Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bht_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 4.A N SER 1.A O no hydrogen 2.959 N/A VAL 5.A N VAL 2.A O no hydrogen 2.801 N/A TYR 8.A N VAL 5.A O no hydrogen 2.978 N/A HIS 9.A N VAL 5.A O no hydrogen 2.842 N/A ILE 12.A N TYR 8.A O no hydrogen 2.863 N/A HIS 13.A N HIS 9.A O no hydrogen 2.937 N/A THR 14.A N GLU 10.A O no hydrogen 2.973 N/A THR 14.A OG1 GLU 10.A O no hydrogen 3.140 N/A TYR 15.A N ASP 11.A O no hydrogen 2.881 N/A LEU 16.A N ILE 12.A O no hydrogen 2.843 N/A ARG 17.A N HIS 13.A O no hydrogen 2.988 N/A ARG 17.A NH1 THR 210.A O no hydrogen 2.934 N/A GLU 18.A N THR 14.A O no hydrogen 3.222 N/A MET 19.A N TYR 15.A O no hydrogen 2.897 N/A GLU 20.A N LEU 16.A O no hydrogen 2.841 N/A LYS 22.A N GLU 18.A O no hydrogen 3.352 N/A LYS 22.A NZ GLU 18.A OE2 no hydrogen 2.982 N/A CYS 23.A N MET 19.A O no hydrogen 2.715 N/A CYS 23.A SG MET 19.A O no hydrogen 3.099 N/A LYS 24.A N VAL 21.A O no hydrogen 3.448 N/A LYS 24.A NZ LYS 179.A O no hydrogen 3.489 N/A LYS 26.A N SER 74.A OG no hydrogen 2.860 N/A TYR 29.A N LYS 26.A O no hydrogen 3.302 N/A TYR 29.A OH ASP 70.A OD1 no hydrogen 2.692 N/A LYS 31.A NZ LYS 31.A O no hydrogen 3.104 N/A LYS 32.A N TYR 29.A O no hydrogen 2.914 N/A GLN 33.A N MET 30.A O no hydrogen 3.022 N/A GLN 33.A NE2 LEU 73.A O no hydrogen 2.897 N/A GLN 33.A NE2 MET 76.A O no hydrogen 2.727 N/A MET 40.A N THR 37.A OG1 no hydrogen 3.125 N/A ARG 41.A N THR 37.A O no hydrogen 3.018 N/A ARG 41.A NE ASP 70.A OD1 no hydrogen 2.731 N/A ARG 41.A NH1 LEU 171.A O no hydrogen 2.766 N/A ARG 41.A NH2 ASP 70.A OD1 no hydrogen 3.489 N/A ARG 41.A NH2 ASP 70.A OD2 no hydrogen 2.743 N/A ARG 41.A NH2 LEU 171.A O no hydrogen 2.994 N/A ALA 42.A N ASN 38.A O no hydrogen 2.928 N/A ILE 43.A N SER 39.A O no hydrogen 3.106 N/A LEU 44.A N MET 40.A O no hydrogen 3.064 N/A VAL 45.A N ARG 41.A O no hydrogen 2.935 N/A ASP 46.A N ALA 42.A O no hydrogen 2.935 N/A TRP 47.A N ILE 43.A O no hydrogen 2.997 N/A LEU 48.A N LEU 44.A O no hydrogen 2.972 N/A VAL 49.A N VAL 45.A O no hydrogen 3.001 N/A GLU 50.A N ASP 46.A O no hydrogen 3.217 N/A VAL 51.A N TRP 47.A O no hydrogen 2.849 N/A GLY 52.A N LEU 48.A O no hydrogen 2.865 N/A GLU 53.A N VAL 49.A O no hydrogen 2.959 N/A GLU 54.A N GLU 50.A O no hydrogen 2.867 N/A TYR 55.A N VAL 51.A O no hydrogen 3.010 N/A LYS 56.A N GLU 53.A O no hydrogen 3.297 N/A LEU 57.A N GLY 52.A O no hydrogen 2.787 N/A