Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3un9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A NE2 LEU 4.A O no hydrogen 2.803 N/A LEU 9.A N PRO 5.A O no hydrogen 2.584 N/A LEU 10.A N PRO 6.A O no hydrogen 2.952 N/A ASP 11.A N SER 7.A O no hydrogen 2.966 N/A HIS 12.A N GLU 8.A O no hydrogen 3.149 N/A LEU 13.A N LEU 9.A O no hydrogen 3.034 N/A PHE 14.A N LEU 10.A O no hydrogen 2.893 N/A PHE 15.A N ASP 11.A O no hydrogen 2.933 N/A HIS 16.A N HIS 12.A O no hydrogen 3.265 N/A TYR 17.A N LEU 13.A O no hydrogen 2.983 N/A GLU 18.A N PHE 14.A O no hydrogen 2.904 N/A PHE 19.A N PHE 15.A O no hydrogen 2.710 N/A GLN 20.A N HIS 16.A O no hydrogen 2.939 N/A ASN 21.A N TYR 17.A O no hydrogen 3.111 N/A ASN 21.A N GLU 18.A O no hydrogen 3.267 N/A ASN 21.A ND2 TYR 17.A O no hydrogen 2.831 N/A SER 25.A N ASN 21.A O no hydrogen 2.993 N/A SER 25.A OG ASN 21.A O no hydrogen 3.269 N/A ALA 26.A N GLN 22.A O no hydrogen 3.039 N/A VAL 28.A N PHE 24.A O no hydrogen 3.323 N/A LEU 29.A N SER 25.A O no hydrogen 2.986 N/A SER 30.A N ALA 26.A O no hydrogen 3.448 N/A SER 30.A OG ALA 26.A O no hydrogen 3.567 N/A SER 30.A OG GLU 27.A O no hydrogen 2.679 N/A SER 31.A N VAL 28.A O no hydrogen 3.205 N/A SER 31.A OG VAL 28.A O no hydrogen 3.183 N/A LEU 32.A N LEU 29.A O no hydrogen 3.247 N/A LEU 35.A N GLU 63.A O no hydrogen 2.905 N/A LEU 37.A N ASN 65.A O no hydrogen 2.778 N/A ALA 38.A N ASN 36.A OD1 no hydrogen 3.066 N/A GLY 39.A N ALA 67.A O no hydrogen 3.024 N/A VAL 40.A N LEU 37.A O no hydrogen 3.112 N/A MET 42.A N CYS 69.A O no hydrogen 2.958 N/A LYS 46.A NZ ARG 41.A O no hydrogen 2.776 N/A CYS 47.A N THR 43.A O no hydrogen 2.903 N/A CYS 47.A SG MET 42.A O no hydrogen 3.867 N/A CYS 47.A SG THR 43.A O no hydrogen 3.451 N/A CYS 47.A SG GLY 75.A O no hydrogen 3.877 N/A THR 48.A N PRO 44.A O no hydrogen 2.798 N/A THR 48.A OG1 PRO 44.A O no hydrogen 3.055 N/A VAL 49.A N VAL 45.A O no hydrogen 2.843 N/A VAL 50.A N LYS 46.A O no hydrogen 3.025 N/A ALA 51.A N CYS 47.A O no hydrogen 3.036 N/A ALA 52.A N THR 48.A O no hydrogen 2.992 N/A VAL 53.A N VAL 49.A O no hydrogen 2.907 N/A LEU 54.A N VAL 50.A O no hydrogen 2.816 N/A LEU 61.A N ARG 85.A O no hydrogen 2.787 N/A ASP 62.A N ARG 33.A O no hydrogen 2.546 N/A VAL 64.A N LYS 88.A O no hydrogen 2.634 N/A ASN 65.A N LEU 35.A O no hydrogen 2.881 N/A LEU 66.A N GLY 90.A O no hydrogen 2.933 N/A ALA 67.A N ASN 65.A OD1 no hydrogen 3.069 N/A SER 68.A N GLN 92.A O no hydrogen 2.972 N/A CYS 69.A N ASN 94.A OD1 no hydrogen 2.731 N/A CYS 69.A SG LEU 37.A O no hydrogen 3.045 N/A CYS 69.A SG VAL 40.A O no hydrogen 3.383 N/A CYS 69.A SG LEU 66.A O no hydrogen 3.234 N/A CYS 69.A SG ALA 67.A