Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3nua_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 4.A N ASP 21.A OD1 no hydrogen 2.871 N/A LEU 6.A N ALA 19.A O no hydrogen 2.826 N/A GLU 7.A N GLU 7.A OE1 no hydrogen 2.790 N/A LEU 9.A N ILE 17.A O no hydrogen 2.746 N/A TYR 10.A N ILE 17.A O no hydrogen 3.279 N/A GLY 12.A N LYS 15.A O no hydrogen 2.786 N/A LYS 13.A NZ ASP 127.A OD2 no hydrogen 2.895 N/A LYS 15.A NZ ASP 193.A OD1 no hydrogen 2.767 N/A LYS 15.A NZ ASP 193.A OD2 no hydrogen 3.528 N/A LYS 15.A NZ GLU 194.A OE1 no hydrogen 2.795 N/A LYS 16.A N HIS 29.A O no hydrogen 2.862 N/A ILE 17.A N TYR 10.A O no hydrogen 2.800 N/A TYR 18.A N ILE 27.A O no hydrogen 2.793 N/A ALA 19.A N GLU 7.A O no hydrogen 2.805 N/A THR 20.A OG1 LYS 22.A O no hydrogen 3.022 N/A THR 20.A OG1 MET 25.A O.A no hydrogen 3.247 N/A THR 20.A OG1 MET 25.A O.B no hydrogen 2.924 N/A ASP 21.A N ASN 4.A O no hydrogen 3.107 N/A LYS 22.A N THR 20.A OG1 no hydrogen 3.010 N/A MET 25.A N.A LYS 22.A O no hydrogen 3.187 N/A MET 25.A N.B LYS 22.A O no hydrogen 3.199 N/A VAL 26.A N CYS 83.A O no hydrogen 2.834 N/A ILE 27.A N TYR 18.A O no hydrogen 2.880 N/A VAL 28.A N GLN 81.A O no hydrogen 2.850 N/A HIS 29.A N LYS 16.A O no hydrogen 2.833 N/A HIS 29.A ND1 ASP 80.A OD1 no hydrogen 2.673 N/A TYR 30.A N ARG 79.A O no hydrogen 2.823 N/A LYS 31.A N ALA 14.A O no hydrogen 2.937 N/A LYS 31.A NZ GLU 11.A OE2 no hydrogen 2.762 N/A LYS 31.A NZ GLY 12.A O no hydrogen 2.824 N/A LYS 31.A NZ ASP 33.A OD2 no hydrogen 2.791 N/A ALA 34.A N ALA 43.A O no hydrogen 2.827 N/A ALA 36.A N LYS 41.A O no hydrogen 2.886 N/A GLU 40.A N PHE 37.A O no hydrogen 3.052 N/A LYS 41.A N ALA 36.A O no hydrogen 3.070 N/A LYS 41.A NZ PHE 216.A O no hydrogen 3.075 N/A LYS 41.A NZ ARG 217.A O no hydrogen 2.978 N/A LYS 41.A NZ ASP 219.A OD1 no hydrogen 2.831 N/A ALA 43.A N ALA 34.A O no hydrogen 3.036 N/A GLN 44.A NE2 ASP 33.A OD1 no hydrogen 2.787 N/A ILE 45.A N ASP 32.A O no hydrogen 2.936 N/A SER 47.A N ASP 32.A OD2 no hydrogen 3.072 N/A SER 47.A OG GLU 46.A O.A no hydrogen 2.677 N/A SER 47.A OG GLU 46.A O.B no hydrogen 2.549 N/A LYS 48.A N ILE 45.A O no hydrogen 2.982 N/A LYS 48.A NZ ASP 33.A O no hydrogen 2.814 N/A LYS 48.A NZ ASP 198.A OD2 no hydrogen 2.767 N/A GLY 49.A N ASP 32.A OD1 no hydrogen 2.879 N/A LEU 