Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2aft_X.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A NE2 ASP 185.A OD2 no hydrogen 3.023 N/A SER 4.A OG.A GLU 50.A OE1 no hydrogen 2.562 N/A LYS 5.A N ALA 2.A O no hydrogen 3.118 N/A LYS 5.A NZ TYR 44.A OH no hydrogen 3.409 N/A VAL 7.A N MET 41.A O no hydrogen 2.862 N/A ILE 9.A N PHE 39.A O no hydrogen 2.681 N/A GLY 12.A N ILE 36.A O no hydrogen 2.958 N/A PHE 14.A N VAL 34.A O no hydrogen 2.871 N/A MET 16.A N ARG 32.A O no hydrogen 2.799 N/A GLY 17.A N GLU 135.A OE2 no hydrogen 2.831 N/A THR 18.A N GLU 28.A O no hydrogen 2.802 N/A ASP 20.A N THR 18.A OG1 no hydrogen 2.881 N/A GLN 22.A N GLU 28.A OE1 no hydrogen 2.896 N/A GLN 22.A NE2 ASP 20.A O no hydrogen 3.026 N/A ILE 23.A N GLU 28.A OE1 no hydrogen 3.342 N/A ASP 26.A N ILE 23.A O no hydrogen 3.058 N/A GLY 27.A N LYS 24.A O no hydrogen 3.196 N/A ALA 31.A N ASP 19.A OD1 no hydrogen 2.885 N/A ARG 32.A N MET 16.A O no hydrogen 2.913 N/A ARG 32.A NH1 PRO 30.A O no hydrogen 2.957 N/A ARG 33.A NH1 THR 15.A OG1 no hydrogen 2.927 N/A VAL 34.A N PHE 14.A O no hydrogen 2.838 N/A THR 35.A N THR 218.A O no hydrogen 2.829 N/A ILE 36.A N GLY 12.A O no hydrogen 2.829 N/A ASP 37.A N ASN 220.A OD1 no hydrogen 2.959 N/A PHE 39.A N ILE 9.A O no hydrogen 3.155 N/A TYR 40.A N ALA 270.A O no hydrogen 2.908 N/A MET 41.A N VAL 7.A O no hydrogen 2.953 N/A ASP 42.A N CYS 268.A O no hydrogen 2.866 N/A ALA 43.A N LYS 5.A O no hydrogen 3.025 N/A VAL 46.A N PHE 266.A O no hydrogen 2.900 N/A ASN 48.A N HIS 107.A O no hydrogen 2.885 N/A ASN 48.A ND2 ARG 104.A O no hydrogen 2.906 N/A THR 49.A N PRO 105.A O no hydrogen 2.955 N/A THR 49.A OG1 PRO 105.A O no hydrogen 3.092 N/A GLU 50.A N SER 47.A OG no hydrogen 3.102 N/A PHE 51.A N SER 47.A O no hydrogen 2.868 N/A GLU 52.A N ASN 48.A O no hydrogen 2.784 N/A LYS 53.A N THR 49.A O no hydrogen 3.029 N/A LYS 53.A NZ GLU 50.A OE2 no hydrogen 2.755 N/A PHE 54.A N GLU 50.A O no hydrogen 3.341 N/A VAL 55.A N PHE 51.A O no hydrogen 2.923 N/A ASN 56.A N GLU 52.A O no hydrogen 2.769 N/A SER 57.A N LYS 53.A O no hydrogen 2.951 N/A THR 58.A N PHE 54.A O no hydrogen 2.906 N/A THR 58.A OG1 PHE 54.A O no hydrogen 2.750 N/A GLY 59.A N VAL 55.A O no hydrogen 2.758 N/A TYR 60.A N THR 58.A OG1 no hydrogen 3.055 N/A TYR 60.A OH ASP 116.A OD1 no hydrogen 2.549 N/A THR 62.A N GLU 65.A OE1 no hydrogen 2.999 N/A THR 62.A OG1 GLU 65.A OE1 no hydrogen 2.559 N/A GLU 63.A N ASP 116.A OD1 no hydrogen 3.086 N/A GLU 65.A N THR 62.A O no hydrogen 2.971 N/A