Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2a0x_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH ASN 53.A O no hydrogen 2.748 N/A THR 4.A N ASP 7.A OD2 no hydrogen 2.870 N/A THR 4.A OG1 ASP 7.A OD2 no hydrogen 3.298 N/A ASP 7.A N THR 4.A O no hydrogen 2.931 N/A ASP 7.A N THR 4.A OG1 no hydrogen 3.376 N/A TYR 8.A OH ASN 1.A OD1 no hydrogen 3.035 N/A LYS 9.A N TYR 5.A O no hydrogen 3.092 N/A ASN 10.A N GLU 6.A O no hydrogen 2.660 N/A THR 11.A N ASP 7.A O no hydrogen 3.084 N/A THR 11.A OG1 ASP 7.A O no hydrogen 3.232 N/A THR 11.A OG1 PRO 52.A O no hydrogen 2.563 N/A THR 11.A OG1 ASN 53.A OD1 no hydrogen 3.192 N/A ALA 12.A N TYR 8.A O no hydrogen 3.026 N/A GLU 13.A N LYS 9.A O no hydrogen 2.855 N/A TRP 14.A N ASN 10.A O no hydrogen 2.992 N/A LEU 15.A N THR 11.A O no hydrogen 3.052 N/A LEU 16.A N ALA 12.A O no hydrogen 2.803 N/A SER 17.A N GLU 13.A O no hydrogen 3.147 N/A SER 17.A N TRP 14.A O no hydrogen 3.242 N/A SER 17.A OG GLU 13.A O no hydrogen 3.207 N/A SER 17.A OG TRP 14.A O no hydrogen 3.029 N/A SER 17.A OG HIS 18.A ND1 no hydrogen 3.169 N/A HIS 18.A N LEU 15.A O no hydrogen 2.939 N/A HIS 18.A ND1 TRP 14.A O no hydrogen 2.634 N/A THR 19.A OG1 GLN 44.A OE1 no hydrogen 2.699 N/A HIS 21.A N THR 19.A OG1 no hydrogen 3.327 N/A ARG 22.A NH1 THR 19.A O no hydrogen 2.682 N/A ARG 22.A NH1 HIS 21.A O no hydrogen 2.689 N/A ARG 22.A NH2 LEU 16.A O no hydrogen 2.780 N/A GLN 24.A N ALA 75.A O no hydrogen 2.734 N/A VAL 25.A N ALA 75.A O no hydrogen 3.123 N/A ALA 26.A N THR 108.A O no hydrogen 2.860 N/A ILE 27.A N VAL 77.A O no hydrogen 2.849 N/A ILE 28.A N VAL 110.A O no hydrogen 2.852 N/A CYS 29.A N MET 79.A O no hydrogen 3.126 N/A CYS 29.A SG LEU 33.A O no hydrogen 3.931 N/A CYS 29.A SG MET 79.A O no hydrogen 3.548 N/A GLY 30.A N THR 112.A OG1 no hydrogen 2.876 N/A LEU 33.A N GLY 30.A O no hydrogen 3.163 N/A LEU 36.A N LEU 33.A O no hydrogen 3.241 N/A THR 37.A N GLY 34.A O no hydrogen 3.031 N/A ASP 38.A N GLY 35.A O no hydrogen 2.668 N/A LYS 39.A N LEU 36.A O no hydrogen 3.178 N/A THR 41.A N PHE 70.A O no hydrogen 3.065 N/A GLN 44.A N PHE 68.A O no hydrogen 2.824 N/A GLN 44.A NE2 HIS 18.A O no hydrogen 2.763 N/A PHE 46.A N LEU 66.A O no hydrogen 2.906 N/A ASP 47.A N GLU 50.A OE2 no hydrogen 2.875 N/A TYR 48.A N GLY 64.A O no hydrogen 2.726 N/A TYR 48.A OH ARG 65.A O no hydrogen 3.357 N/A TYR 48.A