Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3q12_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N ASP 89.A O no hydrogen 3.024 N/A ILE 5.A N VAL 91.A O no hydrogen 2.859 N/A LEU 10.A N THR 7.A OG1 no hydrogen 3.307 N/A LEU 11.A N THR 7.A O no hydrogen 2.977 N/A ARG 12.A N LEU 8.A O no hydrogen 2.981 N/A ARG 12.A NH2 LEU 141.A O no hydrogen 2.822 N/A GLN 13.A N PRO 9.A O no hydrogen 3.043 N/A GLN 14.A N LEU 10.A O no hydrogen 3.237 N/A ILE 15.A N LEU 11.A O no hydrogen 2.942 N/A ARG 16.A N ARG 12.A O no hydrogen 2.868 N/A ARG 17.A N GLN 13.A O no hydrogen 3.073 N/A ARG 17.A NE.A GLU 21.A OE1 no hydrogen 2.774 N/A TRP 18.A N GLN 14.A O no hydrogen 2.972 N/A ARG 19.A N ILE 15.A O no hydrogen 3.052 N/A ARG 19.A NH1 LYS 23.A O no hydrogen 2.836 N/A ARG 19.A NH1 ASP 145.A OD2 no hydrogen 2.667 N/A ARG 19.A NH2 GLN 143.A O no hydrogen 2.695 N/A ARG 19.A NH2 ASP 145.A OD2 no hydrogen 2.933 N/A GLN 20.A N ARG 16.A O no hydrogen 2.947 N/A GLU 21.A N ARG 17.A O no hydrogen 2.999 N/A GLY 22.A N ARG 19.A O no hydrogen 2.995 N/A LYS 23.A N TRP 18.A O no hydrogen 2.934 N/A ARG 24.A N ASP 50.A OD2 no hydrogen 2.814 N/A ARG 24.A NE ARG 48.A O no hydrogen 3.309 N/A ARG 24.A NH2 ARG 48.A O no hydrogen 2.787 N/A ILE 25.A N ASP 145.A OD2 no hydrogen 2.896 N/A ALA 26.A N VAL 51.A O no hydrogen 2.872 N/A LEU 27.A N VAL 146.A O no hydrogen 2.884 N/A VAL 28.A N VAL 53.A O no hydrogen 2.837 N/A THR 30.A N THR 55.A O no hydrogen 2.923 N/A THR 30.A OG1 THR 55.A O no hydrogen 2.688 N/A GLY 32.A N THR 30.A OG1 no hydrogen 3.073 N/A ASN 33.A N ASP 79.A OD2 no hydrogen 2.794 N/A ASN 33.A ND2 THR 75.A OG1 no hydrogen 3.036 N/A LEU 34.A N ASP 79.A OD1 no hydrogen 2.923 N/A HIS 35.A N HIS 38.A ND1 no hydrogen 3.053 N/A GLU 36.A N GLU 36.A OE1.B no hydrogen 3.012 N/A GLY 37.A N HIS 35.A ND1 no hydrogen 2.908 N/A MET 39.A N HIS 35.A O no hydrogen 3.250 N/A THR 40.A N GLU 36.A O no hydrogen 3.050 N/A THR 40.A OG1.A GLU 36.A O no hydrogen 3.197 N/A THR 40.A OG1.B GLY 37.A O no hydrogen 2.967 N/A LEU 41.A N GLY 37.A O no hydrogen 3.165 N/A VAL 42.A N HIS 38.A O no hydrogen 3.035 N/A ASP 43.A N MET 39.A O no hydrogen 2.959 N/A GLU 44.A N THR 40.A O no hydrogen 2.926 N/A ALA 45.A N LEU 41.A O no hydrogen 2.871 N/A LYS 46.A N VAL 42.A O no hydrogen 2.937 N/A LYS 46.A NZ.A ASP 50.A O no hydrogen 2.811 N/A LYS 46.A NZ.A ASP 89.A OD1 no hydrogen 3.451 N/A LYS 46.A NZ.A ASP 89.A OD2 no hydrogen 2.657 N/A LYS 46.A NZ.B GLY 87.A O no hydrogen 2.702 N/A THR 47.A N GLU 44.A O no hydrogen 3.018 N/A THR 47.A OG1 GLU 44.A O no hydrogen 2.754 N/A ARG 48.A N ALA 45.A O no hydrogen 2.958 N/A ARG 48.A NE GLU 44.A OE2 no hydrogen 2.731 N/A ARG 48.A NH2 GLU 44.A OE2 no hydrogen 3.407 N/A ASP 