Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6bbu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A NE2 THR 75.A OG1 no hydrogen 3.125 N/A PHE 4.A N ILE 73.A O no hydrogen 2.861 N/A GLU 5.A N TYR 28.A OH no hydrogen 3.067 N/A ARG 7.A NH2 GLU 5.A OE2 no hydrogen 2.805 N/A PHE 8.A N GLU 5.A O no hydrogen 3.102 N/A LEU 9.A N LYS 6.A O no hydrogen 3.070 N/A LYS 10.A N ARG 27.A O no hydrogen 2.918 N/A LYS 10.A NZ ARG 7.A O no hydrogen 2.797 N/A ARG 11.A NE GLU 24.A OE2 no hydrogen 2.919 N/A ARG 11.A NH2 ASP 14.A OD1 no hydrogen 2.885 N/A ILE 12.A N LEU 25.A O no hydrogen 2.955 N/A LEU 15.A N VAL 23.A O no hydrogen 2.708 N/A GLY 16.A N VAL 23.A O no hydrogen 3.241 N/A GLY 18.A N GLY 21.A O no hydrogen 2.772 N/A HIS 19.A NE2 ASP 167.A O no hydrogen 2.774 N/A PHE 20.A N HIS 19.A ND1 no hydrogen 3.268 N/A LYS 22.A N SER 43.A O no hydrogen 3.023 N/A VAL 23.A N GLY 16.A O no hydrogen 2.799 N/A GLU 24.A N VAL 41.A O no hydrogen 2.835 N/A LEU 25.A N ARG 13.A O no hydrogen 2.767 N/A CYS 26.A N VAL 39.A O no hydrogen 2.925 N/A ARG 27.A N LYS 10.A O no hydrogen 2.931 N/A ARG 27.A NH1 GLY 36.A O no hydrogen 2.759 N/A TYR 28.A N GLU 37.A O no hydrogen 2.814 N/A ASP 29.A N PHE 8.A O no hydrogen 2.902 N/A GLY 32.A N ASP 29.A O no hydrogen 3.152 N/A ASN 34.A N ASP 29.A OD2 no hydrogen 2.818 N/A THR 35.A N ASP 33.A OD1 no hydrogen 3.235 N/A THR 35.A OG1 ASP 33.A OD1 no hydrogen 2.708 N/A THR 35.A OG1 ASP 33.A OD2 no hydrogen 3.506 N/A GLY 36.A N ASP 29.A OD1 no hydrogen 3.027 N/A VAL 39.A N CYS 26.A O no hydrogen 2.826 N/A ALA 40.A N MET 83.A O no hydrogen 2.967 N/A VAL 41.A N GLU 24.A O no hydrogen 2.788 N/A LYS 42.A N LEU 81.A O no hydrogen 2.788 N/A LYS 42.A NZ GLU 55.A OE1 no hydrogen 3.128 N/A LYS 42.A NZ GLU 55.A OE2 no hydrogen 2.781 N/A LYS 42.A NZ ASP 148.A OD1 no hydrogen 2.803 N/A LYS 42.A NZ ASP 148.A OD2 no hydrogen 3.280 N/A SER 43.A N LYS 22.A O no hydrogen 3.012 N/A LYS 45.A N PHE 20.A O no hydrogen 2.892 N/A LYS 45.A NZ GLU 17.A OE2 no hydrogen 3.345 N/A LYS 45.A NZ GLY 18.A O no hydrogen 2.814 N/A LEU 52.A N HIS 48.A O no hydrogen 3.280 N/A LYS 53.A N ILE 49.A O no hydrogen 2.941 N/A LYS 54.A N ALA 50.A O no hydrogen 3.014 N/A GLU 55.A N ASP 51.A O no hydrogen 3.041 N/A ILE 56.A N LEU 52.A O no hydrogen 2.898 N/A GLU 57.A N LYS 53.A O no hydrogen 3.014 N/A ILE 58.A N LYS 54.A O no hydrogen 2.812 N/A LEU 59.A N GLU 55.A O no hydrogen 2.891 N/A ARG 60.A N ILE 56.A O no hydrogen 2.992 N/A ARG 60.A NE