Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bun_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N GLY 63.A O no hydrogen 3.311 N/A VAL 9.A N ASP 5.A O no hydrogen 3.329 N/A GLU 10.A N LYS 6.A O no hydrogen 2.958 N/A LYS 11.A N LYS 7.A O no hydrogen 2.802 N/A CYS 12.A N MET 8.A O no hydrogen 3.127 N/A CYS 12.A SG MET 8.A O no hydrogen 3.839 N/A TRP 13.A N VAL 9.A O no hydrogen 2.944 N/A LYS 14.A N GLU 10.A O no hydrogen 3.115 N/A LEU 15.A N LYS 11.A O no hydrogen 3.010 N/A MET 16.A N CYS 12.A O no hydrogen 2.727 N/A ASP 17.A N TRP 13.A O no hydrogen 2.871 N/A LYS 18.A N LYS 14.A O no hydrogen 3.251 N/A VAL 19.A N LEU 15.A O no hydrogen 3.060 N/A VAL 20.A N MET 16.A O no hydrogen 2.913 N/A ARG 21.A N ASP 17.A O no hydrogen 2.987 N/A LEU 22.A N LYS 18.A O no hydrogen 3.005 N/A CYS 23.A N VAL 19.A O no hydrogen 2.987 N/A CYS 23.A SG VAL 19.A O no hydrogen 3.383 N/A GLN 24.A N ARG 21.A O no hydrogen 3.227 N/A LYS 27.A N ASN 25.A OD1 no hydrogen 2.867 N/A LEU 28.A N ASN 25.A O no hydrogen 2.968 N/A ALA 29.A N PRO 26.A O no hydrogen 3.286 N/A SER 33.A OG ASP 228.A OD2 no hydrogen 2.453 N/A ASP 39.A N TYR 36.A O no hydrogen 2.931 N/A LEU 40.A N TYR 36.A O no hydrogen 2.995 N/A LEU 41.A N ILE 37.A O no hydrogen 3.171 N/A ASP 43.A N ASP 39.A O no hydrogen 2.903 N/A THR 44.A N LEU 40.A O no hydrogen 2.809 N/A THR 44.A OG1 LEU 40.A O no hydrogen 2.844 N/A TYR 45.A N LEU 41.A O no hydrogen 2.868 N/A GLN 46.A N PRO 42.A O no hydrogen 2.897 N/A HIS 47.A N ASP 43.A O no hydrogen 2.976 N/A LEU 48.A N THR 44.A O no hydrogen 2.868 N/A ARG 49.A N TYR 45.A O no hydrogen 2.820 N/A THR 50.A N GLN 46.A O no hydrogen 3.006 N/A THR 50.A OG1 GLN 46.A O no hydrogen 3.249 N/A ILE 51.A N HIS 47.A O no hydrogen 2.936 N/A LEU 52.A N LEU 48.A O no hydrogen 2.943 N/A SER 53.A N ARG 49.A O no hydrogen 2.889 N/A SER 53.A OG THR 50.A O no hydrogen 2.577 N/A ARG 54.A N THR 50.A O no hydrogen 3.096 N/A ARG 54.A N ILE 51.A O no hydrogen 3.092 N/A TYR 55.A N LEU 52.A O no hydrogen 2.821 N/A THR 61.A N LYS 58.A O no hydrogen 3.172 N/A THR 61.A OG1 LYS 58.A O no hydrogen 3.444 N/A GLY 63.A N MET 59.A O no hydrogen 3.015 N/A GLU 64.A N GLU 60.A O no hydrogen 3.197 N/A GLU 64.A N THR 61.A O no hydrogen 3.135 N/A ASN 65.A N THR 61.A O no hydrogen 3.167 N/A ASN 65.A N LEU 62.A O no hydrogen 2.983 N/A TYR 67.A OH GLU 117.A OE1 no hydrogen 2.723 N/A PHE 68.A N ASN 65.A OD1 no hydrogen 2.793 N/A ARG 69.A N ASN 65.A O no hydrogen 2.940 N/A ARG 69.A NE PRO 1.A O no hydrogen 2.890 N/A ARG 69.A NH1 GLU 64.A O no hydrogen 2.979 N/A ARG 69.A NH2 PRO 