OH GLY 81.A O no hydrogen 2.529 N/A GLU 50.A N ASP 47.A O no hydrogen 3.003 N/A ILE 51.A N TYR 48.A O no hydrogen 2.903 N/A PHE 54.A N ILE 51.A O no hydrogen 3.220 N/A THR 58.A N TYR 89.A OH no hydrogen 3.407 N/A ARG 65.A N GLN 80.A O no hydrogen 3.219 N/A LEU 66.A N PHE 46.A O no hydrogen 2.715 N/A VAL 67.A N MET 78.A O no hydrogen 2.838 N/A PHE 68.A N GLN 44.A O no hydrogen 2.943 N/A GLY 69.A N CYS 76.A O no hydrogen 2.936 N/A PHE 70.A N THR 41.A O no hydrogen 3.130 N/A LEU 71.A N ARG 74.A O no hydrogen 2.895 N/A ASN 72.A ND2 SER 274.A O no hydrogen 3.000 N/A ARG 74.A N LEU 71.A O no hydrogen 2.975 N/A ARG 74.A NE ILE 280.A O no hydrogen 2.935 N/A ARG 74.A NH1 GLY 73.A O no hydrogen 2.956 N/A ARG 74.A NH2 ILE 280.A O no hydrogen 2.926 N/A CYS 76.A N GLY 69.A O no hydrogen 2.686 N/A CYS 76.A SG ARG 74.A O no hydrogen 3.576 N/A VAL 77.A N VAL 25.A O no hydrogen 3.097 N/A MET 78.A N VAL 67.A O no hydrogen 2.716 N/A MET 79.A N ILE 27.A O no hydrogen 2.868 N/A GLN 80.A N ARG 65.A O no hydrogen 2.905 N/A ARG 82.A NE GLU 222.A OE1 no hydrogen 3.225 N/A ARG 82.A NH1 THR 112.A O no hydrogen 3.039 N/A ARG 82.A NH2 GLU 222.A OE1 no hydrogen 3.525 N/A HIS 84.A N GLU 87.A OE2 no hydrogen 2.902 N/A HIS 84.A ND1 GLU 87.A OE2 no hydrogen 2.915 N/A GLU 87.A N HIS 84.A O no hydrogen 3.172 N/A GLY 88.A N MET 85.A O no hydrogen 2.913 N/A TYR 89.A OH ARG 56.A O no hydrogen 3.283 N/A LYS 93.A N PRO 90.A O no hydrogen 2.943 N/A VAL 94.A N PRO 90.A O no hydrogen 3.202 N/A THR 95.A N LEU 91.A O no hydrogen 3.029 N/A THR 95.A OG1 LEU 91.A O no hydrogen 2.808 N/A PHE 96.A N LYS 93.A O no hydrogen 3.040 N/A ARG 99.A NH1 TYR 8.A OH no hydrogen 3.476 N/A ARG 99.A NH2 HIS 228.A ND1 no hydrogen 3.473 N/A VAL 100.A N PHE 96.A O no hydrogen 3.279 N/A PHE 101.A N PRO 97.A O no hydrogen 2.820 N/A HIS 102.A N VAL 98.A O no hydrogen 3.189 N/A LEU 103.A N ARG 99.A O no hydrogen 3.317 N/A LEU 104.A N VAL 100.A O no hydrogen 2.978 N/A LEU 104.A N PHE 101.A O no hydrogen 2.931 N/A GLY 105.A N HIS 102.A O no hydrogen 3.132 N/A VAL 106.A N PHE 101.A O no hydrogen 3.058 N/A ASP 107.A N GLN 24.A O no hydrogen 2.882 N/A THR 108.A N GLN 24.A O no hydrogen 3.312 N/A THR 108.A OG1 ASP 107.A OD2 no hydrogen 2.668 N/A LEU 109.A N ARG 232.A O no hydrogen 2.776 N/A VAL 110.A N ALA 26.A O no hydrogen 2.881 N/A VAL 111.A N PHE 234.A O no hydrogen 3.069 