogen 2.852 N/A ASN 97.A ND2 ASN 93.A O no hydrogen 3.030 N/A ASN 97.A ND2 ASN 93.A OD1 no hydrogen 3.051 N/A GLY 98.A N VAL 95.A O no hydrogen 3.201 N/A PHE 99.A N GLY 94.A O no hydrogen 2.929 N/A LEU 100.A N GLY 94.A O no hydrogen 3.099 N/A GLN 101.A N ARG 228.A O no hydrogen 2.843 N/A VAL 103.A N VAL 226.A O no hydrogen 2.848 N/A THR 104.A N VAL 226.A O no hydrogen 3.280 N/A THR 104.A OG1 ASP 102.A OD1 no hydrogen 3.454 N/A THR 104.A OG1 VAL 226.A O no hydrogen 3.466 N/A GLY 105.A N ASP 102.A OD1 no hydrogen 2.885 N/A ALA 106.A N VAL 103.A O no hydrogen 2.980 N/A SER 107.A OG TYR 150.A O no hydrogen 2.597 N/A ASP 109.A N SER 107.A OG no hydrogen 3.320 N/A THR 110.A OG1 GLU 147.A OE1 no hydrogen 2.977 N/A GLU 111.A N.A VAL 148.A O no hydrogen 2.835 N/A GLU 111.A N.B VAL 148.A O no hydrogen 2.833 N/A ARG 112.A NH1.A GLU 147.A OE2 no hydrogen 3.400 N/A LEU 113.A N LYS 146.A O no hydrogen 2.836 N/A ILE 115.A N SER 144.A OG no hydrogen 2.935 N/A SER 116.A N GLY 178.A O no hydrogen 2.879 N/A TYR 117.A N GLY 178.A O no hydrogen 3.014 N/A SER 118.A OG GLU 140.A OE1 no hydrogen 2.558 N/A SER 118.A OG GLU 140.A OE2 no hydrogen 3.489 N/A SER 119.A N SER 116.A O no hydrogen 3.087 N/A SER 119.A OG.A SER 116.A O no hydrogen 2.902 N/A SER 119.A OG.B SER 116.A O no hydrogen 3.198 N/A SER 119.A OG.B TYR 117.A O no hydrogen 3.116 N/A HIS 120.A N TYR 117.A O no hydrogen 2.975 N/A GLN 122.A N GLN 122.A OE1 no hydrogen 2.924 N/A LEU 123.A N HIS 120.A O no hydrogen 3.133 N/A TYR 124.A N.A PRO 121.A O no hydrogen 3.129 N/A TYR 124.A N.B PRO 121.A O no hydrogen 3.177 N/A LYS 125.A NZ.B GLU 24.A O.A no hydrogen 3.500 N/A LYS 125.A NZ.B GLU 24.A O.B no hydrogen 2.526 N/A LYS 125.A NZ.B ASP 26.A OD1.A no hydrogen 2.831 N/A LYS 125.A NZ.B ASP 26.A OD1.B no hydrogen 2.894 N/A GLN 126.A N.A GLN 126.A OE1.A no hydrogen 2.767 N/A GLN 126.A N.B GLN 126.A OE1.B no hydrogen 2.726 N/A GLN 126.A NE2.A GLU 24.A OE1.A no hydrogen 2.853 N/A GLN 126.A NE2.A GLU 24.A OE1.B no hydrogen 2.758 N/A GLN 126.A NE2.B GLU 24.A OE1.A no hydrogen 2.615 N/A GLN 126.A NE2.B GLU 24.A OE1.B no hydrogen 2.471 N/A LEU 127.A N.A TYR 124.A O.A no hydrogen 2.907 N/A LEU 127.A N.B TYR 124.A O.A no hydrogen 1.809 N/A LEU 127.A N.B TYR 124.A O.B no hydrogen 2.888 N/A ALA 128.A N.A TYR 124.A O.A no hydrogen 2.893 N/A ALA 128.A N.B TYR 124.A O.A no hydrogen 2.552 N/A ALA 128.A N.B TYR 124.A O.B no hydrogen 2.776 N/A SER 130.A N.A LEU 127.A O.A no hydrogen 3.138 N/A SER 130.A N.B LEU 127.A O.A no hydrogen 2.591 N/A SER 130.A N.B LEU 127.A O.B no hydrogen 3.217 N/A ASN 133.A N.A SER 130.A OG.A no hydrogen 2.912 N/A ASN 133.A N.B SER 130.A OG.B no