Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2afy_X.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A NE2 ASP 185.A OD2 no hydrogen 3.099 N/A SER 4.A OG.A GLU 50.A OE1 no hydrogen 2.588 N/A LYS 5.A N ALA 2.A O no hydrogen 3.063 N/A LYS 5.A NZ TYR 44.A OH no hydrogen 3.293 N/A VAL 7.A N MET 41.A O no hydrogen 2.864 N/A ILE 9.A N PHE 39.A O no hydrogen 2.789 N/A GLY 12.A N ILE 36.A O no hydrogen 3.014 N/A PHE 14.A N VAL 34.A O no hydrogen 2.848 N/A MET 16.A N ARG 32.A O no hydrogen 2.837 N/A GLY 17.A N GLU 135.A OE2 no hydrogen 2.863 N/A THR 18.A N GLU 28.A O no hydrogen 2.785 N/A ASP 20.A N THR 18.A OG1 no hydrogen 2.904 N/A GLN 22.A N GLU 28.A OE1 no hydrogen 2.924 N/A GLN 22.A NE2 ASP 20.A O no hydrogen 3.010 N/A ILE 23.A N GLU 28.A OE1 no hydrogen 3.280 N/A ASP 26.A N ILE 23.A O no hydrogen 3.083 N/A GLY 27.A N LYS 24.A O no hydrogen 3.112 N/A ALA 31.A N ASP 19.A OD1 no hydrogen 2.958 N/A ARG 32.A N MET 16.A O no hydrogen 2.916 N/A ARG 32.A NH1 PRO 30.A O no hydrogen 2.922 N/A ARG 33.A NH1 THR 15.A OG1 no hydrogen 2.909 N/A VAL 34.A N PHE 14.A O no hydrogen 2.867 N/A THR 35.A N THR 218.A O no hydrogen 2.846 N/A ILE 36.A N GLY 12.A O no hydrogen 2.839 N/A ASP 37.A N ASN 220.A OD1 no hydrogen 2.926 N/A PHE 39.A N ILE 9.A O no hydrogen 3.149 N/A TYR 40.A N ALA 269.A O no hydrogen 2.881 N/A MET 41.A N VAL 7.A O no hydrogen 2.929 N/A ASP 42.A N CYS 267.A O no hydrogen 2.847 N/A ALA 43.A N LYS 5.A O no hydrogen 2.990 N/A VAL 46.A N PHE 265.A O no hydrogen 2.916 N/A ASN 48.A N HIS 107.A O no hydrogen 2.871 N/A ASN 48.A ND2 ARG 104.A O no hydrogen 2.899 N/A THR 49.A N PRO 105.A O no hydrogen 2.960 N/A THR 49.A OG1 PRO 105.A O no hydrogen 3.088 N/A GLU 50.A N SER 47.A OG no hydrogen 3.111 N/A PHE 51.A N SER 47.A O no hydrogen 2.919 N/A GLU 52.A N ASN 48.A O no hydrogen 2.831 N/A LYS 53.A N THR 49.A O no hydrogen 3.090 N/A LYS 53.A NZ GLU 50.A OE2 no hydrogen 2.773 N/A PHE 54.A N GLU 50.A O no hydrogen 3.321 N/A VAL 55.A N PHE 51.A O no hydrogen 2.891 N/A ASN 56.A N GLU 52.A O no hydrogen 2.776 N/A SER 57.A N LYS 53.A O no hydrogen 2.965 N/A THR 58.A N PHE 54.A O no hydrogen 2.987 N/A THR 58.A OG1 PHE 54.A O no hydrogen 2.851 N/A GLY 59.A N VAL 55.A O no hydrogen 2.767 N/A TYR 60.A N THR 58.A OG1 no hydrogen 3.010 N/A TYR 60.A OH ASP 116.A OD1 no hydrogen 2.547 N/A THR 62.A N GLU 65.A OE1 no hydrogen 2.950 N/A THR 62.A OG1 GLU 65.A OE1 no hydrogen 2.634 N/A GLU 63.A N ASP 116.A OD1 no hydrogen 