50.A N ARG 24.A O no hydrogen 2.938 N/A VAL 51.A N ARG 24.A O no hydrogen 3.136 N/A VAL 52.A N ASP 89.A OD2 no hydrogen 2.845 N/A VAL 53.A N ALA 26.A O no hydrogen 2.851 N/A VAL 54.A N LEU 90.A O no hydrogen 2.820 N/A THR 55.A N VAL 28.A O no hydrogen 3.033 N/A ILE 56.A N PHE 92.A O no hydrogen 2.873 N/A PHE 57.A N THR 30.A O no hydrogen 3.082 N/A ASN 59.A ND2 GLN 62.A OE1 no hydrogen 2.889 N/A ASN 59.A ND2 GLY 130.A O no hydrogen 2.890 N/A LEU 61.A N ASN 59.A OD1 no hydrogen 3.323 N/A GLN 62.A N ASN 59.A O no hydrogen 3.156 N/A PHE 63.A N PRO 60.A O no hydrogen 3.236 N/A GLU 64.A N GLU 64.A OE1 no hydrogen 2.677 N/A ASP 68.A N ARG 65.A O no hydrogen 2.985 N/A LEU 69.A N ARG 65.A O no hydrogen 3.319 N/A ALA 70.A N PRO 66.A O no hydrogen 3.051 N/A HIS 71.A N ASP 67.A O no hydrogen 3.170 N/A TYR 72.A N LEU 69.A O no hydrogen 3.403 N/A THR 75.A OG1 ASP 79.A OD1 no hydrogen 3.003 N/A GLU 78.A N GLU 78.A OE1.A no hydrogen 2.684 N/A ASP 79.A N THR 75.A O no hydrogen 2.887 N/A CYS 80.A N LEU 76.A O no hydrogen 2.837 N/A CYS 80.A SG LEU 76.A O no hydrogen 3.449 N/A GLU 81.A N GLN 77.A O no hydrogen 2.989 N/A LYS 82.A N GLU 78.A O no hydrogen 3.088 N/A LYS 82.A NZ LEU 34.A O no hydrogen 2.889 N/A LEU 83.A N ASP 79.A O no hydrogen 3.020 N/A THR 84.A N CYS 80.A O no hydrogen 3.089 N/A THR 84.A OG1.A CYS 80.A O no hydrogen 3.132 N/A THR 84.A OG1.B GLU 81.A O no hydrogen 2.695 N/A ARG 85.A N LYS 82.A O no hydrogen 3.134 N/A HIS 86.A N LEU 83.A O no hydrogen 3.066 N/A HIS 86.A ND1 ASP 43.A OD1 no hydrogen 3.096 N/A GLY 87.A N LEU 83.A O no hydrogen 3.063 N/A ALA 88.A N LEU 83.A O no hydrogen 3.389 N/A ASP 89.A N VAL 52.A O no hydrogen 2.915 N/A LEU 90.A N VAL 52.A O no hydrogen 3.243 N/A VAL 91.A N LEU 3.A O no hydrogen 2.825 N/A PHE 92.A N VAL 54.A O no hydrogen 2.887 N/A ALA 93.A N ILE 5.A O no hydrogen 2.858 N/A ASP 98.A N ALA 95.A O no hydrogen 3.086 N/A ILE 99.A N ALA 95.A O no hydrogen 3.193 N/A TYR 100.A N ALA 96.A O no hydrogen 2.794 N/A TYR 100.A OH ASN 59.A OD1 no hydrogen 2.706 N/A GLY 103.A N TYR 100.A O no hydrogen 2.885 N/A GLN 107.A N LEU 104.A O no hydrogen 3.294 N/A GLN 107.A NE2 THR 108.A O no hydrogen 2.957 N/A VAL 110.A N THR 133.A OG1 no hydrogen 2.941 N/A LEU 115.A N VAL 112.A O no hydrogen 3.266 N/A SER 116.A N VAL 112.A O no hydrogen 3.085 N/A SER 116.A OG ASP 111.A OD1.B no hydrogen 3.363 N/A SER 116.A OG ASP 111.A OD2.B no hydrogen 3.089 N/A SER 116.A OG VAL 112.A O no hydrogen 3.125 N/A GLU 120.A N GLN 155.A OE1 no hydrogen 2.887 N/A GLY 121.A N ILE 118.A O no hydrogen 2.752 N/A ALA 122.A N LEU 119.A O no hydrogen 2.967 N/A SER 123.A N LEU 119.A O no hydrogen 3.232 N/A SER 123.A OG LEU 119.A O no hydrogen 3.514 N/A ARG 124.A N GLU 120.A