Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1thf_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A N ASN 247.A O no hydrogen 2.927 N/A LYS 4.A NZ ALA 218.A O no hydrogen 2.994 N/A LYS 4.A NZ ASP 219.A OD1 no hydrogen 3.124 N/A ARG 5.A N ASP 219.A O no hydrogen 3.057 N/A ARG 5.A NH1 GLU 46.A OE2 no hydrogen 2.863 N/A ARG 5.A NH1 GLU 167.A OE2 no hydrogen 2.915 N/A ARG 5.A NH2 GLU 167.A OE2 no hydrogen 2.851 N/A ILE 6.A N ASP 45.A OD2 no hydrogen 2.770 N/A ILE 7.A N ALA 221.A O no hydrogen 2.907 N/A ALA 8.A N GLU 46.A O no hydrogen 3.194 N/A CYS 9.A N ALA 223.A O no hydrogen 2.863 N/A CYS 9.A SG ASP 11.A OD1 no hydrogen 3.550 N/A LEU 10.A N VAL 48.A O no hydrogen 2.725 N/A VAL 12.A N LEU 50.A O no hydrogen 2.756 N/A LYS 13.A N ARG 16.A O no hydrogen 2.899 N/A LYS 13.A NZ ASP 14.A OD2 no hydrogen 2.773 N/A ARG 16.A N LYS 13.A O no hydrogen 3.127 N/A ARG 16.A NH2 ASP 28.A OD2 no hydrogen 2.439 N/A VAL 17.A N GLY 30.A O no hydrogen 2.815 N/A VAL 18.A N ASP 11.A O no hydrogen 2.832 N/A LYS 19.A NZ ASP 28.A OD1 no hydrogen 2.827 N/A LEU 26.A N PHE 23.A O no hydrogen 2.733 N/A ARG 27.A N GLU 34.A OE2 no hydrogen 2.843 N/A ASP 28.A N GLU 34.A OE1 no hydrogen 2.768 N/A GLY 30.A N ASP 28.A OD1 no hydrogen 2.873 N/A ASP 31.A N ASP 28.A O no hydrogen 2.994 N/A VAL 33.A N ASP 31.A OD1 no hydrogen 3.016 N/A GLU 34.A N ASP 31.A OD2 no hydrogen 3.353 N/A LEU 35.A N ASP 31.A O no hydrogen 2.960 N/A GLY 36.A N PRO 32.A O no hydrogen 2.918 N/A LYS 37.A N VAL 33.A O no hydrogen 2.856 N/A LYS 37.A NZ GLU 41.A OE2 no hydrogen 2.683 N/A PHE 38.A N GLU 34.A O no hydrogen 2.959 N/A TYR 39.A N LEU 35.A O no hydrogen 2.990 N/A SER 40.A N GLY 36.A O no hydrogen 3.070 N/A GLU 41.A N LYS 37.A O no hydrogen 2.981 N/A ILE 42.A N PHE 38.A O no hydrogen 3.142 N/A ILE 42.A N TYR 39.A O no hydrogen 3.230 N/A ILE 44.A N TYR 39.A O no hydrogen 3.020 N/A ASP 45.A N ILE 6.A O no hydrogen 2.888 N/A LEU 47.A N PRO 76.A O no hydrogen 2.984 N/A VAL 48.A N ALA 8.A O no hydrogen 2.920 N/A PHE 49.A N THR 78.A O no hydrogen 2.826 N/A LEU 50.A N LEU 10.A O no hydrogen 2.984 N/A ASP 51.A N GLY 80.A O no hydrogen 2.882 N/A ILE 52.A N VAL 12.A O no hydrogen 3.068 N/A THR 53.A N ASP 51.A OD1 no hydrogen 2.860 N/A THR 53.A OG1 ASP 51.A OD1 no hydrogen 2.696 N/A ALA 54.A N ASP 51.A OD1 no hydrogen 2.303 N/A VAL 56.A N SER 55.A OG no hydrogen 2.538 N/A LYS 58.A NZ ALA 54.A O no hydrogen 3.280 N/A LYS 58.A NZ GLY 82.A O no hydrogen 2.892 N/A ARG 59.A NE GLU 91.A OE1 no hydrogen 3.242 N/A THR 61.A N GLU 57.A O no hydrogen 2.667 N/A THR 61.A OG1 GLU 57.A O no hydrogen 3.113 N/A THR 61.A OG1 LYS 58.A O no hydrogen 3.313 N/A MET 62.A N LYS 58.A O no hydrogen 2.717 N/A LEU 63.A N ARG 59.A O no hydrogen 3.108 N/A GLU 64.A N LYS 60.A O no hydrogen 3.266 N/A