Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1a3g_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A NZ ALA 2.A O no hydrogen 3.449 N/A ASP 3.A N ASN 86.A OD1 no hydrogen 3.202 N/A ILE 5.A N VAL 12.A O no hydrogen 2.659 N/A TRP 6.A N ILE 118.A O no hydrogen 3.214 N/A PHE 7.A N GLU 10.A O no hydrogen 2.807 N/A ASN 8.A N VAL 116.A O no hydrogen 2.825 N/A ASN 8.A ND2 ASP 115.A OD1 no hydrogen 2.805 N/A GLU 10.A N PHE 7.A O no hydrogen 2.886 N/A VAL 12.A N ILE 5.A O no hydrogen 2.943 N/A ASP 16.A N ARG 13.A O no hydrogen 3.175 N/A LYS 18.A N ASP 16.A O no hydrogen 2.842 N/A SER 23.A N HIS 20.A O no hydrogen 2.858 N/A SER 23.A OG HIS 20.A O no hydrogen 2.729 N/A HIS 24.A N GLY 100.A O no hydrogen 3.067 N/A HIS 24.A NE2 VAL 106.A O no hydrogen 2.897 N/A ALA 25.A N VAL 99.A O no hydrogen 3.136 N/A LEU 26.A N SER 23.A O no hydrogen 3.362 N/A HIS 27.A N HIS 24.A O no hydrogen 2.973 N/A HIS 27.A ND1 SER 23.A O no hydrogen 3.158 N/A TYR 28.A N HIS 24.A O no hydrogen 2.880 N/A TYR 28.A OH MET 104.A O no hydrogen 2.876 N/A GLY 29.A N ALA 25.A O no hydrogen 3.239 N/A SER 31.A N GLY 29.A O no hydrogen 2.772 N/A VAL 32.A N ILE 97.A O no hydrogen 2.779 N/A PHE 33.A N LYS 146.A O no hydrogen 3.441 N/A GLU 34.A N PRO 95.A O no hydrogen 3.139 N/A ILE 36.A N ILE 93.A O no hydrogen 3.267 N/A ARG 37.A NE ALA 91.A O no hydrogen 3.504 N/A CYS 38.A N ALA 91.A O no hydrogen 3.150 N/A CYS 38.A SG VAL 46.A O no hydrogen 3.609 N/A CYS 38.A SG THR 89.A O no hydrogen 3.208 N/A TYR 39.A N VAL 46.A O no hydrogen 2.534 N/A TYR 39.A OH GLU 247.A OE2 no hydrogen 2.808 N/A HIS 42.A N PHE 279.A O no hydrogen 2.927 N/A HIS 42.A NE2 LEU 278.A O no hydrogen 3.211 N/A LYS 43.A N SER 41.A OG no hydrogen 2.796 N/A GLY 44.A N SER 41.A OG no hydrogen 2.357 N/A VAL 46.A N TYR 39.A O no hydrogen 2.725 N/A VAL 47.A N ASP 291.A O no hydrogen 3.221 N/A PHE 48.A N ARG 37.A O no hydrogen 2.959 N/A ARG 49.A N TRP 289.A O no hydrogen 2.915 N/A ARG 49.A NE GLU 52.A OE2 no hydrogen 2.625 N/A ARG 49.A NH1 ASP 210.A OD2 no hydrogen 2.769 N/A ARG 49.A NH2 GLU 52.A OE2 no hydrogen 2.747 N/A ARG 49.A NH2 ASP 210.A OD2 no hydrogen 3.043 N/A HIS 50.A ND1 ASP 291.A OD2 no hydrogen 2.872 N/A ARG 51.A NH1 ASP 73.A OD1 no hydrogen 3.437 N/A GLU 52.A N GLU 52.A OE1 no hydrogen 3.072 N/A HIS 53.A N ARG 49.A O no hydrogen 2.998 N/A HIS 53.A N HIS 50.A O no hydrogen 2.806 N/A HIS 53.A ND1 ARG 49.A O no hydrogen 3.154 N/A MET 54.A N HIS 50.A O no hydrogen 3.027 N/A GLN 55.A N ARG 51.A O no hydrogen 2.877 N/A ARG 56.A N GLU 52.A O no hydrogen 3.183 N/A ARG 56.A NE GLU 34.A OE1 no hydrogen 3.454 N/A ARG 56.A NE GLU 34.A OE2 no hydrogen 2.671 N/A ARG 56.A NH2 GLU 34.A OE1 no hydrogen 2.769 N/A LEU 57.A N HIS 53.A O no hydrogen 2.880 N/A HIS 58.A N MET 54.A O no hydrogen 3.007 N/A ASP 59.A N GLN 55.A O no hydrogen 2.796 N/A SER 60.A N ARG 56.A O no hydrogen 2.956 N/A SER 60.A OG