1.A O no hydrogen 2.985 N/A VAL 70.A N GLU 66.A O no hydrogen 3.072 N/A PHE 71.A N TYR 67.A O no hydrogen 2.850 N/A MET 72.A N PHE 68.A O no hydrogen 2.976 N/A GLU 73.A N ARG 69.A O no hydrogen 3.000 N/A ASN 74.A N VAL 70.A O no hydrogen 2.938 N/A ASN 74.A ND2 THR 184.A O no hydrogen 3.139 N/A LEU 75.A N PHE 71.A O no hydrogen 2.784 N/A MET 76.A N MET 72.A O no hydrogen 3.002 N/A LYS 77.A N GLU 73.A O no hydrogen 3.011 N/A LYS 78.A N ASN 74.A O no hydrogen 2.691 N/A LYS 78.A NZ ASN 74.A OD1 no hydrogen 2.653 N/A LYS 78.A NZ CYS 185.A O no hydrogen 2.801 N/A THR 79.A N LEU 75.A O no hydrogen 3.002 N/A THR 79.A OG1 LEU 75.A O no hydrogen 3.076 N/A THR 79.A OG1 MET 76.A O no hydrogen 2.766 N/A LYS 80.A N MET 76.A O no hydrogen 3.066 N/A GLN 81.A N LYS 77.A O no hydrogen 2.991 N/A THR 82.A N LYS 78.A O no hydrogen 3.113 N/A THR 82.A OG1 LYS 78.A O no hydrogen 2.947 N/A ILE 83.A N THR 79.A O no hydrogen 3.077 N/A SER 84.A N LYS 80.A O no hydrogen 2.940 N/A SER 84.A OG LYS 80.A O no hydrogen 2.941 N/A LEU 85.A N GLN 81.A O no hydrogen 2.871 N/A PHE 86.A N THR 82.A O no hydrogen 3.260 N/A LYS 87.A N ILE 83.A O no hydrogen 3.143 N/A GLU 88.A N SER 84.A O no hydrogen 2.922 N/A GLY 89.A N LEU 85.A O no hydrogen 2.854 N/A LYS 90.A N PHE 86.A O no hydrogen 3.194 N/A LYS 90.A NZ LYS 87.A O no hydrogen 3.269 N/A ARG 92.A N GLY 89.A O no hydrogen 2.749 N/A MET 93.A N LYS 90.A O no hydrogen 3.300 N/A TYR 94.A N GLU 91.A O no hydrogen 3.324 N/A GLU 95.A N ARG 92.A O no hydrogen 3.051 N/A ASN 97.A N GLU 96.A OE1 no hydrogen 2.757 N/A SER 98.A N GLU 95.A O no hydrogen 2.914 N/A SER 98.A OG ARG 92.A O no hydrogen 2.640 N/A SER 98.A OG GLU 95.A O no hydrogen 2.814 N/A ARG 101.A NH1 LEU 28.A O no hydrogen 3.477 N/A ARG 101.A NH1 MET 93.A O no hydrogen 2.948 N/A ARG 101.A NH2 LEU 28.A O no hydrogen 2.739 N/A ARG 102.A N SER 98.A O no hydrogen 3.046 N/A ASN 103.A N GLN 99.A O no hydrogen 2.889 N/A LEU 104.A N PRO 100.A O no hydrogen 3.243 N/A THR 105.A N ARG 101.A O no hydrogen 3.142 N/A THR 105.A OG1 ARG 101.A O no hydrogen 3.390 N/A LYS 106.A N ARG 102.A O no hydrogen 2.959 N/A LEU 107.A N ASN 103.A O no hydrogen 3.013 N/A SER 108.A N LEU 104.A O no hydrogen 2.933 N/A SER 108.A OG LEU 104.A O no hydrogen 2.788 N/A LEU 109.A N THR 105.A O no hydrogen 3.004 N/A ILE 110.A N LYS 106.A O no hydrogen 2.814 N/A PHE 111.A N LEU 107.A O no hydrogen 2.648 N/A SER 112.A N SER 108.A O no hydrogen 2.990 N/A HIS 113.A N LEU 109.A O no hydrogen 3.021 N/A MET 114.A N ILE 110.A O no hydrogen 2.896 N/A LEU 115.A N PHE 111.A O no hydrogen 2.966 N/A ALA 