Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dxf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N LYS 28.A O no hydrogen 2.715 N/A VAL 5.A N ALA 71.A O no hydrogen 2.898 N/A VAL 6.A N ARG 30.A O no hydrogen 2.750 N/A PHE 7.A N PHE 73.A O no hydrogen 2.922 N/A GLY 9.A N VAL 32.A O no hydrogen 3.117 N/A GLY 11.A N GLY 8.A O no hydrogen 2.635 N/A GLN 13.A NE2 SER 108.A OG no hydrogen 2.416 N/A GLY 15.A N GLY 11.A O no hydrogen 2.969 N/A SER 16.A N ALA 12.A O no hydrogen 3.203 N/A SER 16.A OG VAL 186.A O no hydrogen 3.466 N/A SER 16.A OG SER 187.A O no hydrogen 2.947 N/A VAL 17.A N GLN 13.A O no hydrogen 3.088 N/A ALA 18.A N GLY 14.A O no hydrogen 2.895 N/A ARG 19.A N GLY 15.A O no hydrogen 3.138 N/A THR 20.A N SER 16.A O no hydrogen 3.128 N/A THR 20.A OG1 SER 16.A O no hydrogen 3.027 N/A LEU 21.A N VAL 17.A O no hydrogen 3.013 N/A LEU 22.A N ALA 18.A O no hydrogen 2.984 N/A GLU 23.A N ARG 19.A O no hydrogen 2.933 N/A ASP 24.A N THR 20.A O no hydrogen 2.789 N/A GLY 25.A N LEU 21.A O no hydrogen 2.970 N/A THR 26.A N ASP 24.A OD2 no hydrogen 3.380 N/A THR 26.A OG1 ASP 24.A OD2 no hydrogen 2.606 N/A LYS 28.A N LYS 2.A O no hydrogen 2.648 N/A ARG 30.A N VAL 4.A O no hydrogen 3.016 N/A ARG 30.A NE GLU 50.A OE1 no hydrogen 3.018 N/A ARG 30.A NH1 ALA 65.A O no hydrogen 2.572 N/A ARG 30.A NH1 ASN 67.A O no hydrogen 2.954 N/A ARG 30.A NH2 GLU 50.A OE1 no hydrogen 3.411 N/A VAL 31.A N GLU 50.A O no hydrogen 2.634 N/A VAL 32.A N VAL 6.A O no hydrogen 2.697 N/A THR 33.A N VAL 52.A O no hydrogen 3.058 N/A LYS 38.A N ASN 35.A O no hydrogen 3.295 N/A LYS 42.A N LYS 38.A O no hydrogen 3.058 N/A GLU 43.A N LYS 39.A O no hydrogen 2.910 N/A LEU 44.A N ALA 40.A O no hydrogen 3.158 N/A ARG 45.A N ALA 41.A O no hydrogen 3.057 N/A ARG 45.A NH2 VAL 51.A O no hydrogen 2.727 N/A LEU 46.A N LYS 42.A O no hydrogen 2.877 N/A GLN 47.A N GLU 43.A O no hydrogen 2.836 N/A GLN 47.A NE2 GLU 43.A OE2 no hydrogen 3.063 N/A GLY 48.A N ARG 45.A O no hydrogen 3.066 N/A ALA 49.A N LEU 44.A O no hydrogen 2.948 N/A GLU 50.A N VAL 29.A O no hydrogen 2.930 N/A VAL 52.A N VAL 31.A O no hydrogen 2.762 N/A GLN 53.A NE2 ALA 34.A O no hydrogen 2.852 N/A GLY 54.A N THR 33.A O no hydrogen 2.801 N/A ASP 55.A N ASP 55.A OD1 no hydrogen 2.301 N/A ASP 58.A N ASP 55.A O no hydrogen 3.211 N/A MET 62.A N ASP 58.A O no hydrogen 3.147 N/A GLU 63.A N GLN 59.A O no hydrogen 2.687 N/A LEU 64.A N VAL 60.A O no hydrogen 2.973 N/A ALA 65.A N ILE 61.A O