Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xxi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 6.A N LYS 50.A O no hydrogen 2.847 N/A VAL 7.A N ASP 84.A OD2 no hydrogen 2.915 N/A VAL 8.A N LYS 52.A O no hydrogen 2.887 N/A THR 9.A N ILE 85.A O no hydrogen 2.779 N/A THR 10.A N THR 54.A O no hydrogen 2.992 N/A THR 10.A OG1 ILE 87.A O no hydrogen 2.702 N/A ILE 11.A N THR 10.A OG1 no hydrogen 2.866 N/A GLU 13.A N VAL 17.A O no hydrogen 3.191 N/A TYR 16.A N.A GLU 13.A O no hydrogen 2.785 N/A TYR 16.A N.B GLU 13.A O no hydrogen 2.783 N/A VAL 17.A N GLU 13.A O no hydrogen 3.034 N/A MET 18.A N GLU 33.A O no hydrogen 2.761 N/A LYS 20.A N ARG 31.A O no hydrogen 2.956 N/A LYS 20.A NZ GLU 30.A O no hydrogen 2.850 N/A ASN 22.A N ASN 22.A OD1 no hydrogen 2.616 N/A HIS 23.A N LYS 20.A O no hydrogen 2.957 N/A MET 25.A N.A ASN 22.A O no hydrogen 3.105 N/A MET 25.A N.B ASN 22.A O no hydrogen 3.057 N/A LEU 26.A N HIS 23.A O no hydrogen 2.991 N/A ASN 29.A ND2 TYR 51.A O no hydrogen 3.010 N/A GLU 30.A N GLU 27.A O no hydrogen 3.139 N/A ARG 31.A N GLY 28.A O no hydrogen 3.145 N/A ARG 31.A NE GLY 28.A O no hydrogen 2.761 N/A ARG 31.A NH2 GLY 28.A O no hydrogen 3.489 N/A TYR 32.A N ASN 29.A O no hydrogen 3.387 N/A GLU 33.A N MET 18.A O no hydrogen 2.920 N/A TYR 35.A N PRO 15.A O no hydrogen 2.905 N/A CYS 36.A N TYR 16.A O.A no hydrogen 2.844 N/A CYS 36.A N TYR 16.A O.B no hydrogen 2.825 N/A ASP 38.A N GLY 34.A O no hydrogen 2.919 N/A LEU 39.A N TYR 35.A O no hydrogen 2.873 N/A ALA 40.A N CYS 36.A O no hydrogen 2.888 N/A ALA 41.A N VAL 37.A O no hydrogen 3.214 N/A GLU 42.A N ASP 38.A O no hydrogen 3.255 N/A ILE 43.A N LEU 39.A O no hydrogen 2.797 N/A ALA 44.A N ALA 40.A O no hydrogen 2.917 N/A LYS 45.A N.A ALA 41.A O no hydrogen 2.973 N/A LYS 45.A N.B ALA 41.A O no hydrogen 3.030 N/A HIS 46.A N GLU 42.A O no hydrogen 3.005 N/A CYS 47.A N ILE 43.A O no hydrogen 2.936 N/A CYS 47.A SG ILE 43.A O no hydrogen 3.350 N/A GLY 48.A N ALA 44.A O no hydrogen 2.809 N/A GLY 48.A N LYS 45.A O.A no hydrogen 3.261 N/A PHE 49.A N ALA 44.A O no hydrogen 3.091 N/A LYS 52.A N VAL 6.A O no hydrogen 2.815 N/A LEU 53.A N ASN 29.A OD1 no hydrogen 2.828 N/A THR 54.A N VAL 8.A O no hydrogen 2.839 N/A THR 54.A OG1 VAL 8.A O no hydrogen 2.912 N/A VAL 56.A N THR 10.A O no hydrogen 2.853 N/A GLY 57.A N GLU 77.A OE2 no hydrogen 3.273 