Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xbb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N ILE 71.A O no hydrogen 2.783 N/A ASP 4.A N TYR 28.A OH no hydrogen 3.096 N/A ARG 5.A NE GLU 75.A OE1 no hydrogen 2.950 N/A ARG 5.A NH1 ARG 5.A O no hydrogen 3.201 N/A ARG 5.A NH2 GLU 75.A OE1 no hydrogen 3.458 N/A LYS 6.A N ASP 4.A OD1 no hydrogen 2.860 N/A LEU 7.A N ASP 4.A O no hydrogen 2.863 N/A LEU 8.A N ARG 5.A O no hydrogen 3.172 N/A THR 9.A N TYR 27.A O no hydrogen 2.882 N/A GLU 11.A N LYS 25.A O no hydrogen 2.976 N/A LEU 15.A N VAL 23.A O no hydrogen 2.833 N/A GLY 16.A N VAL 23.A O no hydrogen 3.453 N/A GLY 18.A N GLY 21.A O no hydrogen 2.952 N/A THR 22.A N ILE 41.A O no hydrogen 3.022 N/A VAL 23.A N GLY 16.A O no hydrogen 2.908 N/A LYS 24.A N VAL 39.A O no hydrogen 2.913 N/A LYS 25.A NZ.A GLU 85.A OE1 no hydrogen 2.748 N/A LYS 25.A NZ.A GLU 85.A OE2 no hydrogen 3.026 N/A GLY 26.A N VAL 37.A O no hydrogen 2.838 N/A TYR 27.A N THR 9.A O no hydrogen 2.836 N/A TYR 28.A N LYS 35.A O no hydrogen 2.830 N/A GLN 29.A N LEU 7.A O no hydrogen 2.967 N/A GLN 29.A NE2 MET 30.A O no hydrogen 2.953 N/A GLN 29.A NE2 LYS 32.A O no hydrogen 3.114 N/A MET 30.A N VAL 33.A O no hydrogen 2.908 N/A LYS 35.A N TYR 28.A O no hydrogen 2.890 N/A VAL 37.A N GLY 26.A O no hydrogen 2.858 N/A ALA 38.A N MET 81.A O no hydrogen 2.945 N/A VAL 39.A N LYS 24.A O no hydrogen 2.679 N/A LYS 40.A N LEU 79.A O no hydrogen 2.786 N/A LYS 40.A NZ GLU 53.A OE1 no hydrogen 3.032 N/A LYS 40.A NZ GLU 53.A OE2 no hydrogen 3.545 N/A ILE 41.A N THR 22.A O no hydrogen 2.842 N/A LEU 42.A N TRP 77.A O no hydrogen 3.035 N/A LYS 43.A N PHE 20.A O no hydrogen 2.677 N/A GLU 49.A N ALA 45.A O no hydrogen 2.882 N/A LEU 50.A N LEU 46.A O no hydrogen 2.980 N/A LEU 51.A N LYS 47.A O no hydrogen 2.916 N/A ALA 52.A N ASP 48.A O no hydrogen 2.846 N/A GLU 53.A N GLU 49.A O no hydrogen 2.878 N/A ALA 54.A N LEU 50.A O no hydrogen 2.866 N/A ASN 55.A N LEU 51.A O no hydrogen 2.859 N/A VAL 56.A N ALA 52.A O no hydrogen 3.074 N/A MET 57.A N GLU 53.A O no hydrogen 3.046 N/A GLN 58.A N ALA 54.A O no hydrogen 2.884 N/A GLN 59.A N VAL 56.A O no hydrogen 3.001 N/A GLN 59.A NE2 ASN 55.A O no hydrogen 3.085 N/A LEU 60.A N MET 57.A O no hydrogen 3.087 N/A ASP 61.A N TYR 117.A OH no hydrogen 2.864 N/A TYR 64.A N ASN 62.A OD1 no hydrogen 2.840 N/A ILE 65.A N ASN 62.A O no hydrogen 3.272 N/A VAL 66.A N