no hydrogen 3.281 N/A LEU 66.A N MET 62.A O no hydrogen 2.975 N/A ASN 67.A N GLU 63.A O no hydrogen 2.818 N/A ALA 69.A N LEU 66.A O no hydrogen 3.232 N/A TYR 70.A N LEU 3.A O no hydrogen 2.800 N/A TYR 70.A OH HIS 103.A ND1 no hydrogen 3.372 N/A ALA 71.A N LEU 3.A O no hydrogen 3.205 N/A THR 72.A N TYR 104.A O no hydrogen 3.187 N/A THR 72.A OG1 VAL 5.A O no hydrogen 2.698 N/A PHE 73.A N VAL 5.A O no hydrogen 2.875 N/A ILE 74.A N VAL 106.A O no hydrogen 2.890 N/A THR 76.A OG1 GLU 86.A OE2 no hydrogen 2.904 N/A THR 76.A OG1 TYR 107.A OH no hydrogen 2.712 N/A GLN 83.A NE2 GLU 131.A OE2 no hydrogen 2.481 N/A GLN 85.A N SER 82.A OG no hydrogen 3.091 N/A GLU 86.A N SER 82.A O no hydrogen 3.005 N/A VAL 87.A N GLN 83.A O no hydrogen 2.962 N/A LYS 88.A N GLU 84.A O no hydrogen 3.150 N/A GLN 89.A N GLN 85.A O no hydrogen 2.836 N/A GLY 90.A N GLU 86.A O no hydrogen 2.926 N/A LYS 91.A N VAL 87.A O no hydrogen 2.713 N/A LEU 92.A N LYS 88.A O no hydrogen 2.868 N/A LEU 93.A N GLN 89.A O no hydrogen 3.254 N/A ALA 94.A N GLY 90.A O no hydrogen 2.971 N/A ASP 95.A N LYS 91.A O no hydrogen 2.892 N/A LEU 96.A N LEU 92.A O no hydrogen 3.048 N/A ALA 97.A N LEU 93.A O no hydrogen 2.819 N/A ARG 98.A N ALA 94.A O no hydrogen 3.021 N/A ARG 99.A N ASP 95.A O no hydrogen 2.722 N/A ARG 99.A NH2 GLU 63.A OE1 no hydrogen 2.762 N/A LEU 100.A N LEU 96.A O no hydrogen 2.964 N/A GLY 101.A N ARG 98.A O no hydrogen 3.018 N/A LEU 102.A N ALA 97.A O no hydrogen 3.055 N/A HIS 103.A N TYR 70.A O no hydrogen 2.898 N/A TYR 104.A OH THR 144.A OG1 no hydrogen 2.507 N/A VAL 105.A N PRO 142.A O no hydrogen 2.884 N/A VAL 106.A N THR 72.A O no hydrogen 2.787 N/A TYR 107.A N THR 144.A O no hydrogen 2.890 N/A TYR 107.A OH THR 76.A OG1 no hydrogen 2.712 N/A SER 108.A N ILE 74.A O no hydrogen 2.994 N/A GLU 111.A N GLU 111.A OE1 no hydrogen 2.760 N/A ASN 112.A ND2 GLU 134.A OE1 no hydrogen 3.424 N/A ASN 112.A ND2 GLU 134.A OE2 no hydrogen 2.835 N/A LYS 114.A N ASP 127.A OD1 no hydrogen 3.077 N/A LYS 115.A N ASN 112.A OD1 no hydrogen 3.132 N/A LYS 115.A NZ GLU 134.A OE2 no hydrogen 2.600 N/A LEU 116.A N ASN 112.A O no hydrogen 2.872 N/A THR 117.A N ILE 113.A O no hydrogen 2.926 N/A ALA 118.A N LYS 115.A O no hydrogen 3.112 N/A GLY 119.A N LYS 114.A O no hydrogen 2.660 N/A ARG 120.A N THR 117.A O no hydrogen 3.202 N/A ARG 120.A NE THR 117.A O no hydrogen 2.921 N/A ALA 123.A N ASP 127.A OD2 no hydrogen 2.824 N/A ALA 124.A N ASP 252.A OD1 no hydrogen 3.210 