Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bht_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 6.A N MET 3.A O no hydrogen 3.400 N/A GLN 7.A N ARG 24.A O no hydrogen 2.829 N/A GLN 7.A NE2 LYS 8.A O no hydrogen 3.202 N/A LYS 8.A NZ TYR 77.A OH no hydrogen 3.537 N/A VAL 9.A N LYS 22.A O no hydrogen 2.662 N/A GLU 10.A N LYS 22.A O no hydrogen 3.444 N/A LYS 11.A NZ GLY 13.A O no hydrogen 3.075 N/A LYS 11.A NZ GLU 14.A OE1 no hydrogen 3.027 N/A ILE 12.A N VAL 20.A O no hydrogen 2.829 N/A GLY 13.A N VAL 20.A O no hydrogen 3.274 N/A GLY 15.A N GLY 18.A O no hydrogen 3.081 N/A VAL 19.A N LYS 36.A O no hydrogen 3.425 N/A VAL 20.A N GLY 13.A O no hydrogen 2.963 N/A TYR 21.A N LEU 34.A O no hydrogen 2.885 N/A LYS 22.A N GLU 10.A O no hydrogen 2.798 N/A ALA 23.A N VAL 32.A O no hydrogen 2.920 N/A ARG 24.A N GLN 7.A O no hydrogen 2.870 N/A ASN 25.A N GLU 30.A O no hydrogen 2.746 N/A LYS 26.A N ASN 5.A O no hydrogen 2.757 N/A LEU 27.A N ASN 25.A OD1 no hydrogen 2.992 N/A THR 28.A N ASN 25.A OD1 no hydrogen 3.196 N/A GLY 29.A N ASN 25.A O no hydrogen 2.943 N/A GLU 30.A N THR 28.A OG1 no hydrogen 3.272 N/A VAL 32.A N ALA 23.A O no hydrogen 2.843 N/A ALA 33.A N PHE 80.A O no hydrogen 2.855 N/A LEU 34.A N TYR 21.A O no hydrogen 2.742 N/A LYS 35.A N LEU 78.A O no hydrogen 2.901 N/A LYS 35.A NZ GLU 51.A OE1 no hydrogen 2.721 N/A LYS 35.A NZ GLU 51.A OE2 no hydrogen 3.258 N/A LYS 35.A NZ ASP 145.A OD1 no hydrogen 3.534 N/A LYS 36.A N VAL 19.A O no hydrogen 2.887 N/A LYS 36.A NZ TYR 77.A OH no hydrogen 3.329 N/A ILE 37.A N LEU 76.A O no hydrogen 2.636 N/A GLY 43.A N ASP 40.A OD1 no hydrogen 3.092 N/A ILE 49.A N PRO 45.A O no hydrogen 2.986 N/A ARG 50.A N SER 46.A O no hydrogen 2.878 N/A GLU 51.A N THR 47.A O no hydrogen 2.940 N/A ILE 52.A N ALA 48.A O no hydrogen 2.954 N/A SER 53.A N ILE 49.A O no hydrogen 3.098 N/A SER 53.A OG ILE 49.A O no hydrogen 2.950 N/A SER 53.A OG ARG 50.A O no hydrogen 3.447 N/A LEU 54.A N ARG 50.A O no hydrogen 3.100 N/A LEU 55.A N GLU 51.A O no hydrogen 2.925 N/A LYS 56.A N ILE 52.A O no hydrogen 3.019 N/A GLU 57.A N LEU 54.A O no hydrogen 3.212 N/A LEU 58.A N LEU 54.A O no hydrogen 3.186 N/A ASN 62.A ND2 GLN 110.A OE1 no hydrogen 2.843 N/A ASN 62.A ND2 ILE 141.A O no hydrogen 3.073 N/A ILE 63.A N HIS 60.A O no hydrogen 3.127 N/A VAL 64.A N LEU 143.A O no hydrogen 2.911 N/A LYS 65.A N GLU 81.A OE2 no hydrogen 2.760 N/A LEU 67.A N VAL 79.A O no hydrogen 2.547 N/A ASP 68.A N