Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dfu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A NE ALA 2.A O no hydrogen 3.342 N/A ARG 4.A NH1 VAL 25.A O no hydrogen 2.873 N/A ARG 4.A NH1 GLU 117.A OE1 no hydrogen 3.451 N/A ARG 4.A NH1 GLU 117.A OE2 no hydrogen 3.480 N/A ARG 4.A NH2 ALA 2.A O no hydrogen 3.075 N/A ARG 4.A NH2 GLU 117.A OE1 no hydrogen 3.175 N/A LEU 5.A N HIS 27.A ND1 no hydrogen 2.954 N/A ARG 6.A N GLU 42.A OE1 no hydrogen 2.902 N/A VAL 7.A N TYR 28.A O no hydrogen 2.693 N/A GLY 8.A N LEU 43.A O no hydrogen 2.920 N/A ILE 9.A N THR 30.A O no hydrogen 2.904 N/A PHE 10.A N VAL 45.A O no hydrogen 2.844 N/A GLY 13.A N ASP 11.A OD1 no hydrogen 3.117 N/A SER 14.A N ASP 12.A OD1 no hydrogen 3.004 N/A SER 14.A OG ASP 12.A OD1 no hydrogen 2.518 N/A SER 15.A OG ASP 47.A OD1 no hydrogen 2.694 N/A VAL 17.A N SER 15.A OG no hydrogen 3.049 N/A LYS 21.A N ASN 18.A O no hydrogen 3.014 N/A LYS 21.A NZ VAL 17.A O no hydrogen 2.602 N/A ASP 23.A N ALA 19.A O no hydrogen 2.922 N/A SER 24.A N GLU 20.A O no hydrogen 2.861 N/A SER 24.A OG LYS 21.A O no hydrogen 2.578 N/A VAL 25.A N LEU 22.A O no hydrogen 3.350 N/A GLY 26.A N ASP 23.A O no hydrogen 3.185 N/A HIS 27.A N LEU 22.A O no hydrogen 3.321 N/A HIS 27.A NE2 GLU 117.A OE2 no hydrogen 2.447 N/A TYR 28.A N LEU 5.A O no hydrogen 2.881 N/A THR 30.A N VAL 7.A O no hydrogen 2.890 N/A LEU 32.A N ILE 9.A O no hydrogen 2.784 N/A GLU 36.A N GLU 36.A OE1 no hydrogen 2.745 N/A ASP 37.A N ALA 34.A O no hydrogen 2.984 N/A ILE 38.A N PRO 35.A O no hydrogen 3.430 N/A PHE 41.A N ILE 38.A O no hydrogen 2.926 N/A GLU 42.A N ARG 6.A O no hydrogen 2.902 N/A LEU 43.A N ARG 6.A O no hydrogen 3.176 N/A VAL 45.A N GLY 8.A O no hydrogen 2.829 N/A ILE 46.A N LEU 68.A O no hydrogen 2.777 N/A ASP 47.A N PHE 10.A O no hydrogen 2.892 N/A HIS 49.A N SER 14.A OG no hydrogen 2.951 N/A VAL 51.A N HIS 49.A O no hydrogen 2.737 N/A TYR 54.A N GLY 50.A O no hydrogen 3.346 N/A TYR 54.A OH ASP 12.A OD2 no hydrogen 3.409 N/A VAL 55.A N VAL 51.A O no hydrogen 2.834 N/A GLU 56.A N GLU 52.A O no hydrogen 2.984 N/A LYS 57.A N GLY 53.A O no hydrogen 3.215 N/A LEU 58.A N TYR 54.A O no hydrogen 2.842 N/A SER 59.A N VAL 55.A O no hydrogen 2.905 N/A SER 59.A OG VAL 55.A O no hydrogen 2.543 N/A PHE 61.A N LEU 58.A O no hydrogen 2.913 N/A ALA 62.A N LEU 58.A O no hydrogen 3.062 N/A ARG 63.A N GLN 66.A OE1 