O no hydrogen 2.822 N/A ARG 124.A NE GLU 64.A OE1 no hydrogen 3.234 N/A ARG 124.A NE GLU 64.A OE2 no hydrogen 3.071 N/A ARG 124.A NH2 GLU 64.A OE1 no hydrogen 2.965 N/A HIS 127.A N ARG 124.A O no hydrogen 3.092 N/A HIS 127.A ND1 GLN 62.A O no hydrogen 2.870 N/A ARG 129.A NE ASP 111.A OD1.A no hydrogen 2.817 N/A ARG 129.A NH2 ASP 111.A OD2.A no hydrogen 3.083 N/A VAL 131.A N HIS 127.A O no hydrogen 3.251 N/A SER 132.A N PHE 128.A O no hydrogen 2.944 N/A SER 132.A OG VAL 110.A O no hydrogen 2.699 N/A SER 132.A OG PHE 128.A O no hydrogen 3.075 N/A SER 132.A OG ARG 129.A O no hydrogen 3.455 N/A THR 133.A N ARG 129.A O no hydrogen 3.001 N/A THR 133.A OG1 VAL 110.A O no hydrogen 3.449 N/A THR 133.A OG1 ARG 129.A O no hydrogen 2.734 N/A ILE 134.A N GLY 130.A O no hydrogen 3.073 N/A VAL 135.A N VAL 131.A O no hydrogen 2.966 N/A SER 136.A N SER 132.A O no hydrogen 2.966 N/A SER 136.A OG.A SER 132.A O no hydrogen 2.931 N/A SER 136.A OG.B TYR 169.A OH no hydrogen 2.733 N/A LYS 137.A N THR 133.A O no hydrogen 3.007 N/A LYS 137.A NZ ILE 99.A O no hydrogen 2.720 N/A LEU 138.A N ILE 134.A O no hydrogen 2.867 N/A PHE 139.A N VAL 135.A O no hydrogen 2.855 N/A ASN 140.A N SER 136.A O no hydrogen 2.920 N/A LEU 141.A N LYS 137.A O no hydrogen 2.921 N/A ILE 142.A N LEU 138.A O no hydrogen 2.944 N/A GLN 143.A N PHE 139.A O no hydrogen 2.851 N/A ASP 145.A N ILE 25.A O no hydrogen 2.810 N/A VAL 146.A N ILE 25.A O no hydrogen 3.370 N/A ALA 147.A N ASN 172.A O no hydrogen 2.851 N/A CYS 148.A N LEU 27.A O no hydrogen 2.924 N/A PHE 149.A N VAL 174.A O no hydrogen 2.905 N/A GLU 151.A N VAL 176.A O no hydrogen 2.787 N/A TYR 154.A OH ALA 249.A O no hydrogen 2.709 N/A GLN 155.A NE2 LEU 115.A O no hydrogen 2.792 N/A GLN 155.A NE2 ILE 118.A O no hydrogen 2.884 N/A LEU 157.A N ASP 153.A O no hydrogen 3.096 N/A ALA 158.A N TYR 154.A O no hydrogen 3.144 N/A LEU 159.A N GLN 155.A O no hydrogen 2.772 N/A ILE 160.A N GLN 156.A O no hydrogen 2.940 N/A ARG 161.A N LEU 157.A O no hydrogen 2.932 N/A ARG 161.A NH2 ILE 173.A O no hydrogen 3.084 N/A LYS 162.A N ALA 158.A O no hydrogen 2.981 N/A LYS 162.A NZ.A ASP 166.A OD1 no hydrogen 2.880 N/A LYS 162.A NZ.A ASP 166.A OD2 no hydrogen 3.366 N/A LYS 162.A NZ.B ASP 166.A OD1 no hydrogen 3.468 N/A LYS 162.A NZ.B ASP 166.A OD2 no hydrogen 2.742 N/A MET 163.A N LEU 159.A O no hydrogen 2.921 N/A VAL 164.A N ILE 160.A O no hydrogen 2.894 N/A ALA 165.A N ARG 161.A O no hydrogen 3.038 N/A ASP 166.A N LYS 162.A O no hydrogen 2.878 N/A MET 167.A N MET 163.A O no hydrogen 2.838 N/A TYR 169.A N VAL 164.A O no hydrogen 3.239 N/A TYR 169.A OH SER 136.A OG.B no hydrogen 2.733 N/A TYR 169.A OH ASN 140.A OD1 no hydrogen 2.627 N/A ASN 172.A N ASP 145.A O no hydrogen 