Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rug_F.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N HIS 22.A O no hydrogen 2.958 N/A THR 3.A OG1 HIS 22.A O no hydrogen 3.456 N/A GLN 4.A NE2 TYR 87.A O no hydrogen 2.874 N/A GLN 4.A NE2 THR 104.A OG1 no hydrogen 3.248 N/A SER 5.A N SER 20.A O no hydrogen 2.925 N/A LYS 9.A N ARG 105.A O no hydrogen 2.942 N/A ALA 11.A N THR 107.A O no hydrogen 2.963 N/A THR 13.A N LEU 109.A O no hydrogen 2.897 N/A GLY 14.A N ALA 79.A O no hydrogen 2.782 N/A GLY 15.A N VAL 12.A O no hydrogen 2.937 N/A VAL 17.A N LEU 76.A O no hydrogen 2.906 N/A LEU 19.A N LEU 74.A O no hydrogen 2.781 N/A SER 20.A N SER 5.A O no hydrogen 2.884 N/A CYS 21.A N PHE 72.A O no hydrogen 2.977 N/A CYS 21.A SG THR 3.A O no hydrogen 3.784 N/A HIS 22.A N THR 3.A O no hydrogen 3.051 N/A HIS 22.A ND1 ASN 71.A OD1 no hydrogen 3.008 N/A GLN 23.A N GLU 70.A O no hydrogen 2.935 N/A GLN 23.A NE2 HIS 27.A O no hydrogen 3.441 N/A GLN 23.A NE2 GLN 69.A O no hydrogen 2.944 N/A ASN 25.A N GLN 23.A OE1 no hydrogen 2.942 N/A ASN 25.A ND2 ALA 1.A O no hydrogen 3.176 N/A ASP 28.A N ARG 92.A O no hydrogen 2.896 N/A TYR 29.A N ARG 92.A O no hydrogen 3.059 N/A MET 30.A N SER 47.A O no hydrogen 3.113 N/A TYR 31.A N ALA 90.A O no hydrogen 2.945 N/A TRP 32.A N HIS 45.A O no hydrogen 2.834 N/A TRP 32.A NE1 PHE 72.A O no hydrogen 3.309 N/A TYR 33.A N PHE 88.A O no hydrogen 2.868 N/A ARG 34.A N ARG 42.A O no hydrogen 2.885 N/A ARG 34.A NE ASP 36.A OD2 no hydrogen 2.711 N/A ARG 34.A NH1 TYR 62.A OH no hydrogen 3.006 N/A ARG 34.A NH1 SER 82.A O no hydrogen 2.854 N/A ARG 34.A NH2 ASP 36.A OD1 no hydrogen 2.755 N/A ARG 34.A NH2 ASP 36.A OD2 no hydrogen 3.271 N/A ARG 34.A NH2 SER 82.A O no hydrogen 2.778 N/A GLN 35.A N VAL 86.A O no hydrogen 2.808 N/A GLN 35.A NE2 HIS 39.A O no hydrogen 2.811 N/A ARG 42.A N ARG 34.A O no hydrogen 2.858 N/A ARG 42.A NH2 ASP 36.A OD2 no hydrogen 3.243 N/A ILE 44.A N TRP 32.A O no hydrogen 2.699 N/A HIS 45.A NE2 TYR 62.A O no hydrogen 2.989 N/A TYR 46.A N GLU 54.A O no hydrogen 2.911 N/A SER 47.A OG SER 52.A O no hydrogen 2.638 N/A ALA 50.A N GLN 69.A OE1 no hydrogen 3.369 N/A ASP 51.A N ARG 66.A O no hydrogen 2.783 N/A SER 52.A N VAL 49.A O no hydrogen 3.308 N/A SER 52.A OG VAL 49.A O no hydrogen 3.235 N/A GLU 54.A N TYR 46.A O no hydrogen 2.824 N/A GLY 56.A N ILE 44.A O no hydrogen 2.874 N/A ASP 57.A N LEU 43.A O no hydrogen 2.880 N/A ILE 58.A N LEU 43.A O no hydrogen 3.080 N/A TYR 62.A N PRO 59.A O no