Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8atl_BBB.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A N LEU 70.A O no hydrogen 3.370 N/A PHE 4.A N PHE 72.A O no hydrogen 2.930 N/A SER 5.A N GLU 8.A OE2 no hydrogen 2.821 N/A PHE 6.A N ASP 75.A OD2 no hydrogen 3.230 N/A LYS 10.A N PHE 6.A O no hydrogen 2.720 N/A LYS 10.A N TYR 7.A O no hydrogen 3.051 N/A LYS 10.A NZ ASN 15.A O no hydrogen 3.374 N/A ASN 11.A N TYR 7.A O no hydrogen 2.938 N/A THR 13.A OG1 LEU 9.A O no hydrogen 2.525 N/A THR 13.A OG1 LYS 10.A O no hydrogen 3.445 N/A ASN 15.A N LYS 10.A O no hydrogen 2.696 N/A PHE 16.A N THR 13.A OG1 no hydrogen 3.249 N/A ASP 17.A N THR 13.A O no hydrogen 2.973 N/A ARG 19.A N ASP 17.A OD1 no hydrogen 3.358 N/A ARG 19.A NH1 ASP 17.A OD1 no hydrogen 3.079 N/A ILE 21.A N LYS 25.A O no hydrogen 3.255 N/A ASN 24.A ND2 VAL 12.A O no hydrogen 3.686 N/A LYS 25.A N ARG 19.A O no hydrogen 2.965 N/A LYS 25.A NZ GLU 28.A OE1 no hydrogen 3.007 N/A MET 26.A N VAL 31.A O no hydrogen 2.977 N/A VAL 30.A N LYS 45.A O no hydrogen 3.036 N/A VAL 31.A N GLY 27.A O no hydrogen 3.100 N/A TYR 32.A N VAL 43.A O no hydrogen 2.875 N/A LYS 33.A N ASN 24.A O no hydrogen 3.088 N/A GLY 34.A N VAL 41.A O no hydrogen 2.888 N/A THR 39.A N VAL 36.A O no hydrogen 3.032 N/A VAL 41.A N GLY 34.A O no hydrogen 2.672 N/A ALA 42.A N TYR 81.A O no hydrogen 2.999 N/A VAL 43.A N TYR 32.A O no hydrogen 2.798 N/A LYS 44.A N LEU 79.A O no hydrogen 2.707 N/A LYS 44.A NZ GLU 54.A OE1 no hydrogen 2.848 N/A LYS 45.A N VAL 30.A O no hydrogen 2.823 N/A LEU 46.A N LEU 77.A O no hydrogen 3.002 N/A LYS 48.A NZ LYS 48.A O no hydrogen 3.312 N/A GLN 50.A NE2 GLN 50.A O no hydrogen 3.323 N/A PHE 51.A N LEU 47.A O no hydrogen 2.717 N/A ASP 52.A N LYS 48.A O no hydrogen 3.465 N/A GLN 53.A NE2 PHE 149.A O no hydrogen 3.169 N/A GLU 54.A N GLN 50.A O no hydrogen 3.270 N/A ILE 55.A N PHE 51.A O no hydrogen 3.268 N/A LYS 56.A N ASP 52.A O no hydrogen 2.924 N/A VAL 57.A N GLN 53.A O no hydrogen 2.841 N/A MET 58.A N GLU 54.A O no hydrogen 2.832 N/A LYS 60.A N LYS 56.A O no hydrogen 3.299 N/A CYS 61.A N VAL 57.A O no hydrogen 2.909 N/A ASN 65.A ND2 ALA 144.A O no hydrogen 2.916 N/A LEU 66.A N HIS 63.A O no hydrogen 2.952 N/A VAL 67.A N ILE 146.A O no hydrogen 3.064 N/A LEU 70.A N VAL 80.A O no hydrogen 2.844 N/A GLY 71.A N VAL 80.A O no hydrogen 