LYS 66.A N THR 62.A O no hydrogen 3.161 N/A PHE 67.A N GLU 63.A O no hydrogen 2.802 N/A GLY 68.A N ALA 64.A O no hydrogen 2.792 N/A SER 70.A N VAL 86.A O no hydrogen 3.196 N/A SER 70.A OG HIS 111.A ND1 no hydrogen 2.672 N/A SER 70.A OG SER 260.A OG no hydrogen 2.664 N/A VAL 72.A N LEU 84.A O no hydrogen 2.892 N/A PHE 73.A N SER 262.A OG no hydrogen 3.308 N/A GLU 74.A N TRP 82.A O no hydrogen 2.743 N/A MET 76.A N PHE 73.A O no hydrogen 2.934 N/A LEU 77.A N GLU 74.A O no hydrogen 3.128 N/A TRP 83.A N ALA 80.A O no hydrogen 2.963 N/A LEU 84.A N VAL 72.A O no hydrogen 2.901 N/A VAL 86.A N SER 70.A O no hydrogen 2.857 N/A LYS 87.A NZ.B ASP 69.A OD2 no hydrogen 3.353 N/A GLY 88.A N GLY 68.A O no hydrogen 2.843 N/A ALA 89.A N VAL 86.A O no hydrogen 3.247 N/A ASN 90.A N HIS 93.A O no hydrogen 3.133 N/A ARG 92.A N ASN 90.A OD1 no hydrogen 3.031 N/A ARG 92.A NH1 GLU 52.A OE2 no hydrogen 3.129 N/A HIS 93.A N ASN 90.A O no hydrogen 2.900 N/A HIS 93.A ND1 SER 99.A O no hydrogen 2.787 N/A GLU 95.A N SER 99.A OG no hydrogen 2.928 N/A GLY 96.A N HIS 93.A O no hydrogen 3.024 N/A SER 99.A N GLY 96.A O no hydrogen 2.943 N/A SER 99.A OG GLY 96.A O no hydrogen 2.644 N/A LEU 102.A N THR 100.A OG1 no hydrogen 3.102 N/A ARG 104.A N ILE 101.A O no hydrogen 2.976 N/A ARG 104.A NE THR 100.A O no hydrogen 2.941 N/A ARG 104.A NH1 GLU 95.A OE2 no hydrogen 3.095 N/A ARG 104.A NH2 GLU 95.A OE1 no hydrogen 2.931 N/A ARG 104.A NH2 GLU 95.A OE2 no hydrogen 3.502 N/A ARG 104.A NH2 THR 100.A O no hydrogen 2.914 N/A HIS 107.A N ARG 104.A O no hydrogen 3.278 N/A HIS 107.A ND1 THR 181.A OG1 no hydrogen 2.749 N/A VAL 109.A N VAL 46.A O no hydrogen 2.834 N/A HIS 111.A N ALA 261.A O no hydrogen 3.132 N/A HIS 111.A ND1 SER 70.A OG no hydrogen 2.672 N/A HIS 111.A NE2 PRO 94.A O no hydrogen 2.748 N/A SER 113.A N ASP 116.A OD2 no hydrogen 2.809 N/A SER 113.A OG GLU 63.A OE2 no hydrogen 2.690 N/A TRP 114.A N PRO 257.A O no hydrogen 2.971 N/A TRP 114.A NE1 THR 205.A O no hydrogen 2.943 N/A ASN 115.A ND2 GLU 63.A OE2 no hydrogen 2.895 N/A ASP 116.A N SER 113.A OG no hydrogen 3.008 N/A ALA 117.A N SER 113.A O no hydrogen 2.929 N/A VAL 118.A N TRP 114.A O no hydrogen 2.947 N/A ALA 119.A N ASN 115.A O no hydrogen 2.927 N/A TYR 120.A N ASP 116.A O no hydrogen 2.998 N/A CYS 121.A N ALA 117.A O no hydrogen 2.865 N/A CYS 121.A SG ALA 117.A O no hydrogen 3.436 N/A CYS 121.A SG ARG 127.A O no hydrogen 3.780 N/A THR 122.A N VAL 118.A O no hydrogen 2.956 N/A THR 122.A OG1.A VAL 118.A O no hydrogen 2.852 N/A THR 