N/A GLY 59.A N VAL 56.A O no hydrogen 3.157 N/A LYS 60.A N ASP 58.A OD1 no hydrogen 2.977 N/A TYR 61.A OH GLU 13.A OE1 no hydrogen 2.615 N/A ALA 63.A N ASN 72.A OD1 no hydrogen 2.883 N/A ASP 65.A N ILE 70.A O no hydrogen 3.073 N/A ASP 67.A N ASP 65.A OD1 no hydrogen 2.704 N/A THR 68.A N ASP 65.A OD1 no hydrogen 3.111 N/A LYS 69.A N ASP 65.A O no hydrogen 2.928 N/A ILE 70.A N THR 68.A OG1 no hydrogen 3.287 N/A TRP 71.A N TYR 80.A OH no hydrogen 3.090 N/A ASN 72.A N ALA 63.A O no hydrogen 3.012 N/A GLY 73.A N ASP 58.A OD2 no hydrogen 2.823 N/A MET 74.A N LYS 60.A O no hydrogen 3.102 N/A VAL 75.A N TYR 61.A O no hydrogen 3.220 N/A GLY 76.A N ASN 72.A O no hydrogen 2.975 N/A GLU 77.A N GLY 73.A O no hydrogen 3.064 N/A LEU 78.A N MET 74.A O no hydrogen 3.125 N/A VAL 79.A N VAL 75.A O no hydrogen 2.860 N/A TYR 80.A N GLY 76.A O no hydrogen 2.876 N/A GLY 81.A N LEU 78.A O no hydrogen 3.307 N/A LYS 82.A N GLU 77.A O no hydrogen 2.827 N/A ALA 83.A N GLU 77.A O no hydrogen 3.060 N/A ASP 84.A N VAL 7.A O no hydrogen 2.853 N/A ILE 85.A N VAL 7.A O no hydrogen 3.310 N/A ALA 86.A N ALA 223.A O no hydrogen 2.860 N/A ILE 87.A N THR 9.A O no hydrogen 3.154 N/A LEU 90.A N ALA 88.A O no hydrogen 2.777 N/A THR 91.A OG1 SER 142.A OG no hydrogen 3.218 N/A THR 91.A OG1 GLU 193.A OE2 no hydrogen 2.759 N/A ILE 92.A N GLY 219.A O no hydrogen 2.986 N/A ARG 96.A N THR 93.A OG1 no hydrogen 3.288 N/A ARG 96.A NE GLY 62.A O no hydrogen 3.434 N/A ARG 96.A NH1 THR 91.A O no hydrogen 2.941 N/A ARG 96.A NH2 GLY 62.A O no hydrogen 2.896 N/A GLU 97.A N THR 93.A O no hydrogen 2.868 N/A GLU 98.A N LEU 94.A O no hydrogen 3.087 N/A VAL 99.A N ARG 96.A O no hydrogen 2.879 N/A ILE 100.A N ARG 96.A O no hydrogen 2.877 N/A ASP 101.A N THR 224.A O no hydrogen 2.847 N/A PHE 102.A N GLU 97.A OE1 no hydrogen 3.263 N/A SER 103.A N ILE 222.A O no hydrogen 2.851 N/A SER 103.A OG LYS 104.A O no hydrogen 2.738 N/A LYS 104.A N ASN 235.A OD1 no hydrogen 2.808 N/A PHE 106.A N TYR 220.A O no hydrogen 2.918 N/A LEU 109.A N LYS 218.A O no hydrogen 3.013 N/A GLY 110.A N SER 194.A OG no hydrogen 2.965 N/A ILE 111.A N ASP 216.A OD1 no hydrogen 2.818 N/A SER 112.A N LEU 192.A O no hydrogen 2.787 N/A SER 112.A OG LEU 192.A O no hydrogen 2.855 N/A MET 114.A N TYR 190.A O no hydrogen 2.781 N/A ILE 115.A N MET 209.A O no hydrogen 2.991 N/A LYS 117.A N ASP 