ILE 143.A O no hydrogen 2.874 N/A ARG 67.A N GLU 82.A OE2 no hydrogen 2.775 N/A ILE 69.A N VAL 80.A O no hydrogen 2.708 N/A GLY 70.A N VAL 80.A O no hydrogen 3.228 N/A ILE 71.A N VAL 1.A O no hydrogen 2.767 N/A CYS 72.A N MET 78.A O no hydrogen 2.990 N/A CYS 72.A SG LEU 3.A O no hydrogen 3.543 N/A ALA 74.A N SER 76.A O no hydrogen 3.062 N/A MET 78.A N CYS 72.A O no hydrogen 2.884 N/A LEU 79.A N LYS 40.A O no hydrogen 2.882 N/A VAL 80.A N GLY 70.A O no hydrogen 2.871 N/A MET 81.A N ALA 38.A O no hydrogen 2.855 N/A GLU 82.A N ARG 67.A O no hydrogen 2.936 N/A LEU 86.A N LEU 135.A O no hydrogen 2.887 N/A GLY 87.A N ALA 84.A O no hydrogen 3.143 N/A LEU 89.A N VAL 133.A O no hydrogen 2.736 N/A TYR 92.A N PRO 88.A O no hydrogen 3.030 N/A LEU 93.A N LEU 89.A O no hydrogen 2.969 N/A GLN 94.A N ASN 90.A O no hydrogen 3.011 N/A GLN 94.A NE2 GLY 198.A O no hydrogen 2.848 N/A GLN 95.A N LYS 91.A O no hydrogen 3.130 N/A GLN 95.A N TYR 92.A O no hydrogen 2.991 N/A ASN 96.A N LEU 93.A O no hydrogen 3.138 N/A ASN 96.A ND2 TYR 92.A O no hydrogen 2.950 N/A VAL 99.A N ASN 96.A O no hydrogen 3.160 N/A LYS 100.A NZ HIS 98.A O no hydrogen 3.180 N/A ASN 103.A ND2 GLN 138.A O no hydrogen 2.913 N/A ILE 104.A N LYS 100.A O no hydrogen 3.001 N/A ILE 105.A N ASP 101.A O no hydrogen 2.892 N/A GLU 106.A N LYS 102.A O no hydrogen 3.010 N/A LEU 107.A N ASN 103.A O no hydrogen 3.107 N/A VAL 108.A N ILE 104.A O no hydrogen 2.951 N/A HIS 109.A N ILE 105.A O no hydrogen 2.826 N/A HIS 109.A NE2 GLU 252.A OE2 no hydrogen 2.697 N/A GLN 110.A N GLU 106.A O no hydrogen 3.087 N/A GLN 110.A NE2 HIS 139.A O no hydrogen 2.957 N/A VAL 111.A N LEU 107.A O no hydrogen 2.985 N/A SER 112.A N VAL 108.A O no hydrogen 2.907 N/A SER 112.A OG HIS 109.A O no hydrogen 2.680 N/A MET 113.A N HIS 109.A O no hydrogen 2.861 N/A GLY 114.A N GLN 110.A O no hydrogen 2.978 N/A MET 115.A N VAL 111.A O no hydrogen 2.896 N/A LYS 116.A N SER 112.A O no hydrogen 2.791 N/A TYR 117.A N MET 113.A O no hydrogen 3.155 N/A LEU 118.A N GLY 114.A O no hydrogen 2.920 N/A GLU 119.A N MET 115.A O no hydrogen 2.876 N/A GLU 120.A N LYS 116.A O no hydrogen 2.969 N/A SER 121.A N TYR 117.A O no hydrogen 2.890 N/A SER 121.A OG TYR 117.A O no hydrogen 2.882 N/A ASN 122.A N GLU 119.A O no hydrogen 2.933 N/A PHE 123.A N LEU 118.A O no hydrogen 3.130 N/A VAL 124.A N LYS 150.A O no hydrogen 2.878 N/A HIS 125.A N ASP 183.A OD2 no