hydrogen 3.236 N/A TYR 62.A OH TYR 87.A OH no hydrogen 2.697 N/A LYS 63.A N ILE 75.A O no hydrogen 2.856 N/A LYS 63.A NZ GLU 77.A OE1 no hydrogen 3.448 N/A LYS 63.A NZ GLU 77.A OE2 no hydrogen 2.846 N/A SER 65.A N SER 73.A O no hydrogen 2.967 N/A ARG 66.A NE SER 68.A O no hydrogen 3.122 N/A ARG 66.A NH1 ASP 28.A O no hydrogen 3.052 N/A ARG 66.A NH1 SER 47.A OG no hydrogen 2.841 N/A ARG 66.A NH2 ASP 28.A O no hydrogen 3.024 N/A ARG 66.A NH2 GLN 69.A O no hydrogen 2.796 N/A GLN 69.A NE2 HIS 27.A O no hydrogen 2.840 N/A PHE 72.A N CYS 21.A O no hydrogen 3.056 N/A SER 73.A N SER 65.A O no hydrogen 2.908 N/A LEU 74.A N LEU 19.A O no hydrogen 2.834 N/A ILE 75.A N LYS 63.A O no hydrogen 2.728 N/A LEU 76.A N VAL 17.A O no hydrogen 2.726 N/A ALA 79.A N GLY 15.A O no hydrogen 2.808 N/A SER 80.A N GLN 83.A OE1 no hydrogen 2.913 N/A SER 80.A OG SER 82.A OG no hydrogen 3.000 N/A SER 82.A OG SER 80.A OG no hydrogen 3.000 N/A GLN 83.A N SER 80.A O no hydrogen 2.900 N/A GLN 83.A NE2 GLY 61.A O no hydrogen 3.079 N/A THR 84.A N LEU 81.A O no hydrogen 3.115 N/A THR 84.A OG1 LEU 81.A O no hydrogen 3.207 N/A ALA 85.A N LEU 106.A O no hydrogen 3.140 N/A VAL 86.A N GLN 35.A O no hydrogen 3.195 N/A TYR 87.A N THR 104.A O no hydrogen 2.869 N/A TYR 87.A OH TYR 62.A OH no hydrogen 2.697 N/A TYR 87.A OH GLN 83.A O no hydrogen 2.656 N/A PHE 88.A N TYR 33.A O no hydrogen 2.962 N/A CYS 89.A N GLN 4.A OE1 no hydrogen 2.878 N/A CYS 89.A SG TYR 31.A O no hydrogen 3.727 N/A CYS 89.A SG ALA 90.A O no hydrogen 3.800 N/A ALA 90.A N TYR 31.A O no hydrogen 3.252 N/A SER 91.A N TYR 99.A O no hydrogen 2.910 N/A ARG 92.A N TYR 29.A O no hydrogen 3.167 N/A ARG 92.A NE GLY 94.A O no hydrogen 2.869 N/A GLY 94.A N ASP 28.A OD2 no hydrogen 3.125 N/A TYR 96.A N LEU 93.A O no hydrogen 2.747 N/A GLN 98.A NE2 TYR 33.A OH no hydrogen 2.631 N/A TYR 99.A N SER 91.A O no hydrogen 2.903 N/A GLY 101.A N CYS 89.A O no hydrogen 2.981 N/A GLY 103.A N GLN 4.A OE1 no hydrogen 3.129 N/A THR 104.A N TYR 87.A O no hydrogen 2.969 N/A THR 104.A OG1 PRO 6.A O no hydrogen 2.759 N/A ARG 105.A NH1 ASP 148.A OD1 no hydrogen 2.910 N/A ARG 105.A NH2 ASP 148.A OD1 no hydrogen 3.115 N/A ARG 105.A NH2 ASP 148.A OD2 no hydrogen 3.518 N/A LEU 106.A N ALA 85.A O no hydrogen 2.912 N/A THR 107.A N LYS 9.A O no hydrogen 2.974 N/A VAL 108.A N THR 84.A OG1 no hydrogen 2.840 N/A LEU 109.A N ALA 11.A O no hydrogen 2.848 N/A VAL 115.A N LEU 112.A O no hydrogen 3.159 N/A PHE 116.A N TYR 146.A O no hydrogen 2.958 