122.A OG1.A ALA 119.A O no hydrogen 3.037 N/A THR 122.A OG1.B VAL 118.A O no hydrogen 2.633 N/A TRP 123.A N ALA 119.A O no hydrogen 2.890 N/A TRP 123.A NE1 SER 57.A OG no hydrogen 3.190 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 2.982 N/A LYS 126.A N CYS 121.A O no hydrogen 2.817 N/A LYS 126.A NZ SER 4.A O no hydrogen 3.116 N/A LYS 126.A NZ ASP 42.A OD1 no hydrogen 2.894 N/A ARG 127.A N ALA 269.A O no hydrogen 2.834 N/A ARG 127.A NE ASP 271.A OD1.A no hydrogen 3.131 N/A ARG 127.A NE ASP 271.A OD2.B no hydrogen 3.031 N/A ARG 127.A NH1 LEU 128.A O no hydrogen 3.173 N/A ARG 127.A NH1 GLU 133.A OE1 no hydrogen 2.779 N/A ARG 127.A NH2 GLU 133.A OE1 no hydrogen 3.530 N/A ARG 127.A NH2 GLU 133.A OE2 no hydrogen 2.958 N/A ARG 127.A NH2 ASP 271.A OD1.A no hydrogen 2.836 N/A ARG 127.A NH2 ASP 271.A OD1.B no hydrogen 3.353 N/A THR 130.A N GLU 133.A OE1 no hydrogen 3.026 N/A GLU 131.A N ASP 207.A OD1 no hydrogen 2.873 N/A GLU 133.A N THR 130.A OG1 no hydrogen 2.841 N/A TRP 134.A N THR 130.A O no hydrogen 2.834 N/A TRP 134.A NE1 GLU 203.A OE1 no hydrogen 2.858 N/A GLU 135.A N GLU 131.A O no hydrogen 2.759 N/A TYR 136.A N ALA 132.A O no hydrogen 2.950 N/A TYR 136.A OH PRO 10.A O no hydrogen 2.678 N/A SER 137.A N GLU 133.A O no hydrogen 2.941 N/A SER 137.A OG GLU 133.A O no hydrogen 2.879 N/A CYS 138.A N TRP 134.A O no hydrogen 2.806 N/A ARG 139.A N GLU 135.A O no hydrogen 2.948 N/A ARG 139.A N TYR 136.A O no hydrogen 3.237 N/A ARG 139.A NE GLU 135.A OE2 no hydrogen 3.127 N/A ARG 139.A NH2 GLU 135.A OE2 no hydrogen 3.056 N/A GLY 140.A N SER 137.A O no hydrogen 3.044 N/A LEU 142.A N ARG 139.A O no hydrogen 3.192 N/A ARG 145.A NH1 HIS 143.A O no hydrogen 2.874 N/A LEU 146.A N ASN 151.A OD1 no hydrogen 2.881 N/A PHE 147.A N GLY 150.A O no hydrogen 2.858 N/A TRP 149.A NE1 LYS 152.A O no hydrogen 2.757 N/A GLY 150.A N PHE 147.A O no hydrogen 3.122 N/A LYS 156.A NZ.B GLN 158.A OE1 no hydrogen 3.118 N/A LYS 156.A NZ.B TYR 160.A OH no hydrogen 2.683 N/A GLY 157.A N GLN 154.A O no hydrogen 3.004 N/A GLN 158.A N PRO 155.A O no hydrogen 2.928 N/A HIS 159.A NE2 GLU 175.A OE2 no hydrogen 2.866 N/A ASN 162.A ND2 GLY 180.A O no hydrogen 2.844 N/A ASN 162.A ND2 ASN 200.A OD1 no hydrogen 2.889 N/A ILE 163.A N ASP 176.A OD2 no hydrogen 3.122 N/A TRP 164.A N SER 239.A O no hydrogen 2.863 N/A GLN 165.A NE2 ASP 176.A OD2 no hydrogen 2.924 N/A THR 171.A N GLU 167.A O no hydrogen 2.858 N/A THR 173.A N GLN 165.A O no hydrogen 2.878 N/A THR 173.A OG1 GLN 165.A O no hydrogen 3.493 