Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3fiu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 7.A N SER 3.A O no hydrogen 2.914 N/A SER 8.A N PRO 4.A O no hydrogen 2.913 N/A GLN 9.A N LYS 5.A O no hydrogen 3.219 N/A GLN 9.A NE2 ASN 13.A OD1 no hydrogen 2.938 N/A LYS 10.A N GLU 6.A O no hydrogen 3.056 N/A LEU 11.A N TYR 7.A O no hydrogen 2.878 N/A VAL 12.A N SER 8.A O no hydrogen 2.951 N/A ASN 13.A N GLN 9.A O no hydrogen 2.991 N/A TRP 14.A N LYS 10.A O no hydrogen 2.928 N/A LEU 15.A N LEU 11.A O no hydrogen 2.728 N/A SER 16.A N VAL 12.A O no hydrogen 2.935 N/A ASP 17.A N ASN 13.A O no hydrogen 2.875 N/A SER 18.A N TRP 14.A O no hydrogen 2.773 N/A SER 18.A OG TRP 14.A O no hydrogen 2.826 N/A CYS 19.A N LEU 15.A O no hydrogen 2.923 N/A CYS 19.A SG ALA 24.A O no hydrogen 3.730 N/A CYS 19.A SG GLY 26.A O no hydrogen 3.586 N/A MET 20.A N SER 16.A O no hydrogen 2.930 N/A ASN 21.A N ASP 17.A O no hydrogen 2.871 N/A TYR 22.A N CYS 19.A O no hydrogen 3.105 N/A ALA 24.A N CYS 19.A O no hydrogen 2.948 N/A GLU 25.A N ASN 125.A O no hydrogen 2.832 N/A PHE 27.A N PRO 50.A O no hydrogen 2.920 N/A VAL 28.A N ILE 127.A O no hydrogen 3.025 N/A ILE 29.A N THR 52.A O no hydrogen 3.041 N/A LEU 31.A N LEU 54.A O no hydrogen 2.888 N/A SER 32.A N SER 37.A OG no hydrogen 3.309 N/A SER 32.A OG SER 37.A OG no hydrogen 3.159 N/A GLY 34.A N SER 32.A OG no hydrogen 3.008 N/A SER 37.A OG SER 32.A OG no hydrogen 3.159 N/A SER 37.A OG GLY 34.A O no hydrogen 3.568 N/A ALA 38.A N GLY 34.A O no hydrogen 3.186 N/A VAL 39.A N ILE 35.A O no hydrogen 2.888 N/A ALA 40.A N ASP 36.A O no hydrogen 3.008 N/A ALA 41.A N SER 37.A O no hydrogen 2.893 N/A SER 42.A N ALA 38.A O no hydrogen 3.005 N/A SER 42.A OG ALA 38.A O no hydrogen 2.864 N/A LEU 43.A N VAL 39.A O no hydrogen 2.954 N/A ALA 44.A N ALA 40.A O no hydrogen 3.019 N/A VAL 45.A N ALA 41.A O no hydrogen 2.914 N/A LYS 46.A N SER 42.A O no hydrogen 3.160 N/A THR 47.A N ALA 44.A O no hydrogen 3.039 N/A THR 47.A OG1 ALA 44.A O no hydrogen 2.666 N/A GLY 48.A N VAL 45.A O no hydrogen 3.087 N/A LEU 49.A N THR 47.A OG1 no hydrogen 2.984 N/A THR 51.A OG1 LEU 49.A O no hydrogen 2.996 N/A THR 52.A N PHE 27.A O no hydrogen 3.012 N/A THR 52.A OG1 TYR 120.A OH no hydrogen 2.709 N/A ALA 53.A N GLU 79.A O no hydrogen 2.993 N/A LEU 54.A N ILE 29.A O no hydrogen 2.903 N/A ILE 55.A N TYR 81.A O no hydrogen 2.750 N/A ASP 59.A N GLN 86.A OE1 no hydrogen 2.780 N/A ASN 60.A N SER 58.A OG no hydrogen 3.309 N/A ASN 60.A ND2 SER 58.A OG no hydrogen 3.389 N/A ASN 61.A N SER 58.A O no hydrogen 3.124 N/A ASN 61.A ND2 SER 58.A O no hydrogen 3.580 N/A GLN 64.A NE2 ASP 68.A OD2 no hydrogen 2.728 N/A ASP 65.A N GLN 