3.264 N/A SER 73.A N CYS 78.A O no hydrogen 2.850 N/A SER 73.A OG PHE 4.A O no hydrogen 2.710 N/A SER 73.A OG ASP 75.A OD1 no hydrogen 2.781 N/A CYS 78.A N SER 73.A O no hydrogen 2.863 N/A LEU 79.A N LYS 44.A O no hydrogen 2.892 N/A VAL 80.A N GLY 71.A O no hydrogen 2.907 N/A TYR 81.A N ALA 42.A O no hydrogen 2.839 N/A TYR 81.A OH GLU 54.A OE2 no hydrogen 2.662 N/A VAL 82.A N GLU 68.A O no hydrogen 3.069 N/A ASN 86.A N LEU 138.A O no hydrogen 2.989 N/A ASN 86.A ND2 ASP 139.A O no hydrogen 2.946 N/A ASN 86.A ND2 GLU 140.A O no hydrogen 3.469 N/A GLY 87.A N MET 84.A O no hydrogen 2.980 N/A LEU 89.A N ILE 136.A O no hydrogen 2.845 N/A LEU 90.A N SER 133.A O no hydrogen 3.352 N/A ASP 91.A N SER 88.A OG no hydrogen 3.158 N/A ARG 92.A N SER 88.A O no hydrogen 3.111 N/A ARG 92.A NE THR 99.A OG1 no hydrogen 2.929 N/A ARG 92.A NH1 ASN 86.A O no hydrogen 2.786 N/A ARG 92.A NH2 LEU 96.A O no hydrogen 2.874 N/A LEU 93.A N LEU 89.A O no hydrogen 2.845 N/A SER 94.A N LEU 90.A O no hydrogen 3.004 N/A SER 94.A OG LEU 90.A O no hydrogen 3.468 N/A SER 94.A OG ASP 91.A O no hydrogen 3.251 N/A CYS 95.A N ARG 92.A O no hydrogen 3.345 N/A CYS 95.A SG ARG 92.A O no hydrogen 3.750 N/A LEU 96.A N ASP 91.A O no hydrogen 2.820 N/A GLY 98.A N CYS 95.A O no hydrogen 3.148 N/A THR 99.A OG1 LEU 96.A O no hydrogen 3.462 N/A TRP 104.A N ASP 230.A OD1 no hydrogen 2.849 N/A TRP 104.A NE1 SER 235.A OG no hydrogen 3.055 N/A HIS 105.A N ASP 230.A OD2 no hydrogen 3.129 N/A MET 106.A N SER 103.A OG no hydrogen 3.004 N/A ARG 107.A N SER 103.A O no hydrogen 2.973 N/A ARG 107.A NE LEU 102.A O no hydrogen 2.897 N/A ARG 107.A NH1 ILE 190.A O no hydrogen 2.809 N/A ARG 107.A NH1 ASP 225.A OD2 no hydrogen 2.828 N/A ARG 107.A NH2 LEU 102.A O no hydrogen 2.973 N/A ARG 107.A NH2 ASP 225.A OD2 no hydrogen 2.907 N/A CYS 108.A N TRP 104.A O no hydrogen 2.943 N/A CYS 108.A SG TRP 104.A O no hydrogen 3.477 N/A LYS 109.A N HIS 105.A O no hydrogen 3.282 N/A LYS 109.A NZ ALA 141.A O no hydrogen 3.168 N/A ILE 110.A N MET 106.A O no hydrogen 2.929 N/A ALA 111.A N ARG 107.A O no hydrogen 2.951 N/A GLN 112.A N CYS 108.A O no hydrogen 3.026 N/A GLN 112.A NE2 LEU 264.A O no hydrogen 2.806 N/A GLN 112.A NE2 THR 268.A OG1 no hydrogen 3.030 N/A GLY 113.A N LYS 109.A O no hydrogen 2.960 N/A ALA 114.A N ILE 110.A O no hydrogen 2.876 N/A ALA 115.A N ALA 