Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2an3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 5.A N VAL 1.A O no hydrogen 2.957 N/A TYR 5.A OH ALA 164.A O no hydrogen 2.581 N/A TYR 5.A OH TYR 200.A OH no hydrogen 2.773 N/A GLN 6.A N SER 3.A O no hydrogen 3.149 N/A GLN 6.A NE2 ALA 2.A O no hydrogen 3.424 N/A ARG 7.A N ALA 4.A O no hydrogen 3.131 N/A PHE 8.A N TYR 5.A O no hydrogen 3.010 N/A GLU 9.A N ALA 202.A O no hydrogen 2.972 N/A ARG 11.A NH1 GLU 87.A OE2 no hydrogen 2.724 N/A TYR 13.A N GLU 9.A O no hydrogen 2.926 N/A LEU 14.A N PRO 10.A O no hydrogen 2.853 N/A ARG 15.A N ARG 11.A O no hydrogen 3.116 N/A ASN 16.A N ALA 12.A O no hydrogen 2.901 N/A ASN 16.A ND2 LEU 201.A O no hydrogen 3.216 N/A ASN 17.A N TYR 13.A O no hydrogen 3.026 N/A ASN 17.A ND2 TYR 13.A O no hydrogen 3.366 N/A TYR 18.A N LEU 14.A O no hydrogen 2.667 N/A TYR 18.A OH TYR 63.A OH no hydrogen 3.292 N/A ARG 22.A NE LEU 240.A O no hydrogen 2.996 N/A ARG 22.A NH1 ASP 245.A OD2 no hydrogen 2.825 N/A ARG 22.A NH2 LEU 240.A O no hydrogen 2.840 N/A ARG 22.A NH2 ASP 245.A OD1 no hydrogen 3.300 N/A ARG 22.A NH2 ASP 245.A OD2 no hydrogen 3.306 N/A GLY 23.A N ALA 19.A O no hydrogen 2.776 N/A ASP 24.A N PRO 21.A O no hydrogen 3.000 N/A CYS 26.A N ASP 24.A OD2 no hydrogen 3.150 N/A ASN 29.A N ASN 27.A OD1 no hydrogen 2.812 N/A GLY 30.A N ASN 27.A O no hydrogen 3.001 N/A TRP 34.A N GLY 30.A O no hydrogen 3.278 N/A LYS 35.A N VAL 31.A O no hydrogen 2.969 N/A LEU 36.A N GLY 32.A O no hydrogen 3.006 N/A ARG 37.A N PRO 33.A O no hydrogen 2.869 N/A ARG 37.A NH2 PRO 28.A O no hydrogen 2.733 N/A CYS 38.A N TRP 34.A O no hydrogen 2.948 N/A CYS 38.A SG TRP 34.A O no hydrogen 3.485 N/A LEU 39.A N LYS 35.A O no hydrogen 3.047 N/A ALA 40.A N LEU 36.A O no hydrogen 2.842 N/A GLN 41.A N ARG 37.A O no hydrogen 2.941 N/A THR 42.A N CYS 38.A O no hydrogen 3.179 N/A THR 42.A OG1 CYS 38.A O no hydrogen 2.871 N/A PHE 43.A N LEU 39.A O no hydrogen 3.235 N/A ALA 44.A N ALA 40.A O no hydrogen 2.927 N/A THR 45.A N THR 42.A O no hydrogen 3.138 N/A THR 45.A OG1 THR 42.A O no hydrogen 2.778 N/A GLY 46.A N PHE 43.A O no hydrogen 2.950 N/A GLU 47.A N THR 45.A OG1 no hydrogen 3.037 N/A ARG 51.A N ASP 154.A OD1 no hydrogen 2.447 N/A THR 52.A N ASP 154.A OD1 no hydrogen 3.339 N/A LEU 53.A N ASP 74.A O no hydrogen 2.791 N/A ILE 54.A N ALA 155.A O no hydrogen 2.991 N/A ASP 55.A N THR 76.A O no