ARG 56.A O no hydrogen 3.426 N/A ALA 61.A N LEU 57.A O no hydrogen 3.459 N/A LYS 62.A N HIS 58.A O no hydrogen 3.031 N/A ILE 63.A N ASP 59.A O no hydrogen 3.054 N/A ARG 65.A N ALA 61.A O no hydrogen 2.578 N/A ARG 65.A N LYS 62.A O no hydrogen 3.138 N/A PHE 66.A N ALA 61.A O no hydrogen 3.272 N/A GLU 74.A N SER 71.A OG no hydrogen 2.733 N/A LEU 75.A N SER 71.A O no hydrogen 2.647 N/A MET 76.A N ILE 72.A O no hydrogen 2.872 N/A GLU 77.A N ASP 73.A O no hydrogen 3.021 N/A ALA 78.A N GLU 74.A O no hydrogen 3.140 N/A CYS 79.A N LEU 75.A O no hydrogen 3.099 N/A CYS 79.A SG HIS 50.A NE2 no hydrogen 3.447 N/A ARG 80.A N MET 76.A O no hydrogen 3.039 N/A ARG 80.A NE ASP 291.A OD2 no hydrogen 3.143 N/A ASP 81.A N GLU 77.A O no hydrogen 2.804 N/A VAL 82.A N ALA 78.A O no hydrogen 2.813 N/A ILE 83.A N CYS 79.A O no hydrogen 3.193 N/A ARG 84.A N ARG 80.A O no hydrogen 3.002 N/A ARG 84.A NH1 ASP 81.A OD1 no hydrogen 3.057 N/A ARG 84.A NH2 VAL 293.A O no hydrogen 2.684 N/A LYS 85.A N ASP 81.A O no hydrogen 2.691 N/A ASN 86.A N VAL 82.A O no hydrogen 3.140 N/A ASN 86.A N ILE 83.A O no hydrogen 3.186 N/A ASN 86.A ND2 TYR 4.A O no hydrogen 3.307 N/A ASN 86.A ND2 VAL 82.A O no hydrogen 2.881 N/A ASN 87.A N ARG 84.A O no hydrogen 2.770 N/A LEU 88.A N ILE 83.A O no hydrogen 3.109 N/A ALA 91.A N CYS 38.A O no hydrogen 3.286 N/A TYR 92.A N PHE 121.A O no hydrogen 2.816 N/A ILE 93.A N ILE 36.A O no hydrogen 2.677 N/A ARG 94.A N ALA 119.A O no hydrogen 2.676 N/A LEU 96.A N ILE 117.A O no hydrogen 2.794 N/A ILE 97.A N VAL 32.A O no hydrogen 3.049 N/A PHE 98.A N ASP 115.A O no hydrogen 3.175 N/A VAL 99.A N THR 30.A O no hydrogen 3.171 N/A SER 113.A OG THR 114.A O no hydrogen 3.303 N/A THR 114.A OG1 PRO 67.A O no hydrogen 2.862 N/A ASP 115.A N PHE 98.A O no hydrogen 3.065 N/A VAL 116.A N ASN 8.A OD1 no hydrogen 2.705 N/A ILE 117.A N LEU 96.A O no hydrogen 2.804 N/A ILE 118.A N TRP 6.A O no hydrogen 3.104 N/A ALA 119.A N ARG 94.A O no hydrogen 3.402 N/A PHE 121.A N TYR 92.A O no hydrogen 3.257 N/A TRP 123.A N SER 90.A O no hydrogen 2.916 N/A ALA 128.A N SER 253.A O no hydrogen 2.835 N/A VAL 130.A N ASP 255.A OD1 no hydrogen 2.988 N/A SER 131.A N ILE 170.A O no hydrogen 3.085 N/A SER 131.A OG TRP 133.A O no hydrogen 3.436 N/A SER 131.A OG GLU 160.A OE1 no hydrogen 2.991 N/A SER 132.A N GLU 160.A OE1 no hydrogen 3.137 N/A SER 132.A OG GLU 160.A OE1 no hydrogen 3.300 N/A SER 132.A OG GLU 160.A OE2 no hydrogen 2.624 N/A TRP 133.A N SER 131.A OG no hydrogen 2.719 N/A ARG 135.A N LEU 172.A O no hydrogen 2.901 N/A ARG 135.A NE SER 202.A O no hydrogen 2.993 N/A ARG 135.A NH2 SER 202.A O no hydrogen 3.023 N/A THR 140.A N PRO 138.A O no hydrogen 2.657 N/A THR 140.A OG1 ALA 137.A O no hydrogen 2.874 N/A ALA 145.A N PRO 142.A O no hydrogen 2.892 N/A LYS 146.A N SER 60.A OG no hydrogen 3.150 N/A LYS 146.A NZ TYR 151.A OH no hydrogen 2.960 N/A GLY 148.A N