51.A N.A SER 47.A O no hydrogen 3.070 N/A LEU 51.A N.B SER 47.A O no hydrogen 3.042 N/A ASN 52.A N LYS 48.A O no hydrogen 2.867 N/A ASN 53.A N GLY 49.A O no hydrogen 2.873 N/A ASN 53.A ND2 ASP 78.A O no hydrogen 2.987 N/A ASN 53.A ND2 ASP 80.A O no hydrogen 3.461 N/A GLU 54.A N.A VAL 50.A O no hydrogen 2.920 N/A GLU 54.A N.B VAL 50.A O no hydrogen 2.945 N/A ILE 55.A N LEU 51.A O.A no hydrogen 2.819 N/A ILE 55.A N LEU 51.A O.B no hydrogen 2.859 N/A THR 56.A N.A ASN 52.A O no hydrogen 2.855 N/A THR 56.A N.B ASN 52.A O no hydrogen 2.873 N/A THR 56.A OG1.A ASN 52.A O no hydrogen 2.900 N/A THR 56.A OG1.A ILE 195.A O no hydrogen 3.187 N/A SER 57.A N ASN 53.A O no hydrogen 2.914 N/A SER 57.A OG ASN 53.A O no hydrogen 2.822 N/A SER 57.A OG GLN 81.A OE1 no hydrogen 3.368 N/A LEU 58.A N GLU 54.A O.A no hydrogen 3.019 N/A LEU 58.A N GLU 54.A O.B no hydrogen 2.839 N/A ILE 59.A N ILE 55.A O no hydrogen 2.941 N/A PHE 60.A N THR 56.A O.A no hydrogen 2.829 N/A PHE 60.A N THR 56.A O.B no hydrogen 2.847 N/A GLU 61.A N.A SER 57.A O no hydrogen 2.964 N/A GLU 61.A N.B SER 57.A O no hydrogen 2.947 N/A MET 62.A N LEU 58.A O no hydrogen 3.080 N/A LEU 63.A N ILE 59.A O no hydrogen 2.876 N/A ASN 64.A N PHE 60.A O no hydrogen 2.802 N/A ASN 64.A ND2 PHE 72.A O no hydrogen 3.122 N/A LYS 65.A N.A GLU 61.A O.A no hydrogen 2.978 N/A LYS 65.A N.A GLU 61.A O.B no hydrogen 3.110 N/A LYS 65.A N.B GLU 61.A O.A no hydrogen 2.991 N/A LYS 65.A N.B GLU 61.A O.B no hydrogen 3.123 N/A LYS 65.A NZ.B GLU 61.A OE2.A no hydrogen 2.663 N/A GLU 66.A N MET 62.A O no hydrogen 3.028 N/A GLU 66.A N LEU 63.A O no hydrogen 3.119 N/A GLY 67.A N ASN 64.A O no hydrogen 3.005 N/A ILE 68.A N LEU 63.A O no hydrogen 2.993 N/A THR 70.A OG1 ASN 64.A OD1 no hydrogen 2.682 N/A HIS 71.A N LEU 191.A O no hydrogen 2.818 N/A PHE 72.A N THR 70.A OG1 no hydrogen 2.965 N/A VAL 73.A N LEU 82.A O no hydrogen 2.962 N/A GLU 74.A N LEU 82.A O no hydrogen 3.244 N/A LYS 75.A NZ.A ASN 77.A O no hydrogen 2.965 N/A LEU 76.A N ASP 80.A O no hydrogen 2.827 N/A ASN 77.A N ASP 80.A O no hydrogen 3.326 N/A ASN 77.A ND2 ASP 80.A OD2 no hydrogen 2.962 N/A ARG 79.A N ASN 77.A OD1 no hydrogen 3.002 N/A ARG 79.A NH1 ASP 32.A OD1 no hydrogen 3.193 N/A ARG 79.A NH1 ASP 32.A OD2 no hydrogen 3.010 N/A ARG 79.A NH2 TYR 30.A O no hydrogen 2.953 N/A ARG 79.A NH2 ASP 32.A OD1 no hydrogen 2.836 N/A ASP 80.A N ASN 77.A OD1 no hydrogen 2.888 N/A GLN 81.A N VAL 28.A O no hydrogen 2.959 N/A LEU 82.A N GLU 74.A O no hydrogen 2.778 N/A CYS 83.A N VAL 26.A O no hydrogen 2.903 N/A LYS 84.A N HIS 71.A O no hydrogen 2.776 N/A LYS 85.A N ASP 24.A O no hydrogen 2.860 N/A GLU 87.A N ARG 184.A O no hydrogen 2.994 N/A VAL 89.A N PHE 182.A O no hydrogen 2.834 N/A LEU 91.A N VAL 89.A O no hydrogen 2.731 N/A GLU 92.A N SER 123.A O.A no hydrogen 2.770 N/A GLU 92.A N SER 123.A O.B no hydrogen 2.803 N/A VAL 93.A N LEU 180.A O no hydrogen 2.899 N/A ILE 94.A N GLU 121.A O no hydrogen 2.814 N/A VAL 95.A N PHE 178.A O no hydrogen 2.904 N/A ARG 96.A N VAL 119.A O no hydrogen 2.863 N/A ARG 96.A NE GLU 121.A OE1 no hydrogen 2.857 N/A ARG 96.A NH2 GLU 121.A OE2 no hydrogen 2.858 N/A ASN 97.A N ILE 176.A O no hydrogen 2.849 N/A ASN 97.A ND2 ASN 161.A OD1 no hydrogen 3.017 N/A VAL 98.A N ILE 176.A O no hydrogen 3.222 N/A ALA 99.A N TYR 113.A O no hydrogen 3.021 N/A GLY 101.A N GLU 111.A OE2 no hydrogen 2.886 N/A ALA 104.A N ALA 100.A O no hydrogen 3.269 N/A LYS 105.A N GLY 101.A O no hydrogen 2.982 N/A ARG 106.A N SER 102.A O no hydrogen 2.982 N/A LEU 107.A N MET 103.A O no hydrogen 3.066 N/A GLY 108.A N LYS 105.A O no hydrogen 3.378 N/A LEU 109.A N ALA 104.A O no hydrogen 2.847 N/A GLY 112.A N ALA 99.A O no hydrogen 2.825 N/A TYR 113.A N GLU 110.A O.A no hydrogen 2.993 N/A TYR 113.A N GLU 110.A O.B no hydrogen 3.116 N/A VAL 119.A N ARG 96.A O no hydrogen 2.956 N/A GLU 121.A N ILE 94.A O no hydrogen 2.811 N/A SER 123.A N.A GLU 92.A O no hydrogen 2.869 N/A SER 123.A N.B GLU 92.A O no hydrogen 2.911 N/A SER 123.A OG.A ASP 131.A O no hydrogen 3.153 N/A TYR 124.A N PRO 132.A O no hydrogen 2.889 N/A LYS 125.A N PRO 90.A O no hydrogen 2.925 N/A LYS 125.A NZ GLU 92.A OE1 no hydrogen 3.300 N/A LYS 125.A NZ GLU 181.A OE2 no hydrogen 3.106 N/A ASP 126.A N TYR 124.A O no hydrogen 2.924 N/A ASP 126.A N ASP 131.A OD1 no hydrogen 3.129 N/A SER 128.A OG ASP 126.A OD1 no hydrogen 2.646 N/A LEU 129.A N ASP 126.A O no hydrogen 3.043 N/A LEU 129.A N ASP 126.A OD1 no hydrogen 3.242 N/A GLY 130.A N ASP 127.A O no hydrogen 3.008 N/A ASP 131.A N ASP 126.A O no hydrogen 3.106 N/A ILE 134.A N LEU 122.A O no hydrogen 2.993 N/A ASN 135.A N HIS 138.A ND1 