hydrogen 2.762 N/A ILE 56.A N VAL 157.A O no hydrogen 2.667 N/A GLY 57.A N THR 78.A OG1 no hydrogen 3.144 N/A SER 58.A N THR 78.A O no hydrogen 2.721 N/A SER 58.A OG ASP 55.A O no hydrogen 3.304 N/A SER 58.A OG ASP 55.A OD2 no hydrogen 2.508 N/A SER 58.A OG THR 78.A O no hydrogen 3.190 N/A GLY 59.A N ASP 79.A OD1 no hydrogen 2.960 N/A THR 61.A N SER 58.A O no hydrogen 3.275 N/A THR 61.A OG1 SER 58.A O no hydrogen 3.300 N/A THR 61.A OG1 GLN 64.A OE1 no hydrogen 2.632 N/A TYR 63.A OH TYR 18.A OH no hydrogen 3.292 N/A GLN 64.A N GLN 64.A OE1 no hydrogen 2.834 N/A GLN 64.A NE2 ASP 55.A OD2 no hydrogen 2.698 N/A GLN 64.A NE2 SER 58.A O no hydrogen 3.525 N/A GLN 64.A NE2 THR 61.A O no hydrogen 3.276 N/A LEU 65.A N VAL 62.A O no hydrogen 2.862 N/A LEU 66.A N TYR 63.A O no hydrogen 3.351 N/A SER 67.A OG GLU 112.A OE2 no hydrogen 2.613 N/A CYS 69.A N LEU 65.A O no hydrogen 2.939 N/A CYS 69.A SG LEU 66.A O no hydrogen 3.347 N/A CYS 69.A SG GLN 124.A OE1 no hydrogen 3.911 N/A SER 70.A OG SER 67.A O no hydrogen 3.430 N/A SER 70.A OG HIS 71.A ND1 no hydrogen 3.173 N/A HIS 71.A N ALA 68.A O no hydrogen 2.759 N/A ASP 74.A N ARG 51.A O no hydrogen 2.853 N/A ILE 75.A N ARG 128.A O no hydrogen 2.758 N/A THR 76.A N LEU 53.A O no hydrogen 2.705 N/A MET 77.A N ARG 131.A O no hydrogen 2.896 N/A THR 78.A N SER 58.A OG no hydrogen 3.134 N/A THR 78.A OG1 ASP 55.A O no hydrogen 2.756 N/A ASP 79.A N LEU 133.A O no hydrogen 2.969 N/A LEU 81.A N ASP 79.A OD2 no hydrogen 3.231 N/A ASN 84.A ND2 ASP 79.A OD2 no hydrogen 2.756 N/A ARG 85.A N LEU 81.A O no hydrogen 3.259 N/A ARG 85.A NH1 ASP 79.A O no hydrogen 2.704 N/A ARG 85.A NH2 GLU 82.A OE2 no hydrogen 2.724 N/A GLN 86.A N GLU 82.A O no hydrogen 2.877 N/A GLN 86.A NE2 GLU 82.A OE1 no hydrogen 3.148 N/A GLU 87.A N VAL 83.A O no hydrogen 3.099 N/A LEU 88.A N ASN 84.A O no hydrogen 2.836 N/A GLY 89.A N ARG 85.A O no hydrogen 3.032 N/A ARG 90.A N GLN 86.A O no hydrogen 3.053 N/A ARG 90.A NH2 GLU 87.A OE1 no hydrogen 2.842 N/A TRP 91.A N GLU 87.A O no hydrogen 3.410 N/A TRP 91.A N LEU 88.A O no hydrogen 2.884 N/A LEU 92.A N LEU 88.A O no hydrogen 2.880 N/A GLN 93.A N GLY 89.A O no hydrogen 2.793 N/A GLU 94.A N TRP 91.A O no hydrogen 3.207 N/A GLU 95.A N ARG 90.A O no hydrogen 2.809 N/A ALA 98.A N GLU 95.A O no hydrogen 3.336 N/A SER 102.A N ASN 100.A OD1 no hydrogen 3.023 N/A SER 102.A OG ASN 100.A OD1 no hydrogen 