TYR 70.A OH no hydrogen 3.454 N/A ARG 60.A NH2 TYR 70.A OH no hydrogen 3.292 N/A ASN 61.A N GLU 57.A O no hydrogen 3.312 N/A ASN 61.A N ILE 58.A O no hydrogen 3.097 N/A ASN 61.A ND2 TYR 126.A OH no hydrogen 3.169 N/A LEU 62.A N LEU 59.A O no hydrogen 3.101 N/A TYR 63.A N TYR 120.A OH no hydrogen 3.242 N/A ASN 66.A N HIS 64.A ND1 no hydrogen 2.883 N/A ILE 67.A N HIS 64.A O no hydrogen 3.099 N/A VAL 68.A N ILE 146.A O no hydrogen 2.854 N/A LYS 69.A N GLU 84.A OE2 no hydrogen 2.940 N/A LYS 71.A N ILE 82.A O no hydrogen 2.861 N/A LYS 71.A NZ GLU 37.A OE1 no hydrogen 3.287 N/A LYS 71.A NZ GLU 37.A OE2 no hydrogen 3.171 N/A GLY 72.A N ILE 82.A O no hydrogen 3.227 N/A ILE 73.A N THR 2.A O no hydrogen 2.823 N/A CYS 74.A N LYS 80.A O no hydrogen 3.129 N/A THR 75.A OG1 HIS 3.A NE2 no hydrogen 3.125 N/A GLU 76.A N GLY 78.A O no hydrogen 3.142 N/A LYS 80.A N CYS 74.A O no hydrogen 2.802 N/A LEU 81.A N LYS 42.A O no hydrogen 2.774 N/A ILE 82.A N GLY 72.A O no hydrogen 2.793 N/A MET 83.A N ALA 40.A O no hydrogen 2.880 N/A GLU 84.A N LYS 69.A O no hydrogen 3.018 N/A GLY 89.A N LEU 86.A O no hydrogen 2.958 N/A SER 90.A N GLU 93.A OE1 no hydrogen 2.843 N/A SER 90.A OG GLU 93.A OE2 no hydrogen 2.701 N/A LEU 91.A N VAL 136.A O no hydrogen 2.849 N/A LYS 92.A NZ CYS 203.A O no hydrogen 3.516 N/A GLU 93.A N SER 90.A O no hydrogen 3.036 N/A TYR 94.A N SER 90.A O no hydrogen 2.866 N/A LEU 95.A N LEU 91.A O no hydrogen 2.877 N/A ASN 98.A N TYR 94.A O no hydrogen 3.126 N/A ASN 98.A N LEU 95.A O no hydrogen 3.111 N/A LYS 99.A NZ TYR 202.A O no hydrogen 3.442 N/A LYS 101.A N ASN 98.A O no hydrogen 2.989 N/A ILE 102.A N ASN 98.A O no hydrogen 3.151 N/A GLN 106.A N ASN 103.A OD1 no hydrogen 3.109 N/A GLN 107.A N ASN 103.A O no hydrogen 3.094 N/A GLN 107.A NE2 LEU 199.A O no hydrogen 2.927 N/A LEU 108.A N LEU 104.A O no hydrogen 2.893 N/A LYS 109.A N LYS 105.A O no hydrogen 3.092 N/A TYR 110.A N GLN 106.A O no hydrogen 2.956 N/A TYR 110.A OH GLU 141.A O no hydrogen 2.655 N/A ALA 111.A N GLN 107.A O no hydrogen 2.956 N/A VAL 112.A N LEU 108.A O no hydrogen 3.019 N/A GLN 113.A N LYS 109.A O no hydrogen 3.161 N/A GLN 113.A NE2 HIS 142.A O no hydrogen 2.908 N/A ILE 114.A N TYR 110.A O no hydrogen 3.020 N/A CYS 115.A N ALA 111.A O no hydrogen 3.050 N/A CYS 115.A SG ALA 111.A O no hydrogen 3.244 N/A LYS 116.A N VAL 112.A O no hydrogen 2.800 N/A LYS 116.A NZ GLU 275.A OE2 no hydrogen 3.479 N/A GLY 117.A N GLN 113.A O no hydrogen 2.981 N/A MET 