GLN 58.A N GLU 99.A OE2 no hydrogen 2.747 N/A THR 61.A OG1 GLU 99.A OE2 no hydrogen 2.512 N/A LEU 62.A N GLN 58.A O no hydrogen 3.494 N/A HIS 63.A N ASN 59.A O no hydrogen 3.026 N/A HIS 63.A ND1 ASN 59.A O no hydrogen 3.115 N/A LEU 64.A N GLU 60.A O no hydrogen 2.897 N/A ALA 65.A N THR 61.A O no hydrogen 3.016 N/A VAL 66.A N LEU 62.A O no hydrogen 3.176 N/A ASN 67.A N HIS 63.A O no hydrogen 3.120 N/A ASN 67.A ND2 CYS 23.A O no hydrogen 3.284 N/A TYR 68.A N LEU 64.A O no hydrogen 2.869 N/A TYR 68.A OH LEU 136.A O no hydrogen 2.722 N/A ILE 69.A N ALA 65.A O no hydrogen 2.876 N/A ASP 70.A N VAL 66.A O no hydrogen 2.922 N/A ARG 71.A N ASN 67.A O no hydrogen 3.063 N/A ARG 71.A NH1 ASN 67.A OD1 no hydrogen 2.843 N/A ARG 71.A NH1 ASP 135.A O no hydrogen 3.001 N/A ARG 71.A NH2 ASP 135.A O no hydrogen 2.752 N/A PHE 72.A N TYR 68.A O no hydrogen 2.897 N/A LEU 73.A N ILE 69.A O no hydrogen 2.877 N/A SER 74.A N ARG 71.A O no hydrogen 3.254 N/A SER 74.A OG ASP 70.A O no hydrogen 2.775 N/A SER 75.A N PHE 72.A O no hydrogen 3.220 N/A MET 76.A N PHE 72.A O no hydrogen 2.970 N/A VAL 78.A N GLN 33.A OE1 no hydrogen 3.081 N/A ARG 80.A N ASP 35.A OD2 no hydrogen 2.751 N/A ARG 80.A NE ASP 35.A OD1 no hydrogen 3.405 N/A ARG 80.A NE ASP 35.A OD2 no hydrogen 3.230 N/A ARG 80.A NH2 ASP 35.A O no hydrogen 3.287 N/A ARG 80.A NH2 ASP 35.A OD1 no hydrogen 3.224 N/A LYS 82.A N LEU 79.A O no hydrogen 2.931 N/A VAL 86.A N LYS 82.A O no hydrogen 3.134 N/A GLY 87.A N LEU 83.A O no hydrogen 2.960 N/A THR 88.A N GLN 84.A O no hydrogen 2.837 N/A THR 88.A OG1 GLN 84.A O no hydrogen 2.670 N/A ALA 89.A N LEU 85.A O no hydrogen 3.021 N/A ALA 90.A N VAL 86.A O no hydrogen 2.874 N/A MET 91.A N GLY 87.A O no hydrogen 2.994 N/A LEU 92.A N THR 88.A O no hydrogen 2.962 N/A LEU 93.A N ALA 89.A O no hydrogen 2.965 N/A ALA 94.A N ALA 90.A O no hydrogen 2.810 N/A SER 95.A N MET 91.A O no hydrogen 2.917 N/A SER 95.A OG MET 91.A O no hydrogen 2.720 N/A LYS 96.A N LEU 92.A O no hydrogen 3.002 N/A LYS 96.A NZ GLU 125.A OE1 no hydrogen 2.723 N/A LYS 96.A NZ GLU 125.A OE2 no hydrogen 3.336 N/A PHE 97.A N LEU 93.A O no hydrogen 2.988 N/A GLU 98.A N ALA 94.A O no hydrogen 2.909 N/A GLU 99.A N SER 95.A O no hydrogen 2.804 N/A GLU 104.A N GLU 107.A OE1 no hydrogen 2.846 N/A GLU 107.A N GLU 104.A O no hydrogen 2.950 N/A PHE 108.A N GLU 104.A O no hydrogen 3.253 N/A VAL 109.A N VAL 105.A O no hydrogen 2.962 N/A TYR 110.A N ALA 106.A O no hydrogen 