207.A O no hydrogen 2.814 N/A LYS 117.A NZ CYS 206.A O no hydrogen 2.942 N/A THR 119.A N LYS 116.A O no hydrogen 3.081 N/A THR 119.A OG1 LYS 116.A O no hydrogen 2.801 N/A ILE 121.A N THR 119.A O no hydrogen 2.805 N/A GLU 122.A N ASP 126.A OD2 no hydrogen 2.831 N/A GLU 125.A N.A GLU 125.A OE1.A no hydrogen 2.670 N/A ASP 126.A N SER 123.A OG no hydrogen 2.972 N/A LEU 127.A N SER 123.A O no hydrogen 3.187 N/A SER 128.A N ALA 124.A O no hydrogen 2.992 N/A SER 128.A OG GLU 125.A O.A no hydrogen 2.704 N/A SER 128.A OG GLU 125.A O.B no hydrogen 2.713 N/A LYS 129.A N GLU 125.A O.A no hydrogen 3.128 N/A LYS 129.A N GLU 125.A O.B no hydrogen 3.060 N/A LYS 129.A NZ GLU 125.A OE2.B no hydrogen 2.950 N/A GLN 130.A N LEU 127.A O no hydrogen 3.385 N/A GLN 130.A NE2 LEU 127.A O no hydrogen 3.076 N/A GLN 130.A NE2 ILE 133.A O no hydrogen 2.935 N/A ILE 133.A N GLN 130.A OE1 no hydrogen 2.802 N/A ALA 134.A N LYS 187.A O no hydrogen 2.891 N/A GLY 136.A N ALA 189.A O no hydrogen 3.429 N/A THR 137.A OG1 LEU 138.A O no hydrogen 3.040 N/A ASP 139.A N.A VAL 171.A O no hydrogen 2.799 N/A ASP 139.A N.B VAL 171.A O no hydrogen 2.914 N/A SER 140.A OG.B ASN 72.A OD1 no hydrogen 3.402 N/A SER 140.A OG.B SER 140.A O.B no hydrogen 2.226 N/A SER 142.A OG THR 91.A OG1 no hydrogen 3.218 N/A LYS 144.A NZ ASP 139.A O.A no hydrogen 3.024 N/A LYS 144.A NZ ASP 139.A OD1.A no hydrogen 2.717 N/A LYS 144.A NZ ASP 139.A OD1.B no hydrogen 2.820 N/A GLU 145.A N GLY 141.A O no hydrogen 3.314 N/A PHE 146.A N SER 142.A O no hydrogen 2.934 N/A PHE 147.A N THR 143.A O no hydrogen 3.323 N/A ARG 148.A N LYS 144.A O no hydrogen 2.923 N/A ARG 148.A NH1 GLU 145.A OE1 no hydrogen 2.633 N/A ARG 149.A N GLU 145.A O no hydrogen 2.921 N/A ARG 149.A NE GLU 145.A OE2 no hydrogen 3.020 N/A SER 150.A N PHE 147.A O no hydrogen 3.383 N/A LYS 151.A NZ ARG 149.A O no hydrogen 2.534 N/A ILE 152.A N SER 150.A OG no hydrogen 3.175 N/A ASP 156.A N ILE 152.A O no hydrogen 2.823 N/A LYS 157.A N ALA 153.A O no hydrogen 2.883 N/A MET 158.A N VAL 154.A O no hydrogen 3.041 N/A TRP 159.A N PHE 155.A O no hydrogen 2.915 N/A THR 160.A N ASP 156.A O no hydrogen 2.889 N/A THR 160.A OG1 ASP 156.A O no hydrogen 2.931 N/A TYR 161.A N LYS 157.A O no hydrogen 3.101 N/A MET 162.A N MET 158.A O no hydrogen 2.843 N/A ARG 163.A N TRP 159.A O no hydrogen 2.929 N/A SER 164.A N TYR 161.A