62.A O no hydrogen 2.910 N/A GLN 67.A N HIS 63.A O no hydrogen 2.992 N/A GLN 67.A NE2.A GLN 64.A OE1 no hydrogen 3.090 N/A ASP 68.A N GLN 64.A O no hydrogen 2.876 N/A ALA 69.A N ASP 65.A O no hydrogen 3.127 N/A LEU 70.A N MET 66.A O no hydrogen 2.948 N/A GLU 71.A N GLN 67.A O no hydrogen 2.815 N/A LEU 72.A N ASP 68.A O no hydrogen 3.029 N/A ILE 73.A N ALA 69.A O no hydrogen 2.957 N/A GLU 74.A N LEU 70.A O no hydrogen 2.913 N/A MET 75.A N GLU 71.A O no hydrogen 3.078 N/A LEU 76.A N LEU 72.A O no hydrogen 2.913 N/A ASN 77.A N ILE 73.A O no hydrogen 2.768 N/A ASN 77.A ND2 MET 75.A O no hydrogen 3.391 N/A ILE 78.A N ILE 73.A O no hydrogen 3.447 N/A HIS 80.A ND1 ILE 78.A O no hydrogen 2.937 N/A TYR 81.A N ALA 53.A O no hydrogen 3.048 N/A TYR 81.A OH GLU 79.A OE2 no hydrogen 2.586 N/A ILE 83.A N ILE 55.A O no hydrogen 2.767 N/A ILE 85.A N PRO 57.A O no hydrogen 2.897 N/A GLN 86.A N SER 84.A OG no hydrogen 3.118 N/A GLN 86.A NE2 GLU 90.A OE2.B no hydrogen 3.085 N/A TYR 89.A N ILE 85.A O no hydrogen 2.813 N/A GLU 90.A N GLN 86.A O no hydrogen 2.818 N/A ALA 91.A N PRO 87.A O no hydrogen 3.081 N/A PHE 92.A N ALA 88.A O no hydrogen 2.921 N/A LEU 93.A N TYR 89.A O no hydrogen 2.733 N/A ALA 94.A N GLU 90.A O no hydrogen 2.901 N/A SER 95.A N ALA 91.A O no hydrogen 3.099 N/A SER 95.A OG ALA 91.A O no hydrogen 3.302 N/A SER 95.A OG PHE 92.A O no hydrogen 2.604 N/A THR 96.A N PHE 92.A O no hydrogen 3.243 N/A THR 96.A N LEU 93.A O no hydrogen 3.010 N/A THR 96.A OG1 LEU 93.A O no hydrogen 2.759 N/A THR 96.A OG1 THR 100.A OG1 no hydrogen 3.356 N/A GLN 97.A N ALA 94.A O no hydrogen 3.116 N/A PHE 99.A N THR 96.A O no hydrogen 3.081 N/A THR 100.A N GLN 97.A O no hydrogen 3.311 N/A THR 100.A OG1 THR 96.A OG1 no hydrogen 3.356 N/A LYS 105.A N GLN 101.A O no hydrogen 2.933 N/A LYS 105.A NZ ASN 60.A OD1 no hydrogen 2.658 N/A GLY 106.A N LEU 102.A O no hydrogen 2.844 N/A ASN 107.A N VAL 103.A O no hydrogen 2.896 N/A ALA 108.A N ILE 104.A O no hydrogen 2.913 N/A GLN 109.A N LYS 105.A O no hydrogen 3.002 N/A ALA 110.A N GLY 106.A O no hydrogen 3.040 N/A ARG 111.A N ASN 107.A O no hydrogen 3.100 N/A ARG 111.A NE LYS 144.A O no hydrogen 3.054 N/A ARG 111.A NH2 LYS 144.A O no hydrogen 3.041 N/A LEU 112.A N ALA 108.A O no hydrogen 2.902 N/A ARG 113.A N GLN 109.A O no hydrogen 3.036 N/A ARG 113.A NE LEU 56.A O no hydrogen 2.729 N/A ARG 113.A NH2 LEU 56.A O no hydrogen 3.045 N/A MET 114.A N ALA 110.A O no hydrogen 3.104 N/A MET 115.A N ARG 111.A O no hydrogen 3.036 N/A TYR 116.A N LEU 112.A O no hydrogen 2.980 N/A LEU 117.A N ARG 113.A O no hydrogen 3.013 N/A TYR 118.A N MET 114.A O no hydrogen 2.960 N/A TYR 118.A OH ASP 151.A OD1 no hydrogen 2.602 