N/A GLU 119.A N THR 143.A O no hydrogen 2.876 N/A ALA 121.A N LEU 141.A O no hydrogen 2.988 N/A PHE 123.A N VAL 139.A O no hydrogen 2.783 N/A GLU 129.A N SER 126.A OG no hydrogen 2.995 N/A ILE 130.A N SER 126.A O no hydrogen 3.059 N/A SER 131.A N GLU 127.A O no hydrogen 3.017 N/A SER 131.A OG GLU 127.A O no hydrogen 3.011 N/A HIS 132.A N ALA 128.A O no hydrogen 2.977 N/A THR 133.A N GLU 129.A O no hydrogen 3.054 N/A THR 133.A OG1 GLU 129.A O no hydrogen 2.727 N/A GLN 134.A N ILE 130.A O no hydrogen 2.854 N/A LYS 135.A N THR 133.A OG1 no hydrogen 3.094 N/A ALA 136.A N VAL 189.A O no hydrogen 2.934 N/A THR 137.A N GLU 129.A OE1 no hydrogen 2.835 N/A THR 137.A OG1 GLU 129.A OE1 no hydrogen 3.298 N/A THR 137.A OG1 GLU 129.A OE2 no hydrogen 2.624 N/A LEU 138.A N LEU 187.A O no hydrogen 2.617 N/A VAL 139.A N PHE 123.A O no hydrogen 3.034 N/A CYS 140.A N SER 185.A O no hydrogen 2.889 N/A CYS 140.A SG ALA 121.A O no hydrogen 3.916 N/A LEU 141.A N ALA 121.A O no hydrogen 2.881 N/A ALA 142.A N LEU 183.A O no hydrogen 2.928 N/A THR 143.A N GLU 119.A O no hydrogen 2.831 N/A THR 143.A OG1 GLU 119.A O no hydrogen 3.546 N/A GLY 144.A N TYR 181.A O no hydrogen 2.834 N/A PHE 145.A N TYR 181.A O no hydrogen 3.174 N/A TYR 146.A N PHE 116.A O no hydrogen 2.919 N/A GLU 151.A N GLN 206.A O no hydrogen 2.950 N/A SER 153.A N GLN 204.A O no hydrogen 2.786 N/A TRP 154.A NE1 SER 185.A OG no hydrogen 2.769 N/A TRP 155.A N ARG 202.A O no hydrogen 2.788 N/A TRP 155.A NE1 SER 153.A OG no hydrogen 2.888 N/A VAL 156.A N LYS 159.A O no hydrogen 2.937 N/A ASN 157.A N HIS 200.A O no hydrogen 2.852 N/A ASN 157.A ND2 ASN 199.A OD1 no hydrogen 2.981 N/A LYS 159.A N VAL 156.A O no hydrogen 3.087 N/A VAL 161.A N TRP 154.A O no hydrogen 2.912 N/A VAL 165.A N HIS 162.A O no hydrogen 3.147 N/A CYS 166.A N ARG 186.A O no hydrogen 3.202 N/A THR 167.A OG1 SER 185.A OG no hydrogen 2.899 N/A ASP 168.A N SER 184.A O no hydrogen 3.147 N/A LEU 172.A N ALA 182.A O no hydrogen 2.884 N/A GLU 174.A N ARG 180.A O no hydrogen 3.105 N/A GLN 175.A N SER 179.A OG no hydrogen 3.357 N/A SER 179.A OG GLN 175.A O no hydrogen 3.042 N/A SER 179.A OG ARG 180.A O no hydrogen 3.153 N/A ARG 180.A NH1 GLY 144.A O no hydrogen 2.931 N/A TYR 181.A N PHE 145.A O no hydrogen 2.734 N/A ALA 182.A N LEU 172.A O no hydrogen 2.966 N/A LEU 183.A N ALA 142.A O no hydrogen 2.777 N/A SER 184.A N ASP 168.A OD2 no hydrogen 2.911 N/A SER 184.A OG ASP 168.A OD1 no hydrogen 3.146 N/A SER 184.A OG ASP 168.A OD2 no