2.972 N/A ILE 111.A N GLU 107.A O no hydrogen 3.212 N/A THR 112.A N VAL 109.A O no hydrogen 3.215 N/A THR 112.A OG1 VAL 109.A O no hydrogen 2.702 N/A ASP 113.A N TYR 110.A O no hydrogen 2.953 N/A THR 115.A N THR 112.A O no hydrogen 3.224 N/A THR 115.A OG1 THR 112.A O no hydrogen 2.786 N/A TYR 116.A OH GLY 81.A O no hydrogen 2.600 N/A THR 117.A N GLN 120.A OE1 no hydrogen 3.075 N/A GLN 120.A N THR 117.A OG1 no hydrogen 3.108 N/A VAL 121.A N THR 117.A O no hydrogen 3.083 N/A LEU 122.A N LYS 118.A O no hydrogen 2.948 N/A ARG 123.A N LYS 119.A O no hydrogen 2.968 N/A MET 124.A N GLN 120.A O no hydrogen 2.910 N/A GLU 125.A N VAL 121.A O no hydrogen 2.856 N/A HIS 126.A N LEU 122.A O no hydrogen 3.156 N/A LEU 127.A N ARG 123.A O no hydrogen 2.992 N/A VAL 128.A N MET 124.A O no hydrogen 2.806 N/A LEU 129.A N GLU 125.A O no hydrogen 3.029 N/A LYS 130.A N HIS 126.A O no hydrogen 2.986 N/A VAL 131.A N LEU 127.A O no hydrogen 2.894 N/A LEU 132.A N VAL 128.A O no hydrogen 2.909 N/A ALA 133.A N LYS 130.A O no hydrogen 3.094 N/A PHE 134.A N LEU 129.A O no hydrogen 2.859 N/A ASP 135.A N LEU 132.A O no hydrogen 3.018 N/A THR 140.A OG1 GLU 60.A OE1 no hydrogen 2.650 N/A THR 140.A OG1 GLU 60.A OE2 no hydrogen 3.245 N/A GLN 143.A N THR 140.A O no hydrogen 3.146 N/A GLN 143.A N THR 140.A OG1 no hydrogen 3.220 N/A GLN 143.A NE2 GLU 60.A OE2 no hydrogen 2.733 N/A GLN 143.A NE2 ALA 138.A O no hydrogen 3.011 N/A PHE 144.A N THR 140.A O no hydrogen 3.489 N/A LEU 145.A N ILE 141.A O no hydrogen 2.930 N/A THR 146.A N ASN 142.A O no hydrogen 3.051 N/A THR 146.A OG1 ASN 142.A O no hydrogen 3.468 N/A THR 146.A OG1 GLN 143.A O no hydrogen 3.502 N/A TYR 148.A N PHE 144.A O no hydrogen 2.983 N/A TYR 148.A OH SER 183.A O no hydrogen 2.810 N/A PHE 149.A N LEU 145.A O no hydrogen 2.875 N/A LEU 150.A N GLN 147.A O no hydrogen 3.208 N/A HIS 151.A N TYR 148.A O no hydrogen 2.903 N/A HIS 151.A ND1 SER 205.A OG no hydrogen 2.912 N/A GLN 152.A N PHE 149.A O no hydrogen 3.133 N/A GLN 152.A NE2 PHE 149.A O no hydrogen 2.838 N/A GLN 152.A NE2 GLU 160.A OE2 no hydrogen 2.972 N/A ASN 156.A N GLN 152.A OE1 no hydrogen 3.055 N/A VAL 159.A N ASN 156.A OD1 no hydrogen 3.184 N/A GLU 160.A N ASN 156.A O no hydrogen 3.077 N/A SER 161.A N CYS 157.A O no hydrogen 2.890 N/A SER 161.A OG CYS 157.A O no hydrogen 3.484 N/A SER 161.A OG HIS 249.A ND1 no hydrogen 2.762 N/A LEU 162.A N LYS 158.A O no hydrogen 2.841 N/A ALA 163.A N VAL 159.A O