hydrogen 2.741 N/A HIS 125.A NE2 SER 144.A O no hydrogen 2.914 N/A ARG 126.A N ASP 183.A OD1 no hydrogen 2.972 N/A ARG 126.A NH1 LEU 148.A O no hydrogen 3.037 N/A ASP 127.A N HIS 125.A ND1 no hydrogen 2.939 N/A ALA 130.A N GLU 193.A OE1 no hydrogen 2.850 N/A ARG 131.A NH2 ASP 127.A OD1 no hydrogen 3.095 N/A ASN 132.A N ALA 129.A O no hydrogen 2.951 N/A ASN 132.A ND2 ASP 127.A O no hydrogen 2.817 N/A VAL 133.A N ALA 130.A O no hydrogen 3.158 N/A LEU 134.A N LYS 142.A O no hydrogen 2.797 N/A LEU 135.A N GLY 87.A O no hydrogen 2.902 N/A VAL 136.A N TYR 140.A O no hydrogen 2.836 N/A THR 137.A N TYR 140.A O no hydrogen 3.494 N/A GLN 138.A NE2 ASN 103.A OD1 no hydrogen 2.777 N/A HIS 139.A N THR 137.A OG1 no hydrogen 3.021 N/A HIS 139.A ND1 GLU 106.A OE1 no hydrogen 2.715 N/A TYR 140.A N THR 137.A O no hydrogen 3.166 N/A TYR 140.A OH PRO 63.A O no hydrogen 2.646 N/A ALA 141.A N GLN 110.A OE1 no hydrogen 2.763 N/A LYS 142.A N LEU 134.A O no hydrogen 2.827 N/A LYS 142.A NZ PRO 63.A O no hydrogen 3.320 N/A LYS 142.A NZ GLU 82.A OE1 no hydrogen 3.211 N/A LYS 142.A NZ GLU 82.A OE2 no hydrogen 2.802 N/A LYS 142.A NZ TYR 140.A OH no hydrogen 3.238 N/A ILE 143.A N TYR 64.A O no hydrogen 2.867 N/A SER 144.A N ASN 132.A O no hydrogen 2.818 N/A SER 144.A OG ASN 132.A O no hydrogen 2.796 N/A GLY 147.A N ASP 145.A OD2 no hydrogen 3.210 N/A SER 149.A N PHE 146.A O no hydrogen 3.116 N/A SER 149.A OG.A HIS 125.A O no hydrogen 2.942 N/A SER 149.A OG.B PHE 146.A O no hydrogen 2.742 N/A LYS 150.A N VAL 124.A O no hydrogen 2.970 N/A LEU 152.A N ASN 122.A O no hydrogen 2.949 N/A ARG 153.A NE ASP 155.A OD1 no hydrogen 2.899 N/A ARG 153.A NH1 ASP 155.A OD1 no hydrogen 3.339 N/A ARG 153.A NH1 ASP 155.A OD2 no hydrogen 2.981 N/A GLU 156.A N ARG 153.A O no hydrogen 3.285 N/A TYR 159.A N PHE 178.A O no hydrogen 2.783 N/A LYS 160.A NZ TYR 175.A O no hydrogen 3.482 N/A ALA 161.A N TYR 176.A O no hydrogen 2.875 N/A VAL 165.A N TRP 163.A O no hydrogen 2.749 N/A LYS 166.A NZ TYR 202.A O no hydrogen 3.216 N/A LYS 166.A NZ MET 205.A O no hydrogen 2.868 N/A TRP 167.A N PRO 164.A O no hydrogen 2.903 N/A TRP 167.A NE1 GLU 193.A OE1 no hydrogen 2.851 N/A TYR 168.A N VAL 165.A O no hydrogen 2.945 N/A TYR 168.A OH ARG 126.A O no hydrogen 2.796 N/A GLU 171.A N GLU 171.A OE1 no hydrogen 2.891 N/A CYS 172.A N ALA 169.A O no hydrogen 2.901 N/A CYS 172.A SG LYS 177.A O no hydrogen 3.575 N/A