SER 31.A O no hydrogen 3.101 N/A ASN 150.A N ALA 147.A O no hydrogen 3.069 N/A ASN 150.A ND2 ALA 145.A O no hydrogen 2.826 N/A TYR 151.A N GLY 148.A O no hydrogen 3.106 N/A SER 153.A N ASN 150.A O no hydrogen 2.879 N/A SER 154.A OG ALA 182.A O no hydrogen 2.630 N/A LEU 155.A N TYR 151.A O no hydrogen 2.854 N/A LEU 156.A N LEU 152.A O no hydrogen 2.903 N/A VAL 157.A N SER 153.A O no hydrogen 3.131 N/A GLY 158.A N SER 154.A O no hydrogen 2.933 N/A SER 159.A N LEU 155.A O no hydrogen 2.927 N/A SER 159.A OG LEU 155.A O no hydrogen 2.477 N/A SER 159.A OG LEU 156.A O no hydrogen 3.419 N/A GLU 160.A N LEU 156.A O no hydrogen 3.350 N/A ALA 161.A N VAL 157.A O no hydrogen 3.369 N/A ARG 162.A N GLY 158.A O no hydrogen 3.185 N/A ARG 163.A N SER 159.A O no hydrogen 2.652 N/A HIS 164.A N ALA 161.A O no hydrogen 3.025 N/A GLY 165.A N ARG 162.A O no hydrogen 3.138 N/A TYR 166.A N ALA 161.A O no hydrogen 2.932 N/A GLN 167.A N ASP 127.A O no hydrogen 3.302 N/A GLN 167.A NE2 ASP 127.A OD2 no hydrogen 3.371 N/A GLN 167.A NE2 GLY 165.A O no hydrogen 3.698 N/A GLY 169.A N GLU 168.A OE2 no hydrogen 3.087 N/A ILE 170.A N MET 129.A O no hydrogen 2.780 N/A ALA 171.A N GLU 180.A O no hydrogen 2.644 N/A ASP 173.A N TYR 177.A O no hydrogen 2.809 N/A ASN 175.A N ASP 173.A OD1 no hydrogen 2.685 N/A ASN 175.A ND2 ASP 173.A OD2 no hydrogen 3.378 N/A GLY 176.A N ASP 173.A O no hydrogen 2.998 N/A TYR 177.A N ASP 173.A OD1 no hydrogen 2.956 N/A ILE 178.A N LEU 228.A O no hydrogen 3.001 N/A SER 179.A N ALA 171.A O no hydrogen 3.058 N/A SER 179.A OG SER 201.A O no hydrogen 2.885 N/A GLU 180.A N ALA 171.A O no hydrogen 3.177 N/A GLY 181.A N GLU 184.A O no hydrogen 2.873 N/A ALA 182.A N GLY 169.A O no hydrogen 2.933 N/A ASN 185.A N SER 242.A O no hydrogen 3.135 N/A PHE 187.A N PHE 240.A O no hydrogen 2.879 N/A GLU 188.A N PHE 195.A O no hydrogen 3.023 N/A VAL 189.A N GLU 238.A O no hydrogen 2.805 N/A LYS 190.A N VAL 193.A O no hydrogen 3.091 N/A LYS 190.A NZ LEU 235.A O no hydrogen 3.372 N/A GLY 192.A N LYS 190.A O no hydrogen 2.592 N/A LEU 194.A N GLU 222.A O no hydrogen 2.987 N/A THR 196.A N ARG 224.A O no hydrogen 3.167 N/A SER 201.A N PRO 198.A O no hydrogen 3.091 N/A SER 202.A OG ALA 136.A O no hydrogen 2.548 N/A LEU 204.A N GLU 180.A OE2 no hydrogen 3.218 N/A ARG 209.A NH1 GLU 225.A OE2 no hydrogen 3.328 N/A ARG 209.A NH2 PRO 197.A O no hydrogen 2.968 N/A ARG 209.A NH2 GLU 225.A OE2 no hydrogen 2.872 N/A ASP 210.A N GLY 206.A O no hydrogen 3.223 N/A ALA 211.A N ILE 207.A O no hydrogen 3.088 N/A ILE 212.A N THR 208.A O no hydrogen 2.850 N/A ILE 213.A N ARG 209.A O no hydrogen 3.239 N/A LYS 214.A N ASP 210.A O no hydrogen 3.188 N/A LYS 214.A NZ ASP 210.A OD2 no hydrogen 2.893 N/A LEU 215.A N ALA 211.A O no hydrogen 2.830 N/A ALA 216.A N ILE 212.A O no hydrogen 2.694 N/A LYS 217.A N ILE 213.A O no hydrogen 3.143 N/A GLU 218.A N LYS 214.A O no hydrogen 