Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2a40_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 1.A N LEU 259.A O no hydrogen 2.772 N/A LYS 2.A N ASP 33.A OD2 no hydrogen 2.777 N/A LYS 2.A NZ GLU 256.A OE2 no hydrogen 3.348 N/A ILE 3.A N VAL 257.A O no hydrogen 2.887 N/A ALA 4.A N ILE 34.A O no hydrogen 2.993 N/A ALA 5.A N VAL 255.A O no hydrogen 2.889 N/A PHE 6.A N LEU 36.A O no hydrogen 2.750 N/A ASN 7.A ND2 GLU 39.A OE2 no hydrogen 3.134 N/A ASN 7.A ND2 ASP 168.A OD2 no hydrogen 2.942 N/A ILE 8.A N GLN 38.A O no hydrogen 3.247 N/A ARG 9.A N SER 250.A OG no hydrogen 3.090 N/A ARG 9.A NH2 LEU 247.A O no hydrogen 3.008 N/A THR 10.A N GLU 39.A OE1 no hydrogen 2.985 N/A PHE 11.A N ILE 8.A O no hydrogen 3.034 N/A PHE 11.A N GLU 39.A O no hydrogen 3.067 N/A LYS 15.A NZ ARG 9.A O no hydrogen 2.686 N/A LYS 15.A NZ ALA 248.A O no hydrogen 3.180 N/A LYS 15.A NZ ILE 249.A O no hydrogen 2.829 N/A MET 16.A N GLY 12.A O no hydrogen 2.952 N/A SER 17.A N GLU 13.A O no hydrogen 2.933 N/A SER 17.A OG.A GLU 13.A O no hydrogen 2.753 N/A SER 17.A OG.B GLU 13.A O no hydrogen 3.235 N/A SER 17.A OG.B THR 14.A O no hydrogen 2.692 N/A ASN 18.A N LYS 15.A O no hydrogen 3.107 N/A LEU 21.A N ASN 18.A OD1 no hydrogen 3.102 N/A ALA 22.A N ASN 18.A O no hydrogen 2.824 N/A SER 23.A N ALA 19.A O no hydrogen 2.953 N/A SER 23.A OG ALA 19.A O no hydrogen 3.371 N/A SER 23.A OG THR 20.A O no hydrogen 2.827 N/A TYR 24.A N THR 20.A O no hydrogen 3.251 N/A ILE 25.A N LEU 21.A O no hydrogen 2.981 N/A VAL 26.A N ALA 22.A O no hydrogen 2.832 N/A ARG 27.A N SER 23.A O no hydrogen 2.960 N/A ILE 28.A N TYR 24.A O no hydrogen 2.938 N/A VAL 29.A N ILE 25.A O no hydrogen 2.948 N/A ARG 30.A N VAL 26.A O no hydrogen 2.924 N/A ARG 30.A NH1.B LEU 55.A O no hydrogen 3.284 N/A ARG 31.A N ILE 28.A O no hydrogen 3.168 N/A ARG 31.A NE TYR 32.A OH no hydrogen 3.130 N/A ARG 31.A NH2 GLU 256.A OE1 no hydrogen 2.898 N/A ARG 31.A NH2 GLU 256.A OE2 no hydrogen 3.505 N/A TYR 32.A N VAL 29.A O no hydrogen 3.011 N/A TYR 32.A OH GLU 256.A OE1 no hydrogen 2.597 N/A ASP 33.A N LYS 2.A O no hydrogen 2.853 N/A ILE 34.A N LYS 2.A O no hydrogen 3.383 N/A VAL 35.A N LEU 83.A O no hydrogen 2.958 N/A LEU 36.A N ALA 4.A O no hydrogen 2.891 N/A ILE 37.A N LEU 81.A O no hydrogen 2.673 N/A GLN 38.A N PHE 6.A O no hydrogen 2.974 N/A ARG 41.A N PHE 11.A O no hydrogen 2.798 N/A ARG 41.A NE LYS 77.A O no hydrogen 2.898 N/A ARG 41.A NH2 LYS 77.A O no hydrogen 3.401 N/A SER 43.A OG HIS 44.A ND1 no hydrogen 2.677 N/A HIS 44.A ND1 SER 43.A OG no hydrogen 2.677 N/A LEU 45.A N ASP 42.A O no hydrogen 3.299 