3.058 N/A LYS 66.A N THR 62.A O no hydrogen 3.171 N/A PHE 67.A N GLU 63.A O no hydrogen 2.815 N/A GLY 68.A N ALA 64.A O no hydrogen 2.857 N/A SER 70.A N VAL 86.A O no hydrogen 3.234 N/A SER 70.A OG HIS 111.A ND1 no hydrogen 2.675 N/A SER 70.A OG SER 259.A OG no hydrogen 2.686 N/A VAL 72.A N LEU 84.A O no hydrogen 2.866 N/A PHE 73.A N SER 261.A OG no hydrogen 3.365 N/A GLU 74.A N TRP 82.A O no hydrogen 2.721 N/A MET 76.A N PHE 73.A O no hydrogen 3.031 N/A LEU 77.A N GLU 74.A O no hydrogen 3.138 N/A TRP 83.A N ALA 80.A O no hydrogen 2.997 N/A LEU 84.A N VAL 72.A O no hydrogen 2.966 N/A VAL 86.A N SER 70.A O no hydrogen 2.877 N/A GLY 88.A N GLY 68.A O no hydrogen 2.822 N/A ALA 89.A N VAL 86.A O no hydrogen 3.223 N/A ASN 90.A N HIS 93.A O no hydrogen 3.121 N/A ARG 92.A N ASN 90.A OD1 no hydrogen 3.073 N/A ARG 92.A NH1 GLU 52.A OE2 no hydrogen 3.138 N/A HIS 93.A N ASN 90.A O no hydrogen 2.912 N/A HIS 93.A ND1 SER 99.A O no hydrogen 2.865 N/A GLU 95.A N SER 99.A OG no hydrogen 2.934 N/A GLY 96.A N HIS 93.A O no hydrogen 3.003 N/A SER 99.A N GLY 96.A O no hydrogen 3.028 N/A SER 99.A OG GLY 96.A O no hydrogen 2.659 N/A LEU 102.A N THR 100.A OG1 no hydrogen 3.150 N/A ARG 104.A N ILE 101.A O no hydrogen 2.989 N/A ARG 104.A NE THR 100.A O no hydrogen 2.929 N/A ARG 104.A NH1 GLU 95.A OE2 no hydrogen 3.022 N/A ARG 104.A NH2 GLU 95.A OE1 no hydrogen 2.869 N/A ARG 104.A NH2 GLU 95.A OE2 no hydrogen 3.488 N/A ARG 104.A NH2 THR 100.A O no hydrogen 2.925 N/A HIS 107.A N ARG 104.A O no hydrogen 3.273 N/A HIS 107.A ND1 THR 181.A OG1 no hydrogen 2.699 N/A VAL 109.A N VAL 46.A O no hydrogen 2.874 N/A HIS 111.A N ALA 260.A O no hydrogen 3.058 N/A HIS 111.A ND1 SER 70.A OG no hydrogen 2.675 N/A HIS 111.A NE2 PRO 94.A O no hydrogen 2.768 N/A SER 113.A N ASP 116.A OD2 no hydrogen 2.810 N/A SER 113.A OG GLU 63.A OE2 no hydrogen 2.664 N/A TRP 114.A N PRO 256.A O no hydrogen 2.973 N/A TRP 114.A NE1 THR 205.A O no hydrogen 2.897 N/A ASN 115.A ND2 GLU 63.A OE2 no hydrogen 2.885 N/A ASP 116.A N SER 113.A OG no hydrogen 3.044 N/A ALA 117.A N SER 113.A O no hydrogen 2.909 N/A VAL 118.A N TRP 114.A O no hydrogen 2.920 N/A ALA 119.A N ASN 115.A O no hydrogen 2.987 N/A TYR 120.A N ASP 116.A O no hydrogen 2.995 N/A CYS 121.A N ALA 117.A O no hydrogen 2.887 N/A CYS 121.A SG ALA 117.A O no hydrogen 3.425 N/A THR 122.A N VAL 118.A O no hydrogen 2.904 N/A THR 122.A OG1.A VAL 118.A O no hydrogen 2.802 N/A THR 122.A OG1.A ALA 119.A O no