LEU 65.A N THR 61.A O no hydrogen 3.068 N/A VAL 66.A N MET 62.A O no hydrogen 2.932 N/A GLU 67.A N LEU 63.A O no hydrogen 2.998 N/A LYS 68.A N GLU 64.A O no hydrogen 3.126 N/A VAL 69.A N LEU 65.A O no hydrogen 2.869 N/A ALA 70.A N VAL 66.A O no hydrogen 2.903 N/A GLN 72.A N VAL 69.A O no hydrogen 2.988 N/A ILE 73.A N VAL 69.A O no hydrogen 2.999 N/A PHE 77.A N ASP 98.A OD2 no hydrogen 2.847 N/A THR 78.A N LEU 47.A O no hydrogen 2.943 N/A VAL 79.A N LYS 99.A O no hydrogen 3.031 N/A GLY 80.A N PHE 49.A O no hydrogen 2.923 N/A THR 88.A N ASP 85.A OD1 no hydrogen 2.890 N/A THR 88.A OG1 ASP 85.A OD1 no hydrogen 2.658 N/A ALA 89.A N ASP 85.A O no hydrogen 3.213 N/A SER 90.A N PHE 86.A O no hydrogen 2.806 N/A SER 90.A OG.A PHE 86.A O no hydrogen 2.938 N/A GLU 91.A N GLU 87.A O no hydrogen 2.959 N/A LEU 92.A N THR 88.A O no hydrogen 3.166 N/A ILE 93.A N ALA 89.A O no hydrogen 3.074 N/A LEU 94.A N SER 90.A O no hydrogen 2.874 N/A ARG 95.A N GLU 91.A O no hydrogen 3.126 N/A ARG 95.A NH1 GLU 91.A O no hydrogen 2.970 N/A GLY 96.A N ILE 93.A O no hydrogen 2.941 N/A ALA 97.A N LEU 92.A O no hydrogen 3.008 N/A ASP 98.A N PHE 77.A O no hydrogen 3.082 N/A LYS 99.A N PHE 77.A O no hydrogen 3.201 N/A LYS 99.A NZ.A GLU 46.A OE1 no hydrogen 2.882 N/A LYS 99.A NZ.A GLU 46.A OE2 no hydrogen 3.344 N/A LYS 99.A NZ.A GLU 167.A OE1 no hydrogen 2.731 N/A LYS 99.A NZ.B GLN 123.A O no hydrogen 2.987 N/A LYS 99.A NZ.B GLU 167.A OE1 no hydrogen 3.513 N/A VAL 100.A N ALA 124.A O no hydrogen 2.930 N/A SER 101.A N VAL 79.A O no hydrogen 2.852 N/A ILE 102.A N VAL 126.A O no hydrogen 2.990 N/A VAL 107.A N ASN 103.A O no hydrogen 3.027 N/A GLU 108.A N THR 104.A O no hydrogen 3.022 N/A ASN 109.A N ALA 106.A O no hydrogen 3.250 N/A ASN 109.A ND2 SER 111.A OG no hydrogen 3.141 N/A SER 111.A OG GLN 115.A OE1 no hydrogen 3.547 N/A LEU 112.A N ASN 109.A O no hydrogen 2.837 N/A ILE 113.A N PRO 110.A O no hydrogen 3.100 N/A THR 114.A OG1 ARG 163.A O no hydrogen 2.634 N/A GLN 115.A N SER 111.A O no hydrogen 2.899 N/A ILE 116.A N LEU 112.A O no hydrogen 3.099 N/A ALA 117.A N ILE 113.A O no hydrogen 3.015 N/A GLN 118.A N THR 114.A O no hydrogen 2.804 N/A THR 119.A N GLN 115.A O no hydrogen 3.175 N/A THR 119.A OG1 GLN 115.A O no hydrogen 3.055 N/A PHE 120.A N ILE 116.A O no hydrogen 2.906 N/A GLY 121.A N ALA 117.A O no hydrogen 2.755 N/A SER 122.A OG.A GLY 164.A O no hydrogen 2.687 N/A ALA 124.A N GLY 121.A O no hydrogen 3.106 N/A VAL 125.A N SER 122.A O no hydrogen 3.020 N/A VAL 126.A N VAL 100.A O no hydrogen 2.907 N/A VAL 127.A N GLU 167.A O no hydrogen 3.004 N/A ALA 128.A N ILE 102.A O no hydrogen 2.843 N/A ILE 129.A N LEU 169.A O no hydrogen 2.783 N/A ALA 131.A N THR 171.A O no hydrogen 3.058 N/A LYS 132.A N MET 139.A O no hydrogen 3.188 N/A LYS 132.A NZ ASP 174.A OD1 no hydrogen 2.887 N/A ARG 133.A NH1 GLU 185.A OE1 no hydrogen 2.544 N/A ARG 133.A NH1 GLU 185.A OE2 no hydrogen 3.213 N/A VAL 134.A N GLU 137.A O no hydrogen 2.786 N/A GLU 137.A N VAL 134.A O no hydrogen 2.989 N/A MET 139.A N LYS 132.A O no hydrogen 2.924 N/A VAL 140.A N ILE 151.A O no hydrogen 2.923 N/A PHE 141.A N ASP 130.A O no hydrogen 2.901 N/A THR 142.A N LYS 147.A O no hydrogen 2.869 N/A TYR 143.A N THR 104.A OG1 no hydrogen 3.091 N/A TYR 143.A OH GLU 108.A OE2 no hydrogen 2.602 N/A LYS 146.A N THR 142.A O no hydrogen 3.212 N/A LYS 146.A N TYR 143.A O no hydrogen 3.063 N/A LYS 147.A N THR 142.A O no hydrogen 3.025 N/A THR 149.A N VAL 140.A O no hydrogen 3.034 N/A THR 149.A OG1 VAL 140.A O no hydrogen 2.697 N/A ILE 151.A N THR 149.A OG1 no hydrogen 3.055 N/A LEU 153.A N PHE 138.A O no hydrogen 2.913 N/A ARG 154.A NE ASP 155.A OD1 no hydrogen 3.099 N/A ARG 154.A NH2 ASP 155.A OD1 no hydrogen 3.046 N/A ARG 154.A NH2 ASP 155.A OD2 no hydrogen 3.291 N/A TRP 156.A N LEU 152.A O no hydrogen 3.079 N/A VAL 157.A N LEU 153.A O no hydrogen 2.950 N/A VAL 158.A N ARG 154.A O no hydrogen 3.397 N/A GLU 159.A N ASP 155.A O no hydrogen 3.044 N/A VAL 160.A N TRP 156.A O no hydrogen 2.800 N/A GLU 161.A N VAL 157.A O no hydrogen 3.187 N/A LYS 162.A N VAL 158.A O no hydrogen 3.033 N/A ARG 163.A N GLU 159.A O no hydrogen 2.889 N/A ARG 163.A NE GLU 159.A OE2 no hydrogen 2.759 N/A GLY 164.A N GLU 161.A O no hydrogen 2.979 N/A ALA 165.A N VAL 160.A O no hydrogen 3.292 N/A GLY 166.A N VAL 125.A O no hydrogen 2.927 N/A GLU 167.A N VAL 125.A O no hydrogen 3.369 N/A ILE 168.A N PRO 197.A O no hydrogen 2.964 N/A LEU 169.A N VAL 127.A O no hydrogen 2.883 N/A LEU 170.A N ILE 199.A O no hydrogen 2.818 N/A THR 171.A N ILE 129.A O no hydrogen 2.892 N/A SER 172.A N SER 201.A O no hydrogen 3.165 N/A SER 172.A OG ASP 183.A OD2 no hydrogen 2.753 N/A ARG 175.A N SER 172.A O no hydrogen 3.061 N/A ARG 175.A NH1.A GLY 181.A O no hydrogen 2.850 N/A ASP 176.A N SER 172.A O no hydrogen 3.037 N/A ASP 176.A N ILE 173.A O no hydrogen 3.221 N/A THR 178.A N ARG 175.A O no hydrogen 2.991 N/A THR 178.A OG1 ARG 175.A O no hydrogen 2.708 N/A THR 178.A OG1 SER 180.A OG no hydrogen 2.744 N/A LYS 179.A NZ GLU 231.A OE2 no hydrogen 2.599 N/A SER 180.A N THR 178.A OG1 no hydrogen 3.225 N/A SER 180.A OG THR 178.A OG1 no hydrogen 2.744 N/A GLY 181.A N GLY 203.A O no hydrogen 2.791 N/A TYR 182.A OH LEU 222.A O no hydrogen 2.802 N/A THR 184.A N TYR 182.A O no hydrogen 2.991 N/A MET 186.A N ASP 183.A OD1 no hydrogen 3.083 N/A ILE 187.A N ASP 183.A O no hydrogen 3.021 N/A ARG 188.A N THR 184.A O no hydrogen 2.902 N/A ARG 188.A NH1 THR 184.A OG1 no hydrogen 3.424 N/A PHE 189.A N GLU 185.A O no hydrogen 2.965 N/A VAL 190.A N MET 186.A O no hydrogen 3.051 