N/A HIS 125.A N HIS 125.A ND1 no hydrogen 3.005 N/A PHE 126.A N ALA 123.A O no hydrogen 2.814 N/A ASP 127.A N ALA 123.A O no hydrogen 2.739 N/A GLY 128.A N ALA 124.A O no hydrogen 3.284 N/A LYS 129.A NZ GLU 86.A OE2 no hydrogen 2.769 N/A GLY 130.A N PHE 126.A O no hydrogen 3.016 N/A GLU 131.A N ASP 127.A O no hydrogen 2.935 N/A VAL 132.A N GLY 128.A O no hydrogen 3.095 N/A GLU 133.A N LYS 129.A O no hydrogen 2.860 N/A GLU 134.A N GLY 130.A O no hydrogen 3.210 N/A TYR 135.A N GLU 131.A O no hydrogen 3.161 N/A TYR 135.A OH ASP 95.A OD1 no hydrogen 2.579 N/A TYR 135.A OH ASP 95.A OD2 no hydrogen 3.214 N/A PHE 136.A N VAL 132.A O no hydrogen 2.899 N/A ARG 137.A NH1 ASN 207.A OD1 no hydrogen 2.785 N/A ARG 137.A NH2 MET 143.A O no hydrogen 2.822 N/A ARG 137.A NH2 ASN 207.A OD1 no hydrogen 3.192 N/A ASP 138.A N GLU 134.A O no hydrogen 2.851 N/A ILE 139.A N TYR 135.A O no hydrogen 2.908 N/A GLY 140.A N ARG 137.A O no hydrogen 3.123 N/A VAL 141.A N PHE 136.A O no hydrogen 2.819 N/A THR 144.A N VAL 105.A O no hydrogen 2.892 N/A THR 144.A OG1 TYR 104.A OH no hydrogen 2.507 N/A THR 144.A OG1 TYR 203.A O no hydrogen 2.733 N/A SER 145.A N GLN 206.A O no hydrogen 2.965 N/A SER 145.A OG TYR 107.A O no hydrogen 3.398 N/A SER 145.A OG GLU 133.A OE2 no hydrogen 2.356 N/A VAL 146.A N TYR 107.A O no hydrogen 2.752 N/A ARG 147.A N ILE 208.A O no hydrogen 2.770 N/A ARG 147.A NE GLU 133.A OE2 no hydrogen 3.065 N/A ARG 147.A NH2 GLU 133.A OE1 no hydrogen 2.660 N/A CYS 150.A SG TYR 151.A O no hydrogen 3.620 N/A TYR 151.A OH GLN 13.A OE1 no hydrogen 2.532 N/A PHE 152.A N MET 184.A O no hydrogen 2.992 N/A GLU 153.A N GLU 153.A OE1 no hydrogen 2.692 N/A ASN 154.A N TYR 151.A O no hydrogen 3.091 N/A LEU 155.A N PHE 152.A O no hydrogen 2.884 N/A LEU 156.A N GLU 153.A O no hydrogen 3.047 N/A SER 157.A N ASN 154.A O no hydrogen 3.106 N/A PHE 159.A N ASN 154.A O no hydrogen 2.850 N/A LEU 160.A N SER 157.A O no hydrogen 3.335 N/A GLN 162.A N LEU 171.A O no hydrogen 3.072 N/A ALA 164.A N SER 169.A O no hydrogen 2.715 N/A GLY 167.A N ALA 164.A O no hydrogen 2.791 N/A LYS 168.A N ASP 166.A OD1 no hydrogen 2.975 N/A SER 169.A OG ASP 166.A OD1 no hydrogen 2.908 N/A SER 169.A OG ASP 166.A OD2 no hydrogen 3.044 N/A TYR 170.A N VAL 231.A O no hydrogen 2.613 N/A LEU 171.A N GLN 162.A O no hydrogen 2.800 N/A LEU 172.A N HIS 233.A O no hydrogen 2.807 N/A THR 176.A N LEU 174.A O no hydrogen 2.631 N/A THR 176.A OG1 GLY 177.A O no hydrogen 3.149 