hydrogen 2.985 N/A THR 122.A OG1.B VAL 118.A O no hydrogen 2.566 N/A TRP 123.A N ALA 119.A O no hydrogen 2.934 N/A TRP 123.A NE1 SER 57.A OG no hydrogen 3.142 N/A ALA 124.A N TYR 120.A O no hydrogen 2.933 N/A GLY 125.A N THR 122.A O no hydrogen 2.998 N/A LYS 126.A N CYS 121.A O no hydrogen 2.776 N/A LYS 126.A NZ SER 4.A O no hydrogen 3.029 N/A LYS 126.A NZ ASP 42.A OD1 no hydrogen 2.848 N/A ARG 127.A N ALA 268.A O no hydrogen 2.868 N/A ARG 127.A NE ASP 270.A OD1.A no hydrogen 3.030 N/A ARG 127.A NE ASP 270.A OD2.B no hydrogen 3.282 N/A ARG 127.A NH1 LEU 128.A O no hydrogen 3.123 N/A ARG 127.A NH1 GLU 133.A OE1 no hydrogen 2.748 N/A ARG 127.A NH2 GLU 133.A OE1 no hydrogen 3.458 N/A ARG 127.A NH2 GLU 133.A OE2 no hydrogen 2.946 N/A ARG 127.A NH2 ASP 270.A OD1.A no hydrogen 2.950 N/A ARG 127.A NH2 ASP 270.A OD1.B no hydrogen 3.147 N/A THR 130.A N GLU 133.A OE1 no hydrogen 3.004 N/A GLU 131.A N ASP 207.A OD1 no hydrogen 2.849 N/A GLU 133.A N THR 130.A OG1 no hydrogen 2.874 N/A TRP 134.A N THR 130.A O no hydrogen 2.875 N/A TRP 134.A NE1 GLU 203.A OE1 no hydrogen 2.887 N/A GLU 135.A N GLU 131.A O no hydrogen 2.794 N/A TYR 136.A N ALA 132.A O no hydrogen 2.929 N/A TYR 136.A OH PRO 10.A O no hydrogen 2.690 N/A SER 137.A N GLU 133.A O no hydrogen 2.933 N/A SER 137.A OG GLU 133.A O no hydrogen 2.759 N/A CYS 138.A N TRP 134.A O no hydrogen 2.822 N/A ARG 139.A N GLU 135.A O no hydrogen 2.958 N/A ARG 139.A NE GLU 135.A OE2 no hydrogen 3.112 N/A ARG 139.A NH1 ARG 145.A O no hydrogen 3.124 N/A ARG 139.A NH2 GLU 135.A OE2 no hydrogen 2.953 N/A GLY 140.A N SER 137.A O no hydrogen 3.101 N/A LEU 142.A N ARG 139.A O no hydrogen 3.150 N/A ARG 145.A NH1 HIS 143.A O no hydrogen 2.810 N/A LEU 146.A N ASN 151.A OD1 no hydrogen 2.824 N/A PHE 147.A N GLY 150.A O no hydrogen 2.920 N/A TRP 149.A NE1 LYS 152.A O no hydrogen 2.743 N/A GLY 150.A N PHE 147.A O no hydrogen 3.123 N/A LYS 156.A NZ.B GLN 158.A OE1 no hydrogen 3.120 N/A LYS 156.A NZ.B TYR 160.A OH no hydrogen 2.753 N/A GLY 157.A N GLN 154.A O no hydrogen 2.995 N/A GLN 158.A N PRO 155.A O no hydrogen 2.974 N/A HIS 159.A NE2 GLU 175.A OE2 no hydrogen 2.864 N/A ASN 162.A ND2 GLY 180.A O no hydrogen 2.902 N/A ASN 162.A ND2 ASN 200.A OD1 no hydrogen 2.857 N/A ILE 163.A N ASP 176.A OD2 no hydrogen 3.163 N/A GLN 165.A NE2 ASP 176.A OD2 no hydrogen 2.883 N/A THR 171.A N GLU 167.A O no hydrogen 2.885 N/A THR 173.A N GLN 165.A O no hydrogen 2.864 N/A THR 173.A OG1 GLN 165.A O