no hydrogen 3.121 N/A ARG 63.A NH1 ALA 60.A O no hydrogen 3.414 N/A ARG 63.A NH1 ALA 62.A O no hydrogen 3.291 N/A GLY 65.A N GLY 85.A O no hydrogen 2.744 N/A GLN 66.A N ARG 63.A O no hydrogen 3.152 N/A GLN 66.A NE2 ILE 38.A O no hydrogen 2.845 N/A GLN 66.A NE2 PHE 41.A O no hydrogen 2.737 N/A LEU 68.A N VAL 44.A O no hydrogen 2.939 N/A THR 70.A N ILE 46.A O no hydrogen 3.162 N/A THR 70.A OG1 ASP 47.A OD1 no hydrogen 2.673 N/A SER 71.A N HIS 69.A ND1 no hydrogen 3.122 N/A SER 71.A OG HIS 74.A ND1 no hydrogen 2.672 N/A THR 73.A OG1 SER 71.A OG no hydrogen 3.220 N/A HIS 74.A N SER 71.A OG no hydrogen 3.361 N/A HIS 74.A ND1 SER 71.A OG no hydrogen 2.672 N/A HIS 74.A NE2 GLU 52.A OE1 no hydrogen 2.973 N/A HIS 74.A NE2 GLU 52.A OE2 no hydrogen 2.866 N/A VAL 78.A N GLY 75.A O no hydrogen 3.447 N/A THR 83.A N ASP 79.A O no hydrogen 2.869 N/A THR 83.A OG1 ASP 79.A O no hydrogen 2.968 N/A SER 84.A N LEU 81.A O no hydrogen 3.185 N/A SER 84.A OG SER 59.A O no hydrogen 3.310 N/A SER 84.A OG PRO 80.A O no hydrogen 2.976 N/A GLY 85.A N GLU 82.A O no hydrogen 2.950 N/A GLY 86.A N LEU 81.A O no hydrogen 2.981 N/A ILE 87.A N GLN 66.A O no hydrogen 2.905 N/A SER 89.A N SER 101.A O no hydrogen 2.901 N/A ALA 90.A N HIS 69.A O no hydrogen 3.074 N/A HIS 91.A N VAL 99.A O no hydrogen 2.887 N/A HIS 91.A ND1 THR 70.A O no hydrogen 2.679 N/A ILE 93.A N ARG 97.A O no hydrogen 2.849 N/A ARG 97.A N GLY 94.A O no hydrogen 3.048 N/A ARG 97.A NH1 GLN 95.A O no hydrogen 3.000 N/A TRP 98.A N SER 121.A O no hydrogen 2.860 N/A VAL 99.A N HIS 91.A O no hydrogen 2.874 N/A SER 101.A N SER 89.A O no hydrogen 3.016 N/A GLY 107.A N ASP 104.A OD1 no hydrogen 2.823 N/A GLU 108.A N ASP 104.A O no hydrogen 2.952 N/A THR 109.A N GLU 105.A O no hydrogen 2.954 N/A THR 109.A OG1 GLU 105.A O no hydrogen 3.160 N/A ILE 110.A N LEU 106.A O no hydrogen 2.971 N/A VAL 111.A N GLY 107.A O no hydrogen 2.966 N/A GLY 112.A N GLU 108.A O no hydrogen 3.173 N/A LEU 113.A N THR 109.A O no hydrogen 2.949 N/A LEU 114.A N ILE 110.A O no hydrogen 2.869 N/A VAL 115.A N VAL 111.A O no hydrogen 2.861 N/A GLY 116.A N GLY 112.A O no hydrogen 2.962 N/A GLU 117.A N LEU 113.A O no hydrogen 2.999 N/A LEU 118.A N LEU 114.A O no hydrogen 3.191 N/A GLY 119.A N GLY 116.A O no hydrogen 3.065 N/A GLY 120.A N VAL 115.A O no hydrogen 2.913 N/A SER 121.A N ASP 96.A O no hydrogen 2.990 N/A VAL 123.A