116.A N SER 112.A O no hydrogen 3.032 N/A GLU 117.A N HIS 113.A O no hydrogen 2.881 N/A LEU 118.A N MET 114.A O no hydrogen 2.842 N/A LYS 119.A N LEU 115.A O no hydrogen 2.973 N/A GLY 120.A N ALA 116.A O no hydrogen 2.885 N/A ILE 121.A N GLU 117.A O no hydrogen 2.930 N/A PHE 122.A N LEU 118.A O no hydrogen 2.831 N/A GLY 125.A N PHE 122.A O no hydrogen 3.126 N/A PHE 127.A N TYR 55.A OH no hydrogen 2.921 N/A GLN 128.A N ILE 121.A O no hydrogen 2.752 N/A THR 131.A N GLN 128.A O no hydrogen 2.998 N/A THR 131.A OG1 GLN 128.A O no hydrogen 3.088 N/A PHE 132.A N GLY 129.A O no hydrogen 3.062 N/A THR 135.A N ASP 195.A OD1 no hydrogen 2.739 N/A THR 135.A OG1 ASP 195.A OD1 no hydrogen 3.225 N/A THR 135.A OG1 ASP 195.A OD2 no hydrogen 3.466 N/A LYS 136.A NZ GLN 202.A OE1 no hydrogen 2.901 N/A ALA 140.A N LYS 136.A O no hydrogen 2.830 N/A GLU 141.A N ALA 137.A O no hydrogen 2.999 N/A PHE 142.A N ASP 138.A O no hydrogen 3.094 N/A TRP 143.A N ALA 139.A O no hydrogen 3.044 N/A TRP 143.A NE1 LYS 150.A O no hydrogen 3.187 N/A ARG 144.A N ALA 140.A O no hydrogen 3.108 N/A ARG 144.A NE GLU 141.A OE2 no hydrogen 3.016 N/A LYS 145.A N GLU 141.A O no hydrogen 2.934 N/A ALA 146.A N PHE 142.A O no hydrogen 3.123 N/A PHE 147.A N TRP 143.A O no hydrogen 2.666 N/A GLY 148.A N ARG 144.A O no hydrogen 2.898 N/A LYS 150.A N PHE 147.A O no hydrogen 3.126 N/A VAL 153.A N ILE 189.A O no hydrogen 3.047 N/A TRP 155.A N ASP 187.A O no hydrogen 3.134 N/A PHE 158.A N PRO 154.A O no hydrogen 2.779 N/A ARG 159.A N TRP 155.A O no hydrogen 2.616 N/A GLN 160.A N LYS 156.A O no hydrogen 2.996 N/A ALA 161.A N SER 157.A O no hydrogen 3.324 N/A LEU 162.A N PHE 158.A O no hydrogen 2.933 N/A HIS 163.A N ARG 159.A O no hydrogen 2.861 N/A GLU 164.A N GLN 160.A O no hydrogen 3.272 N/A VAL 165.A N LEU 162.A O no hydrogen 2.876 N/A HIS 166.A N LEU 162.A O no hydrogen 2.553 N/A SER 169.A N GLU 173.A OE2 no hydrogen 3.394 N/A GLU 173.A N SER 170.A OG no hydrogen 3.108 N/A ALA 174.A N SER 170.A O no hydrogen 3.034 N/A MET 175.A N GLY 171.A O no hydrogen 3.030 N/A ALA 176.A N LEU 172.A O no hydrogen 3.011 N/A LEU 177.A N GLU 173.A O no hydrogen 2.815 N/A LYS 178.A N ALA 174.A O no hydrogen 2.913 N/A LYS 178.A NZ ASP 187.A OD1 no hydrogen 2.592 N/A SER 179.A N MET 175.A O no hydrogen 3.130 N/A SER 179.A OG MET 175.A O no hydrogen 3.563 N/A SER 179.A OG ALA 176.A O no hydrogen 2.801 N/A THR 180.A N ALA 176.A O no hydrogen 3.144 N/A THR 180.A OG1 ALA 176.A O no hydrogen 2.969 N/A ILE 181.A N LEU 177.A O no hydrogen 2.889 N/A ASP 182.A N LYS 178.A O no hydrogen 2.803 N/A