hydrogen 2.701 N/A SER 185.A N CYS 140.A O no hydrogen 3.151 N/A SER 185.A OG CYS 166.A O no hydrogen 3.228 N/A SER 185.A OG THR 167.A OG1 no hydrogen 2.899 N/A ARG 186.A N CYS 166.A O no hydrogen 2.997 N/A ARG 186.A NH1 ASP 168.A OD1 no hydrogen 2.546 N/A LEU 187.A N LEU 138.A O no hydrogen 2.881 N/A ARG 188.A N GLY 164.A O no hydrogen 2.882 N/A ARG 188.A NE GLU 129.A OE2 no hydrogen 3.063 N/A ARG 188.A NH1 GLU 129.A OE2 no hydrogen 2.935 N/A VAL 189.A N ALA 136.A O no hydrogen 2.999 N/A ALA 191.A N GLN 134.A O no hydrogen 2.837 N/A PHE 193.A N SER 190.A OG no hydrogen 3.221 N/A TRP 194.A N SER 190.A O no hydrogen 3.060 N/A GLN 195.A N ALA 191.A O no hydrogen 2.878 N/A ASN 196.A N PHE 193.A O no hydrogen 3.473 N/A ARG 198.A N ASN 196.A OD1 no hydrogen 2.869 N/A ASN 199.A N ASN 196.A O no hydrogen 2.973 N/A ASN 199.A ND2 PHE 193.A O no hydrogen 2.893 N/A HIS 200.A N ASN 157.A OD1 no hydrogen 2.763 N/A PHE 201.A N ALA 232.A O no hydrogen 2.837 N/A ARG 202.A N TRP 155.A O no hydrogen 2.845 N/A ARG 202.A NH2 GLN 204.A OE1 no hydrogen 2.626 N/A CYS 203.A N ALA 230.A O no hydrogen 2.995 N/A GLN 204.A N SER 153.A O no hydrogen 2.716 N/A VAL 205.A N VAL 228.A O no hydrogen 2.702 N/A GLN 206.A N GLU 151.A O no hydrogen 2.751 N/A PHE 207.A N GLN 226.A O no hydrogen 2.659 N/A TYR 208.A N HIS 149.A O no hydrogen 3.123 N/A TYR 208.A OH GLU 151.A OE2 no hydrogen 2.838 N/A GLY 209.A N THR 225.A OG1 no hydrogen 2.845 N/A LEU 210.A N PRO 223.A O no hydrogen 3.047 N/A SER 211.A N ASP 214.A OD2 no hydrogen 2.931 N/A ASP 214.A N SER 211.A O no hydrogen 3.252 N/A TRP 216.A NE1 ARG 220.A O no hydrogen 2.966 N/A THR 217.A OG1 GLN 218.A OE1 no hydrogen 3.381 N/A ARG 220.A NH1 VAL 115.A O no hydrogen 2.850 N/A ARG 220.A NH2 LYS 113.A O no hydrogen 2.938 N/A ARG 220.A NH2 VAL 115.A O no hydrogen 3.122 N/A LYS 222.A NZ SER 211.A O no hydrogen 3.408 N/A LYS 222.A NZ GLU 212.A O no hydrogen 2.891 N/A LYS 222.A NZ ASP 214.A O no hydrogen 2.724 N/A VAL 224.A N LYS 222.A O no hydrogen 2.849 N/A THR 225.A N LEU 210.A O no hydrogen 3.021 N/A GLN 226.A N PHE 207.A O no hydrogen 2.962 N/A VAL 228.A N VAL 205.A O no hydrogen 2.921 N/A SER 229.A OG CYS 203.A O no hydrogen 3.368 N/A ALA 230.A N CYS 203.A O no hydrogen 3.184 N/A ALA 232.A N PHE 201.A O no hydrogen 2.846 N/A GLY 234.A N ASN 199.A O no hydrogen 2.848 N/A ARG 235.A N TRP 194.A O no hydrogen 3.009 N/A ARG 235.A NE GLU 124.A OE1 no hydrogen 3.179 N/A ARG 235.A NH2 GLU 124.A OE1 no hydrogen 2.868 N/A