Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xyr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N GLN 1.A O no hydrogen 3.037 N/A GLN 4.A NE2 GLY 6.A O no hydrogen 2.706 N/A VAL 7.A N VAL 188.A O no hydrogen 2.753 N/A MET 9.A N ALA 186.A O no hydrogen 2.861 N/A TYR 13.A N PRO 10.A O no hydrogen 3.048 N/A LYS 14.A N PRO 10.A O no hydrogen 3.396 N/A LYS 14.A NZ TRP 184.A O no hydrogen 2.940 N/A MET 15.A N ASN 11.A O no hydrogen 3.085 N/A GLN 16.A NE2 LEU 12.A O no hydrogen 2.962 N/A MET 18.A N ASN 221.A OD1 no hydrogen 3.058 N/A CYS 23.A N GLU 167.A OE2 no hydrogen 2.801 N/A CYS 23.A SG ASN 227.A OD1 no hydrogen 3.499 N/A ASP 24.A N ASN 227.A OD1 no hydrogen 2.922 N/A GLU 30.A N GLU 30.A OE1 no hydrogen 2.689 N/A ASN 31.A ND2 VAL 191.A O no hydrogen 3.005 N/A VAL 33.A N ASN 31.A OD1 no hydrogen 3.190 N/A ILE 34.A N ASN 31.A O no hydrogen 3.511 N/A ILE 38.A N PRO 35.A O no hydrogen 3.112 N/A ALA 43.A N MET 39.A O no hydrogen 3.099 N/A LYS 44.A N MET 40.A O no hydrogen 2.730 N/A LYS 44.A NZ ASN 41.A OD1 no hydrogen 3.198 N/A LYS 44.A NZ GLU 197.A OE2 no hydrogen 2.748 N/A TYR 45.A N ASN 41.A O no hydrogen 2.981 N/A TYR 45.A OH HIS 67.A NE2 no hydrogen 2.630 N/A THR 46.A N VAL 42.A O no hydrogen 2.869 N/A THR 46.A OG1 VAL 42.A O no hydrogen 2.755 N/A GLN 47.A N ALA 43.A O no hydrogen 3.061 N/A GLN 47.A NE2 SER 234.A O no hydrogen 3.466 N/A GLN 47.A NE2 SER 237.A OG no hydrogen 3.057 N/A LEU 48.A N LYS 44.A O no hydrogen 2.988 N/A CYS 49.A N TYR 45.A O no hydrogen 2.925 N/A CYS 49.A SG TYR 45.A O no hydrogen 3.258 N/A GLN 50.A N THR 46.A O no hydrogen 2.800 N/A GLN 50.A NE2 SER 237.A O no hydrogen 2.790 N/A TYR 51.A N GLN 47.A O no hydrogen 2.857 N/A LEU 52.A N LEU 48.A O no hydrogen 2.815 N/A ASN 53.A N CYS 49.A O no hydrogen 2.851 N/A ASN 53.A ND2 PHE 244.A O no hydrogen 2.727 N/A THR 54.A N TYR 51.A O no hydrogen 2.944 N/A THR 54.A OG1 TYR 51.A O no hydrogen 2.722 N/A LEU 55.A N LEU 52.A O no hydrogen 3.066 N/A VAL 59.A N THR 251.A OG1 no hydrogen 2.782 N/A ARG 64.A N ASP 123.A OD2 no hydrogen 2.662 N/A ARG 64.A NH1 LYS 121.A O no hydrogen 3.267 N/A VAL 65.A N LEU 92.A O no hydrogen 2.788 N/A ILE 66.A N LEU 124.A O no hydrogen 3.151 N/A HIS 67.A N VAL 94.A O no hydrogen 2.607 N/A HIS 67.A ND1 THR 80.A OG1 no hydrogen 2.797 N/A HIS 67.A NE2 TYR 45.A OH no hydrogen 2.630 N/A PHE 68.A N ILE 