2.778 N/A SER 105.A N TRP 101.A O no hydrogen 2.975 N/A SER 105.A OG TRP 101.A O no hydrogen 3.177 N/A SER 105.A OG GLU 122.A OE2 no hydrogen 2.618 N/A GLN 106.A N SER 102.A O no hydrogen 2.856 N/A HIS 107.A N MET 103.A O no hydrogen 3.016 N/A ALA 108.A N TYR 104.A O no hydrogen 2.903 N/A CYS 109.A N SER 105.A O no hydrogen 3.074 N/A CYS 109.A SG SER 105.A O no hydrogen 3.373 N/A CYS 109.A SG GLU 116.A O no hydrogen 3.468 N/A LEU 110.A N GLN 106.A O no hydrogen 2.931 N/A ILE 111.A N HIS 107.A O no hydrogen 2.721 N/A GLU 112.A N ALA 108.A O no hydrogen 2.786 N/A GLY 113.A N CYS 109.A O no hydrogen 3.166 N/A GLY 113.A N LEU 110.A O no hydrogen 3.253 N/A CYS 117.A SG GLN 119.A OE1 no hydrogen 3.707 N/A GLN 119.A N GLN 119.A OE1 no hydrogen 2.747 N/A LYS 121.A N CYS 117.A O no hydrogen 3.372 N/A LYS 121.A NZ LEU 66.A O no hydrogen 3.026 N/A LYS 121.A NZ GLU 112.A OE1 no hydrogen 2.512 N/A LYS 121.A NZ GLU 112.A OE2 no hydrogen 2.720 N/A LYS 121.A NZ GLU 116.A OE1 no hydrogen 3.439 N/A GLU 122.A N TRP 118.A O no hydrogen 3.007 N/A ARG 123.A N GLN 119.A O no hydrogen 2.891 N/A ARG 123.A NH2 ASP 120.A OD1 no hydrogen 2.905 N/A GLN 124.A N ASP 120.A O no hydrogen 2.908 N/A LEU 125.A N LYS 121.A O no hydrogen 3.072 N/A ARG 126.A N GLU 122.A O no hydrogen 2.922 N/A ARG 126.A NE TRP 91.A O no hydrogen 2.631 N/A ARG 126.A NH2 TRP 91.A O no hydrogen 3.110 N/A ALA 127.A N ARG 123.A O no hydrogen 2.973 N/A ARG 128.A N GLN 124.A O no hydrogen 2.930 N/A ARG 128.A NH1 CYS 69.A O no hydrogen 2.963 N/A VAL 129.A N LEU 125.A O no hydrogen 3.193 N/A LYS 130.A N ILE 75.A O no hydrogen 3.012 N/A LYS 130.A NZ ALA 127.A O no hydrogen 2.988 N/A ARG 131.A NH1 ASP 74.A OD1 no hydrogen 3.454 N/A ARG 131.A NH1 ASP 74.A OD2 no hydrogen 3.017 N/A ARG 131.A NH1 THR 76.A OG1 no hydrogen 2.928 N/A ARG 131.A NH2 ASP 74.A OD1 no hydrogen 3.062 N/A LEU 133.A N MET 77.A O no hydrogen 2.745 N/A ILE 135.A N ASP 79.A O no hydrogen 3.148 N/A ASP 136.A N PRO 142.A O no hydrogen 3.082 N/A HIS 138.A N ASP 136.A OD1 no hydrogen 2.735 N/A HIS 138.A NE2 VAL 165.A O no hydrogen 2.840 N/A GLN 139.A N ASP 136.A O no hydrogen 3.201 N/A GLY 144.A N GLN 141.A O no hydrogen 2.847 N/A ALA 153.A N LEU 182.A O no hydrogen 2.790 N/A ASP 154.A N THR 52.A O no hydrogen 3.105 N/A ASP 154.A N THR 52.A OG1 no hydrogen 3.394 N/A ALA 155.A N THR 52.A O no hydrogen 3.316 N/A LEU 156.A N HIS 188.A O no