111.A O no hydrogen 2.962 N/A ASN 116.A N GLN 112.A O no hydrogen 2.990 N/A ASN 116.A ND2 ASN 65.A OD1 no hydrogen 3.309 N/A GLY 117.A N GLY 113.A O no hydrogen 2.993 N/A ILE 118.A N ALA 114.A O no hydrogen 3.040 N/A ASN 119.A N ALA 115.A O no hydrogen 2.926 N/A PHE 120.A N ASN 116.A O no hydrogen 3.081 N/A LEU 121.A N GLY 117.A O no hydrogen 3.271 N/A HIS 122.A N.A ILE 118.A O no hydrogen 2.975 N/A HIS 122.A N.B ILE 118.A O no hydrogen 2.969 N/A HIS 122.A NE2.A ASP 179.A OD2 no hydrogen 3.010 N/A GLU 123.A N ASN 119.A O no hydrogen 2.830 N/A ASN 124.A N PHE 120.A O no hydrogen 3.157 N/A ASN 124.A ND2 PHE 120.A O no hydrogen 2.906 N/A HIS 125.A N HIS 122.A O.A no hydrogen 3.112 N/A HIS 125.A N HIS 122.A O.B no hydrogen 3.014 N/A HIS 126.A N LEU 121.A O no hydrogen 2.847 N/A ILE 127.A N ARG 153.A O no hydrogen 3.052 N/A HIS 128.A N ASP 179.A OD2 no hydrogen 2.886 N/A HIS 128.A NE2 SER 147.A O no hydrogen 2.717 N/A ARG 129.A N ASP 179.A OD1 no hydrogen 3.023 N/A ARG 129.A NE LEU 151.A O no hydrogen 2.773 N/A ARG 129.A NH2 LEU 151.A O no hydrogen 3.332 N/A ASP 130.A N HIS 128.A ND1 no hydrogen 3.171 N/A LYS 132.A NZ THR 161.A OG1 no hydrogen 2.730 N/A SER 133.A OG TYR 164.A OH no hydrogen 3.054 N/A SER 133.A OG GLU 189.A OE1 no hydrogen 2.972 N/A SER 133.A OG GLU 189.A OE2 no hydrogen 2.871 N/A ASN 135.A N LYS 132.A O no hydrogen 3.065 N/A ASN 135.A ND2 ASP 130.A O no hydrogen 2.818 N/A ILE 136.A N SER 133.A O no hydrogen 3.255 N/A LEU 137.A N LYS 145.A O no hydrogen 2.949 N/A LEU 138.A N GLY 87.A O no hydrogen 2.682 N/A ASP 139.A N THR 143.A O no hydrogen 3.328 N/A ALA 141.A N ASP 139.A OD1 no hydrogen 2.979 N/A PHE 142.A N ASP 139.A O no hydrogen 2.789 N/A THR 143.A N ASP 139.A OD1 no hydrogen 3.044 N/A LYS 145.A N LEU 137.A O no hydrogen 2.725 N/A LYS 145.A NZ GLU 64.A O no hydrogen 2.855 N/A ILE 146.A N ASN 65.A O no hydrogen 2.875 N/A SER 147.A N ASN 135.A O no hydrogen 2.875 N/A SER 147.A OG ASN 135.A O no hydrogen 3.005 N/A SER 147.A OG ASP 148.A OD2 no hydrogen 3.223 N/A ALA 152.A N PHE 149.A O no hydrogen 3.439 N/A ARG 153.A N ILE 127.A O no hydrogen 3.059 N/A THR 161.A OG1 ASP 130.A OD1 no hydrogen 2.966 N/A TYR 164.A N THR 161.A O no hydrogen 2.846 N/A TYR 164.A OH SER 133.A OG no hydrogen 3.054 N/A TYR 164.A OH GLU 189.A OE1 no hydrogen 3.224 N/A TYR 164.A OH GLU 189.A OE2 no