N/A ARG 191.A N ILE 187.A O no hydrogen 2.948 N/A ARG 191.A NE ARG 191.A O no hydrogen 2.891 N/A ARG 191.A NH1 GLY 217.A O no hydrogen 2.959 N/A ARG 191.A NH1 ASP 219.A OD2 no hydrogen 2.797 N/A ARG 191.A NH2 THR 194.A O no hydrogen 2.906 N/A ARG 191.A NH2 LEU 196.A O no hydrogen 2.902 N/A LEU 193.A N VAL 190.A O no hydrogen 2.898 N/A THR 194.A OG1 GLU 161.A OE1 no hydrogen 2.692 N/A THR 195.A N GLU 161.A OE1 no hydrogen 2.888 N/A THR 195.A OG1 GLU 161.A OE1 no hydrogen 3.536 N/A THR 195.A OG1 GLU 161.A OE2 no hydrogen 2.859 N/A LEU 196.A N THR 194.A OG1 no hydrogen 3.031 N/A ILE 198.A N ASP 219.A OD2 no hydrogen 2.828 N/A ILE 199.A N ILE 168.A O no hydrogen 2.802 N/A ALA 200.A N ALA 220.A O no hydrogen 2.862 N/A SER 201.A N LEU 170.A O no hydrogen 2.971 N/A GLY 205.A N HIS 209.A ND1 no hydrogen 2.911 N/A LYS 206.A N HIS 209.A ND1 no hydrogen 3.107 N/A HIS 209.A N LYS 206.A O no hydrogen 2.932 N/A PHE 210.A N MET 207.A O no hydrogen 3.022 N/A LEU 211.A N MET 207.A O no hydrogen 3.428 N/A GLU 212.A N GLU 208.A O no hydrogen 3.041 N/A ALA 213.A N HIS 209.A O no hydrogen 3.019 N/A PHE 214.A N PHE 210.A O no hydrogen 3.045 N/A LEU 215.A N LEU 211.A O no hydrogen 2.856 N/A ALA 216.A N GLU 212.A O no hydrogen 2.959 N/A GLY 217.A N PHE 214.A O no hydrogen 2.964 N/A ALA 218.A N ALA 213.A O no hydrogen 3.085 N/A ASP 219.A N ILE 198.A O no hydrogen 2.803 N/A ALA 220.A N ILE 198.A O no hydrogen 3.112 N/A ALA 221.A N ARG 5.A O no hydrogen 2.917 N/A LEU 222.A N ALA 200.A O no hydrogen 2.845 N/A ALA 223.A N ILE 7.A O no hydrogen 3.098 N/A PHE 227.A N ALA 224.A O no hydrogen 3.173 N/A HIS 228.A N ALA 224.A O no hydrogen 2.886 N/A PHE 229.A N SER 225.A O no hydrogen 2.855 N/A ARG 230.A N PHE 227.A O no hydrogen 3.094 N/A GLU 231.A N VAL 226.A O no hydrogen 2.821 N/A GLU 236.A N ASP 233.A OD2 no hydrogen 2.942 N/A LEU 237.A N ASP 233.A O no hydrogen 2.927 N/A LYS 238.A N VAL 234.A O no hydrogen 2.948 N/A LYS 238.A NZ GLY 43.A O no hydrogen 2.683 N/A LYS 238.A NZ ASP 45.A OD1 no hydrogen 2.757 N/A LYS 238.A NZ ASP 45.A OD2 no hydrogen 3.348 N/A LYS 238.A NZ ARG 249.A O no hydrogen 2.896 N/A GLU 239.A N ARG 235.A O no hydrogen 2.881 N/A TYR 240.A N GLU 236.A O no hydrogen 3.024 N/A LEU 241.A N LEU 237.A O no hydrogen 2.974 N/A LYS 242.A N LYS 238.A O no hydrogen 2.939 N/A LYS 242.A NZ VAL 248.A O no hydrogen 2.876 N/A LYS 243.A N GLU 239.A O no hydrogen 3.087 N/A HIS 244.A N TYR 240.A O no hydrogen 3.203 N/A HIS 244.A N LEU 241.A O no hydrogen 3.059 N/A HIS 244.A ND1 TYR 240.A O no hydrogen 2.994 N/A GLY 245.A N LYS 242.A O no hydrogen 3.086 N/A VAL 246.A N LEU 241.A O no hydrogen 3.000 N/A VAL 248.A N VAL 246.A O no hydrogen 2.849 N/A ARG 249.A NE GLU 251.A OE1 no hydrogen 3.177 N/A LEU 253.A N LEU 250.A O no hydrogen 3.251 N/A