N TRP 98.A O no hydrogen 2.855 N/A LYS 129.A N ALA 126.A O no hydrogen 3.012 N/A ARG 130.A N ASP 127.A O no hydrogen 3.258 N/A ARG 130.A NE ASP 127.A OD1 no hydrogen 3.264 N/A ARG 130.A NH1 LEU 72.A O no hydrogen 2.966 N/A LEU 133.A N LYS 129.A O no hydrogen 2.934 N/A ALA 134.A N ARG 130.A O no hydrogen 3.032 N/A ALA 135.A N ALA 131.A O no hydrogen 3.166 N/A ALA 136.A N GLN 132.A O no hydrogen 2.947 N/A LEU 137.A N LEU 133.A O no hydrogen 3.062 N/A THR 138.A N ALA 134.A O no hydrogen 3.080 N/A THR 138.A OG1 ALA 134.A O no hydrogen 3.316 N/A TYR 139.A N ALA 135.A O no hydrogen 2.865 N/A ALA 140.A N ALA 136.A O no hydrogen 3.057 N/A GLY 141.A N LEU 137.A O no hydrogen 2.938 N/A PHE 142.A N THR 138.A O no hydrogen 3.020 N/A PHE 142.A N TYR 139.A O no hydrogen 3.118 N/A LEU 143.A N ALA 140.A O no hydrogen 3.076 N/A SER 144.A N GLY 141.A O no hydrogen 3.076 N/A LEU 146.A N PHE 142.A O no hydrogen 3.094 N/A GLN 147.A N LEU 143.A O no hydrogen 2.842 N/A ARG 148.A N SER 144.A O no hydrogen 3.004 N/A ARG 148.A NE.C SER 144.A OG no hydrogen 3.280 N/A ASP 149.A N THR 145.A O no hydrogen 3.006 N/A ALA 150.A N LEU 146.A O no hydrogen 2.745 N/A SER 151.A N GLN 147.A O no hydrogen 2.926 N/A SER 151.A OG GLN 147.A O no hydrogen 2.670 N/A TYR 152.A N ARG 148.A O no hydrogen 3.007 N/A PHE 153.A N ASP 149.A O no hydrogen 3.054 N/A LEU 154.A N ALA 150.A O no hydrogen 2.966 N/A ASP 155.A N SER 151.A O no hydrogen 2.891 N/A GLU 156.A N TYR 152.A O no hydrogen 3.310 N/A GLU 156.A N PHE 153.A O no hydrogen 3.273 N/A PHE 157.A N LEU 154.A O no hydrogen 3.055 N/A LEU 158.A N LEU 154.A O no hydrogen 3.252 N/A GLY 159.A N ASP 155.A O no hydrogen 2.971 N/A ASP 160.A N ASP 155.A OD1 no hydrogen 2.736 N/A VAL 163.A N ASP 160.A OD1 no hydrogen 3.457 N/A THR 164.A N ASP 160.A O no hydrogen 2.905 N/A THR 164.A OG1 ASP 155.A OD1 no hydrogen 2.850 N/A THR 164.A OG1 ASP 160.A O no hydrogen 3.406 N/A SER 165.A N PRO 161.A O no hydrogen 2.865 N/A ASP 166.A N ASP 162.A O no hydrogen 3.072 N/A ILE 167.A N VAL 163.A O no hydrogen 2.970 N/A VAL 168.A N THR 164.A O no hydrogen 2.980 N/A SER 170.A N ILE 167.A O no hydrogen 2.881 N/A SER 170.A OG ILE 167.A O no hydrogen 2.737 N/A ALA 171.A N VAL 168.A O no hydrogen 3.013 N/A GLN 173.A N ASP 169.A O no hydrogen 2.926 N/A SER 179.A N GLU 182.A OE1 no hydrogen 3.042 N/A SER 179.A OG GLU 182.A OE1 no hydrogen 3.331 