no hydrogen 2.950 N/A MET 164.A N GLU 160.A O no hydrogen 3.178 N/A PHE 165.A N SER 161.A O no hydrogen 2.987 N/A LEU 166.A N LEU 162.A O no hydrogen 2.976 N/A GLY 167.A N ALA 163.A O no hydrogen 2.980 N/A GLU 168.A N MET 164.A O no hydrogen 2.912 N/A LEU 169.A N PHE 165.A O no hydrogen 2.946 N/A SER 170.A N LEU 166.A O no hydrogen 3.253 N/A SER 170.A OG GLY 167.A O no hydrogen 2.703 N/A LEU 171.A N GLU 168.A O no hydrogen 2.962 N/A ILE 172.A N LEU 169.A O no hydrogen 3.267 N/A TYR 177.A N ASP 173.A O no hydrogen 3.251 N/A TYR 177.A OH THR 227.A OG1 no hydrogen 2.613 N/A LEU 178.A N ALA 174.A O no hydrogen 2.928 N/A LYS 179.A N PRO 176.A O no hydrogen 3.123 N/A TYR 180.A N TYR 177.A O no hydrogen 3.191 N/A TYR 180.A OH ASP 223.A OD2 no hydrogen 2.617 N/A SER 183.A N GLU 20.A OE1 no hydrogen 2.947 N/A SER 183.A OG GLU 20.A OE1 no hydrogen 3.380 N/A SER 183.A OG GLU 20.A OE2 no hydrogen 2.509 N/A SER 183.A OG TYR 212.A OH no hydrogen 2.632 N/A VAL 184.A N LEU 181.A O no hydrogen 3.046 N/A ILE 185.A N LEU 181.A O no hydrogen 2.999 N/A ALA 186.A N PRO 182.A O no hydrogen 2.842 N/A ALA 187.A N SER 183.A O no hydrogen 3.087 N/A ALA 188.A N VAL 184.A O no hydrogen 2.934 N/A ALA 189.A N ILE 185.A O no hydrogen 2.803 N/A PHE 190.A N ALA 186.A O no hydrogen 2.851 N/A HIS 191.A N ALA 187.A O no hydrogen 2.934 N/A LEU 192.A N ALA 188.A O no hydrogen 2.897 N/A ALA 193.A N ALA 189.A O no hydrogen 2.919 N/A LEU 194.A N PHE 190.A O no hydrogen 2.931 N/A TYR 195.A N HIS 191.A O no hydrogen 2.895 N/A THR 196.A N LEU 192.A O no hydrogen 2.932 N/A THR 196.A OG1 LEU 192.A O no hydrogen 2.696 N/A VAL 197.A N ALA 193.A O no hydrogen 3.008 N/A THR 198.A N LEU 194.A O no hydrogen 2.815 N/A THR 198.A OG1 LEU 194.A O no hydrogen 2.713 N/A GLY 199.A N TYR 195.A O no hydrogen 3.057 N/A GLN 200.A N THR 198.A OG1 no hydrogen 3.292 N/A TRP 202.A N HIS 191.A ND1 no hydrogen 2.976 N/A TRP 202.A NE1 TYR 212.A O no hydrogen 2.879 N/A SER 205.A OG HIS 151.A ND1 no hydrogen 2.912 N/A LEU 206.A N PRO 203.A O no hydrogen 2.987 N/A VAL 207.A N PRO 203.A O no hydrogen 3.183 N/A GLN 208.A N GLU 204.A O no hydrogen 2.924 N/A GLN 208.A NE2 GLU 204.A OE2 no hydrogen 2.820 N/A LYS 209.A N SER 205.A O no hydrogen 3.095 N/A THR 210.A N LEU 206.A O no hydrogen 2.880 N/A THR 210.A OG1 LEU 206.A O no hydrogen 2.684 N/A GLY 211.A N VAL 207.A O no hydrogen 2.782 N/A TYR 212.A N THR 210.A OG1 no hydrogen 2.931 N/A TYR 212.A OH SER 183.A