O no hydrogen 3.214 N/A ALA 165.A N MET 162.A O no hydrogen 3.399 N/A PHE 170.A N SER 168.A OG no hydrogen 3.108 N/A VAL 171.A N THR 137.A O no hydrogen 3.083 N/A ARG 172.A N GLU 176.A OE1 no hydrogen 2.774 N/A THR 174.A OG1 GLU 13.A OE1 no hydrogen 2.902 N/A THR 174.A OG1 GLU 13.A OE2 no hydrogen 3.083 N/A GLU 176.A N THR 173.A OG1 no hydrogen 3.170 N/A GLY 177.A N THR 173.A O no hydrogen 3.170 N/A VAL 178.A N THR 174.A O no hydrogen 2.971 N/A ALA 179.A N ALA 175.A O no hydrogen 2.927 N/A ARG 180.A N GLU 176.A O no hydrogen 3.005 N/A ARG 180.A NH1 SER 168.A O no hydrogen 2.947 N/A ARG 180.A NH2 SER 168.A O no hydrogen 3.109 N/A VAL 181.A N GLY 177.A O no hydrogen 3.022 N/A ARG 182.A N VAL 178.A O no hydrogen 3.036 N/A ARG 182.A NE ASP 207.A OD1 no hydrogen 2.839 N/A LYS 183.A N ALA 179.A O no hydrogen 3.028 N/A SER 184.A N VAL 181.A O no hydrogen 3.397 N/A SER 184.A OG ARG 180.A O no hydrogen 2.645 N/A LYS 187.A N SER 184.A O no hydrogen 2.920 N/A LYS 187.A NZ GLU 132.A OE2 no hydrogen 3.550 N/A TYR 188.A OH VAL 169.A O no hydrogen 2.671 N/A ALA 189.A N ALA 134.A O no hydrogen 2.872 N/A TYR 190.A N MET 114.A O no hydrogen 2.947 N/A LEU 191.A N GLY 136.A O no hydrogen 2.915 N/A LEU 192.A N SER 112.A O no hydrogen 3.054 N/A SER 194.A N GLY 110.A O no hydrogen 2.729 N/A SER 194.A OG GLY 110.A O no hydrogen 3.249 N/A THR 195.A OG1 TYR 16.A OH.A no hydrogen 3.181 N/A THR 195.A OG1 TYR 220.A OH no hydrogen 2.729 N/A MET 196.A N.B GLU 193.A O no hydrogen 3.049 N/A ASN 197.A N GLU 193.A O no hydrogen 2.969 N/A ASN 197.A ND2 SER 112.A OG no hydrogen 2.925 N/A ASN 197.A ND2 ILE 113.A O no hydrogen 2.983 N/A GLU 198.A N SER 194.A O no hydrogen 2.814 N/A TYR 199.A N THR 195.A O no hydrogen 3.133 N/A ILE 200.A N MET 196.A O.A no hydrogen 3.119 N/A ILE 200.A N MET 196.A O.B no hydrogen 3.047 N/A GLU 201.A N ASN 197.A O no hydrogen 3.025 N/A GLN 202.A N TYR 199.A O no hydrogen 3.053 N/A ARG 203.A N ILE 200.A O no hydrogen 2.969 N/A ARG 203.A NH1 LYS 258.A O no hydrogen 2.994 N/A LYS 204.A N GLU 260.A OE1 no hydrogen 2.847 N/A LYS 204.A NZ GLU 260.A O no hydrogen 3.490 N/A CYS 206.A N ARG 203.A O no hydrogen 2.860 N/A CYS 206.A SG ARG 203.A O no hydrogen 3.864 N/A CYS 206.A SG GLU 260.A O no hydrogen 3.894 N/A MET 209.A N ILE 115.A O no hydrogen 2.953 N/A LYS 210.A N GLU 201.A OE2 no hydrogen 2.896 N/A