hydrogen 2.644 N/A MET 165.A N THR 162.A O no hydrogen 3.143 N/A GLU 168.A N GLU 168.A OE1 no hydrogen 3.126 N/A ALA 169.A N ALA 166.A O no hydrogen 3.075 N/A LEU 170.A N ALA 166.A O no hydrogen 3.230 N/A ARG 171.A N PRO 167.A O no hydrogen 3.113 N/A GLY 172.A N ALA 169.A O no hydrogen 3.101 N/A GLU 173.A N GLU 168.A O no hydrogen 2.926 N/A ILE 174.A N VAL 155.A O no hydrogen 2.730 N/A LYS 177.A N THR 175.A OG1 no hydrogen 3.218 N/A SER 178.A N THR 175.A O no hydrogen 3.122 N/A SER 178.A OG GLU 168.A OE2 no hydrogen 2.876 N/A ILE 180.A N PRO 176.A O no hydrogen 3.391 N/A TYR 181.A N LYS 177.A O no hydrogen 3.313 N/A TYR 181.A OH GLU 249.A OE2 no hydrogen 3.074 N/A SER 182.A N SER 178.A O no hydrogen 3.099 N/A SER 182.A OG TYR 164.A O no hydrogen 2.724 N/A SER 182.A OG SER 178.A O no hydrogen 3.257 N/A PHE 183.A N ASP 179.A O no hydrogen 2.995 N/A GLY 184.A N ILE 180.A O no hydrogen 2.965 N/A VAL 185.A N TYR 181.A O no hydrogen 3.233 N/A VAL 186.A N SER 182.A O no hydrogen 3.118 N/A LEU 187.A N PHE 183.A O no hydrogen 2.832 N/A LEU 188.A N GLY 184.A O no hydrogen 2.957 N/A GLU 189.A N VAL 185.A O no hydrogen 2.891 N/A ILE 190.A N VAL 186.A O no hydrogen 2.913 N/A ILE 191.A N LEU 187.A O no hydrogen 2.945 N/A THR 192.A N LEU 188.A O no hydrogen 2.876 N/A THR 192.A OG1 LEU 188.A O no hydrogen 2.626 N/A GLY 193.A N GLU 189.A O no hydrogen 2.643 N/A LEU 194.A N THR 192.A OG1 no hydrogen 3.144 N/A ASP 198.A N GLN 204.A O no hydrogen 2.996 N/A HIS 200.A N ASP 198.A OD1 no hydrogen 2.882 N/A ARG 201.A N ASP 198.A O no hydrogen 3.210 N/A ARG 201.A NE PRO 203.A O no hydrogen 3.037 N/A ARG 201.A NH1 PRO 195.A O no hydrogen 2.979 N/A ARG 201.A NH2 PRO 195.A O no hydrogen 2.946 N/A ARG 201.A NH2 ALA 196.A O no hydrogen 3.456 N/A ARG 201.A NH2 GLN 204.A O no hydrogen 2.746 N/A GLN 204.A NE2 GLU 199.A O no hydrogen 3.131 N/A LEU 206.A N ALA 196.A O no hydrogen 2.757 N/A ASP 208.A N LEU 205.A O no hydrogen 3.132 N/A ILE 209.A N LEU 206.A O no hydrogen 2.916 N/A ALA 210.A N LEU 206.A O no hydrogen 3.398 N/A ALA 211.A N LEU 207.A O no hydrogen 3.241 N/A ALA 212.A N ASP 208.A O no hydrogen 3.207 N/A ILE 213.A N ILE 209.A O no hydrogen 3.052 N/A GLU 214.A N ALA 210.A O no hydrogen 3.080 N/A ASP 215.A N ALA 211.A O no hydrogen 2.999 N/A GLU 216.A N ILE 213.A O no hydrogen 3.169 N/A GLU 217.A N ALA 212.A O