hydrogen 2.864 N/A ASN 133.A ND2.A GLN 126.A O.A no hydrogen 2.831 N/A ASN 133.A ND2.B GLN 126.A O.A no hydrogen 1.680 N/A ASN 133.A ND2.B GLN 126.A O.B no hydrogen 2.941 N/A VAL 134.A N.A SER 130.A O.A no hydrogen 2.995 N/A VAL 134.A N.B SER 130.A O.A no hydrogen 2.640 N/A VAL 134.A N.B SER 130.A O.B no hydrogen 2.932 N/A ALA 135.A N.A PRO 131.A O.A no hydrogen 3.004 N/A ALA 135.A N.A GLU 132.A O.B no hydrogen 3.060 N/A ALA 135.A N.B PRO 131.A O.A no hydrogen 2.825 N/A ALA 135.A N.B PRO 131.A O.B no hydrogen 2.947 N/A LYS 136.A N.A GLU 132.A O.A no hydrogen 3.050 N/A LYS 136.A N.B GLU 132.A O.A no hydrogen 2.686 N/A LYS 136.A N.B GLU 132.A O.B no hydrogen 3.165 N/A LYS 138.A N ALA 135.A O.A no hydrogen 3.032 N/A LYS 138.A N ALA 135.A O.B no hydrogen 3.483 N/A LYS 138.A NZ.B GLN 141.A OE1 no hydrogen 2.771 N/A ILE 139.A N LYS 136.A O.A no hydrogen 2.994 N/A ILE 139.A N LYS 136.A O.B no hydrogen 3.287 N/A GLN 141.A N LYS 137.A O no hydrogen 2.855 N/A SER 142.A N LYS 138.A O no hydrogen 3.077 N/A SER 142.A OG.A ILE 139.A O no hydrogen 2.682 N/A SER 142.A OG.B LYS 138.A O no hydrogen 3.290 N/A LEU 143.A N ILE 139.A O no hydrogen 3.054 N/A SER 144.A N GLU 140.A O no hydrogen 2.985 N/A SER 144.A OG GLU 140.A O no hydrogen 2.852 N/A GLY 145.A N LEU 113.A O no hydrogen 2.843 N/A LYS 146.A NZ.A SER 142.A O no hydrogen 3.107 N/A LYS 146.A NZ.B SER 142.A O no hydrogen 3.050 N/A LYS 146.A NZ.B SER 144.A O no hydrogen 2.965 N/A VAL 148.A N GLU 111.A O.A no hydrogen 2.876 N/A VAL 148.A N GLU 111.A O.B no hydrogen 2.875 N/A HIS 149.A ND1 SER 107.A O no hydrogen 2.566 N/A TYR 150.A N ASP 109.A O no hydrogen 2.992 N/A LEU 151.A N ILE 224.A O no hydrogen 2.811 N/A LYS 153.A N THR 222.A O no hydrogen 2.954 N/A LYS 153.A NZ LEU 215.A O no hydrogen 2.850 N/A LYS 153.A NZ TRP 221.A O no hydrogen 2.750 N/A LYS 155.A N PRO 152.A O no hydrogen 2.915 N/A LYS 155.A NZ ASP 109.A OD2 no hydrogen 2.834 N/A LEU 156.A N LYS 153.A O no hydrogen 3.125 N/A GLY 160.A N PRO 157.A O no hydrogen 2.911 N/A ILE 164.A N LEU 161.A O no hydrogen 2.960 N/A LYS 165.A N ASP 168.A OD2 no hydrogen 2.843 N/A LYS 165.A NZ.A PRO 162.A O no hydrogen 3.113 N/A GLY 167.A N ALA 186.A O no hydrogen 2.925 N/A ASP 168.A N LYS 165.A O no hydrogen 2.949 N/A ILE 169.A N LEU 227.A O no hydrogen 2.822 N/A ILE 170.A N GLY 184.A O no hydrogen 2.836 N/A ALA 171.A N ARG 225.A O no hydrogen 2.884 N/A ILE 172.A N HIS 183.A O no hydrogen 2.822 N/A THR 173.A N GLY 223.A O no hydrogen 2.908 N/A THR 173.A OG1 THR 222.A OG1 no hydrogen 2.744 N/A THR 174.A N ASP 180.A O no hydrogen 3.112 N/A THR 174.A OG1 THR 176.A OG1 no hydrogen 3.259 N/A THR 174.A OG1 LYS 