N/A VAL 179.A N THR 176.A O no hydrogen 3.425 N/A MET 181.A N HIS 215.A O no hydrogen 2.723 N/A GLY 183.A N CYS 213.A O no hydrogen 3.160 N/A SER 185.A OG GLU 153.A OE2 no hydrogen 2.524 N/A VAL 186.A N GLU 153.A OE1 no hydrogen 3.043 N/A ASP 188.A N SER 185.A O no hydrogen 3.067 N/A LEU 189.A N VAL 186.A O no hydrogen 3.067 N/A GLY 190.A N SER 16.A OG no hydrogen 2.870 N/A VAL 193.A N LEU 189.A O no hydrogen 3.262 N/A VAL 193.A N GLY 190.A O no hydrogen 3.213 N/A LEU 194.A N GLY 190.A O no hydrogen 3.153 N/A SER 195.A N PRO 191.A O no hydrogen 2.971 N/A SER 195.A OG PRO 191.A O no hydrogen 3.028 N/A SER 195.A OG LEU 274.A O no hydrogen 2.573 N/A LEU 196.A N VAL 192.A O no hydrogen 3.124 N/A LEU 197.A N VAL 193.A O no hydrogen 2.809 N/A LYS 198.A N LEU 194.A O no hydrogen 3.021 N/A LYS 198.A NZ ASP 24.A OD1 no hydrogen 3.052 N/A MET 199.A N SER 195.A O no hydrogen 3.163 N/A MET 199.A N LEU 196.A O no hydrogen 3.243 N/A GLU 201.A N GLU 201.A OE1 no hydrogen 2.638 N/A LYS 202.A N MET 199.A O no hydrogen 3.047 N/A TYR 203.A N PRO 200.A O no hydrogen 3.194 N/A VAL 204.A N PRO 200.A O no hydrogen 2.929 N/A GLY 205.A N MET 143.A O no hydrogen 3.058 N/A GLN 206.A N TYR 203.A O no hydrogen 3.237 N/A ILE 208.A N SER 145.A O no hydrogen 2.810 N/A LEU 210.A N ARG 147.A O no hydrogen 2.704 N/A SER 211.A N THR 271.A OG1 no hydrogen 2.918 N/A SER 211.A OG ASP 182.A OD1 no hydrogen 2.794 N/A SER 211.A OG GLY 183.A O no hydrogen 3.385 N/A THR 212.A N GLY 183.A O no hydrogen 2.929 N/A THR 212.A OG1 LEU 279.A O no hydrogen 2.795 N/A CYS 213.A N SER 211.A OG no hydrogen 3.247 N/A HIS 215.A N MET 181.A O no hydrogen 2.979 N/A HIS 215.A ND1 GLU 219.A OE1 no hydrogen 2.784 N/A ALA 217.A N THR 176.A OG1 no hydrogen 2.718 N/A GLU 219.A N THR 216.A OG1 no hydrogen 3.337 N/A TYR 220.A N THR 216.A O no hydrogen 2.915 N/A ALA 221.A N ALA 217.A O no hydrogen 2.907 N/A ALA 222.A N GLU 218.A O no hydrogen 2.960 N/A LEU 223.A N GLU 219.A O no hydrogen 2.890 N/A LEU 224.A N TYR 220.A O no hydrogen 2.902 N/A THR 225.A N ALA 221.A O no hydrogen 2.966 N/A THR 225.A OG1 ALA 221.A O no hydrogen 2.966 N/A LYS 226.A N ALA 222.A O no hydrogen 3.280 N/A HIS 227.A N LEU 223.A O no hydrogen 3.267 N/A HIS 227.A NE2 ASP 282.A OD1 no hydrogen 2.776 N/A THR 228.A N LEU 224.A O no hydrogen 2.927 N/A THR 228.A OG1 LEU 224.A O no hydrogen 2.510 N/A ARG 229.A N THR 225.A O no hydrogen 3.096 N/A LYS 230.A NZ TYR 170.A OH no hydrogen 3.102 N/A VAL 