N/A ALA 119.A N MET 115.A O no hydrogen 2.829 N/A TYR 120.A N TYR 116.A O no hydrogen 2.986 N/A TYR 120.A OH THR 52.A OG1 no hydrogen 2.709 N/A TYR 120.A OH GLU 79.A OE2 no hydrogen 2.815 N/A ALA 121.A N LEU 117.A O no hydrogen 2.888 N/A GLN 122.A N TYR 118.A O no hydrogen 3.022 N/A GLN 123.A N ALA 119.A O no hydrogen 3.181 N/A TYR 124.A N TYR 120.A O no hydrogen 2.952 N/A ASN 125.A ND2.B GLU 25.A OE2 no hydrogen 2.867 N/A ARG 126.A N ALA 121.A O no hydrogen 2.877 N/A ARG 126.A NH1 PHE 27.A O no hydrogen 2.915 N/A ARG 126.A NH1 THR 52.A OG1 no hydrogen 2.967 N/A ILE 127.A N GLY 26.A O no hydrogen 2.753 N/A VAL 128.A N ASP 151.A OD2 no hydrogen 2.902 N/A ILE 129.A N VAL 28.A O no hydrogen 3.012 N/A GLY 130.A N ILE 152.A O no hydrogen 2.786 N/A ASN 133.A N GLU 136.A OE2 no hydrogen 3.006 N/A ASN 133.A ND2 ASP 36.A OD1 no hydrogen 2.966 N/A ALA 134.A N LEU 158.A O no hydrogen 2.750 N/A CYS 135.A SG ASP 203.A OD1 no hydrogen 2.782 N/A GLU 136.A N ASN 133.A OD1 no hydrogen 2.922 N/A TRP 137.A N ASN 133.A O no hydrogen 2.972 N/A TYR 138.A N ALA 134.A O no hydrogen 2.947 N/A MET 139.A N CYS 135.A O no hydrogen 2.880 N/A GLY 140.A N TRP 137.A O no hydrogen 2.988 N/A TYR 141.A N GLU 136.A O no hydrogen 2.866 N/A THR 143.A N ASP 147.A OD2 no hydrogen 2.845 N/A THR 143.A OG1 ASN 107.A OD1 no hydrogen 2.903 N/A THR 143.A OG1 ASP 147.A OD2 no hydrogen 3.557 N/A GLY 146.A N THR 143.A O no hydrogen 2.951 N/A GLY 148.A N THR 143.A O no hydrogen 3.077 N/A ALA 149.A N GLY 146.A O no hydrogen 3.029 N/A ASP 151.A N VAL 128.A O no hydrogen 2.884 N/A ILE 152.A N VAL 128.A O no hydrogen 3.352 N/A LEU 158.A N LEU 155.A O no hydrogen 2.875 N/A LYS 159.A N GLN 162.A OE1 no hydrogen 3.069 N/A LYS 159.A NZ ASP 207.A OD1 no hydrogen 3.529 N/A LYS 159.A NZ ASP 207.A OD2 no hydrogen 2.716 N/A LYS 160.A N ASP 203.A OD1 no hydrogen 2.976 N/A LYS 160.A NZ ASP 36.A OD1 no hydrogen 2.804 N/A SER 161.A N ASP 203.A OD2 no hydrogen 3.020 N/A SER 161.A OG ASP 203.A OD2 no hydrogen 3.347 N/A VAL 163.A N LYS 159.A O no hydrogen 2.997 N/A PHE 164.A N LYS 160.A O no hydrogen 2.956 N/A GLU 165.A N SER 161.A O no hydrogen 2.941 N/A LEU 166.A N GLN 162.A O no hydrogen 3.006 N/A GLY 167.A N VAL 163.A O no hydrogen 2.877 N/A LYS 168.A N PHE 164.A O no hydrogen 2.922 N/A TYR 169.A N GLU 165.A O no hydrogen 3.034 N/A LEU 170.A N LEU 166.A O no hydrogen 2.803 N/A LEU 170.A N GLY 167.A O no hydrogen 3.222 N/A ASP 171.A N LYS 168.A O no hydrogen 3.267 N/A VAL 172.A N GLY 167.A O no hydrogen 3.071 N/A LYS 174.A NZ ASP 178.A OD2 no hydrogen 2.892 N/A ASN 175.A ND2 ASP 68.A OD1 no hydrogen 2.689 N/A ILE 176.A N PRO 173.A O no hydrogen 2.901 N/A LEU 177.A N PRO 173.A