no hydrogen 2.952 N/A HIS 138.A N ASN 135.A OD1 no hydrogen 2.933 N/A ALA 139.A N ASN 135.A O no hydrogen 3.029 N/A VAL 140.A N ASP 136.A O no hydrogen 2.998 N/A GLY 141.A N TYR 137.A O no hydrogen 2.736 N/A ILE 142.A N HIS 138.A O no hydrogen 2.979 N/A GLY 143.A N VAL 140.A O no hydrogen 2.996 N/A ALA 144.A N ALA 139.A O no hydrogen 2.967 N/A THR 145.A OG1 THR 146.A O no hydrogen 3.452 N/A THR 145.A OG1 GLU 149.A OE1 no hydrogen 2.668 N/A GLU 149.A N THR 146.A OG1 no hydrogen 2.980 N/A LEU 150.A N THR 146.A O no hydrogen 2.941 N/A ASN 151.A N.A PHE 147.A O no hydrogen 2.906 N/A ASN 151.A N.B PHE 147.A O no hydrogen 2.943 N/A ASN 151.A ND2.B GLU 155.A OE2.B no hydrogen 3.013 N/A LYS 152.A N.A GLU 148.A O.A no hydrogen 3.273 N/A LYS 152.A N.A GLU 148.A O.B no hydrogen 3.272 N/A LYS 152.A N.B GLU 148.A O.A no hydrogen 3.201 N/A LYS 152.A N.B GLU 148.A O.B no hydrogen 3.204 N/A LYS 152.A NZ.A GLU 155.A OE2.A no hydrogen 3.151 N/A ILE 153.A N GLU 149.A O no hydrogen 2.924 N/A TYR 154.A N LEU 150.A O no hydrogen 2.873 N/A TYR 154.A OH ASP 136.A OD1 no hydrogen 2.640 N/A GLU 155.A N.A ASN 151.A O.A no hydrogen 3.016 N/A GLU 155.A N.A ASN 151.A O.B no hydrogen 3.160 N/A GLU 155.A N.B ASN 151.A O.A no hydrogen 2.995 N/A GLU 155.A N.B ASN 151.A O.B no hydrogen 3.140 N/A ILE 156.A N LYS 152.A O.A no hydrogen 2.986 N/A ILE 156.A N LYS 152.A O.B no hydrogen 3.068 N/A THR 157.A N ILE 153.A O no hydrogen 2.855 N/A THR 157.A OG1 ILE 153.A O no hydrogen 2.765 N/A ALA 158.A N TYR 154.A O no hydrogen 2.916 N/A LYS 159.A N.A GLU 155.A O.A no hydrogen 3.284 N/A LYS 159.A N.A GLU 155.A O.B no hydrogen 3.282 N/A LYS 159.A N.A ILE 156.A O no hydrogen 3.118 N/A LYS 159.A N.B GLU 155.A O.A no hydrogen 3.248 N/A LYS 159.A N.B GLU 155.A O.B no hydrogen 3.245 N/A VAL 160.A N ILE 156.A O no hydrogen 2.863 N/A ASN 161.A N THR 157.A O no hydrogen 2.923 N/A ASN 161.A ND2 ASN 97.A OD1 no hydrogen 2.968 N/A GLU 162.A N ALA 158.A O no hydrogen 3.060 N/A ILE 163.A N LYS 159.A O.A no hydrogen 3.084 N/A ILE 163.A N LYS 159.A O.B no hydrogen 3.038 N/A LEU 164.A N VAL 160.A O no hydrogen 2.835 N/A LYS 165.A N.A ASN 161.A O no hydrogen 2.795 N/A LYS 165.A N.B ASN 161.A O no hydrogen 2.804 N/A LYS 165.A NZ.A GLU 162.A OE2 no hydrogen 2.936 N/A GLU 166.A N.A GLU 162.A O no hydrogen 3.355 N/A GLU 