2.941 N/A VAL 174.A N ALA 147.A O no hydrogen 2.924 N/A VAL 176.A N PHE 149.A O no hydrogen 2.853 N/A ARG 180.A NH1 GLY 184.A O no hydrogen 3.010 N/A ARG 180.A NH1 ASP 277.A OD1 no hydrogen 3.470 N/A ARG 180.A NH1 ASP 277.A OD2 no hydrogen 2.751 N/A ARG 180.A NH2 ASP 277.A OD1 no hydrogen 2.836 N/A ALA 181.A N LEU 185.A O no hydrogen 2.793 N/A GLY 184.A N ALA 181.A O no hydrogen 2.951 N/A LEU 185.A N ASP 183.A OD2 no hydrogen 3.311 N/A LEU 187.A N VAL 179.A O no hydrogen 3.017 N/A SER 189.A OG GLY 32.A O no hydrogen 3.394 N/A SER 189.A OG ASN 33.A O no hydrogen 2.852 N/A ARG 190.A N SER 188.A OG no hydrogen 3.053 N/A ARG 190.A NE.B ASP 68.A OD1 no hydrogen 2.933 N/A ARG 190.A NH1.A ASP 68.A OD1 no hydrogen 2.707 N/A ARG 190.A NH1.A ASP 68.A OD2 no hydrogen 3.186 N/A ARG 190.A NH2.A ASP 68.A OD2 no hydrogen 2.982 N/A ARG 190.A NH2.B ASP 68.A OD1 no hydrogen 3.417 N/A ARG 190.A NH2.B ASP 68.A OD2 no hydrogen 2.881 N/A ASN 191.A N SER 188.A O no hydrogen 2.947 N/A ASN 191.A ND2 ALA 186.A O no hydrogen 2.940 N/A GLY 192.A N SER 189.A O no hydrogen 3.213 N/A TYR 193.A N ARG 190.A O no hydrogen 3.097 N/A TYR 193.A OH.A ASP 68.A OD1 no hydrogen 3.012 N/A LEU 194.A N ASN 191.A O no hydrogen 3.168 N/A THR 195.A N GLU 198.A OE1 no hydrogen 2.969 N/A GLU 198.A N THR 195.A OG1 no hydrogen 3.077 N/A ARG 199.A N THR 195.A O no hydrogen 2.826 N/A ARG 199.A NH1 ASP 183.A OD1 no hydrogen 2.797 N/A ARG 199.A NH1 ARG 199.A O no hydrogen 2.858 N/A ARG 199.A NH2 ASP 183.A OD1 no hydrogen 3.290 N/A ARG 199.A NH2 ASP 183.A OD2 no hydrogen 3.178 N/A GLN 200.A N GLU 197.A O no hydrogen 3.115 N/A ILE 201.A N GLU 198.A O no hydrogen 2.921 N/A ALA 202.A N GLU 198.A O no hydrogen 2.906 N/A GLN 204.A N ILE 201.A O no hydrogen 2.894 N/A LEU 205.A N ALA 202.A O no hydrogen 3.166 N/A SER 206.A OG GLY 184.A O no hydrogen 3.469 N/A SER 206.A OG PRO 203.A O no hydrogen 2.758 N/A LYS 207.A N PRO 203.A O no hydrogen 3.209 N/A ILE 208.A N GLN 204.A O no hydrogen 2.853 N/A MET 209.A N LEU 205.A O no hydrogen 3.010 N/A TRP 210.A N SER 206.A O no hydrogen 2.828 N/A TRP 210.A NE1 GLN 279.A OE1 no hydrogen 2.856 N/A ALA 211.A N LYS 207.A O no hydrogen 2.990 N/A LEU 212.A N ILE 208.A O no hydrogen 3.055 N/A ALA 213.A N MET 209.A O no hydrogen 2.950 N/A GLU 214.A N TRP 210.A O no hydrogen 2.823 N/A LYS 215.A N ALA 211.A O no hydrogen 3.137 N/A MET 216.A N LEU 212.A O no hydrogen 2.999 N/A ALA 217.A N ALA 213.A O no hydrogen 2.859 N/A LEU 218.A N GLU 214.A O no hydrogen 3.054 N/A GLY 219.A N MET 216.A O no hydrogen 3.022 N/A GLU 220.A N LYS 215.A O no hydrogen 3.080 N/A ARG 221.A NH1 MET 216.A O no hydrogen 2.930 N/A ARG 221.A NH1 GLU 220.A O no hydrogen 2.914 N/A LEU 226.A N GLN 222.A O no