N/A ALA 47.A N ASP 42.A OD1 no hydrogen 2.861 N/A VAL 48.A N ASP 42.A OD2 no hydrogen 2.801 N/A GLY 49.A N LEU 45.A O no hydrogen 2.930 N/A LYS 50.A N VAL 46.A O no hydrogen 2.930 N/A LEU 51.A N ALA 47.A O no hydrogen 2.955 N/A LEU 52.A N VAL 48.A O no hydrogen 2.946 N/A ASP 53.A N GLY 49.A O no hydrogen 2.833 N/A TYR 54.A N LYS 50.A O no hydrogen 3.094 N/A LEU 55.A N LEU 51.A O no hydrogen 2.945 N/A ASN 56.A N LEU 52.A O no hydrogen 2.882 N/A ASN 56.A ND2 TYR 63.A O no hydrogen 3.032 N/A GLN 57.A NE2 TYR 54.A O no hydrogen 3.044 N/A ASN 61.A N ASP 59.A OD1 no hydrogen 2.784 N/A THR 62.A N ASP 59.A O no hydrogen 3.155 N/A THR 62.A OG1 ASP 59.A O no hydrogen 2.799 N/A TYR 63.A N ASN 56.A OD1 no hydrogen 2.882 N/A TYR 63.A OH TYR 32.A O no hydrogen 2.654 N/A HIS 64.A N PHE 84.A O no hydrogen 2.853 N/A HIS 64.A NE2 ASN 61.A OD1 no hydrogen 2.799 N/A VAL 66.A N PHE 82.A O no hydrogen 2.996 N/A SER 68.A N TYR 80.A O no hydrogen 3.006 N/A SER 68.A OG GLU 69.A O no hydrogen 2.757 N/A LEU 71.A N GLU 78.A O no hydrogen 2.828 N/A ARG 73.A NH1 ASN 106.A O no hydrogen 2.709 N/A ARG 73.A NH2 ASN 106.A O no hydrogen 3.053 N/A SER 75.A N ASN 74.A OD1.B no hydrogen 2.421 N/A SER 75.A OG ASN 74.A OD1.B no hydrogen 3.268 N/A TYR 76.A N ASN 74.A OD1.A no hydrogen 3.235 N/A TYR 76.A OH GLU 78.A OE2 no hydrogen 2.360 N/A LYS 77.A NZ ASN 74.A O no hydrogen 2.917 N/A GLU 78.A N LEU 71.A O no hydrogen 2.902 N/A ARG 79.A N VAL 40.A O no hydrogen 2.788 N/A ARG 79.A NE ASP 42.A O no hydrogen 3.186 N/A ARG 79.A NH1 SER 68.A O no hydrogen 3.048 N/A ARG 79.A NH2 ASP 42.A O no hydrogen 3.165 N/A TYR 80.A N SER 68.A OG no hydrogen 2.964 N/A TYR 80.A OH ARG 111.A O no hydrogen 2.783 N/A LEU 81.A N ILE 37.A O no hydrogen 3.030 N/A PHE 82.A N VAL 66.A O no hydrogen 2.712 N/A LEU 83.A N VAL 35.A O no hydrogen 2.947 N/A PHE 84.A N HIS 64.A O no hydrogen 2.971 N/A ARG 85.A N ASP 33.A O no hydrogen 2.879 N/A ARG 85.A NE TYR 32.A O no hydrogen 3.327 N/A ARG 85.A NH2 ARG 30.A O no hydrogen 3.027 N/A LYS 88.A N ARG 85.A O no hydrogen 2.888 N/A VAL 89.A N ARG 85.A O no hydrogen 3.057 N/A SER 90.A N SER 119.A O no hydrogen 3.054 N/A LEU 92.A N LYS 117.A O no hydrogen 2.740 N/A THR 94.A N ASP 93.A OD1 no hydrogen 2.850 N/A TYR 95.A N VAL 115.A O no hydrogen 2.983 N/A TYR 95.A OH ASP 153.A OD2 no hydrogen 3.049 N/A TYR 97.A N PRO 113.A O no hydrogen 2.949 N/A GLY 100.A N ASP 98.A OD2 no hydrogen 3.052 N/A CYS 101.A N ASP 98.A O no hydrogen 3.381 N/A CYS 104.A N CYS 101.A O no hydrogen 3.211 N/A ASN 106.A N SER 103.A O no hydrogen 3.062 N/A ASN 106.A ND2 PHE 109.A O no