166.A N.B GLU 162.A O no hydrogen 3.261 N/A ALA 167.A N ILE 163.A O no hydrogen 3.037 N/A PHE 168.A N LEU 164.A O no hydrogen 2.961 N/A LYS 169.A N LYS 165.A O.A no hydrogen 2.937 N/A LYS 169.A N LYS 165.A O.B no hydrogen 2.845 N/A LYS 169.A NZ ASN 174.A OD1 no hydrogen 2.673 N/A LYS 170.A N.A GLU 166.A O.A no hydrogen 3.108 N/A LYS 170.A N.A GLU 166.A O.B no hydrogen 3.039 N/A LYS 170.A N.B GLU 166.A O.A no hydrogen 3.113 N/A LYS 170.A N.B GLU 166.A O.B no hydrogen 3.044 N/A GLN 171.A N PHE 168.A O no hydrogen 2.922 N/A ASN 172.A N LYS 169.A O no hydrogen 2.910 N/A ASN 172.A ND2 ASP 204.A OD1 no hydrogen 3.342 N/A ASN 172.A ND2 THR 206.A OG1 no hydrogen 2.998 N/A ILE 173.A N PHE 168.A O no hydrogen 2.947 N/A ASN 174.A N TRP 203.A O no hydrogen 2.806 N/A ILE 176.A N ARG 201.A O no hydrogen 2.921 N/A PHE 178.A N VAL 95.A O no hydrogen 2.954 N/A LYS 179.A N THR 199.A O no hydrogen 2.900 N/A LYS 179.A NZ GLU 181.A OE2 no hydrogen 3.018 N/A LYS 179.A NZ ASP 193.A OD2 no hydrogen 3.233 N/A LEU 180.A N VAL 93.A O no hydrogen 2.752 N/A GLY 183.A N LEU 190.A O no hydrogen 2.866 N/A ARG 184.A N GLU 87.A O no hydrogen 2.831 N/A ARG 184.A NE GLU 149.A OE2 no hydrogen 2.827 N/A ARG 184.A NH1 ALA 144.A O no hydrogen 3.328 N/A ARG 184.A NH1 GLU 149.A OE1 no hydrogen 2.810 N/A ARG 184.A NH1 GLU 149.A OE2 no hydrogen 3.519 N/A ARG 184.A NH2 GLU 87.A OE2 no hydrogen 2.971 N/A TYR 185.A N GLU 188.A O no hydrogen 2.907 N/A GLU 188.A N TYR 185.A O no hydrogen 2.944 N/A LEU 190.A N GLY 183.A O no hydrogen 2.814 N/A LEU 191.A N LYS 69.A O.A no hydrogen 2.987 N/A LEU 191.A N LYS 69.A O.B no hydrogen 2.967 N/A ALA 192.A N GLU 181.A O no hydrogen 2.855 N/A ILE 195.A N THR 56.A OG1.B no hydrogen 3.021 N/A SER 196.A N THR 199.A OG1 no hydrogen 3.009 N/A SER 196.A OG GLU 194.A OE2 no hydrogen 2.581 N/A ASP 198.A N SER 196.A OG no hydrogen 2.987 N/A THR 199.A N SER 196.A O no hydrogen 2.882 N/A THR 199.A OG1 SER 196.A O no hydrogen 3.242 N/A CYS 200.A SG SER 196.A O no hydrogen 3.409 N/A ARG 201.A N ASP 177.A O no hydrogen 2.858 N/A ARG 201.A NE ASP 214.A OD2 no hydrogen 2.803 N/A ARG 201.A NH1 ASP 177.A OD2 no hydrogen 2.892 N/A ARG 201.A NH2 ASP 214.A OD1 no hydrogen 3.122 N/A PHE 202.A N ASP 212.A OD2 no hydrogen 2.829 N/A TRP 203.A N ASN 174.A O no hydrogen 3.115 N/A ASP 