no hydrogen 3.477 N/A GLY 174.A N ASN 172.A OD1 no hydrogen 3.070 N/A GLU 175.A N THR 173.A OG1 no hydrogen 3.289 N/A ASP 176.A N GLN 165.A OE1 no hydrogen 2.985 N/A GLY 177.A N GLY 174.A O no hydrogen 2.935 N/A PHE 178.A N ASP 176.A OD1 no hydrogen 3.081 N/A GLN 179.A NE2 ASN 172.A O no hydrogen 2.948 N/A THR 181.A OG1 HIS 107.A ND1 no hydrogen 2.699 N/A ALA 182.A N ASN 200.A OD1 no hydrogen 2.752 N/A VAL 184.A N ASP 106.A O no hydrogen 2.789 N/A ALA 186.A N PRO 183.A O no hydrogen 3.004 N/A ASN 190.A N LEU 194.A O no hydrogen 2.864 N/A ASN 190.A ND2 SER 137.A O no hydrogen 2.901 N/A ASN 190.A ND2 CYS 138.A O no hydrogen 3.044 N/A TYR 192.A N ASN 190.A OD1 no hydrogen 2.980 N/A GLY 193.A N ASN 190.A O no hydrogen 2.917 N/A LEU 194.A N ASN 190.A OD1 no hydrogen 3.052 N/A TYR 195.A N ALA 43.A O no hydrogen 2.907 N/A ASN 196.A ND2 VAL 184.A O no hydrogen 2.938 N/A ASN 196.A ND2 ALA 186.A O no hydrogen 2.928 N/A GLY 199.A N GLY 234.A O no hydrogen 2.844 N/A ASN 200.A N ASN 162.A O no hydrogen 2.934 N/A ASN 200.A ND2 GLU 45.A OE1 no hydrogen 2.876 N/A ASN 200.A ND2 ALA 182.A O no hydrogen 2.971 N/A ALA 201.A N GLU 45.A OE2 no hydrogen 2.990 N/A TRP 202.A N ASN 262.A O no hydrogen 2.854 N/A GLU 203.A N LYS 233.A O no hydrogen 2.945 N/A TRP 204.A N GLY 264.A O no hydrogen 3.168 N/A TRP 204.A NE1 VAL 112.A O no hydrogen 3.003 N/A THR 205.A N VAL 231.A O no hydrogen 2.929 N/A THR 205.A OG1 VAL 231.A O no hydrogen 2.875 N/A SER 206.A N PRO 129.A O no hydrogen 2.863 N/A SER 206.A OG PRO 129.A O no hydrogen 3.382 N/A TRP 209.A N ASP 229.A O no hydrogen 2.778 N/A HIS 212.A N THR 210.A OG1 no hydrogen 3.050 N/A HIS 213.A NE2 GLY 27.A O no hydrogen 2.859 N/A SER 214.A OG.A GLU 216.A OE1 no hydrogen 2.695 N/A SER 214.A OG.B GLU 216.A OE1 no hydrogen 2.964 N/A GLU 216.A N SER 214.A OG.B no hydrogen 2.832 N/A THR 218.A N ARG 33.A O no hydrogen 3.349 N/A ASN 220.A N THR 35.A O no hydrogen 2.803 N/A ASN 220.A ND2 ASP 37.A OD2 no hydrogen 2.814 N/A LYS 228.A NZ ASP 229.A OD2.A no hydrogen 3.429 N/A ARG 230.A N ASN 254.A O no hydrogen 2.839 N/A VAL 231.A N ASP 207.A O no hydrogen 2.912 N/A LYS 232.A N SER 252.A O no hydrogen 2.893 N/A LYS 232.A NZ ASN 254.A OD1 no hydrogen 2.675 N/A LYS 233.A N GLU 203.A O no hydrogen 2.910 N/A LYS 233.A NZ GLU 131.A OE2 no hydrogen 2.889 N/A LYS 233.A NZ GLU 135.A OE1 no hydrogen 2.829 N/A LYS 233.A NZ CYS 248.A O no hydrogen 3.137 N/A LYS 233.A NZ ALA 250.A O no hydrogen 2.825 N/A