LEU 183.A N ILE 181.A O no hydrogen 2.781 N/A THR 184.A N GLU 193.A OE2 no hydrogen 2.919 N/A THR 184.A OG1 GLU 193.A OE2 no hydrogen 2.840 N/A CYS 185.A N ASP 182.A O no hydrogen 2.919 N/A CYS 185.A SG ASP 182.A O no hydrogen 3.661 N/A ASN 186.A N ASP 182.A OD1 no hydrogen 3.152 N/A ASP 187.A N ASP 182.A OD2 no hydrogen 2.891 N/A TYR 188.A N ASN 186.A OD1 no hydrogen 2.914 N/A ILE 189.A N VAL 153.A O no hydrogen 2.782 N/A SER 190.A N GLU 193.A OE1 no hydrogen 2.893 N/A SER 190.A OG GLU 117.A OE2 no hydrogen 2.476 N/A SER 190.A OG GLU 193.A OE1 no hydrogen 3.408 N/A VAL 191.A N THR 151.A O no hydrogen 2.845 N/A GLU 193.A N SER 190.A OG no hydrogen 3.154 N/A PHE 194.A N SER 190.A O no hydrogen 2.835 N/A ASP 195.A N VAL 191.A O no hydrogen 2.903 N/A ILE 196.A N PHE 192.A O no hydrogen 2.973 N/A PHE 197.A N GLU 193.A O no hydrogen 2.982 N/A THR 198.A N PHE 194.A O no hydrogen 3.041 N/A THR 198.A OG1 PHE 194.A O no hydrogen 2.844 N/A THR 198.A OG1 ASP 195.A O no hydrogen 3.240 N/A ARG 199.A N ASP 195.A O no hydrogen 2.963 N/A ARG 199.A NH1 LEU 253.A O no hydrogen 3.310 N/A ARG 199.A NH2 ASP 195.A OD2 no hydrogen 3.290 N/A LEU 200.A N ILE 196.A O no hydrogen 2.974 N/A PHE 201.A N PHE 197.A O no hydrogen 2.951 N/A GLN 202.A NE2 ARG 199.A O no hydrogen 2.775 N/A SER 206.A N PRO 203.A O no hydrogen 3.179 N/A SER 206.A OG ASN 210.A OD1 no hydrogen 2.845 N/A LEU 207.A N TRP 204.A O no hydrogen 2.994 N/A ASN 210.A N SER 206.A O no hydrogen 2.921 N/A ASN 210.A ND2 PHE 201.A O no hydrogen 2.843 N/A ASN 210.A ND2 PRO 203.A O no hydrogen 2.919 N/A TRP 211.A N LEU 207.A O no hydrogen 3.059 N/A TRP 211.A NE1 THR 180.A OG1 no hydrogen 3.087 N/A ASN 212.A N LEU 208.A O no hydrogen 2.890 N/A SER 213.A N ARG 209.A O no hydrogen 2.991 N/A SER 213.A OG ARG 209.A O no hydrogen 3.232 N/A LEU 214.A N ASN 210.A O no hydrogen 2.961 N/A ALA 215.A N TRP 211.A O no hydrogen 2.932 N/A VAL 216.A N TRP 211.A O no hydrogen 3.220 N/A THR 217.A N ASN 212.A O no hydrogen 2.935 N/A THR 217.A OG1 ASN 212.A O no hydrogen 3.184 N/A GLY 220.A N HIS 218.A ND1 no hydrogen 2.844 N/A TYR 221.A N HIS 218.A O no hydrogen 3.326 N/A MET 222.A N PHE 246.A O no hydrogen 2.815 N/A THR 226.A N GLU 229.A OE1 no hydrogen 2.938 N/A THR 226.A OG1 GLU 229.A OE1 no hydrogen 3.556 N/A GLU 229.A N THR 226.A OG1 no hydrogen 3.236 N/A VAL 230.A N THR 226.A O no hydrogen 2.960 N/A LYS 231.A N TYR 227.A O no hydrogen 3.114 N/A ALA 232.A N ASP 228.A O no hydrogen 3.007 N/A ARG 233.A N GLU 229.A O no hydrogen 2.801 N/A ARG 233.A NE ASP 294.A OD1 no hydrogen 3.036 N/A ARG 233.A