N/A GLU 182.A N SER 179.A OG no hydrogen 3.369 N/A VAL 183.A N SER 179.A O no hydrogen 2.917 N/A ILE 184.A N LEU 180.A O no hydrogen 2.940 N/A ALA 185.A N ASP 181.A O no hydrogen 2.905 N/A GLN 186.A N GLU 182.A O no hydrogen 2.839 N/A TYR 187.A N VAL 183.A O no hydrogen 2.897 N/A ASP 188.A N ILE 184.A O no hydrogen 2.948 N/A SER 189.A N ALA 185.A O no hydrogen 3.287 N/A SER 189.A N GLN 186.A O no hydrogen 3.075 N/A SER 189.A OG GLN 186.A O no hydrogen 2.605 N/A ILE 190.A N TYR 187.A O no hydrogen 3.206 N/A ARG 195.A N ASN 192.A OD1 no hydrogen 3.146 N/A ARG 195.A NE ASP 149.A OD1 no hydrogen 3.084 N/A ARG 195.A NH1 GLU 156.A OE2 no hydrogen 3.082 N/A ARG 195.A NH2 ASP 149.A OD1 no hydrogen 3.420 N/A GLN 196.A N ASN 192.A O no hydrogen 3.055 N/A GLN 196.A NE2 TYR 187.A O no hydrogen 3.023 N/A ARG 197.A N PRO 193.A O no hydrogen 3.073 N/A LEU 198.A N GLY 194.A O no hydrogen 3.144 N/A PHE 199.A N ARG 195.A O no hydrogen 2.864 N/A ARG 200.A N GLN 196.A O no hydrogen 3.219 N/A ARG 200.A NE ASP 201.A OD1 no hydrogen 2.977 N/A ARG 200.A NH1 LYS 222.A O no hydrogen 2.786 N/A ARG 200.A NH2 ASP 201.A OD1 no hydrogen 3.231 N/A ARG 200.A NH2 ASP 201.A OD2 no hydrogen 3.414 N/A ASP 201.A N ARG 197.A O no hydrogen 3.170 N/A LEU 202.A N LEU 198.A O no hydrogen 2.798 N/A ALA 203.A N PHE 199.A O no hydrogen 2.896 N/A ARG 204.A N ARG 200.A O no hydrogen 2.922 N/A ARG 204.A NH1 ASP 201.A OD1 no hydrogen 2.989 N/A ARG 205.A N ASP 201.A O no hydrogen 2.960 N/A ARG 205.A NH1 GLU 208.A OE1 no hydrogen 3.024 N/A GLN 206.A N LEU 202.A O no hydrogen 2.934 N/A GLN 206.A NE2 SER 210.A OG.B no hydrogen 2.512 N/A ALA 207.A N ALA 203.A O no hydrogen 2.922 N/A GLU 208.A N ARG 204.A O no hydrogen 2.815 N/A ILE 209.A N ARG 205.A O no hydrogen 3.072 N/A SER 210.A N GLN 206.A O no hydrogen 2.788 N/A SER 210.A OG.A GLN 206.A O no hydrogen 2.877 N/A SER 210.A OG.B GLN 206.A O no hydrogen 3.311 N/A ALA 212.A N ALA 207.A O no hydrogen 2.952 N/A ILE 215.A N ASP 214.A OD1 no hydrogen 2.889 N/A GLU 216.A N ALA 212.A O no hydrogen 3.086 N/A LEU 217.A N GLN 213.A O no hydrogen 2.767 N/A TRP 218.A N ASP 214.A O no hydrogen 2.970 N/A ALA 219.A N ILE 215.A O no hydrogen 2.877 N/A ILE 220.A N GLU 216.A O no hydrogen 3.025 N/A GLN 221.A N LEU 217.A O no hydrogen 3.039 N/A LYS 222.A N TRP 218.A O no hydrogen 3.154 N/A LYS 222.A N ALA 219.A O no hydrogen 3.235 N/A