126.A O no hydrogen 2.733 N/A ALA 70.A N SER 96.A O no hydrogen 2.866 N/A GLY 71.A N ASP 97.A OD2 no hydrogen 3.107 N/A SER 72.A OG VAL 76.A O no hydrogen 3.066 N/A GLY 75.A N SER 72.A O no hydrogen 3.079 N/A THR 80.A OG1 HIS 67.A ND1 no hydrogen 2.797 N/A THR 80.A OG1 ASP 95.A OD2 no hydrogen 2.619 N/A ALA 81.A N ALA 77.A O no hydrogen 2.937 N/A VAL 82.A N PRO 78.A O no hydrogen 3.028 N/A LEU 83.A N GLY 79.A O no hydrogen 2.830 N/A ARG 84.A N THR 80.A O no hydrogen 2.787 N/A ARG 84.A NE ASP 104.A O no hydrogen 3.302 N/A ARG 84.A NH1 THR 91.A O no hydrogen 3.160 N/A ARG 84.A NH2 ASP 106.A OD2 no hydrogen 2.683 N/A GLN 85.A N ALA 81.A O no hydrogen 3.082 N/A TRP 86.A N VAL 82.A O no hydrogen 2.761 N/A TRP 86.A NE1 ASN 53.A OD1 no hydrogen 2.817 N/A LEU 87.A N LEU 83.A O no hydrogen 2.839 N/A THR 91.A N PRO 88.A O no hydrogen 3.086 N/A THR 91.A OG1 PRO 88.A O no hydrogen 2.655 N/A LEU 92.A N MET 63.A O no hydrogen 2.961 N/A LEU 93.A N ASP 106.A OD2 no hydrogen 2.949 N/A VAL 94.A N VAL 65.A O no hydrogen 2.850 N/A ASP 95.A N SER 107.A O no hydrogen 3.021 N/A SER 96.A N HIS 67.A O no hydrogen 2.857 N/A SER 96.A OG LEU 109.A O no hydrogen 2.957 N/A ASP 97.A N LEU 109.A O no hydrogen 3.187 N/A ASN 99.A N ASP 97.A OD1 no hydrogen 2.887 N/A PHE 101.A N ASP 100.A OD1 no hydrogen 3.063 N/A VAL 102.A N GLY 75.A O no hydrogen 2.786 N/A SER 103.A OG ASP 95.A OD1 no hydrogen 3.222 N/A SER 103.A OG ASP 95.A OD2 no hydrogen 2.536 N/A ALA 105.A N SER 103.A OG no hydrogen 3.064 N/A ASP 106.A N LEU 93.A O no hydrogen 2.904 N/A THR 108.A OG1 ASP 95.A OD1 no hydrogen 2.978 N/A LEU 109.A N ASP 95.A O no hydrogen 2.769 N/A GLY 111.A N ASP 97.A O no hydrogen 3.011 N/A ALA 114.A N ASP 112.A OD1 no hydrogen 3.063 N/A THR 115.A N ASP 112.A O no hydrogen 2.997 N/A THR 115.A OG1 ASP 112.A O no hydrogen 2.607 N/A VAL 116.A N CYS 113.A O no hydrogen 2.947 N/A THR 118.A OG1 ASN 120.A OD1 no hydrogen 3.208 N/A THR 118.A OG1 VAL 283.A O no hydrogen 3.186 N/A ASN 120.A N THR 118.A OG1 no hydrogen 3.155 N/A ASN 120.A ND2 ARG 281.A O no hydrogen 2.802 N/A TRP 122.A N LYS 154.A O no hydrogen 2.744 N/A ASP 123.A N ARG 64.A O no hydrogen 2.920 N/A ILE 125.A N SER 160.A O no hydrogen 2.955 N/A ILE 126.A N ILE 66.A O no hydrogen 3.065 N/A SER 127.A N ALA 162.A O no hydrogen 2.793 N/A ASP 128.A N PHE 68.A O no hydrogen 2.816 N/A MET 129.A