N/A THR 112.A N ILE 28.A O no hydrogen 3.093 N/A THR 112.A OG1 ILE 28.A O no hydrogen 2.997 N/A ASN 113.A N PHE 236.A O no hydrogen 3.276 N/A ASN 113.A ND2 THR 219.A OG1 no hydrogen 2.765 N/A ALA 115.A N LEU 238.A O no hydrogen 2.979 N/A GLY 116.A N VAL 215.A O no hydrogen 2.931 N/A GLY 117.A N ASN 241.A O no hydrogen 2.718 N/A LEU 118.A N ASP 213.A O no hydrogen 2.813 N/A ASN 119.A N ASP 213.A O no hydrogen 3.085 N/A ASN 119.A ND2 ASP 213.A OD1 no hydrogen 2.944 N/A LYS 121.A N ASN 119.A OD1 no hydrogen 2.891 N/A PHE 122.A N ASN 119.A O no hydrogen 3.117 N/A GLU 123.A N ASP 126.A OD2 no hydrogen 3.236 N/A GLY 125.A N ILE 239.A O no hydrogen 2.850 N/A ASP 126.A N GLU 123.A O no hydrogen 2.947 N/A MET 128.A N SER 237.A O no hydrogen 2.814 N/A LEU 129.A N GLN 186.A O no hydrogen 2.665 N/A ILE 130.A N GLY 235.A O no hydrogen 2.941 N/A ARG 131.A N GLY 188.A O no hydrogen 2.936 N/A HIS 133.A N ASP 132.A OD1 no hydrogen 2.791 N/A HIS 133.A ND1 TYR 164.A OH no hydrogen 2.886 N/A ILE 134.A N TYR 190.A O no hydrogen 2.887 N/A GLY 138.A N ASN 135.A OD1 no hydrogen 2.927 N/A PHE 139.A N ASN 135.A O no hydrogen 3.123 N/A PHE 139.A N LEU 136.A O no hydrogen 3.177 N/A SER 140.A N PRO 137.A O no hydrogen 3.094 N/A GLY 141.A N GLY 138.A O no hydrogen 3.218 N/A GLN 142.A N PRO 137.A O no hydrogen 3.044 N/A ASN 143.A N GLY 141.A O no hydrogen 2.865 N/A LEU 145.A N ASN 143.A OD1 no hydrogen 2.779 N/A ARG 146.A N ASN 143.A O no hydrogen 2.999 N/A ASN 149.A ND2 GLY 154.A O no hydrogen 2.947 N/A ARG 152.A N ASP 150.A OD1 no hydrogen 2.872 N/A ARG 152.A NE ASP 150.A OD1 no hydrogen 3.062 N/A ARG 152.A NH2 ASP 150.A OD2 no hydrogen 3.029 N/A PHE 153.A N ASP 150.A O no hydrogen 2.831 N/A GLY 154.A N ASP 150.A O no hydrogen 3.232 N/A ARG 156.A NE ARG 156.A O no hydrogen 3.025 N/A ARG 156.A NH1 GLY 147.A O no hydrogen 2.841 N/A ARG 156.A NH2 LEU 145.A O no hydrogen 2.974 N/A ARG 156.A NH2 GLY 147.A O no hydrogen 3.077 N/A ALA 163.A N MET 160.A O no hydrogen 3.010 N/A TYR 164.A OH HIS 133.A ND1 no hydrogen 2.886 N/A ASP 165.A N VAL 233.A O no hydrogen 2.938 N/A MET 168.A N ASP 165.A OD2 no hydrogen 2.653 N/A ARG 169.A N ASP 165.A O no hydrogen 3.146 N/A ARG 169.A NE TYR 164.A O no hydrogen 2.975 N/A ARG 169.A NH1 GLU 187.A OE2 no hydrogen 3.407 N/A GLN 170.A N ARG 166.A O no hydrogen 3.028 N/A ARG 171.A N THR 167.A O no hydrogen 