220.A O no hydrogen 2.956 N/A ASN 175.A N LYS 220.A O no hydrogen 2.966 N/A ASN 175.A ND2 ASN 219.A O no hydrogen 3.056 N/A THR 176.A N THR 174.A OG1 no hydrogen 3.131 N/A THR 176.A OG1 THR 174.A OG1 no hydrogen 3.259 N/A LEU 179.A N THR 176.A O no hydrogen 3.104 N/A ALA 182.A N ILE 172.A O no hydrogen 2.872 N/A HIS 183.A NE2 HIS 197.A ND1 no hydrogen 2.825 N/A GLY 184.A N ILE 170.A O no hydrogen 2.990 N/A ILE 185.A N VAL 196.A O no hydrogen 2.816 N/A ALA 186.A N ASP 168.A O no hydrogen 2.847 N/A PHE 187.A N LEU 194.A O no hydrogen 3.046 N/A TYR 188.A N ASP 166.A OD1 no hydrogen 2.802 N/A TYR 188.A OH ILE 164.A O no hydrogen 2.773 N/A ALA 189.A N.A LYS 192.A O no hydrogen 2.957 N/A ALA 189.A N.B LYS 192.A O no hydrogen 2.949 N/A LYS 192.A N ALA 189.A O.A no hydrogen 2.670 N/A LYS 192.A N ALA 189.A O.B no hydrogen 3.152 N/A LYS 192.A NZ ASP 190.A O.B no hydrogen 3.115 N/A LEU 193.A N ALA 158.A O no hydrogen 2.882 N/A LEU 194.A N PHE 187.A O no hydrogen 2.769 N/A LEU 195.A N SER 208.A OG no hydrogen 2.969 N/A VAL 196.A N ILE 185.A O no hydrogen 2.849 N/A HIS 197.A N VAL 206.A O no hydrogen 2.984 N/A HIS 197.A ND1 HIS 183.A NE2 no hydrogen 2.825 N/A SER 199.A N LYS 204.A O no hydrogen 3.002 N/A THR 201.A OG1.B SER 199.A OG no hydrogen 3.189 N/A ASP 202.A N SER 199.A OG no hydrogen 2.983 N/A LYS 204.A N SER 199.A O no hydrogen 3.252 N/A VAL 205.A N VAL 16.A O no hydrogen 2.891 N/A VAL 206.A N HIS 197.A O no hydrogen 2.931 N/A SER 208.A N LEU 195.A O no hydrogen 2.853 N/A SER 208.A OG LEU 195.A O no hydrogen 3.556 N/A SER 208.A OG VAL 210.A O no hydrogen 2.765 N/A LEU 212.A N LEU 193.A O no hydrogen 2.819 N/A GLN 214.A N PRO 211.A O no hydrogen 2.893 N/A LYS 216.A N SER 213.A O no hydrogen 2.948 N/A LYS 216.A NZ GLN 214.A OE1 no hydrogen 3.047 N/A ASP 217.A N.A GLN 214.A O no hydrogen 2.898 N/A ASP 217.A N.B GLN 214.A O no hydrogen 2.960 N/A ASN 218.A N LEU 215.A O no hydrogen 3.157 N/A LYS 220.A N ASN 218.A OD1 no hydrogen 2.934 N/A TRP 221.A N ASN 218.A O no hydrogen 3.044 N/A THR 222.A N THR 173.A O no hydrogen 2.870 N/A THR 222.A OG1 THR 173.A OG1 no hydrogen 2.744 N/A ILE 224.A N LEU 151.A O no hydrogen 2.954 N/A ARG 225.A N ALA 171.A O no hydrogen 2.784 N/A ARG 225.A NH2 ASP 102.A OD2 no hydrogen 3.029 N/A VAL 226.A N THR 104.A OG1 no hydrogen 2.857 N/A LEU 227.A N ILE 169.A O no hydrogen 2.801 N/A ARG 228.A N GLN 101.A O no hydrogen 2.923 N/A ARG 228.A NE ASP 168.A OD1 no hydrogen 2.764 N/A ARG 228.A NH2 TRP 163.A O no hydrogen 2.879 N/A ARG 228.A NH2 ASP 168.A OD1 no hydrogen 3.480 N/A ARG 228.A NH2 ASP 168.A OD2 no hydrogen 2.830 N/A LYS 230.A NZ THR 51.A O no hydrogen 2.767 N/A