N SER 127.A OG no hydrogen 3.253 N/A ARG 133.A N ASP 131.A O no hydrogen 2.635 N/A ASN 137.A ND2 GLU 167.A O no hydrogen 3.019 N/A SER 139.A N TYR 216.A OH no hydrogen 3.058 N/A LYS 140.A N TRP 170.A O no hydrogen 2.909 N/A LYS 140.A NZ ASP 138.A O no hydrogen 2.966 N/A LYS 140.A NZ HIS 168.A O no hydrogen 2.798 N/A PHE 144.A N GLU 141.A O no hydrogen 3.240 N/A THR 145.A N GLY 142.A O no hydrogen 3.207 N/A TYR 146.A OH VAL 116.A O no hydrogen 2.724 N/A LEU 147.A N PHE 143.A O no hydrogen 2.805 N/A CYS 148.A N PHE 144.A O no hydrogen 2.962 N/A CYS 148.A SG PHE 144.A O no hydrogen 3.235 N/A CYS 148.A SG ASN 171.A OD1 no hydrogen 3.985 N/A GLY 149.A N THR 145.A O no hydrogen 3.366 N/A PHE 150.A N TYR 146.A O no hydrogen 2.732 N/A ILE 151.A N LEU 147.A O no hydrogen 2.799 N/A LYS 152.A N CYS 148.A O no hydrogen 3.084 N/A GLN 153.A N GLY 149.A O no hydrogen 2.858 N/A GLN 153.A N PHE 150.A O no hydrogen 3.069 N/A LYS 154.A N PHE 150.A O no hydrogen 2.575 N/A LYS 154.A NZ THR 118.A O no hydrogen 3.116 N/A LEU 155.A N ILE 151.A O no hydrogen 3.079 N/A ALA 156.A N TRP 122.A O no hydrogen 2.903 N/A GLY 158.A N TYR 205.A O no hydrogen 2.697 N/A GLY 159.A N ALA 156.A O no hydrogen 2.726 N/A SER 160.A N ASP 123.A O no hydrogen 3.106 N/A ILE 161.A N GLY 202.A O no hydrogen 3.090 N/A ALA 162.A N ILE 125.A O no hydrogen 2.848 N/A VAL 163.A N LEU 200.A O no hydrogen 2.809 N/A LYS 164.A N SER 127.A O no hydrogen 2.965 N/A LYS 164.A NZ ASP 128.A OD1 no hydrogen 2.703 N/A LYS 164.A NZ GLU 197.A OE2 no hydrogen 3.139 N/A ILE 165.A N ALA 198.A O no hydrogen 2.874 N/A THR 166.A N SER 169.A O no hydrogen 2.843 N/A GLU 167.A N SER 196.A OG no hydrogen 3.106 N/A SER 169.A N THR 166.A OG1 no hydrogen 2.866 N/A TRP 170.A NE1 ASN 137.A OD1 no hydrogen 3.077 N/A ASN 171.A ND2 LYS 140.A O no hydrogen 2.870 N/A ALA 172.A N SER 139.A OG no hydrogen 2.785 N/A LEU 174.A N ASN 171.A OD1 no hydrogen 2.814 N/A TYR 175.A N ASN 171.A O no hydrogen 3.296 N/A TYR 175.A OH HIS 219.A ND1 no hydrogen 2.728 N/A LYS 176.A N ALA 172.A O no hydrogen 3.153 N/A LEU 177.A N ASP 173.A O no hydrogen 2.797 N/A MET 178.A N LEU 174.A O no hydrogen 3.130 N/A MET 178.A N TYR 175.A O no hydrogen 3.081 N/A GLY 179.A N LYS 176.A O no hydrogen 3.067 N/A HIS 180.A N LEU 177.A O no hydrogen 2.901 N/A PHE 181.A N MET 178.A O no hydrogen 3.268 N/A SER 182.A N ASN 