NH2 ASP 294.A OD2 no hydrogen 3.052 N/A LEU 234.A N VAL 230.A O no hydrogen 3.008 N/A GLN 235.A N ALA 232.A O no hydrogen 3.224 N/A LYS 236.A NZ ARG 233.A O no hydrogen 2.935 N/A PHE 237.A N LEU 234.A O no hydrogen 2.862 N/A ILE 238.A N GLN 235.A O no hydrogen 2.854 N/A LYS 240.A N PHE 237.A O no hydrogen 2.725 N/A LYS 240.A NZ GLY 295.A O no hydrogen 2.736 N/A GLY 242.A N VAL 261.A O no hydrogen 2.997 N/A SER 243.A N LYS 240.A O no hydrogen 3.157 N/A SER 243.A OG LYS 240.A O no hydrogen 2.828 N/A TYR 244.A N PHE 292.A O no hydrogen 3.046 N/A ILE 245.A N GLY 259.A O no hydrogen 2.962 N/A PHE 246.A N GLY 220.A O no hydrogen 2.916 N/A ARG 247.A N ALA 257.A O no hydrogen 3.004 N/A ARG 247.A NH1 LEU 248.A O no hydrogen 3.083 N/A SER 249.A N GLN 255.A O no hydrogen 2.947 N/A CYS 250.A SG SER 112.A OG no hydrogen 3.433 N/A ARG 252.A N SER 249.A OG no hydrogen 2.912 N/A GLN 255.A N ARG 252.A O no hydrogen 3.011 N/A TRP 256.A NE1 LEU 200.A O no hydrogen 2.974 N/A ALA 257.A N ARG 247.A O no hydrogen 2.914 N/A ILE 258.A N THR 270.A O no hydrogen 2.753 N/A GLY 259.A N ILE 245.A O no hydrogen 2.805 N/A TYR 260.A N LEU 268.A O no hydrogen 2.870 N/A VAL 261.A N SER 243.A O no hydrogen 2.905 N/A THR 262.A N ASN 266.A O no hydrogen 2.840 N/A THR 262.A OG1 ASP 264.A OD2 no hydrogen 2.835 N/A THR 262.A OG1 ASN 266.A O no hydrogen 3.421 N/A GLY 265.A N THR 262.A O no hydrogen 3.392 N/A ASN 266.A N THR 262.A OG1 no hydrogen 2.956 N/A LEU 268.A N TYR 260.A O no hydrogen 2.964 N/A THR 270.A N ILE 258.A O no hydrogen 2.854 N/A LYS 275.A NZ ASP 283.A OD2 no hydrogen 2.641 N/A GLN 279.A NE2 ASP 283.A OD1 no hydrogen 2.633 N/A GLN 279.A NE2 ASP 283.A OD2 no hydrogen 3.319 N/A ALA 280.A N PRO 276.A O no hydrogen 3.106 N/A LEU 281.A N LEU 277.A O no hydrogen 2.831 N/A ILE 282.A N PHE 278.A O no hydrogen 2.999 N/A ASP 283.A N GLN 279.A O no hydrogen 2.824 N/A GLY 284.A N ALA 280.A O no hydrogen 2.803 N/A PHE 285.A N LEU 281.A O no hydrogen 2.955 N/A ARG 286.A N ILE 282.A O no hydrogen 3.125 N/A GLU 287.A N ASP 283.A O no hydrogen 2.913 N/A GLY 288.A N PHE 285.A O no hydrogen 2.915 N/A PHE 289.A N GLY 284.A O no hydrogen 2.879 N/A TYR 290.A N GLY 284.A O no hydrogen 3.072 N/A LEU 291.A N GLY 242.A O no hydrogen 2.826 N/A PHE 292.A N GLY 242.A O no hydrogen 2.944 N/A ASP 294.A N TYR 244.A O no hydrogen 2.820 N/A GLY 295.A N PHE 292.A O no hydrogen 2.905 N/A ARG 296.A N PRO 293.A O no hydrogen 2.923 N/A ASN 299.A ND2 TYR 244.A OH no hydrogen 2.541 N/A THR 303.A N ASP 301.A OD1 no hydrogen 3.266 N/A GLY 304.A N LEU 302.A O no hydrogen 2.754 N/A