OG no hydrogen 2.632 N/A THR 213.A N THR 216.A OG1 no hydrogen 3.068 N/A THR 216.A N THR 213.A OG1 no hydrogen 3.386 N/A THR 216.A OG1 THR 213.A O no hydrogen 3.139 N/A LEU 217.A N THR 213.A O no hydrogen 2.927 N/A LYS 218.A N GLU 215.A O no hydrogen 3.377 N/A LEU 221.A N LEU 217.A O no hydrogen 2.874 N/A LEU 222.A N LYS 218.A O no hydrogen 2.779 N/A ASP 223.A N PRO 219.A O no hydrogen 3.117 N/A LEU 224.A N CYS 220.A O no hydrogen 2.708 N/A HIS 225.A N LEU 221.A O no hydrogen 2.767 N/A GLN 226.A N LEU 222.A O no hydrogen 3.288 N/A THR 227.A N ASP 223.A O no hydrogen 3.000 N/A THR 227.A OG1 TYR 177.A OH no hydrogen 2.613 N/A THR 227.A OG1 ASP 223.A O no hydrogen 3.287 N/A TYR 228.A N LEU 224.A O no hydrogen 2.874 N/A LEU 229.A N HIS 225.A O no hydrogen 2.936 N/A ARG 230.A N GLN 226.A O no hydrogen 2.921 N/A ARG 230.A N THR 227.A O no hydrogen 3.194 N/A ALA 231.A N TYR 228.A O no hydrogen 3.409 N/A GLN 233.A N ARG 230.A O no hydrogen 2.917 N/A GLN 233.A NE2 ARG 230.A O no hydrogen 3.623 N/A HIS 234.A N ALA 231.A O no hydrogen 3.303 N/A HIS 234.A NE2 ASP 173.A OD1 no hydrogen 2.760 N/A GLN 236.A N HIS 234.A ND1 no hydrogen 2.978 N/A GLN 237.A NE2 ALA 231.A O no hydrogen 2.918 N/A GLN 237.A NE2 HIS 234.A O no hydrogen 2.784 N/A SER 238.A N ASP 46.A OD1 no hydrogen 2.973 N/A SER 238.A OG ASP 46.A OD1 no hydrogen 3.367 N/A SER 238.A OG ASP 46.A OD2 no hydrogen 2.830 N/A ARG 240.A NH1 GLN 237.A OE1 no hydrogen 2.791 N/A GLU 241.A N GLN 237.A O no hydrogen 3.071 N/A LYS 242.A N SER 238.A O no hydrogen 2.916 N/A LYS 242.A NZ ASN 59.A OD1 no hydrogen 2.703 N/A LYS 242.A NZ GLU 168.A OE1 no hydrogen 3.122 N/A LYS 242.A NZ GLU 168.A OE2 no hydrogen 2.741 N/A TYR 243.A N ILE 239.A O no hydrogen 2.826 N/A TYR 243.A OH GLU 168.A OE1 no hydrogen 2.575 N/A LYS 244.A N GLU 241.A O no hydrogen 3.191 N/A LYS 244.A NZ GLU 241.A OE1 no hydrogen 2.941 N/A ASN 245.A N LYS 242.A O no hydrogen 3.287 N/A SER 246.A OG ASN 245.A OD1 no hydrogen 3.448 N/A LYS 247.A N ASN 245.A OD1 no hydrogen 2.810 N/A TYR 248.A N ASN 245.A O no hydrogen 2.954 N/A HIS 249.A N SER 246.A O no hydrogen 2.956 N/A HIS 249.A ND1 SER 161.A OG no hydrogen 2.762 N/A GLY 250.A N ASN 245.A O no hydrogen 3.129 N/A VAL 251.A N TYR 248.A O no hydrogen 3.276 N/A SER 252.A N TYR 243.A O no hydrogen 3.230 N/A SER 252.A OG ARG 240.A O no hydrogen 2.781 N/A LEU 253.A N GLY 250.A O no hydrogen 2.986 N/A LEU 254.A N VAL 251.A O no hydrogen 3.105 N/A