204.A O no hydrogen 2.935 N/A SER 182.A OG GLU 270.A O no hydrogen 3.045 N/A TRP 183.A N ALA 203.A O no hydrogen 3.289 N/A THR 185.A N ILE 201.A O no hydrogen 2.904 N/A THR 185.A OG1 MET 9.A O no hydrogen 3.474 N/A THR 185.A OG1 ALA 186.A O no hydrogen 3.443 N/A PHE 187.A N PHE 199.A O no hydrogen 2.741 N/A VAL 188.A N VAL 7.A O no hydrogen 2.831 N/A ASN 190.A N PRO 5.A O no hydrogen 2.984 N/A ASN 190.A ND2 GLN 1.A O no hydrogen 3.227 N/A ASN 190.A ND2 GLN 4.A O no hydrogen 2.706 N/A VAL 191.A N GLN 47.A OE1 no hydrogen 2.779 N/A ASN 192.A N THR 189.A O no hydrogen 3.326 N/A ASN 192.A ND2 GLU 197.A OE1 no hydrogen 2.895 N/A SER 195.A N ASN 192.A O no hydrogen 3.107 N/A SER 195.A OG ASN 27.A OD1 no hydrogen 3.140 N/A SER 196.A N ASN 27.A OD1 no hydrogen 3.014 N/A SER 196.A OG ASN 27.A OD1 no hydrogen 2.896 N/A GLU 197.A N SER 195.A OG no hydrogen 3.162 N/A ALA 198.A N ILE 165.A O no hydrogen 2.956 N/A PHE 199.A N PHE 187.A O no hydrogen 2.766 N/A LEU 200.A N VAL 163.A O no hydrogen 2.768 N/A ILE 201.A N THR 185.A O no hydrogen 2.885 N/A GLY 202.A N ILE 161.A O no hydrogen 3.159 N/A ALA 203.A N TRP 183.A O no hydrogen 2.736 N/A ASN 204.A N SER 160.A OG no hydrogen 3.034 N/A ASN 204.A ND2 THR 56.A O no hydrogen 2.990 N/A ASN 204.A ND2 THR 56.A OG1 no hydrogen 2.655 N/A ASN 204.A ND2 GLU 270.A O no hydrogen 3.585 N/A TYR 205.A N GLY 159.A O no hydrogen 2.702 N/A LEU 206.A N HIS 180.A O no hydrogen 2.869 N/A LYS 210.A N GLY 179.A O no hydrogen 2.668 N/A LYS 210.A NZ SER 182.A O no hydrogen 3.099 N/A LYS 210.A NZ GLU 270.A OE2 no hydrogen 3.145 N/A GLU 211.A N GLY 179.A O no hydrogen 3.206 N/A THR 217.A N ASP 214.A OD1 no hydrogen 3.298 N/A MET 218.A N ASP 214.A O no hydrogen 2.939 N/A HIS 219.A N GLY 215.A O no hydrogen 2.940 N/A HIS 219.A ND1 TYR 175.A OH no hydrogen 2.728 N/A HIS 219.A NE2 GLU 167.A O no hydrogen 2.776 N/A ALA 220.A N TYR 216.A O no hydrogen 3.126 N/A ASN 221.A N THR 217.A O no hydrogen 2.795 N/A ASN 221.A ND2 GLN 16.A O no hydrogen 2.674 N/A TYR 222.A N MET 218.A O no hydrogen 2.746 N/A TYR 222.A OH SER 196.A O no hydrogen 2.453 N/A ILE 223.A N HIS 219.A O no hydrogen 2.935 N/A PHE 224.A N ALA 220.A O no hydrogen 2.859 N/A TRP 225.A N ASN 221.A O no hydrogen 3.062 N/A ARG 226.A N TYR 222.A O no hydrogen 3.026 N/A ARG 226.A NE.A TYR 222.A OH no hydrogen 3.029 N/A ARG 226.A NH1.B SER 