ILE 173.A N ALA 169.A O no hydrogen 3.442 N/A ASN 174.A N PRO 170.A O no hydrogen 2.730 N/A TYR 175.A N GLU 171.A O no hydrogen 2.961 N/A TYR 176.A N CYS 172.A O no hydrogen 3.176 N/A LYS 177.A N GLU 171.A O no hydrogen 3.304 N/A PHE 178.A N TYR 159.A O no hydrogen 2.831 N/A SER 179.A N SER 182.A OG no hydrogen 2.859 N/A LYS 181.A NZ VAL 242.A O no hydrogen 2.949 N/A LYS 181.A NZ ARG 245.A O no hydrogen 2.664 N/A SER 182.A N SER 179.A OG no hydrogen 3.189 N/A SER 182.A OG SER 179.A O no hydrogen 2.957 N/A ASP 183.A N SER 179.A O no hydrogen 3.046 N/A VAL 184.A N SER 180.A O no hydrogen 2.877 N/A TRP 185.A N LYS 181.A O no hydrogen 3.131 N/A SER 186.A N SER 182.A O no hydrogen 3.097 N/A SER 186.A OG.A LEU 128.A O no hydrogen 2.175 N/A SER 186.A OG.B TRP 167.A O no hydrogen 2.784 N/A SER 186.A OG.B SER 182.A O no hydrogen 3.171 N/A PHE 187.A N ASP 183.A O no hydrogen 2.770 N/A GLY 188.A N VAL 184.A O no hydrogen 2.982 N/A VAL 189.A N TRP 185.A O no hydrogen 3.228 N/A LEU 190.A N SER 186.A O no hydrogen 2.759 N/A MET 191.A N PHE 187.A O no hydrogen 2.805 N/A TRP 192.A N GLY 188.A O no hydrogen 3.020 N/A TRP 192.A NE1 GLY 221.A O no hydrogen 3.174 N/A GLU 193.A N VAL 189.A O no hydrogen 2.912 N/A ALA 194.A N LEU 190.A O no hydrogen 2.916 N/A PHE 195.A N MET 191.A O no hydrogen 2.926 N/A SER 196.A N TRP 192.A O no hydrogen 2.874 N/A SER 196.A OG TRP 192.A O no hydrogen 2.804 N/A TYR 197.A N ALA 194.A O no hydrogen 3.077 N/A TYR 197.A OH VAL 99.A O no hydrogen 2.614 N/A GLY 198.A N GLU 193.A O no hydrogen 2.811 N/A GLN 199.A N SER 196.A O no hydrogen 3.162 N/A MET 205.A N TYR 202.A O no hydrogen 3.136 N/A LYS 206.A N GLU 209.A OE1 no hydrogen 2.839 N/A VAL 210.A N LYS 206.A O no hydrogen 3.062 N/A THR 211.A N GLY 207.A O no hydrogen 2.947 N/A THR 211.A OG1 GLY 207.A O no hydrogen 3.255 N/A ALA 212.A N SER 208.A O no hydrogen 3.088 N/A MET 213.A N GLU 209.A O no hydrogen 2.882 N/A LEU 214.A N VAL 210.A O no hydrogen 2.959 N/A GLU 215.A N THR 211.A O no hydrogen 3.058 N/A LYS 216.A N ALA 212.A O no hydrogen 3.266 N/A LYS 216.A NZ GLU 218.A OE1 no hydrogen 3.570 N/A GLY 217.A N LEU 214.A O no hydrogen 2.870 N/A GLU 218.A N MET 213.A O no hydrogen 3.064 N/A ARG 219.A NE TRP 238.A O no hydrogen 3.140 N/A ARG 219.A NH1 LEU 214.A O no hydrogen 3.144 N/A ARG 219.A NH1 GLU 218.A O no hydrogen 3.042 N/A ARG 219.A NH2 TRP 238.A O no hydrogen 2.910 N/A CYS 