VAL 79.A O no hydrogen 3.329 N/A VAL 69.A N ASP 68.A OD1 no hydrogen 2.914 N/A ILE 70.A N TYR 77.A O no hydrogen 2.775 N/A THR 72.A N LYS 75.A O no hydrogen 3.008 N/A LEU 76.A N ILE 37.A O no hydrogen 3.191 N/A TYR 77.A N ILE 70.A O no hydrogen 2.888 N/A LEU 78.A N LYS 35.A O no hydrogen 2.822 N/A VAL 79.A N ASP 68.A O no hydrogen 2.835 N/A PHE 80.A N ALA 33.A O no hydrogen 2.827 N/A GLU 81.A N LYS 65.A O no hydrogen 3.127 N/A GLN 85.A N ILE 135.A O no hydrogen 3.255 N/A LEU 87.A N LEU 133.A O no hydrogen 2.829 N/A LYS 88.A NZ ASP 92.A OD1 no hydrogen 3.114 N/A LYS 89.A N ASP 86.A OD1 no hydrogen 2.957 N/A PHE 90.A N ASP 86.A O no hydrogen 3.096 N/A MET 91.A N LEU 87.A O no hydrogen 2.861 N/A ASP 92.A N LYS 88.A O no hydrogen 3.094 N/A ALA 93.A N LYS 89.A O no hydrogen 2.916 N/A SER 94.A N PHE 90.A O no hydrogen 2.963 N/A SER 94.A N MET 91.A O no hydrogen 3.278 N/A SER 94.A OG PHE 90.A O no hydrogen 2.999 N/A ALA 95.A N ASP 92.A O no hydrogen 3.418 N/A GLY 98.A N SER 94.A O no hydrogen 2.774 N/A LEU 103.A N PRO 100.A O no hydrogen 3.058 N/A ILE 104.A N PRO 100.A O no hydrogen 3.095 N/A LYS 105.A N LEU 101.A O no hydrogen 2.862 N/A LYS 105.A NZ ASP 287.A OD1 no hydrogen 2.875 N/A SER 106.A N PRO 102.A O no hydrogen 2.955 N/A TYR 107.A N LEU 103.A O no hydrogen 2.844 N/A LEU 108.A N ILE 104.A O no hydrogen 2.896 N/A PHE 109.A N LYS 105.A O no hydrogen 3.016 N/A GLN 110.A N SER 106.A O no hydrogen 2.997 N/A GLN 110.A NE2 SER 106.A O no hydrogen 3.436 N/A GLN 110.A NE2 SER 106.A OG no hydrogen 3.051 N/A GLN 110.A NE2 GLY 139.A O no hydrogen 2.944 N/A LEU 111.A N TYR 107.A O no hydrogen 2.876 N/A LEU 112.A N LEU 108.A O no hydrogen 2.886 N/A GLN 113.A N PHE 109.A O no hydrogen 3.060 N/A GLY 114.A N GLN 110.A O no hydrogen 2.981 N/A LEU 115.A N LEU 111.A O no hydrogen 2.858 N/A ALA 116.A N LEU 112.A O no hydrogen 2.855 N/A PHE 117.A N GLN 113.A O no hydrogen 3.080 N/A CYS 118.A N GLY 114.A O no hydrogen 3.107 N/A CYS 118.A SG GLY 114.A O no hydrogen 3.513 N/A HIS 119.A N LEU 115.A O no hydrogen 2.905 N/A HIS 119.A ND1 VAL 123.A O no hydrogen 3.269 N/A SER 120.A N ALA 116.A O no hydrogen 2.832 N/A SER 120.A OG ALA 116.A O no hydrogen 3.170 N/A HIS 121.A N CYS 118.A O no hydrogen 2.868 N/A HIS 121.A ND1 PHE 117.A O no hydrogen 2.708 N/A ARG 122.A N HIS 119.A O no hydrogen 3.191 N/A ARG 122.A NH1 GLU 57.A OE1 no hydrogen 2.897 N/A ARG 122.A NH1 HIS 121.A O no hydrogen 2.821 N/A ARG 122.A NH2 GLU 57.A OE1 