hydrogen 2.974 N/A LEU 227.A N ILE 223.A O no hydrogen 2.918 N/A GLU 228.A N ASP 224.A O no hydrogen 2.853 N/A GLU 229.A N ALA 225.A O no hydrogen 3.076 N/A ALA 230.A N LEU 226.A O no hydrogen 3.050 N/A ALA 231.A N LEU 227.A O no hydrogen 2.891 N/A ALA 232.A N GLU 228.A O no hydrogen 2.908 N/A GLN 233.A N GLU 229.A O no hydrogen 2.966 N/A GLN 233.A NE2 GLU 229.A OE2 no hydrogen 2.690 N/A LEU 234.A N ALA 230.A O no hydrogen 2.935 N/A LEU 235.A N ALA 231.A O no hydrogen 2.984 N/A ARG 236.A N ALA 232.A O no hydrogen 2.978 N/A VAL 237.A N GLN 233.A O no hydrogen 3.334 N/A GLY 238.A N LEU 234.A O no hydrogen 3.212 N/A GLY 238.A N LEU 235.A O no hydrogen 3.117 N/A PHE 239.A N LEU 234.A O no hydrogen 2.973 N/A THR 240.A N TRP 269.A O no hydrogen 2.832 N/A ASP 242.A N ALA 267.A O no hydrogen 2.969 N/A GLU 243.A N ASP 242.A OD1 no hydrogen 2.981 N/A PHE 245.A N LEU 265.A O no hydrogen 3.100 N/A ARG 247.A N VAL 263.A O no hydrogen 3.021 N/A ARG 247.A NH1 LEU 252.A O no hydrogen 2.936 N/A ASP 248.A N GLN 253.A O no hydrogen 2.817 N/A ALA 249.A N GLN 261.A O no hydrogen 2.889 N/A GLU 250.A N ASP 248.A OD2 no hydrogen 2.880 N/A THR 251.A N ASP 248.A OD2 no hydrogen 3.134 N/A LEU 252.A N ASP 248.A O no hydrogen 2.833 N/A GLN 253.A N THR 251.A OG1 no hydrogen 3.214 N/A THR 256.A N SER 259.A OG no hydrogen 2.972 N/A SER 259.A N THR 256.A O no hydrogen 3.019 N/A SER 259.A OG ASP 248.A OD1 no hydrogen 2.712 N/A SER 259.A OG THR 256.A O no hydrogen 3.363 N/A ALA 262.A N VAL 281.A O no hydrogen 2.849 N/A VAL 263.A N ARG 247.A O no hydrogen 2.816 N/A ILE 264.A N GLN 279.A O no hydrogen 2.871 N/A LEU 265.A N PHE 245.A O no hydrogen 2.872 N/A MET 266.A N ASP 277.A O no hydrogen 2.875 N/A ALA 268.A N LEU 275.A O no hydrogen 2.893 N/A TRP 269.A N THR 240.A O no hydrogen 2.830 N/A LEU 270.A N ALA 273.A O no hydrogen 2.883 N/A ALA 273.A N LEU 270.A O no hydrogen 3.060 N/A ARG 274.A NE ASP 242.A OD2 no hydrogen 2.906 N/A ARG 274.A NH1 GLU 120.A OE2 no hydrogen 2.665 N/A ARG 274.A NH2 GLU 120.A OE1 no hydrogen 2.861 N/A ARG 274.A NH2 GLU 120.A OE2 no hydrogen 3.274 N/A ARG 274.A NH2 ASP 242.A OD2 no hydrogen 3.063 N/A LEU 275.A N ALA 268.A O no hydrogen 2.840 N/A ASP 277.A N MET 266.A O no hydrogen 3.095 N/A ASN 278.A N ASP 277.A OD1 no hydrogen 2.842 N/A ASN 278.A ND2 GLU 151.A O no hydrogen 2.927 N/A GLN 279.A N ILE 264.A O no hydrogen 3.018 N/A GLN 279.A NE2 LEU 280.A O no hydrogen 2.881 N/A VAL 281.A N ALA 262.A O no hydrogen 2.868 N/A LEU 283.A N GLN 260.A O no hydrogen 2.906 N/A ARG 284.A N ASP 282.A OD1 no hydrogen 2.984 N/A ARG 284.A NE ASP 282.A OD1 no hydrogen 2.901 N/A ARG 284.A NE ASP 282.A OD2 no hydrogen 3.419 N/A ARG 284.A NH2 ASP 282.A OD2 no hydrogen 2.955 N/A