222.A SG PRO 223.A O no hydrogen 3.576 N/A CYS 222.A SG CYS 226.A O no hydrogen 3.710 N/A CYS 226.A N PRO 223.A O no hydrogen 2.985 N/A CYS 226.A SG PRO 227.A O no hydrogen 3.518 N/A MET 230.A N PRO 227.A O no hydrogen 3.025 N/A TYR 231.A N PRO 227.A O no hydrogen 3.100 N/A TYR 231.A OH MET 220.A O no hydrogen 2.589 N/A ASP 232.A N ARG 228.A O no hydrogen 2.784 N/A LEU 233.A N GLU 229.A O no hydrogen 3.085 N/A MET 234.A N MET 230.A O no hydrogen 2.958 N/A ASN 235.A N TYR 231.A O no hydrogen 2.988 N/A ASN 235.A ND2 TYR 231.A O no hydrogen 3.592 N/A LEU 236.A N ASP 232.A O no hydrogen 2.963 N/A CYS 237.A N LEU 233.A O no hydrogen 2.886 N/A CYS 237.A SG LEU 233.A O no hydrogen 3.460 N/A TRP 238.A N MET 234.A O no hydrogen 2.918 N/A THR 239.A N LEU 236.A O no hydrogen 3.228 N/A THR 239.A OG1 LEU 236.A O no hydrogen 2.641 N/A ASN 244.A N ASP 241.A OD2 no hydrogen 2.917 N/A ARG 245.A N ASP 241.A O no hydrogen 2.924 N/A ARG 245.A N VAL 242.A O no hydrogen 3.287 N/A ARG 245.A NE THR 239.A O no hydrogen 2.832 N/A ARG 245.A NH1 GLU 171.A OE1 no hydrogen 3.493 N/A ARG 245.A NH1 GLU 171.A OE2 no hydrogen 2.750 N/A ARG 245.A NH1 LYS 181.A O no hydrogen 3.028 N/A ARG 245.A NH2 GLU 171.A OE1 no hydrogen 2.852 N/A ARG 245.A NH2 THR 239.A O no hydrogen 2.981 N/A ARG 245.A NH2 TYR 240.A O no hydrogen 3.174 N/A PHE 248.A N GLU 119.A OE1 no hydrogen 3.275 N/A PHE 248.A N GLU 119.A OE2 no hydrogen 2.963 N/A VAL 251.A N GLY 247.A O no hydrogen 3.098 N/A GLU 252.A N PHE 248.A O no hydrogen 2.789 N/A LEU 253.A N ALA 249.A O no hydrogen 3.122 N/A ARG 254.A N ALA 250.A O no hydrogen 3.112 N/A LEU 255.A N VAL 251.A O no hydrogen 3.075 N/A ARG 256.A N GLU 252.A O no hydrogen 2.834 N/A ARG 256.A NE GLU 252.A OE2 no hydrogen 3.119 N/A ARG 256.A NH2 GLU 252.A OE1 no hydrogen 2.728 N/A ASN 257.A N LEU 253.A O no hydrogen 2.981 N/A TYR 258.A N ARG 254.A O no hydrogen 3.013 N/A TYR 259.A N LEU 255.A O no hydrogen 2.833 N/A TYR 260.A N ARG 256.A O no hydrogen 2.967 N/A ASP 261.A N ASN 257.A O no hydrogen 3.049 N/A VAL 262.A N TYR 258.A O no hydrogen 3.013 N/A VAL 263.A N TYR 259.A O no hydrogen 2.883 N/A ASN 264.A N TYR 260.A O no hydrogen 2.896 N/A GLU 265.A N ASP 261.A O no hydrogen 2.916 N/A GLY 266.A N VAL 262.A O no hydrogen 3.055 N/A HIS 267.A N VAL 263.A O no hydrogen 3.150 N/A HIS 268.A N ASN 264.A O no hydrogen 3.108 N/A HIS 268.A N GLU 265.A O no hydrogen 3.009 N/A