118.A N ILE 114.A O no hydrogen 2.848 N/A ASP 119.A N CYS 115.A O no hydrogen 2.818 N/A TYR 120.A N LYS 116.A O no hydrogen 3.001 N/A LEU 121.A N GLY 117.A O no hydrogen 3.018 N/A GLY 122.A N MET 118.A O no hydrogen 2.875 N/A SER 123.A N ASP 119.A O no hydrogen 2.966 N/A SER 123.A OG TYR 120.A O no hydrogen 2.732 N/A ARG 124.A N TYR 120.A O no hydrogen 3.221 N/A ARG 124.A N LEU 121.A O no hydrogen 3.058 N/A GLN 125.A N GLY 122.A O no hydrogen 2.910 N/A TYR 126.A N LEU 121.A O no hydrogen 3.289 N/A VAL 127.A N LYS 153.A O no hydrogen 2.861 N/A HIS 128.A N ASP 188.A OD2 no hydrogen 2.787 N/A ARG 129.A N ASP 188.A OD1 no hydrogen 3.059 N/A ARG 129.A NH1 LEU 151.A O no hydrogen 2.868 N/A ALA 133.A N GLU 198.A OE1 no hydrogen 2.858 N/A ARG 134.A NH1.B ASP 130.A OD2 no hydrogen 3.257 N/A ARG 134.A NH2.A ASP 130.A OD1 no hydrogen 2.989 N/A ARG 134.A NH2.B ASP 130.A OD1 no hydrogen 2.680 N/A ASN 135.A N ALA 132.A O no hydrogen 2.997 N/A ASN 135.A ND2 ASP 130.A O no hydrogen 2.787 N/A ASN 135.A ND2 ASP 130.A OD2 no hydrogen 2.928 N/A VAL 136.A N ALA 133.A O no hydrogen 3.139 N/A LEU 137.A N LYS 145.A O no hydrogen 2.749 N/A VAL 138.A N GLY 89.A O no hydrogen 2.919 N/A GLU 139.A N GLN 143.A O no hydrogen 2.849 N/A SER 140.A N GLN 143.A O no hydrogen 3.245 N/A HIS 142.A N SER 140.A OG no hydrogen 2.992 N/A GLN 143.A N SER 140.A O no hydrogen 3.202 N/A GLN 143.A NE2 GLU 65.A O no hydrogen 2.970 N/A VAL 144.A N GLN 113.A OE1 no hydrogen 2.859 N/A LYS 145.A N LEU 137.A O no hydrogen 2.812 N/A LYS 145.A NZ GLU 84.A OE2 no hydrogen 2.756 N/A LYS 145.A NZ GLU 139.A OE2 no hydrogen 3.465 N/A ILE 146.A N ASN 66.A O no hydrogen 2.861 N/A GLY 147.A N ASN 135.A O no hydrogen 2.792 N/A GLY 150.A N ASP 148.A OD2 no hydrogen 3.008 N/A THR 152.A N PHE 149.A O no hydrogen 3.175 N/A THR 152.A OG1 HIS 128.A O no hydrogen 3.513 N/A THR 152.A OG1 PHE 149.A O no hydrogen 3.451 N/A LYS 153.A N VAL 127.A O no hydrogen 2.905 N/A ILE 155.A N GLN 125.A O no hydrogen 2.739 N/A LYS 159.A N GLU 156.A O no hydrogen 2.969 N/A VAL 162.A N SER 181.A O no hydrogen 2.894 N/A LYS 163.A NZ THR 161.A O no hydrogen 2.937 N/A ARG 166.A N ASP 164.A OD2 no hydrogen 3.441 N/A VAL 170.A N SER 168.A O no hydrogen 2.841 N/A TRP 172.A N PRO 169.A O no hydrogen 3.016 N/A TRP 172.A NE1 GLU 198.A OE1 no hydrogen 2.888 N/A TYR 173.A N VAL 170.A O no hydrogen 3.119 N/A TYR 173.A OH ARG 129.A O no hydrogen 2.679 N/A GLU 176.A N GLU 176.A OE1 no hydrogen 2.733 N/A CYS 