O no hydrogen 3.201 N/A ASP 178.A N LYS 174.A O no hydrogen 2.922 N/A LYS 179.A N ASN 175.A O no hydrogen 2.986 N/A LYS 179.A NZ GLY 33.A O no hydrogen 2.825 N/A LYS 179.A NZ ASP 65.A OD1 no hydrogen 2.714 N/A LYS 179.A NZ ASP 68.A OD1 no hydrogen 2.705 N/A SER 182.A OG GLN 189.A O no hydrogen 2.743 N/A GLY 184.A N SER 182.A OG no hydrogen 3.035 N/A LEU 185.A N GLN 189.A OE1 no hydrogen 2.892 N/A GLN 187.A NE2 GLN 62.A OE1 no hydrogen 3.349 N/A GLN 189.A N TRP 186.A O no hydrogen 2.990 N/A GLN 189.A NE2 GLU 194.A OE1 no hydrogen 2.757 N/A ASP 191.A N PRO 181.A O no hydrogen 2.827 N/A ASP 193.A N THR 190.A OG1 no hydrogen 3.211 N/A GLU 194.A N THR 190.A O no hydrogen 2.992 N/A MET 195.A N ASP 191.A O no hydrogen 2.826 N/A GLY 196.A N GLU 192.A O no hydrogen 2.870 N/A VAL 197.A N GLU 192.A O no hydrogen 3.324 N/A THR 198.A N GLU 201.A OE1 no hydrogen 3.013 N/A THR 198.A OG1 GLU 201.A OE1 no hydrogen 3.060 N/A TYR 199.A N GLU 192.A OE2 no hydrogen 2.787 N/A TYR 199.A OH ASP 191.A OD2 no hydrogen 2.470 N/A GLN 200.A NE2 ASP 204.A OD2 no hydrogen 3.014 N/A GLU 201.A N THR 198.A OG1 no hydrogen 3.078 N/A ILE 202.A N THR 198.A O no hydrogen 2.994 N/A ASP 203.A N TYR 199.A O no hydrogen 2.790 N/A ASP 204.A N GLN 200.A O no hydrogen 2.838 N/A PHE 205.A N GLU 201.A O no hydrogen 2.964 N/A LEU 206.A N ILE 202.A O no hydrogen 2.950 N/A ASP 207.A N ASP 203.A O no hydrogen 2.996 N/A GLY 208.A N PHE 205.A O no hydrogen 2.854 N/A LYS 209.A N ASP 204.A O no hydrogen 2.892 N/A LYS 209.A NZ ASP 207.A OD2 no hydrogen 3.329 N/A ALA 215.A N SER 212.A OG no hydrogen 3.018 N/A LEU 216.A N SER 212.A O no hydrogen 2.733 N/A GLU 217.A N ALA 213.A O no hydrogen 2.931 N/A ARG 218.A N LYS 214.A O no hydrogen 3.125 N/A ARG 218.A NH1 GLU 217.A OE1 no hydrogen 3.272 N/A ARG 218.A NH1 GLU 217.A OE2 no hydrogen 3.020 N/A ILE 219.A N ALA 215.A O no hydrogen 2.894 N/A ASN 220.A N LEU 216.A O no hydrogen 3.146 N/A PHE 221.A N GLU 217.A O no hydrogen 3.134 N/A TRP 222.A N ARG 218.A O no hydrogen 3.152 N/A HIS 223.A N ILE 219.A O no hydrogen 3.012 N/A HIS 223.A ND1 TYR 138.A O no hydrogen 2.696 N/A ASN 224.A N ASN 220.A O no hydrogen 2.848 N/A ARG 225.A N PHE 221.A O no hydrogen 3.276 N/A SER 226.A N HIS 223.A O no hydrogen 3.326 N/A SER 226.A OG TRP 222.A O no hydrogen 2.923 N/A SER 226.A OG HIS 223.A O no hydrogen 3.200 N/A LYS 229.A N SER 226.A O no hydrogen 3.182 N/A LYS 229.A NZ GLY 140.A O no hydrogen 2.955 N/A LYS 229.A NZ PHE 142.A O no hydrogen 2.816 N/A ARG 230.A NH1 TRP 137.A O no hydrogen 3.084 N/A ARG 230.A NH1 SER 226.A OG no hydrogen 2.843 N/A ARG 230.A NH2 HIS 223.A O no hydrogen 3.039 N/A LYS 231.A N HIS 228.A O no hydrogen 3.382 N/A