2.907 N/A ARG 171.A NH1 SER 279.A O no hydrogen 3.011 N/A ALA 172.A N MET 168.A O no hydrogen 2.737 N/A LEU 173.A N ARG 169.A O no hydrogen 2.885 N/A SER 174.A N GLN 170.A O no hydrogen 2.813 N/A SER 174.A OG GLN 170.A O no hydrogen 3.168 N/A THR 175.A N ARG 171.A O no hydrogen 2.874 N/A THR 175.A OG1 ARG 171.A O no hydrogen 2.716 N/A TRP 176.A N ALA 172.A O no hydrogen 3.043 N/A TRP 176.A NE1 ARG 183.A O no hydrogen 3.059 N/A LYS 177.A N LEU 173.A O no hydrogen 3.217 N/A GLN 178.A N SER 174.A O no hydrogen 2.714 N/A MET 179.A N THR 175.A O no hydrogen 3.004 N/A GLY 180.A N LYS 177.A O no hydrogen 2.763 N/A ARG 183.A NE ASP 126.A OD1 no hydrogen 3.117 N/A ARG 183.A NH2 ASP 126.A OD2 no hydrogen 2.798 N/A GLU 184.A N GLU 184.A OE2 no hydrogen 2.656 N/A GLN 186.A N ILE 127.A O no hydrogen 2.946 N/A GLY 188.A N LEU 129.A O no hydrogen 3.024 N/A THR 189.A N ASP 213.A OD2 no hydrogen 2.658 N/A TYR 190.A N ASP 132.A O no hydrogen 2.901 N/A TYR 190.A OH SER 218.A O no hydrogen 3.300 N/A VAL 191.A N ALA 214.A O no hydrogen 2.837 N/A MET 192.A N ILE 134.A O no hydrogen 3.120 N/A VAL 193.A N GLY 216.A O no hydrogen 2.977 N/A THR 200.A N GLU 203.A OE1 no hydrogen 2.896 N/A GLU 203.A N THR 200.A OG1 no hydrogen 3.121 N/A CYS 204.A N THR 200.A O no hydrogen 2.914 N/A CYS 204.A SG GLN 208.A OE1 no hydrogen 3.597 N/A CYS 204.A SG ILE 244.A O no hydrogen 3.634 N/A ARG 205.A N VAL 201.A O no hydrogen 3.000 N/A ARG 205.A NE MET 245.A O no hydrogen 2.980 N/A ARG 205.A NH2 MET 245.A O no hydrogen 3.136 N/A VAL 206.A N ALA 202.A O no hydrogen 3.066 N/A LEU 207.A N GLU 203.A O no hydrogen 2.898 N/A GLN 208.A N CYS 204.A O no hydrogen 2.938 N/A GLN 208.A NE2 LEU 118.A O no hydrogen 2.747 N/A LYS 209.A N ARG 205.A O no hydrogen 2.930 N/A LEU 210.A N VAL 206.A O no hydrogen 3.014 N/A GLY 211.A N GLN 208.A O no hydrogen 2.956 N/A ALA 212.A N LEU 207.A O no hydrogen 3.198 N/A ASP 213.A N THR 189.A O no hydrogen 2.755 N/A ALA 214.A N THR 189.A O no hydrogen 3.151 N/A VAL 215.A N GLY 116.A O no hydrogen 2.890 N/A GLY 216.A N VAL 191.A O no hydrogen 3.122 N/A SER 218.A N TYR 190.A OH no hydrogen 3.203 N/A SER 218.A OG THR 219.A OG1 no hydrogen 3.026 N/A THR 219.A OG1 SER 218.A OG no hydrogen 3.026 N/A VAL 220.A N SER 218.A O no hydrogen 2.865 N/A GLU 222.A N GLU 222.A OE2 no hydrogen 2.762 N/A VAL 223.A N THR 219.A O no hydrogen 