no hydrogen 3.072 N/A ARG 122.A NH2 GLU 57.A OE2 no hydrogen 3.070 N/A VAL 123.A N CYS 118.A O no hydrogen 2.992 N/A LEU 124.A N ARG 150.A O no hydrogen 2.890 N/A HIS 125.A N ASP 184.A OD2 no hydrogen 2.892 N/A HIS 125.A NE2 ALA 144.A O no hydrogen 2.928 N/A ARG 126.A N ASP 184.A OD1 no hydrogen 2.899 N/A ARG 126.A NE LEU 148.A O no hydrogen 2.859 N/A ARG 126.A NH1 TYR 179.A OH no hydrogen 2.848 N/A ARG 126.A NH2 LEU 148.A O no hydrogen 2.949 N/A ASP 127.A N HIS 125.A ND1 no hydrogen 3.064 N/A LYS 129.A NZ THR 164.A OG1 no hydrogen 3.117 N/A GLN 131.A N GLN 131.A OE1 no hydrogen 2.816 N/A ASN 132.A N LYS 129.A O no hydrogen 2.894 N/A ASN 132.A ND2 ASP 127.A O no hydrogen 2.855 N/A ASN 132.A ND2 ASP 127.A OD2 no hydrogen 3.499 N/A LEU 133.A N PRO 130.A O no hydrogen 3.181 N/A LEU 134.A N LYS 142.A O no hydrogen 2.831 N/A ILE 135.A N GLN 85.A O no hydrogen 2.778 N/A ASN 136.A N ALA 140.A O no hydrogen 3.219 N/A GLU 138.A N ASN 136.A OD1 no hydrogen 2.954 N/A GLY 139.A N ASN 136.A O no hydrogen 3.498 N/A ALA 140.A N ASN 136.A OD1 no hydrogen 2.992 N/A ILE 141.A N GLN 110.A OE1 no hydrogen 3.130 N/A LYS 142.A N LEU 134.A O no hydrogen 2.757 N/A LYS 142.A NZ PRO 61.A O no hydrogen 3.341 N/A LYS 142.A NZ GLU 81.A OE1 no hydrogen 2.897 N/A LYS 142.A NZ GLU 81.A OE2 no hydrogen 3.128 N/A LEU 143.A N ASN 62.A O no hydrogen 2.958 N/A ALA 144.A N ASN 132.A O no hydrogen 2.950 N/A PHE 146.A N GLU 51.A OE2 no hydrogen 2.766 N/A GLY 147.A N ASP 145.A OD1 no hydrogen 3.161 N/A ALA 149.A N PHE 146.A O no hydrogen 3.115 N/A ARG 150.A N LEU 124.A O no hydrogen 3.065 N/A PHE 152.A N ARG 122.A O no hydrogen 2.773 N/A GLY 153.A N TYR 159.A OH no hydrogen 3.161 N/A ARG 157.A N TYR 159.A OH no hydrogen 3.235 N/A THR 158.A OG1 LYS 177.A O no hydrogen 2.803 N/A HIS 160.A NE2 ILE 172.A O no hydrogen 3.032 N/A THR 164.A N ASP 127.A OD1 no hydrogen 2.987 N/A THR 164.A OG1 ASP 127.A OD1 no hydrogen 2.613 N/A TRP 166.A NE1 GLY 204.A O no hydrogen 2.807 N/A TYR 167.A N THR 164.A O no hydrogen 2.861 N/A TYR 167.A OH GLU 194.A OE1 no hydrogen 2.572 N/A TYR 167.A OH GLU 194.A OE2 no hydrogen 3.421 N/A ARG 168.A N LEU 165.A O no hydrogen 3.172 N/A ARG 168.A NE VAL 163.A O no hydrogen 2.975 N/A ARG 168.A NH2 VAL 163.A O no hydrogen 2.965 N/A GLU 171.A N GLU 171.A OE1 no hydrogen 2.768 N/A ILE 172.A N ALA 169.A O no hydrogen 3.093 N/A LEU 173.A N ALA 169.A O no hydrogen 3.138 N/A LEU 174.A N PRO 170.A O no hydrogen 2.811 N/A GLY 175.A