177.A N ALA 174.A O no hydrogen 3.163 N/A CYS 177.A SG LYS 182.A O no hydrogen 3.613 N/A LEU 178.A N ALA 174.A O no hydrogen 3.246 N/A MET 179.A N PRO 175.A O no hydrogen 2.778 N/A GLN 180.A N GLU 176.A O no hydrogen 3.088 N/A SER 181.A N CYS 177.A O no hydrogen 3.145 N/A LYS 182.A N GLU 176.A O no hydrogen 3.419 N/A TYR 184.A N SER 187.A OG no hydrogen 2.917 N/A SER 187.A N TYR 184.A O no hydrogen 2.857 N/A SER 187.A OG GLU 176.A OE2 no hydrogen 2.662 N/A ASP 188.A N ILE 185.A O no hydrogen 2.893 N/A VAL 189.A N ILE 185.A O no hydrogen 3.205 N/A TRP 190.A N ALA 186.A O no hydrogen 3.243 N/A SER 191.A N SER 187.A O no hydrogen 3.188 N/A SER 191.A OG TRP 172.A O no hydrogen 2.731 N/A SER 191.A OG SER 187.A O no hydrogen 3.429 N/A PHE 192.A N ASP 188.A O no hydrogen 2.804 N/A GLY 193.A N VAL 189.A O no hydrogen 3.030 N/A VAL 194.A N TRP 190.A O no hydrogen 3.241 N/A THR 195.A N SER 191.A O no hydrogen 2.886 N/A THR 195.A OG1 SER 191.A O no hydrogen 3.034 N/A LEU 196.A N PHE 192.A O no hydrogen 2.747 N/A HIS 197.A N GLY 193.A O no hydrogen 3.031 N/A HIS 197.A NE2 PRO 240.A O no hydrogen 2.916 N/A GLU 198.A N VAL 194.A O no hydrogen 3.080 N/A LEU 199.A N THR 195.A O no hydrogen 2.920 N/A LEU 200.A N LEU 196.A O no hydrogen 2.938 N/A THR 201.A N HIS 197.A O no hydrogen 3.175 N/A THR 201.A N GLU 198.A O no hydrogen 3.260 N/A THR 201.A OG1 GLU 198.A O no hydrogen 3.020 N/A TYR 202.A N LEU 199.A O no hydrogen 2.999 N/A TYR 202.A OH ILE 102.A O no hydrogen 2.749 N/A CYS 203.A N GLU 198.A O no hydrogen 2.811 N/A CYS 203.A SG GLU 198.A O no hydrogen 3.881 N/A ASP 204.A N THR 201.A O no hydrogen 3.227 N/A SER 207.A N ASP 204.A O no hydrogen 2.978 N/A SER 207.A OG ASP 204.A OD2 no hydrogen 3.199 N/A SER 208.A N SER 205.A O no hydrogen 3.486 N/A SER 208.A OG SER 205.A O no hydrogen 3.311 N/A ALA 211.A N SER 208.A OG no hydrogen 3.267 N/A LEU 212.A N SER 208.A O no hydrogen 2.890 N/A PHE 213.A N PRO 209.A O no hydrogen 2.994 N/A LEU 214.A N MET 210.A O no hydrogen 2.815 N/A LYS 215.A N ALA 211.A O no hydrogen 3.121 N/A LYS 215.A N LEU 212.A O no hydrogen 3.060 N/A LYS 215.A NZ ASP 206.A O no hydrogen 2.976 N/A MET 216.A N LEU 212.A O no hydrogen 2.913 N/A ILE 217.A N PHE 213.A O no hydrogen 2.809 N/A HIS 221.A ND1 THR 220.A O no hydrogen 2.806 N/A ARG 228.A N MET 224.A O no hydrogen 2.999 N/A LEU 229.A N THR 225.A O no hydrogen 2.902 N/A VAL 230.A N VAL 226.A O no hydrogen 2.886 N/A ASN 231.A N THR 227.A O no hydrogen 