hydrogen 2.891 N/A ASN 106.A ND2 SER 110.A O no hydrogen 2.803 N/A ASP 107.A N CYS 104.A O no hydrogen 2.948 N/A SER 108.A N GLY 105.A O no hydrogen 3.174 N/A PHE 109.A N GLY 105.A O no hydrogen 3.043 N/A SER 110.A N GLU 143.A OE2 no hydrogen 2.978 N/A ARG 111.A NE HIS 134.A O no hydrogen 2.943 N/A ARG 111.A NH2 HIS 134.A O no hydrogen 3.289 N/A ARG 111.A NH2 SER 135.A O no hydrogen 3.053 N/A GLU 112.A N GLU 112.A OE2 no hydrogen 2.668 N/A VAL 115.A N TYR 95.A O no hydrogen 2.839 N/A VAL 116.A N ILE 130.A O no hydrogen 3.011 N/A LYS 117.A N ASP 93.A O no hydrogen 2.845 N/A PHE 118.A N PHE 128.A O no hydrogen 2.873 N/A SER 119.A N SER 90.A O no hydrogen 2.840 N/A SER 120.A N LYS 126.A O no hydrogen 2.730 N/A SER 120.A OG THR 123.A OG1 no hydrogen 2.681 N/A THR 123.A OG1 SER 120.A O no hydrogen 3.468 N/A THR 123.A OG1 SER 120.A OG no hydrogen 2.681 N/A THR 123.A OG1 VAL 125.A O no hydrogen 2.811 N/A LYS 124.A N THR 260.A OXT no hydrogen 2.841 N/A LYS 124.A NZ SER 223.A O no hydrogen 3.552 N/A VAL 125.A N SER 224.A OG no hydrogen 3.010 N/A LYS 126.A NZ HIS 121.A O no hydrogen 3.004 N/A LYS 126.A NZ THR 123.A O no hydrogen 3.080 N/A PHE 128.A N PHE 118.A O no hydrogen 3.059 N/A ALA 129.A N ASP 162.A O no hydrogen 3.005 N/A ILE 130.A N VAL 116.A O no hydrogen 2.939 N/A VAL 131.A N MET 164.A O no hydrogen 2.834 N/A ALA 132.A N ALA 114.A O no hydrogen 2.987 N/A LEU 133.A N MET 166.A O no hydrogen 3.096 N/A HIS 134.A N TYR 80.A OH no hydrogen 2.894 N/A HIS 134.A ND1 GLU 78.A OE1 no hydrogen 2.711 N/A SER 135.A N ASP 168.A O no hydrogen 2.838 N/A SER 135.A OG PHE 169.A O no hydrogen 2.747 N/A ALA 136.A N GLU 143.A OE1 no hydrogen 3.052 N/A ASP 139.A N ALA 136.A O no hydrogen 2.870 N/A ALA 140.A N PRO 137.A O no hydrogen 3.235 N/A GLU 143.A N ASP 139.A O no hydrogen 2.942 N/A ILE 144.A N ALA 140.A O no hydrogen 2.857 N/A ASN 145.A N VAL 141.A O no hydrogen 2.935 N/A SER 146.A N ALA 142.A O no hydrogen 2.881 N/A SER 146.A OG ALA 142.A O no hydrogen 3.151 N/A LEU 147.A N GLU 143.A O no hydrogen 3.096 N/A TYR 148.A N ASN 145.A O no hydrogen 3.045 N/A VAL 150.A N SER 146.A O no hydrogen 3.074 N/A TYR 151.A N LEU 147.A O no hydrogen 2.871 N/A TYR 151.A OH ASN 161.A O no hydrogen 3.064 N/A LEU 152.A N TYR 148.A O no hydrogen 3.030 N/A ASP 153.A N ASP 149.A O no hydrogen 2.928 N/A VAL 154.A N VAL 150.A O no hydrogen 2.926 N/A GLN 155.A N TYR 151.A O no hydrogen 3.082 N/A GLN 156.A N LEU 152.A O no hydrogen 3.080 N/A LYS 157.A N ASP 153.A O no hydrogen 2.773 N/A LYS 157.A NZ ASP 153.A OD1 no hydrogen 2.842 N/A LYS 157.A NZ ASP 153.A OD2 no hydrogen 