N ILE 172.A O no hydrogen 2.962 N/A CYS 176.A N GLU 171.A O no hydrogen 3.001 N/A CYS 176.A SG.A GLU 171.A O no hydrogen 3.474 N/A CYS 176.A SG.B TYR 178.A O no hydrogen 3.128 N/A LYS 177.A NZ TYR 178.A OH no hydrogen 3.415 N/A VAL 183.A N SER 180.A O no hydrogen 3.126 N/A ASP 184.A N THR 181.A O no hydrogen 3.041 N/A TRP 186.A N ALA 182.A O no hydrogen 2.982 N/A SER 187.A N VAL 183.A O no hydrogen 3.296 N/A SER 187.A OG TYR 167.A O no hydrogen 2.757 N/A SER 187.A OG VAL 183.A O no hydrogen 3.231 N/A LEU 188.A N ASP 184.A O no hydrogen 2.995 N/A GLY 189.A N ILE 185.A O no hydrogen 2.871 N/A CYS 190.A N TRP 186.A O no hydrogen 3.042 N/A CYS 190.A SG TRP 166.A O no hydrogen 4.016 N/A CYS 190.A SG TRP 186.A O no hydrogen 3.535 N/A ILE 191.A N SER 187.A O no hydrogen 2.997 N/A PHE 192.A N LEU 188.A O no hydrogen 2.834 N/A ALA 193.A N GLY 189.A O no hydrogen 3.104 N/A GLU 194.A N CYS 190.A O no hydrogen 2.972 N/A MET 195.A N ILE 191.A O no hydrogen 2.841 N/A VAL 196.A N PHE 192.A O no hydrogen 3.298 N/A THR 197.A N ALA 193.A O no hydrogen 3.021 N/A THR 197.A OG1 ALA 193.A O no hydrogen 3.232 N/A THR 197.A OG1 ARG 199.A O no hydrogen 2.952 N/A ARG 198.A N GLU 194.A O no hydrogen 2.551 N/A ARG 199.A N THR 197.A OG1 no hydrogen 3.028 N/A GLY 204.A N PHE 202.A O no hydrogen 3.000 N/A GLY 204.A N GLN 210.A OE1 no hydrogen 2.822 N/A ASP 205.A N ASP 209.A OD2 no hydrogen 3.203 N/A ASP 209.A N SER 206.A OG no hydrogen 3.061 N/A GLN 210.A N SER 206.A O no hydrogen 2.849 N/A GLN 210.A NE2 TRP 166.A O no hydrogen 3.299 N/A GLN 210.A NE2 PHE 202.A O no hydrogen 2.953 N/A LEU 211.A N GLU 207.A O no hydrogen 2.931 N/A PHE 212.A N ILE 208.A O no hydrogen 2.898 N/A ARG 213.A N ASP 209.A O no hydrogen 2.882 N/A ARG 213.A NE ASP 209.A OD2 no hydrogen 3.076 N/A ILE 214.A N GLN 210.A O no hydrogen 3.094 N/A PHE 215.A N LEU 211.A O no hydrogen 2.870 N/A ARG 216.A N PHE 212.A O no hydrogen 2.912 N/A THR 217.A N ILE 214.A O no hydrogen 3.020 N/A THR 217.A OG1 ARG 213.A O no hydrogen 3.173 N/A LEU 218.A N ILE 214.A O no hydrogen 2.865 N/A THR 220.A N TRP 242.A O no hydrogen 2.906 N/A THR 220.A OG1 PRO 240.A O no hydrogen 2.694 N/A VAL 225.A N ASP 222.A OD1 no hydrogen 2.965 N/A TRP 226.A N ASP 222.A O no hydrogen 2.893 N/A GLY 228.A N GLU 223.A OE1 no hydrogen 2.744 N/A VAL 229.A N TRP 226.A O no hydrogen 3.038 N/A THR 230.A N GLU 223.A OE2 no hydrogen 2.982 N/A THR 230.A OG1 GLU 223.A OE2 no hydrogen 2.548 N/A SER 231.A