232.A N THR 225.A OG1 no hydrogen 2.914 N/A HIS 233.A N TYR 170.A O no hydrogen 2.652 N/A ALA 235.A N LEU 172.A O no hydrogen 2.903 N/A LYS 236.A N ASP 234.A OD1 no hydrogen 2.887 N/A THR 238.A N ASP 241.A OD2 no hydrogen 2.589 N/A THR 238.A OG1 ASP 241.A OD2 no hydrogen 2.968 N/A ASP 241.A N THR 238.A O no hydrogen 3.049 N/A ASP 241.A N THR 238.A OG1 no hydrogen 3.276 N/A LYS 244.A N GLU 240.A O no hydrogen 2.847 N/A LEU 245.A N ASP 241.A O no hydrogen 3.022 N/A GLY 246.A N TYR 242.A O no hydrogen 2.811 N/A ALA 250.A N PHE 247.A O no hydrogen 3.006 N/A LEU 253.A N GLY 249.A O no hydrogen 2.940 N/A ALA 254.A N ALA 250.A O no hydrogen 2.821 N/A ASN 255.A N ARG 251.A O no hydrogen 3.136 N/A MET 256.A N ASP 252.A O no hydrogen 3.009 N/A PHE 257.A N LEU 253.A O no hydrogen 3.051 N/A ARG 258.A N ALA 254.A O no hydrogen 2.929 N/A ARG 258.A NH1 GLU 243.A OE1 no hydrogen 3.547 N/A ARG 258.A NH1 ASN 255.A OD1 no hydrogen 3.278 N/A ARG 258.A NH2 GLU 243.A OE1 no hydrogen 2.779 N/A PHE 259.A N ASN 255.A O no hydrogen 2.775 N/A TYR 260.A N MET 256.A O no hydrogen 2.945 N/A ALA 261.A N PHE 257.A O no hydrogen 3.052 N/A LEU 262.A N PHE 259.A O no hydrogen 3.076 N/A ARG 263.A N TYR 260.A O no hydrogen 2.830 N/A ARG 266.A NH1 GLU 111.A OE2 no hydrogen 2.677 N/A ARG 266.A NH1 ASP 265.A O no hydrogen 3.006 N/A ARG 266.A NH2 GLU 111.A OE1 no hydrogen 2.720 N/A ASP 267.A N GLY 209.A O no hydrogen 2.755 N/A LEU 270.A N ASP 267.A OD1 no hydrogen 3.130 N/A THR 271.A N ASP 267.A O no hydrogen 2.964 N/A THR 271.A OG1 SER 211.A O no hydrogen 3.090 N/A THR 271.A OG1 ASP 267.A O no hydrogen 2.663 N/A LEU 272.A N ILE 268.A O no hydrogen 2.846 N/A ARG 273.A N GLU 269.A O no hydrogen 3.101 N/A ARG 273.A NE TYR 203.A OH no hydrogen 3.315 N/A ARG 273.A NH2 TYR 203.A OH no hydrogen 3.466 N/A LEU 274.A N LEU 270.A O no hydrogen 2.907 N/A ASN 275.A N THR 271.A O no hydrogen 2.705 N/A ASN 275.A ND2 ASP 188.A O no hydrogen 2.741 N/A LYS 277.A N ASN 275.A OD1 no hydrogen 3.096 N/A ALA 278.A N ASN 275.A O no hydrogen 3.060 N/A LEU 279.A N ASP 188.A OD2 no hydrogen 2.924 N/A THR 280.A N GLN 283.A OE1 no hydrogen 2.972 N/A GLN 283.A N THR 280.A OG1 no hydrogen 3.154 N/A TRP 284.A N THR 280.A O no hydrogen 2.906 N/A LEU 285.A N LEU 281.A O no hydrogen 2.834 N/A GLU 286.A N ASP 282.A O no hydrogen 3.221 N/A GLN 287.A N GLN 283.A O no hydrogen 3.158 N/A HIS 288.A N TRP 284.A O no hydrogen 2.848 N/A ASP 291.A N HIS 288.A O no hydrogen 3.392 N/A