O no hydrogen 3.379 N/A LEU 71.A N ASN 94.A OD1 no hydrogen 3.323 N/A GLY 75.A N ASP 72.A OD1 no hydrogen 2.611 N/A LEU 76.A N ASP 72.A O no hydrogen 2.943 N/A ARG 77.A N PRO 73.A O no hydrogen 2.877 N/A ARG 77.A NH1 ASP 103.A OD1 no hydrogen 3.393 N/A THR 78.A N ALA 74.A O no hydrogen 2.834 N/A THR 78.A OG1 ALA 74.A O no hydrogen 3.219 N/A LEU 79.A N GLY 75.A O no hydrogen 2.845 N/A LEU 80.A N ARG 77.A O no hydrogen 3.146 N/A PHE 83.A N LEU 79.A O no hydrogen 2.936 N/A LEU 84.A N LEU 80.A O no hydrogen 2.882 N/A ARG 85.A N VAL 82.A O no hydrogen 3.012 N/A ARG 85.A NH1 LEU 54.A O no hydrogen 2.887 N/A ARG 85.A NH2 HIS 59.A O no hydrogen 2.776 N/A ALA 86.A N PHE 83.A O no hydrogen 3.083 N/A ARG 87.A N LEU 61.A O no hydrogen 2.863 N/A LYS 88.A N ASP 62.A O no hydrogen 3.209 N/A LEU 89.A N THR 117.A O no hydrogen 2.942 N/A GLY 90.A N VAL 64.A O no hydrogen 2.696 N/A LEU 91.A N ARG 119.A O no hydrogen 2.990 N/A GLN 92.A N GLN 92.A OE1 no hydrogen 2.860 N/A LEU 93.A N SER 121.A O no hydrogen 3.155 N/A ASN 94.A N ASN 123.A OD1 no hydrogen 2.807 N/A ASN 94.A ND2 LEU 66.A O no hydrogen 2.749 N/A ASN 94.A ND2 LEU 91.A O no hydrogen 2.968 N/A LEU 96.A N ASN 123.A OD1 no hydrogen 3.094 N/A CYS 101.A N PRO 98.A O no hydrogen 3.030 N/A CYS 101.A SG GLY 97.A O no hydrogen 3.848 N/A CYS 101.A SG GLY 129.A O no hydrogen 3.076 N/A LEU 104.A N ALA 100.A O no hydrogen 3.187 N/A ARG 105.A N CYS 101.A O no hydrogen 2.739 N/A ARG 105.A NE ASP 106.A OD1 no hydrogen 2.910 N/A ASP 106.A N LYS 102.A O no hydrogen 2.991 N/A LEU 107.A N ASP 103.A O no hydrogen 2.976 N/A LEU 108.A N LEU 104.A O no hydrogen 2.807 N/A LEU 109.A N ARG 105.A O no hydrogen 2.987 N/A HIS 110.A N LEU 107.A O no hydrogen 3.316 N/A GLN 112.A N HIS 110.A ND1 no hydrogen 3.081 N/A CYS 113.A N HIS 110.A O no hydrogen 2.847 N/A CYS 113.A SG LEU 107.A O no hydrogen 3.630 N/A CYS 113.A SG SER 142.A OG no hydrogen 3.570 N/A THR 116.A N ARG 87.A O no hydrogen 2.640 N/A THR 116.A OG1 ARG 87.A O no hydrogen 3.210 N/A THR 117.A N ARG 87.A O no hydrogen 3.335 N/A LEU 118.A N HIS 145.A O no hydrogen 2.851 N/A ARG 119.A N LEU 89.A O no hydrogen 2.988 N/A LEU 120.A N SER 147.A O no hydrogen 2.991 N/A ASN 122.A N LEU 149.A O no hydrogen 3.055 N/A ASN 123.A ND2 LEU 91.A O no hydrogen 2.956 N/A ASN 123.A ND2 LEU 120.A O no hydrogen 2.708 N/A LEU 125.A N ASN 123.A O no hydrogen 2.672 N/A THR 126.A N THR 151.A O no hydrogen 2.980 N/A VAL 130.A N THR 126.A O no hydrogen 2.926 N/A ALA 131.A N ALA 127.A O no hydrogen 2.835 N/A VAL 132.A N ALA 128.A O no hydrogen 3.287 N/A LEU 133.A N GLY 129.A O no hydrogen 2.902 N/A MET 134.A N VAL 130.A O no hydrogen 2.643 N/A GLU 135.A N ALA 