no hydrogen 2.878 N/A LYS 218.A N ALA 212.A O no hydrogen 3.346 N/A LYS 218.A NZ TYR 223.A OH no hydrogen 2.966 N/A THR 219.A OG1 ASP 222.A OD2 no hydrogen 2.787 N/A ASP 222.A N THR 219.A OG1 no hydrogen 3.341 N/A TYR 223.A N ILE 220.A O no hydrogen 2.792 N/A ILE 224.A N ILE 220.A O no hydrogen 3.054 N/A ASP 225.A N ILE 191.A O no hydrogen 2.901 N/A LYS 227.A N ASP 225.A OD1 no hydrogen 3.085 N/A LYS 227.A NZ ASP 225.A OD1 no hydrogen 2.801 N/A LYS 227.A NZ ASP 225.A OD2 no hydrogen 3.531 N/A SER 235.A N ASP 232.A OD2 no hydrogen 3.259 N/A SER 235.A OG ASP 232.A O no hydrogen 3.043 N/A SER 235.A OG ASP 232.A OD1 no hydrogen 2.739 N/A SER 235.A OG ASP 232.A OD2 no hydrogen 2.923 N/A VAL 236.A N ASP 232.A O no hydrogen 3.370 N/A GLU 237.A N SER 233.A O no hydrogen 2.997 N/A ALA 238.A N THR 234.A O no hydrogen 2.948 N/A MET 239.A N SER 235.A O no hydrogen 3.007 N/A TYR 240.A N VAL 236.A O no hydrogen 2.943 N/A TYR 240.A OH GLU 214.A OE2 no hydrogen 2.976 N/A SER 241.A N GLU 237.A O no hydrogen 2.955 N/A VAL 242.A N ALA 238.A O no hydrogen 3.267 N/A ALA 243.A N MET 239.A O no hydrogen 3.003 N/A SER 244.A N TYR 240.A O no hydrogen 2.864 N/A GLN 245.A N SER 241.A O no hydrogen 3.107 N/A GLN 245.A NE2 SER 241.A O no hydrogen 2.908 N/A CYS 246.A N VAL 242.A O no hydrogen 2.984 N/A CYS 246.A SG VAL 242.A O no hydrogen 3.241 N/A LEU 247.A N ALA 243.A O no hydrogen 2.961 N/A LEU 247.A N SER 244.A O no hydrogen 3.143 N/A HIS 248.A N GLN 245.A O no hydrogen 3.436 N/A LYS 251.A NZ GLU 173.A OE1 no hydrogen 2.720 N/A LYS 253.A N LYS 250.A O no hydrogen 2.919 N/A ARG 254.A NE HIS 248.A O no hydrogen 2.794 N/A ARG 254.A NH1 GLU 168.A OE2 no hydrogen 2.615 N/A ARG 254.A NH1 LYS 177.A O no hydrogen 2.774 N/A ARG 254.A NH2 GLU 168.A OE1 no hydrogen 2.758 N/A ARG 254.A NH2 HIS 248.A O no hydrogen 3.526 N/A LYS 259.A N ASP 256.A OD1 no hydrogen 3.075 N/A VAL 260.A N ASP 256.A O no hydrogen 3.131 N/A GLN 261.A N ILE 257.A O no hydrogen 2.848 N/A GLN 262.A N LYS 258.A O no hydrogen 3.166 N/A LEU 263.A N LYS 259.A O no hydrogen 3.050 N/A LEU 264.A N VAL 260.A O no hydrogen 3.097 N/A GLN 265.A N GLN 261.A O no hydrogen 2.867 N/A GLU 266.A N GLN 262.A O no hydrogen 3.002 N/A MET 267.A N LEU 263.A O no hydrogen 3.023 N/A THR 268.A N GLN 265.A O no hydrogen 3.136 N/A THR 268.A OG1 GLN 265.A O no hydrogen 3.045 N/A