2.952 N/A ILE 224.A N VAL 220.A O no hydrogen 2.972 N/A VAL 225.A N PRO 221.A O no hydrogen 3.110 N/A ALA 226.A N GLU 222.A O no hydrogen 2.875 N/A ARG 227.A N VAL 223.A O no hydrogen 2.868 N/A ARG 227.A NH1 LEU 231.A O no hydrogen 2.839 N/A HIS 228.A N ILE 224.A O no hydrogen 2.932 N/A HIS 228.A NE2 ASN 149.A OD1 no hydrogen 2.865 N/A HIS 228.A NE2 ASP 155.A O no hydrogen 2.712 N/A CYS 229.A N VAL 225.A O no hydrogen 2.983 N/A CYS 229.A SG VAL 225.A O no hydrogen 3.535 N/A GLY 230.A N ARG 227.A O no hydrogen 2.845 N/A LEU 231.A N ALA 226.A O no hydrogen 3.083 N/A ARG 232.A N ASP 107.A O no hydrogen 2.830 N/A ARG 232.A NH2 THR 108.A OG1 no hydrogen 2.730 N/A PHE 234.A N LEU 109.A O no hydrogen 3.125 N/A PHE 236.A N VAL 111.A O no hydrogen 3.168 N/A SER 237.A N MET 128.A O no hydrogen 2.852 N/A SER 237.A OG ASN 113.A OD1 no hydrogen 2.881 N/A LEU 238.A N ASN 113.A O no hydrogen 2.853 N/A ILE 239.A N ASP 126.A O no hydrogen 2.995 N/A THR 240.A N ALA 115.A O no hydrogen 3.046 N/A THR 240.A OG1 ASN 241.A OD1 no hydrogen 2.677 N/A LYS 242.A NZ GLU 123.A OE1 no hydrogen 2.833 N/A LYS 242.A NZ GLU 123.A OE2 no hydrogen 2.762 N/A VAL 243.A N GLY 117.A O no hydrogen 3.183 N/A SER 249.A N ASP 246.A OD2 no hydrogen 3.057 N/A GLU 251.A N SER 249.A OG no hydrogen 3.378 N/A GLU 257.A N ASN 254.A OD1 no hydrogen 2.693 N/A VAL 258.A N ASN 254.A O no hydrogen 3.360 N/A LEU 259.A N PHE 255.A O no hydrogen 3.291 N/A ALA 260.A N GLU 256.A O no hydrogen 3.036 N/A ALA 261.A N GLU 257.A O no hydrogen 3.030 N/A GLY 262.A N VAL 258.A O no hydrogen 2.795 N/A LYS 263.A N ALA 260.A O no hydrogen 2.959 N/A GLN 264.A N ALA 260.A O no hydrogen 3.244 N/A LYS 268.A N GLN 267.A OE1 no hydrogen 2.653 N/A LYS 268.A NZ GLY 125.A O no hydrogen 3.222 N/A LEU 269.A N ALA 266.A O no hydrogen 2.926 N/A GLU 270.A N ALA 266.A O no hydrogen 3.429 N/A GLN 271.A N GLN 267.A O no hydrogen 3.024 N/A PHE 272.A N LYS 268.A O no hydrogen 3.065 N/A VAL 273.A N LEU 269.A O no hydrogen 2.748 N/A SER 274.A N GLU 270.A O no hydrogen 2.972 N/A ILE 275.A N GLN 271.A O no hydrogen 2.838 N/A LEU 276.A N PHE 272.A O no hydrogen 2.823 N/A MET 277.A N VAL 273.A O no hydrogen 3.260 N/A MET 277.A N SER 274.A O no hydrogen 3.109 N/A ALA 278.A N ILE 275.A O no hydrogen 3.128 N/A SER 279.A N LEU 276.A O no hydrogen 2.930 N/A ILE 280.A N MET 277.A O no hydrogen 3.007 N/A