N GLY 228.A O no hydrogen 3.077 N/A MET 232.A N VAL 229.A O no hydrogen 3.296 N/A ASP 234.A N LEU 174.A O no hydrogen 2.959 N/A TYR 235.A N MET 232.A O no hydrogen 3.080 N/A PHE 239.A N LYS 236.A O no hydrogen 2.956 N/A TRP 242.A N THR 220.A OG1 no hydrogen 2.822 N/A ARG 244.A NH1 LEU 218.A O no hydrogen 3.030 N/A SER 248.A N ASP 246.A OD1 no hydrogen 3.133 N/A SER 248.A OG ASP 246.A OD1 no hydrogen 2.712 N/A LYS 249.A N ASP 246.A O no hydrogen 3.017 N/A LYS 249.A NZ ASP 246.A OD2 no hydrogen 3.491 N/A LYS 249.A NZ SER 248.A OG no hydrogen 3.305 N/A VAL 250.A N PHE 247.A O no hydrogen 3.329 N/A LEU 254.A N VAL 251.A O no hydrogen 3.079 N/A GLY 258.A N ASP 255.A OD1 no hydrogen 2.655 N/A ARG 259.A N ASP 255.A O no hydrogen 2.854 N/A ARG 259.A NH1 LEU 254.A O no hydrogen 2.827 N/A SER 260.A N GLU 256.A O no hydrogen 2.954 N/A SER 260.A OG GLN 264.A OE1 no hydrogen 3.178 N/A SER 260.A OG HIS 282.A NE2 no hydrogen 2.924 N/A LEU 261.A N ASP 257.A O no hydrogen 3.043 N/A LEU 262.A N GLY 258.A O no hydrogen 2.888 N/A SER 263.A N ARG 259.A O no hydrogen 2.892 N/A SER 263.A OG ARG 259.A O no hydrogen 3.280 N/A SER 263.A OG SER 260.A O no hydrogen 2.567 N/A GLN 264.A N SER 260.A O no hydrogen 3.117 N/A MET 265.A N LEU 261.A O no hydrogen 2.961 N/A LEU 266.A N LEU 262.A O no hydrogen 2.993 N/A TYR 268.A OH GLY 219.A O no hydrogen 2.594 N/A ASN 271.A N ASP 269.A OD1 no hydrogen 2.968 N/A LYS 272.A N ASP 269.A O no hydrogen 2.887 N/A LYS 272.A NZ ASP 269.A OD2 no hydrogen 3.354 N/A ARG 273.A N ASP 269.A O no hydrogen 2.998 N/A ARG 273.A NE HIS 267.A O no hydrogen 2.776 N/A ARG 273.A NH1 GLU 171.A OE1 no hydrogen 3.358 N/A ARG 273.A NH1 GLU 171.A OE2 no hydrogen 2.722 N/A ARG 273.A NH1 ALA 182.A O no hydrogen 2.841 N/A ARG 273.A NH2 GLU 171.A OE1 no hydrogen 2.797 N/A ARG 273.A NH2 HIS 267.A O no hydrogen 3.171 N/A ARG 273.A NH2 TYR 268.A O no hydrogen 2.961 N/A ILE 274.A N GLN 264.A O no hydrogen 3.000 N/A ALA 278.A N SER 275.A OG no hydrogen 3.010 N/A ALA 279.A N SER 275.A O no hydrogen 2.945 N/A LEU 280.A N ALA 276.A O no hydrogen 3.256 N/A ALA 281.A N ALA 278.A O no hydrogen 3.183 N/A HIS 282.A N ALA 279.A O no hydrogen 2.939 N/A HIS 282.A NE2 SER 260.A OG no hydrogen 2.924 N/A PHE 284.A N HIS 282.A ND1 no hydrogen 2.958 N/A PHE 285.A N HIS 282.A O no hydrogen 2.913 N/A GLN 286.A N PRO 283.A O no hydrogen 3.097 N/A GLN 286.A NE2 PRO 283.A O no hydrogen 2.845 N/A VAL 288.A N PHE 285.A O no hydrogen 3.127 N/A