2.929 N/A LEU 219.A N LEU 215.A O no hydrogen 2.750 N/A GLY 220.A N LYS 217.A O no hydrogen 2.799 N/A ILE 221.A N ALA 216.A O no hydrogen 2.925 N/A ARG 224.A NE GLU 222.A OE2 no hydrogen 3.132 N/A GLN 226.A N THR 196.A O no hydrogen 2.807 N/A GLN 226.A NE2 VAL 227.A O no hydrogen 3.482 N/A GLU 231.A N GLU 231.A OE1 no hydrogen 2.594 N/A SER 232.A N SER 229.A O no hydrogen 2.944 N/A SER 232.A OG GLU 188.A OE1 no hydrogen 3.184 N/A SER 232.A OG GLU 188.A OE2 no hydrogen 2.557 N/A SER 232.A OG SER 229.A O no hydrogen 2.617 N/A LEU 233.A N ARG 230.A O no hydrogen 2.960 N/A TYR 234.A N GLU 231.A O no hydrogen 2.749 N/A TYR 234.A OH ASP 255.A OD2 no hydrogen 2.810 N/A LEU 235.A N GLU 231.A O no hydrogen 3.293 N/A LEU 235.A N SER 232.A O no hydrogen 3.022 N/A ALA 236.A N SER 232.A O no hydrogen 2.833 N/A ASP 237.A N VAL 189.A O no hydrogen 2.815 N/A GLU 238.A N VAL 189.A O no hydrogen 3.173 N/A PHE 240.A N PHE 187.A O no hydrogen 2.916 N/A MET 241.A N THR 249.A O no hydrogen 2.978 N/A SER 242.A N ASN 185.A O no hydrogen 2.862 N/A GLY 243.A N GLU 247.A O no hydrogen 3.241 N/A THR 244.A OG1 GLY 35.A O no hydrogen 3.545 N/A GLU 247.A N GLY 243.A O no hydrogen 2.641 N/A THR 249.A N MET 241.A O no hydrogen 2.844 N/A VAL 251.A N VAL 239.A O no hydrogen 3.011 N/A SER 253.A OG ASP 127.A OD1 no hydrogen 2.805 N/A VAL 254.A N ILE 257.A O no hydrogen 2.982 N/A ASP 255.A N ALA 128.A O no hydrogen 3.273 N/A ILE 257.A N VAL 254.A O no hydrogen 3.079 N/A VAL 259.A N ARG 252.A O no hydrogen 3.184 N/A CYS 264.A SG GLY 260.A O no hydrogen 3.075 N/A VAL 267.A N GLU 238.A OE2 no hydrogen 2.520 N/A THR 268.A N GLU 238.A OE1 no hydrogen 2.716 N/A THR 268.A OG1 GLU 238.A OE1 no hydrogen 2.411 N/A LYS 269.A N GLY 265.A O no hydrogen 2.727 N/A ARG 270.A N PRO 266.A O no hydrogen 3.036 N/A ARG 270.A NH2 LEU 219.A O no hydrogen 3.138 N/A ILE 271.A N VAL 267.A O no hydrogen 2.899 N/A GLN 272.A N THR 268.A O no hydrogen 2.764 N/A GLN 272.A NE2 ILE 248.A O no hydrogen 3.286 N/A GLN 273.A N LYS 269.A O no hydrogen 3.017 N/A ALA 274.A N ARG 270.A O no hydrogen 3.052 N/A PHE 275.A N ILE 271.A O no hydrogen 2.809 N/A PHE 276.A N GLN 272.A O no hydrogen 2.874 N/A GLY 277.A N GLN 273.A O no hydrogen 2.729 N/A LEU 278.A N PHE 275.A O no hydrogen 3.070 N/A PHE 279.A N PHE 276.A O no hydrogen 2.689 N/A THR 280.A N GLY 277.A O no hydrogen 3.084 N/A GLY 281.A N GLY 277.A O no hydrogen 2.781 N/A THR 283.A N GLY 277.A O no hydrogen 3.023 N/A THR 283.A OG1 ALA 274.A O no hydrogen 2.755 N/A LYS 286.A NZ GLU 218.A OE1 no hydrogen 2.797 N/A GLY 288.A N ASP 285.A OD1 no hydrogen 2.875 N/A TRP 289.A N ASP 285.A OD1 no hydrogen 2.680 N/A LEU 290.A N ASP 285.A OD2 no hydrogen 3.045 N/A ASP 291.A N VAL 47.A O no hydrogen 3.296 N/A GLN 292.A NE2 LYS 43.A O no hydrogen 2.748 N/A VAL 293.A N PRO 45.A O no hydrogen 2.787 N/A GLN 295.A NE2 GLN 292.A O no hydrogen 2.709 N/A