204.A N GLU 209.A O no hydrogen 2.851 N/A ALA 205.A N ASN 172.A O no hydrogen 2.869 N/A THR 206.A N ASP 204.A OD2 no hydrogen 2.840 N/A THR 207.A N ASP 204.A OD2 no hydrogen 2.890 N/A THR 207.A OG1 ASP 204.A OD2 no hydrogen 3.300 N/A GLY 208.A N ASP 204.A O no hydrogen 2.904 N/A GLU 209.A N THR 207.A OG1 no hydrogen 3.043 N/A MET 211.A N.A PHE 202.A O no hydrogen 2.928 N/A MET 211.A N.B PHE 202.A O no hydrogen 2.966 N/A LYS 213.A N PRO 197.A O no hydrogen 2.942 N/A LYS 213.A NZ THR 35.A O no hydrogen 2.704 N/A ASP 214.A N ASP 212.A OD1 no hydrogen 2.768 N/A ARG 215.A N ASP 212.A O no hydrogen 3.010 N/A ARG 215.A NE GLY 221.A O no hydrogen 2.810 N/A ARG 215.A NH1 GLY 221.A O no hydrogen 3.184 N/A ARG 215.A NH2 LYS 210.A O no hydrogen 2.935 N/A ARG 217.A N LYS 213.A O no hydrogen 2.885 N/A ARG 217.A NH2 ASP 214.A OD1 no hydrogen 2.842 N/A ARG 218.A N ASP 214.A O no hydrogen 2.894 N/A ARG 218.A NH1 GLU 111.A OE1 no hydrogen 2.825 N/A ARG 218.A NH2 GLU 111.A OE1 no hydrogen 3.561 N/A ARG 218.A NH2 GLU 111.A OE2 no hydrogen 2.914 N/A ASP 219.A N PHE 216.A O no hydrogen 3.301 N/A MET 220.A N ARG 215.A O no hydrogen 2.877 N/A ASN 225.A ND2.B ASN 222.A OD1.A no hydrogen 1.882 N/A ASN 225.A ND2.B ASN 222.A OD1.B no hydrogen 3.557 N/A GLY 226.A N VAL 223.A O no hydrogen 3.023 N/A TYR 227.A OH ASP 198.A OD1 no hydrogen 2.655 N/A ARG 228.A N ILE 224.A O no hydrogen 2.901 N/A GLU 229.A N ASN 225.A O.A no hydrogen 2.867 N/A GLU 229.A N ASN 225.A O.B no hydrogen 3.029 N/A VAL 230.A N GLY 226.A O no hydrogen 3.113 N/A LEU 231.A N TYR 227.A O no hydrogen 3.117 N/A ASN 232.A N.A ARG 228.A O no hydrogen 2.839 N/A ASN 232.A N.B ARG 228.A O no hydrogen 2.814 N/A ARG 233.A N GLU 229.A O no hydrogen 2.921 N/A ARG 233.A NE GLU 229.A OE2 no hydrogen 2.758 N/A ARG 233.A NH1 GLN 171.A O no hydrogen 3.013 N/A ARG 233.A NH1 ASN 172.A O no hydrogen 3.199 N/A ARG 233.A NH1 ASP 204.A OD1 no hydrogen 2.925 N/A ARG 233.A NH2 ASP 204.A OD1 no hydrogen 2.942 N/A ARG 233.A NH2 GLU 229.A OE2 no hydrogen 3.513 N/A LEU 234.A N VAL 230.A O no hydrogen 2.913 N/A ARG 235.A N LEU 231.A O no hydrogen 3.038 N/A ARG 235.A N ASN 232.A O.A no hydrogen 3.184 N/A ARG 235.A N ASN 232.A O.B no hydrogen 3.209 N/A ASN 236.A N ARG 233.A O no hydrogen 3.086 N/A ASN 236.A ND2 GLN 171.A OE1 no hydrogen 3.282 N/A