195.A O no hydrogen 2.987 N/A ARG 226.A NH1.B TYR 222.A OH no hydrogen 2.878 N/A ARG 226.A NH2.A ALA 193.A O no hydrogen 3.276 N/A ARG 226.A NH2.B SER 195.A O no hydrogen 2.945 N/A ASN 227.A N ILE 223.A O no hydrogen 2.828 N/A ASN 227.A ND2 GLU 21.A OE1 no hydrogen 3.348 N/A ASN 227.A ND2 LYS 22.A O no hydrogen 2.908 N/A THR 228.A N PHE 224.A O no hydrogen 3.072 N/A THR 228.A OG1 PHE 224.A O no hydrogen 2.894 N/A ASN 229.A ND2 TYR 13.A OH no hydrogen 2.885 N/A ASN 229.A ND2 TRP 225.A O no hydrogen 3.275 N/A SER 234.A N ASN 190.A O no hydrogen 2.972 N/A SER 234.A OG ALA 2.A O no hydrogen 2.646 N/A SER 235.A OG VAL 33.A O no hydrogen 2.735 N/A TYR 236.A N SER 234.A OG no hydrogen 3.196 N/A SER 237.A OG GLN 50.A OE1 no hydrogen 2.451 N/A LEU 238.A N SER 235.A O no hydrogen 3.176 N/A PHE 239.A N TYR 236.A O no hydrogen 3.140 N/A SER 242.A N ASP 240.A OD1 no hydrogen 3.006 N/A SER 242.A OG ASP 240.A OD1 no hydrogen 2.661 N/A PHE 244.A N MET 241.A O no hydrogen 3.062 N/A LEU 246.A N TRP 86.A O no hydrogen 2.840 N/A ARG 249.A NE LEU 57.A O no hydrogen 2.890 N/A ARG 249.A NH2 LEU 57.A O no hydrogen 3.361 N/A THR 251.A N VAL 59.A O no hydrogen 3.011 N/A MET 254.A N ILE 275.A O no hydrogen 2.983 N/A SER 255.A OG GLU 278.A OE2 no hydrogen 2.897 N/A LYS 257.A N GLN 260.A OE1 no hydrogen 3.107 N/A GLN 260.A N LYS 257.A O no hydrogen 2.857 N/A ILE 261.A N GLU 258.A O no hydrogen 3.196 N/A ILE 265.A N ASN 262.A OD1 no hydrogen 3.046 N/A TYR 266.A N ASN 262.A O no hydrogen 2.916 N/A SER 267.A N ASP 263.A O no hydrogen 3.016 N/A LEU 268.A N MET 264.A O no hydrogen 2.995 N/A LEU 269.A N ILE 265.A O no hydrogen 2.876 N/A GLU 270.A N TYR 266.A O no hydrogen 2.822 N/A LYS 271.A N SER 267.A O no hydrogen 3.256 N/A LYS 271.A NZ SER 267.A OG no hydrogen 3.258 N/A GLY 272.A N LEU 269.A O no hydrogen 3.201 N/A ARG 273.A N LEU 268.A O no hydrogen 2.939 N/A ILE 275.A N ALA 252.A O no hydrogen 2.954 N/A ILE 276.A N LEU 157.A O no hydrogen 3.035 N/A ARG 277.A N MET 254.A O no hydrogen 3.178 N/A ARG 277.A NE ASP 123.A OD1 no hydrogen 2.759 N/A ARG 277.A NH1 GLU 278.A O no hydrogen 3.017 N/A ARG 277.A NH2 ASN 62.A O no hydrogen 3.159 N/A ARG 277.A NH2 ASP 123.A OD1 no hydrogen 3.349 N/A ARG 277.A NH2 ASP 123.A OD2 no hydrogen 3.134 N/A VAL 283.A N ASN 120.A OD1 no hydrogen 3.130 N/A SER 285.A N HIS 117.A O no hydrogen 2.756 N/A