TYR 237.A N ASN 200.A O no hydrogen 2.846 N/A TYR 237.A OH SER 261.A O no hydrogen 3.080 N/A MET 238.A N SER 236.A OG no hydrogen 3.148 N/A ARG 240.A NH1 ARG 240.A O no hydrogen 3.116 N/A SER 241.A N HIS 239.A ND1 no hydrogen 2.921 N/A SER 241.A OG HIS 239.A ND1 no hydrogen 3.106 N/A TYR 242.A N HIS 239.A O no hydrogen 3.139 N/A TYR 242.A OH MET 238.A O no hydrogen 2.643 N/A SER 243.A N HIS 239.A O no hydrogen 2.828 N/A ARG 245.A NE ASP 26.A OD2 no hydrogen 2.894 N/A ARG 245.A NH1 SER 243.A OG no hydrogen 3.033 N/A ARG 245.A NH2 ASP 26.A OD2 no hydrogen 3.023 N/A ARG 247.A NE TYR 244.A O no hydrogen 2.949 N/A ARG 247.A NH1 GLU 28.A OE1 no hydrogen 2.955 N/A ARG 247.A NH1 GLU 28.A OE2 no hydrogen 3.393 N/A ARG 247.A NH2 GLU 28.A OE1 no hydrogen 3.559 N/A ARG 247.A NH2 GLU 28.A OE2 no hydrogen 2.749 N/A ARG 247.A NH2 TYR 244.A O no hydrogen 2.793 N/A CYS 248.A N LEU 146.A O no hydrogen 3.164 N/A ALA 250.A N ARG 247.A O no hydrogen 3.108 N/A ARG 251.A NE GLU 131.A OE2 no hydrogen 2.818 N/A ARG 251.A NH1 ASP 26.A O no hydrogen 2.900 N/A ARG 251.A NH1 THR 210.A O no hydrogen 2.933 N/A ARG 251.A NH2 GLU 131.A OE1 no hydrogen 2.900 N/A ARG 251.A NH2 THR 210.A O no hydrogen 3.257 N/A SER 252.A N LYS 232.A O no hydrogen 3.045 N/A SER 252.A OG.A GLN 253.A OE1.A no hydrogen 3.277 N/A SER 252.A OG.B ARG 251.A O no hydrogen 2.899 N/A GLN 253.A N.A SER 252.A OG.A no hydrogen 2.763 N/A GLN 253.A N.B SER 252.A OG.A no hydrogen 2.751 N/A ASN 254.A N ARG 230.A O no hydrogen 3.131 N/A THR 255.A OG1 ASP 257.A OD1 no hydrogen 2.924 N/A THR 255.A OG1 SER 258.A OG no hydrogen 2.625 N/A SER 258.A N THR 255.A O no hydrogen 2.899 N/A SER 258.A OG THR 255.A O no hydrogen 2.896 N/A SER 258.A OG THR 255.A OG1 no hydrogen 2.625 N/A SER 259.A OG SER 70.A OG no hydrogen 2.686 N/A SER 261.A N PHE 71.A O no hydrogen 2.902 N/A ASN 262.A ND2 SER 236.A OG no hydrogen 3.344 N/A LEU 263.A N ALA 260.A O no hydrogen 3.398 N/A GLY 264.A N TRP 202.A O no hydrogen 2.766 N/A ARG 266.A NE GLU 203.A OE1 no hydrogen 2.785 N/A ARG 266.A NH1 ASP 42.A O no hydrogen 3.085 N/A ARG 266.A NH1 ALA 43.A O no hydrogen 2.943 N/A ARG 266.A NH1 TYR 195.A O no hydrogen 3.402 N/A ARG 266.A NH2 TYR 195.A O no hydrogen 2.820 N/A ARG 266.A NH2 GLU 203.A OE1 no hydrogen 3.452 N/A ARG 266.A NH2 GLU 203.A OE2 no hydrogen 2.904 N/A CYS 267.A N ASP 42.A OD2 no hydrogen 2.929 N/A ALA 268.A N ARG 127.A O no hydrogen 2.727 N/A ALA 269.A N TYR 40.A O no hydrogen 2.866 N/A