3.256 N/A TRP 158.A N VAL 154.A O no hydrogen 2.715 N/A TRP 158.A NE1 ASP 93.A OD2 no hydrogen 3.066 N/A VAL 163.A N ALA 217.A O no hydrogen 3.150 N/A MET 164.A N ALA 129.A O no hydrogen 2.836 N/A LEU 165.A N VAL 215.A O no hydrogen 2.817 N/A MET 166.A N VAL 131.A O no hydrogen 2.885 N/A GLY 167.A N ARG 213.A O no hydrogen 3.129 N/A ASP 168.A N GLN 38.A OE1 no hydrogen 2.825 N/A ASN 170.A N ASP 168.A OD1 no hydrogen 3.069 N/A ASN 170.A ND2 SER 135.A OG no hydrogen 3.177 N/A ALA 171.A N TYR 211.A O no hydrogen 3.270 N/A ASP 172.A N ASN 170.A O no hydrogen 3.018 N/A CYS 173.A SG ASN 208.A O no hydrogen 3.401 N/A TYR 175.A N ASP 172.A O no hydrogen 3.112 N/A VAL 176.A N ASP 172.A O no hydrogen 3.225 N/A THR 177.A N GLN 180.A OE1 no hydrogen 2.672 N/A GLN 180.A N THR 177.A O no hydrogen 2.900 N/A TRP 181.A N SER 178.A O no hydrogen 3.381 N/A SER 182.A OG SER 179.A O no hydrogen 3.377 N/A SER 183.A N GLN 180.A O no hydrogen 2.840 N/A SER 183.A OG.B GLN 180.A O no hydrogen 2.776 N/A ILE 184.A N TRP 181.A O no hydrogen 3.057 N/A ARG 185.A N ASN 145.A OD1 no hydrogen 2.857 N/A ARG 185.A NE ASN 145.A OD1 no hydrogen 2.836 N/A ARG 185.A NH1 ASP 149.A OD1 no hydrogen 3.203 N/A ARG 185.A NH2 ASN 145.A O no hydrogen 3.110 N/A ARG 185.A NH2 ASP 149.A OD2 no hydrogen 2.745 N/A ARG 187.A N ILE 184.A O no hydrogen 2.915 N/A ARG 187.A NH1 ASP 198.A OD1 no hydrogen 2.924 N/A ARG 187.A NH1 ASP 198.A OD2 no hydrogen 3.546 N/A ARG 187.A NH2 ASP 198.A OD1 no hydrogen 3.459 N/A ARG 187.A NH2 ASP 198.A OD2 no hydrogen 3.185 N/A THR 188.A N ILE 184.A O no hydrogen 3.019 N/A THR 188.A OG1 ILE 184.A O no hydrogen 3.564 N/A SER 189.A N ARG 185.A O no hydrogen 3.033 N/A THR 191.A N SER 189.A OG no hydrogen 3.381 N/A THR 191.A OG1 SER 189.A OG no hydrogen 3.336 N/A PHE 192.A N SER 189.A O no hydrogen 3.319 N/A GLN 193.A N VAL 216.A O no hydrogen 2.928 N/A TRP 194.A NE1 LEU 186.A O no hydrogen 2.864 N/A LEU 195.A N ILE 214.A O no hydrogen 2.889 N/A ALA 200.A N PRO 197.A O no hydrogen 3.031 N/A THR 202.A N CYS 209.A O no hydrogen 2.933 N/A THR 202.A OG1 CYS 209.A O no hydrogen 3.422 N/A THR 202.A OG1 ASP 212.A OD2 no hydrogen 2.575 N/A THR 203.A N ASP 201.A OD1 no hydrogen 3.096 N/A THR 203.A OG1 ASP 201.A OD1 no hydrogen 2.996 N/A THR 203.A OG1 THR 205.A O no hydrogen 3.279 N/A THR 203.A OG1 THR 207.A OG1 no hydrogen 2.778 N/A ALA 204.A N ASP 251.A O no hydrogen 2.830 N/A THR 205.A OG1 THR 207.A OG1 no hydrogen 3.188 N/A THR 207.A OG1 THR 203.A OG1 no hydrogen 2.778 N/A THR 207.A OG1 THR 205.A OG1 no hydrogen 3.188 N/A CYS 209.A SG TYR 211.A OH no hydrogen 3.633 