hydrogen 2.846 N/A VAL 157.A N ILE 54.A O no hydrogen 2.920 N/A SER 158.A N LEU 190.A O no hydrogen 3.081 N/A SER 158.A OG ILE 56.A O no hydrogen 2.915 N/A PHE 160.A N ILE 192.A O no hydrogen 2.833 N/A GLU 163.A N GLU 163.A OE1 no hydrogen 2.648 N/A VAL 165.A N LEU 162.A O no hydrogen 3.016 N/A SER 166.A OG LEU 162.A O no hydrogen 2.975 N/A SER 171.A N ASP 168.A OD2 no hydrogen 3.173 N/A PHE 172.A N ASP 168.A O no hydrogen 3.069 N/A GLN 173.A N LEU 169.A O no hydrogen 2.823 N/A GLN 173.A NE2 GLN 173.A O no hydrogen 3.047 N/A GLN 173.A NE2 ALA 220.A O no hydrogen 3.261 N/A ARG 174.A N ALA 170.A O no hydrogen 3.089 N/A ALA 175.A N SER 171.A O no hydrogen 2.996 N/A LEU 176.A N PHE 172.A O no hydrogen 3.075 N/A ASP 177.A N GLN 173.A O no hydrogen 2.960 N/A HIS 178.A N ARG 174.A O no hydrogen 2.730 N/A HIS 178.A ND1 VAL 137.A O no hydrogen 2.597 N/A ILE 179.A N ALA 175.A O no hydrogen 3.097 N/A THR 180.A N LEU 176.A O no hydrogen 2.955 N/A THR 180.A OG1 LEU 176.A O no hydrogen 2.610 N/A THR 180.A OG1 TYR 226.A OH no hydrogen 2.876 N/A THR 181.A N ASP 177.A O no hydrogen 3.261 N/A THR 181.A OG1 HIS 178.A O no hydrogen 2.789 N/A LEU 182.A N ILE 179.A O no hydrogen 2.878 N/A LEU 183.A N THR 180.A O no hydrogen 2.934 N/A ARG 184.A N ALA 153.A O no hydrogen 2.939 N/A ARG 184.A NE PRO 185.A O no hydrogen 2.543 N/A ARG 184.A NH2 PRO 185.A O no hydrogen 2.995 N/A GLY 186.A N LYS 257.A O no hydrogen 2.771 N/A GLY 187.A N ARG 184.A O no hydrogen 2.678 N/A LEU 189.A N ALA 255.A O no hydrogen 2.702 N/A LEU 190.A N LEU 156.A O no hydrogen 2.961 N/A LEU 191.A N ALA 253.A O no hydrogen 2.816 N/A ILE 192.A N SER 158.A O no hydrogen 2.928 N/A GLY 193.A N PHE 251.A O no hydrogen 3.049 N/A ALA 194.A N GLU 163.A OE2 no hydrogen 2.772 N/A LEU 195.A N GLY 249.A O no hydrogen 2.780 N/A GLU 196.A N VAL 212.A O no hydrogen 2.807 N/A SER 198.A N ASP 246.A OD2 no hydrogen 2.840 N/A SER 198.A OG ASP 246.A OD1 no hydrogen 2.802 N/A TRP 199.A N ASP 246.A OD2 no hydrogen 3.383 N/A TYR 200.A N LEU 207.A O no hydrogen 3.148 N/A TYR 200.A OH TYR 5.A OH no hydrogen 2.773 N/A LEU 201.A N VAL 244.A O no hydrogen 2.725 N/A ALA 202.A N ALA 205.A O no hydrogen 3.029 N/A GLU 204.A N GLU 9.A OE2 no hydrogen 2.830 N/A LEU 207.A N TYR 200.A O no hydrogen 3.030 N/A VAL 209.A N SER 198.A O no hydrogen 2.724 N/A VAL 210.A N GLU 163.A O no hydrogen 3.132 N/A SER 213.A N GLU 216.A OE2 no