VAL 211.A N ILE 113.A O no hydrogen 3.101 N/A LEU 215.A N ILE 111.A O no hydrogen 2.794 N/A LYS 218.A N LEU 109.A O no hydrogen 2.869 N/A LYS 218.A NZ ASP 216.A OD2 no hydrogen 2.712 N/A TYR 220.A N MET 107.A O.A no hydrogen 3.002 N/A TYR 220.A N MET 107.A O.B no hydrogen 3.247 N/A TYR 220.A OH GLU 193.A OE1 no hydrogen 2.648 N/A TYR 220.A OH THR 195.A OG1 no hydrogen 2.729 N/A GLY 221.A N LEU 90.A O no hydrogen 3.115 N/A ILE 222.A N SER 103.A OG no hydrogen 2.947 N/A ALA 223.A N ALA 86.A O no hydrogen 3.102 N/A THR 224.A N ASP 101.A O no hydrogen 2.880 N/A LYS 226.A NZ GLU 97.A O no hydrogen 2.614 N/A LYS 226.A NZ ILE 100.A O no hydrogen 3.082 N/A LYS 226.A NZ ASP 101.A OD1 no hydrogen 2.738 N/A GLY 227.A N ASP 101.A OD2 no hydrogen 2.981 N/A SER 228.A N PRO 225.A O no hydrogen 2.926 N/A LEU 230.A N SER 228.A OG no hydrogen 3.033 N/A GLY 231.A N SER 228.A O no hydrogen 3.437 N/A VAL 234.A N LEU 230.A O no hydrogen 3.006 N/A ASN 235.A N GLY 231.A O no hydrogen 3.025 N/A LEU 236.A N ASN 232.A O no hydrogen 3.109 N/A ALA 237.A N ALA 233.A O no hydrogen 2.893 N/A VAL 238.A N VAL 234.A O no hydrogen 2.953 N/A LEU 239.A N ASN 235.A O no hydrogen 3.106 N/A LYS 240.A N LEU 236.A O no hydrogen 2.938 N/A LEU 241.A N ALA 237.A O no hydrogen 2.882 N/A SER 242.A N VAL 238.A O no hydrogen 2.888 N/A GLU 243.A N LEU 239.A O no hydrogen 2.925 N/A GLN 244.A N.A LYS 240.A O no hydrogen 2.946 N/A GLN 244.A N.B LYS 240.A O no hydrogen 2.940 N/A GLY 245.A N SER 242.A O no hydrogen 3.163 N/A LEU 246.A N LEU 241.A O no hydrogen 3.015 N/A LYS 249.A N GLY 245.A O no hydrogen 3.083 N/A LYS 249.A NZ GLY 245.A O no hydrogen 3.469 N/A LEU 250.A N LEU 246.A O no hydrogen 2.868 N/A LYS 251.A N LEU 247.A O no hydrogen 3.012 N/A LYS 251.A NZ GLU 198.A OE1 no hydrogen 3.272 N/A ASN 252.A N ASP 248.A O no hydrogen 2.982 N/A LYS 253.A N LYS 249.A O no hydrogen 2.910 N/A LYS 253.A NZ ASP 38.A OD2 no hydrogen 2.821 N/A TRP 254.A N LEU 250.A O no hydrogen 3.120 N/A TRP 254.A NE1 ASP 38.A OD2 no hydrogen 2.839 N/A TRP 255.A N LYS 251.A O no hydrogen 2.952 N/A TRP 255.A NE1 THR 195.A O no hydrogen 2.844 N/A TYR 256.A N ASN 252.A O no hydrogen 3.063 N/A ASP 257.A N ASN 252.A O no hydrogen 2.752 N/A GLY 259.A N TYR 256.A O no hydrogen 3.140 N/A GLU 260.A N GLN 202.A O no hydrogen 2.741 N/A CYS 261.A SG GLU 201.A O no hydrogen 3.507 N/A