N/A GLY 174.A N ASN 172.A OD1 no hydrogen 3.132 N/A GLU 175.A N THR 173.A OG1 no hydrogen 3.311 N/A ASP 176.A N GLN 165.A OE1 no hydrogen 2.947 N/A GLY 177.A N GLY 174.A O no hydrogen 2.982 N/A PHE 178.A N ASP 176.A OD1 no hydrogen 3.046 N/A GLN 179.A NE2 ASN 172.A O no hydrogen 2.991 N/A THR 181.A OG1 HIS 107.A ND1 no hydrogen 2.749 N/A ALA 182.A N ASN 200.A OD1 no hydrogen 2.724 N/A VAL 184.A N ASP 106.A O.A no hydrogen 2.757 N/A VAL 184.A N ASP 106.A O.B no hydrogen 2.940 N/A ALA 186.A N PRO 183.A O no hydrogen 2.993 N/A ASN 190.A N LEU 194.A O no hydrogen 2.952 N/A ASN 190.A ND2 SER 137.A O no hydrogen 2.868 N/A ASN 190.A ND2 CYS 138.A O no hydrogen 3.066 N/A TYR 192.A N ASN 190.A OD1 no hydrogen 3.025 N/A GLY 193.A N ASN 190.A O no hydrogen 2.940 N/A LEU 194.A N ASN 190.A OD1 no hydrogen 3.096 N/A TYR 195.A N ALA 43.A O no hydrogen 2.819 N/A ASN 196.A ND2 VAL 184.A O no hydrogen 2.892 N/A ASN 196.A ND2 ALA 186.A O no hydrogen 2.977 N/A GLY 199.A N GLY 234.A O no hydrogen 2.826 N/A ASN 200.A N ASN 162.A O no hydrogen 2.883 N/A ASN 200.A ND2 GLU 45.A OE1 no hydrogen 2.809 N/A ASN 200.A ND2 ALA 182.A O no hydrogen 2.943 N/A ALA 201.A N GLU 45.A OE2 no hydrogen 2.975 N/A TRP 202.A N ASN 263.A O no hydrogen 2.811 N/A GLU 203.A N LYS 233.A O no hydrogen 2.943 N/A TRP 204.A N GLY 265.A O no hydrogen 3.166 N/A TRP 204.A NE1 VAL 112.A O no hydrogen 2.984 N/A THR 205.A N VAL 231.A O no hydrogen 2.894 N/A THR 205.A OG1 VAL 231.A O no hydrogen 2.923 N/A SER 206.A N PRO 129.A O no hydrogen 2.800 N/A SER 206.A OG PRO 129.A O no hydrogen 3.237 N/A SER 206.A OG ASP 207.A OD1 no hydrogen 3.511 N/A TRP 209.A N ASP 229.A O no hydrogen 2.786 N/A HIS 212.A N THR 210.A OG1 no hydrogen 2.977 N/A HIS 213.A NE2 GLY 27.A O no hydrogen 2.877 N/A SER 214.A OG.B GLU 216.A OE1 no hydrogen 2.761 N/A GLU 216.A N SER 214.A OG.B no hydrogen 2.770 N/A THR 218.A N ARG 33.A O no hydrogen 3.322 N/A ASN 220.A N THR 35.A O no hydrogen 2.823 N/A ASN 220.A ND2 ASP 37.A OD2 no hydrogen 2.748 N/A LYS 228.A NZ ASP 229.A OD2.A no hydrogen 3.125 N/A ARG 230.A N ASN 255.A O no hydrogen 2.863 N/A ARG 230.A NH1 SER 206.A O no hydrogen 2.885 N/A VAL 231.A N ASP 207.A O no hydrogen 2.913 N/A LYS 232.A N SER 253.A O no hydrogen 2.905 N/A LYS 232.A NZ ASN 255.A OD1 no hydrogen 2.798 N/A LYS 233.A N GLU 203.A O no hydrogen 2.862 N/A LYS 233.A NZ GLU 131.A OE2 no hydrogen 2.823 N/A LYS 233.A NZ GLU 135.A OE1 no hydrogen 2.814 N/A LYS 233.A NZ CYS 249.A O no hydrogen 3.187 N/A LYS 233.A NZ ALA 251.A O