hydrogen 2.871 N/A GLU 216.A N SER 213.A OG no hydrogen 3.130 N/A VAL 217.A N SER 213.A O no hydrogen 3.016 N/A ARG 218.A N GLU 214.A O no hydrogen 2.920 N/A GLU 219.A N GLU 215.A O no hydrogen 2.841 N/A ALA 220.A N GLU 216.A O no hydrogen 3.108 N/A LEU 221.A N VAL 217.A O no hydrogen 2.996 N/A VAL 222.A N ARG 218.A O no hydrogen 2.988 N/A ARG 223.A N GLU 219.A O no hydrogen 2.845 N/A SER 224.A N ALA 220.A O no hydrogen 3.085 N/A SER 224.A N LEU 221.A O no hydrogen 3.012 N/A SER 224.A OG ASP 177.A OD1 no hydrogen 2.773 N/A SER 224.A OG ALA 220.A O no hydrogen 3.329 N/A GLY 225.A N VAL 222.A O no hydrogen 2.630 N/A TYR 226.A N LEU 221.A O no hydrogen 3.099 N/A TYR 226.A OH THR 180.A OG1 no hydrogen 2.876 N/A LYS 227.A N GLN 256.A O no hydrogen 2.700 N/A ARG 229.A N TRP 254.A O no hydrogen 2.799 N/A ARG 229.A NH1 GLN 256.A OE1 no hydrogen 3.422 N/A ARG 229.A NH2 GLU 47.A OE1 no hydrogen 2.648 N/A ASP 230.A N TRP 254.A O no hydrogen 3.089 N/A ARG 232.A N PHE 252.A O no hydrogen 2.728 N/A ARG 232.A NE.A ASP 230.A OD1 no hydrogen 3.112 N/A ARG 232.A NE.B ASP 230.A OD2 no hydrogen 2.932 N/A ARG 232.A NH1.B GLN 41.A OE1 no hydrogen 2.599 N/A ARG 232.A NH2.A ASP 230.A OD1 no hydrogen 3.141 N/A ARG 232.A NH2.B GLN 41.A OE1 no hydrogen 2.690 N/A THR 233.A OG1 GLU 214.A OE2 no hydrogen 3.108 N/A TYR 234.A N VAL 250.A O no hydrogen 2.769 N/A TYR 234.A OH ASN 29.A O no hydrogen 2.703 N/A MET 236.A N LYS 248.A O no hydrogen 2.956 N/A LEU 240.A N PRO 237.A O no hydrogen 3.005 N/A GLN 241.A N ALA 238.A O no hydrogen 2.976 N/A GLN 241.A NE2 MET 236.A O no hydrogen 3.080 N/A VAL 247.A N ASP 245.A OD1 no hydrogen 3.067 N/A LYS 248.A N LEU 195.A O no hydrogen 3.242 N/A LYS 248.A NZ ASP 246.A O no hydrogen 3.045 N/A GLY 249.A N LEU 195.A O no hydrogen 3.251 N/A VAL 250.A N TYR 234.A O no hydrogen 2.708 N/A PHE 251.A N GLY 193.A O no hydrogen 2.894 N/A PHE 252.A N ARG 232.A O no hydrogen 2.836 N/A ALA 253.A N LEU 191.A O no hydrogen 2.700 N/A TRP 254.A N ASP 230.A O no hydrogen 2.699 N/A TRP 254.A NE1 HIS 188.A ND1 no hydrogen 3.094 N/A ALA 255.A N LEU 189.A O no hydrogen 2.877 N/A GLN 256.A N LYS 227.A O no hydrogen 2.900 N/A GLN 256.A NE2 GLY 186.A O no hydrogen 3.308 N/A LYS 257.A N GLY 187.A O no hydrogen 2.871 N/A LYS 257.A NZ THR 180.A O no hydrogen 2.848 N/A LYS 257.A NZ LEU 183.A O no hydrogen 2.732 N/A VAL 258.A N GLY 225.A O no hydrogen 3.129 N/A