3.028 N/A THR 232.A N ARG 228.A O no hydrogen 3.189 N/A THR 232.A OG1 ARG 228.A O no hydrogen 2.750 N/A LEU 233.A N LEU 229.A O no hydrogen 2.950 N/A LYS 234.A N VAL 230.A O no hydrogen 2.860 N/A GLU 235.A N ASN 231.A O no hydrogen 3.086 N/A GLY 236.A N LEU 233.A O no hydrogen 3.051 N/A LYS 237.A N THR 232.A O no hydrogen 3.306 N/A ARG 238.A NE TRP 257.A O no hydrogen 2.923 N/A ARG 238.A NH1 LEU 233.A O no hydrogen 2.916 N/A ARG 238.A NH1 LYS 237.A O no hydrogen 2.864 N/A ARG 238.A NH2 TRP 257.A O no hydrogen 3.064 N/A CYS 241.A SG PRO 242.A O no hydrogen 3.715 N/A CYS 241.A SG CYS 245.A O no hydrogen 3.552 N/A CYS 245.A N PRO 242.A O no hydrogen 3.273 N/A CYS 245.A SG PRO 246.A O no hydrogen 3.568 N/A GLU 248.A N GLU 248.A OE1 no hydrogen 2.830 N/A VAL 249.A N PRO 246.A O no hydrogen 3.092 N/A TYR 250.A N PRO 246.A O no hydrogen 3.108 N/A TYR 250.A OH LEU 239.A O no hydrogen 2.776 N/A GLN 251.A N ASP 247.A O no hydrogen 2.895 N/A GLN 251.A NE2 ASP 247.A O no hydrogen 3.354 N/A MET 253.A N VAL 249.A O no hydrogen 3.084 N/A ARG 254.A N TYR 250.A O no hydrogen 2.792 N/A ARG 254.A NH1 TYR 250.A OH no hydrogen 3.375 N/A LYS 255.A N GLN 251.A O no hydrogen 3.109 N/A LYS 255.A N LEU 252.A O no hydrogen 3.048 N/A LYS 255.A NZ ASN 269.A OD1 no hydrogen 3.448 N/A CYS 256.A N MET 253.A O no hydrogen 3.150 N/A CYS 256.A SG LEU 252.A O no hydrogen 3.672 N/A TRP 257.A N ARG 254.A O no hydrogen 3.102 N/A ASN 263.A N GLN 260.A O no hydrogen 3.031 N/A ARG 264.A N PRO 261.A O no hydrogen 3.209 N/A ARG 264.A NE GLU 258.A O no hydrogen 2.791 N/A ARG 264.A NH1 GLU 176.A OE2 no hydrogen 2.737 N/A ARG 264.A NH1 ALA 186.A O no hydrogen 2.911 N/A ARG 264.A NH2 GLU 176.A OE1 no hydrogen 2.763 N/A ARG 264.A NH2 GLU 176.A OE2 no hydrogen 3.510 N/A ARG 264.A NH2 GLU 258.A O no hydrogen 3.320 N/A ARG 264.A NH2 PHE 259.A O no hydrogen 3.104 N/A THR 265.A N LYS 255.A O no hydrogen 3.178 N/A THR 265.A OG1 SER 266.A O no hydrogen 3.335 N/A THR 265.A OG1 ASN 269.A OD1 no hydrogen 2.898 N/A ASN 269.A N SER 266.A OG no hydrogen 3.142 N/A LEU 270.A N SER 266.A O no hydrogen 3.110 N/A ILE 271.A N PHE 267.A O no hydrogen 2.925 N/A GLU 272.A N GLN 268.A O no hydrogen 3.260 N/A GLY 273.A N ASN 269.A O no hydrogen 2.925 N/A PHE 274.A N LEU 270.A O no hydrogen 2.880 N/A GLU 275.A N ILE 271.A O no hydrogen 2.979 N/A ALA 276.A N GLU 272.A O no hydrogen 3.093 N/A LEU 277.A N PHE 274.A O no hydrogen 2.938 N/A LEU 278.A N GLU 275.A O no hydrogen 3.121 N/A