N/A ALA 210.A N ASP 172.A OD2 no hydrogen 2.811 N/A ASP 212.A N THR 202.A OG1 no hydrogen 3.012 N/A ARG 213.A N GLY 167.A O no hydrogen 2.935 N/A ARG 213.A NE ALA 210.A O no hydrogen 2.858 N/A ARG 213.A NH1 ILE 196.A O no hydrogen 2.779 N/A ARG 213.A NH1 ASP 198.A OD1 no hydrogen 2.915 N/A ARG 213.A NH2 ALA 171.A O no hydrogen 2.899 N/A ARG 213.A NH2 ASP 198.A OD1 no hydrogen 2.750 N/A ARG 213.A NH2 ALA 210.A O no hydrogen 3.504 N/A VAL 215.A N LEU 165.A O no hydrogen 2.900 N/A VAL 216.A N GLN 193.A O no hydrogen 2.873 N/A ALA 217.A N VAL 163.A O no hydrogen 2.808 N/A LEU 221.A N ASP 162.A OD1 no hydrogen 3.166 N/A GLN 222.A N GLY 218.A O no hydrogen 2.838 N/A GLN 222.A NE2 THR 191.A O no hydrogen 3.170 N/A GLN 222.A NE2 VAL 216.A O no hydrogen 3.100 N/A SER 223.A N SER 219.A O no hydrogen 2.609 N/A SER 223.A OG SER 219.A O no hydrogen 3.503 N/A SER 223.A OG LEU 220.A O no hydrogen 2.923 N/A SER 224.A N LEU 221.A O no hydrogen 2.900 N/A SER 224.A OG LEU 220.A O no hydrogen 2.821 N/A VAL 225.A N GLN 222.A O no hydrogen 3.377 N/A VAL 226.A N THR 258.A O no hydrogen 2.868 N/A SER 229.A N VAL 226.A O no hydrogen 2.906 N/A SER 229.A OG VAL 226.A O no hydrogen 2.709 N/A SER 229.A OG THR 258.A O no hydrogen 3.373 N/A ALA 231.A N GLU 256.A O no hydrogen 2.962 N/A PHE 233.A N PRO 254.A O no hydrogen 2.777 N/A GLN 236.A NE2 ASN 243.A OD1 no hydrogen 3.064 N/A ALA 237.A N ASP 234.A OD1 no hydrogen 3.068 N/A ALA 238.A N ASP 234.A O no hydrogen 2.944 N/A TYR 239.A N PHE 235.A O no hydrogen 3.080 N/A GLY 240.A N ALA 237.A O no hydrogen 3.100 N/A LEU 241.A N GLN 236.A O no hydrogen 2.851 N/A GLU 244.A N GLU 244.A OE1 no hydrogen 2.815 N/A MET 245.A N SER 242.A OG no hydrogen 3.083 N/A ALA 246.A N SER 242.A O no hydrogen 3.042 N/A LEU 247.A N ASN 243.A O no hydrogen 2.863 N/A ALA 248.A N GLU 244.A O no hydrogen 3.165 N/A ALA 248.A N MET 245.A O no hydrogen 3.182 N/A ILE 249.A N MET 245.A O no hydrogen 3.339 N/A ILE 249.A N ALA 246.A O no hydrogen 3.069 N/A SER 250.A N ALA 246.A O no hydrogen 3.144 N/A SER 250.A OG ASN 7.A O no hydrogen 2.611 N/A SER 250.A OG ASP 251.A OD1 no hydrogen 3.556 N/A HIS 252.A N SER 250.A OG no hydrogen 3.173 N/A HIS 252.A ND1 ASP 212.A OD2 no hydrogen 2.807 N/A TYR 253.A N THR 202.A O no hydrogen 2.913 N/A VAL 255.A N ALA 5.A O no hydrogen 3.017 N/A GLU 256.A N ALA 231.A O no hydrogen 2.886 N/A VAL 257.A N ILE 3.A O no hydrogen 2.894 N/A THR 258.A N SER 229.A OG no hydrogen 2.964 N/A LEU 259.A N LEU 1.A O no hydrogen 2.643 N/A THR 260.A N SER 224.A O no hydrogen 2.758 N/A THR 260.A OG1 SER 224.A O no hydrogen 3.392 N/A