no hydrogen 2.782 N/A SER 236.A N SER 239.A OG no hydrogen 2.966 N/A TYR 237.A N ASN 200.A O no hydrogen 2.832 N/A TYR 237.A OH SER 262.A O no hydrogen 3.158 N/A MET 238.A N SER 236.A OG no hydrogen 3.066 N/A SER 239.A N SER 236.A O no hydrogen 2.922 N/A SER 239.A OG SER 236.A O no hydrogen 3.272 N/A HIS 240.A N CYS 244.A O no hydrogen 3.186 N/A HIS 240.A ND1 SER 242.A OG no hydrogen 2.967 N/A ARG 241.A NH1 ARG 241.A O no hydrogen 3.066 N/A SER 242.A N HIS 240.A ND1 no hydrogen 3.000 N/A SER 242.A OG HIS 240.A ND1 no hydrogen 2.967 N/A TYR 243.A N HIS 240.A O no hydrogen 3.202 N/A TYR 243.A OH MET 238.A O no hydrogen 2.530 N/A CYS 244.A N HIS 240.A O no hydrogen 2.965 N/A CYS 244.A SG SER 239.A OG no hydrogen 3.744 N/A ARG 246.A NE ASP 26.A OD2 no hydrogen 2.829 N/A ARG 246.A NH2 ASP 26.A OD2 no hydrogen 2.925 N/A ARG 248.A NE TYR 245.A O no hydrogen 2.946 N/A ARG 248.A NH1 GLU 28.A OE1 no hydrogen 2.916 N/A ARG 248.A NH1 GLU 28.A OE2 no hydrogen 3.391 N/A ARG 248.A NH2 GLU 28.A OE2 no hydrogen 2.839 N/A ARG 248.A NH2 TYR 245.A O no hydrogen 2.760 N/A CYS 249.A N LEU 146.A O no hydrogen 3.245 N/A ALA 251.A N ARG 248.A O no hydrogen 3.119 N/A ARG 252.A NE GLU 131.A OE2 no hydrogen 2.821 N/A ARG 252.A NH1 ASP 26.A O no hydrogen 2.943 N/A ARG 252.A NH1 THR 210.A O no hydrogen 2.824 N/A ARG 252.A NH2 GLU 131.A OE1 no hydrogen 2.845 N/A ARG 252.A NH2 THR 210.A O no hydrogen 3.253 N/A SER 253.A N LYS 232.A O no hydrogen 3.085 N/A SER 253.A OG.A GLN 254.A OE1.A no hydrogen 3.336 N/A SER 253.A OG.B ARG 252.A O no hydrogen 2.917 N/A ASN 255.A N ARG 230.A O no hydrogen 3.172 N/A THR 256.A OG1 ASP 258.A OD1 no hydrogen 2.804 N/A THR 256.A OG1 SER 259.A OG no hydrogen 2.732 N/A SER 259.A N THR 256.A O no hydrogen 2.835 N/A SER 259.A OG THR 256.A O no hydrogen 2.956 N/A SER 259.A OG THR 256.A OG1 no hydrogen 2.732 N/A SER 260.A OG SER 70.A OG no hydrogen 2.664 N/A SER 262.A N PHE 71.A O no hydrogen 2.876 N/A LEU 264.A N ALA 261.A O no hydrogen 3.376 N/A GLY 265.A N TRP 202.A O no hydrogen 2.757 N/A ARG 267.A NE GLU 203.A OE1 no hydrogen 2.787 N/A ARG 267.A NH1 ASP 42.A O no hydrogen 3.102 N/A ARG 267.A NH1 ALA 43.A O no hydrogen 2.941 N/A ARG 267.A NH1 TYR 195.A O no hydrogen 3.428 N/A ARG 267.A NH2 TYR 195.A O no hydrogen 2.827 N/A ARG 267.A NH2 GLU 203.A OE1 no hydrogen 3.447 N/A ARG 267.A NH2 GLU 203.A OE2 no hydrogen 2.943 N/A CYS 268.A N ASP 42.A OD2 no hydrogen 2.937 N/A ALA 269.A N ARG 127.A O no hydrogen 2.740 N/A ALA 270.A N TYR 40.A O no hydrogen 2.882 N/A