131.A O no hydrogen 3.345 N/A LEU 137.A N LEU 133.A O no hydrogen 2.966 N/A ALA 138.A N MET 134.A O no hydrogen 2.786 N/A GLY 139.A N GLY 136.A O no hydrogen 3.035 N/A ASN 140.A N LEU 137.A O no hydrogen 3.246 N/A ASN 140.A ND2 LEU 108.A O no hydrogen 2.865 N/A ASN 140.A ND2 SER 142.A OG no hydrogen 3.245 N/A SER 142.A N ASN 140.A OD1 no hydrogen 2.669 N/A SER 142.A OG ILE 115.A O no hydrogen 2.908 N/A SER 142.A OG ASN 140.A OD1 no hydrogen 3.300 N/A VAL 143.A N ASN 140.A OD1 no hydrogen 2.739 N/A THR 144.A N THR 116.A O no hydrogen 2.700 N/A THR 144.A OG1 THR 116.A O no hydrogen 3.319 N/A THR 144.A OG1 HIS 145.A ND1 no hydrogen 2.736 N/A HIS 145.A N THR 116.A O no hydrogen 2.842 N/A HIS 145.A ND1 THR 144.A OG1 no hydrogen 2.736 N/A LEU 146.A N GLU 173.A O no hydrogen 3.020 N/A SER 147.A N LEU 118.A O no hydrogen 3.021 N/A LEU 148.A N ASN 175.A O no hydrogen 2.736 N/A HIS 150.A N ALA 177.A O no hydrogen 3.084 N/A THR 151.A N ASN 179.A OD1 no hydrogen 2.707 N/A THR 151.A OG1 LEU 148.A O no hydrogen 2.730 N/A THR 151.A OG1 ASN 179.A OD1 no hydrogen 3.372 N/A LEU 153.A N ASN 179.A OD1 no hydrogen 3.413 N/A GLY 154.A N ASN 179.A O no hydrogen 2.974 N/A GLY 157.A N LEU 153.A O no hydrogen 2.980 N/A LEU 158.A N GLY 154.A O no hydrogen 3.077 N/A LEU 158.A N ASP 155.A O no hydrogen 3.146 N/A GLU 159.A N ASP 155.A O no hydrogen 2.991 N/A LEU 160.A N GLU 156.A O no hydrogen 3.002 N/A LEU 161.A N GLY 157.A O no hydrogen 3.158 N/A ALA 162.A N LEU 158.A O no hydrogen 2.948 N/A ALA 163.A N GLU 159.A O no hydrogen 3.024 N/A GLN 164.A N LEU 160.A O no hydrogen 3.010 N/A GLN 164.A N LEU 161.A O no hydrogen 3.079 N/A LEU 165.A N LEU 161.A O no hydrogen 2.734 N/A ARG 167.A N GLN 164.A O no hydrogen 2.915 N/A ARG 167.A NE GLN 164.A OE1 no hydrogen 3.038 N/A ARG 167.A NH2 GLU 135.A OE1 no hydrogen 2.917 N/A ASN 168.A N LEU 165.A O no hydrogen 2.705 N/A ASN 168.A ND2 LEU 137.A O no hydrogen 3.011 N/A GLN 170.A N ASN 168.A OD1 no hydrogen 2.720 N/A GLN 170.A NE2 ASN 140.A O no hydrogen 2.938 N/A LEU 171.A N ASN 168.A OD1 no hydrogen 2.848 N/A GLN 172.A N THR 144.A O no hydrogen 2.744 N/A GLU 173.A N THR 144.A O no hydrogen 3.141 N/A LEU 174.A N LEU 201.A O no hydrogen 2.980 N/A ASN 175.A N LEU 146.A O no hydrogen 3.027 N/A VAL 176.A N HIS 203.A O no hydrogen 3.081 N/A ALA 177.A N ASN 175.A OD1 no hydrogen 2.945 N/A TYR 178.A N TYR 205.A O no hydrogen 2.944 N/A ASN 179.A N ASN 207.A OD1 no hydrogen 2.793 N/A ASN 179.A ND2 LEU 148.A O no hydrogen 3.050 N/A ASN 179.A ND2 VAL 176.A O no hydrogen 2.794 N/A ALA 181.A N ASN 207.A OD1 no hydrogen 3.087 N/A GLY 182.A N ASP 155.A OD1 no hydrogen 2.752 N/A ALA 186.A N GLY 182.A O no hydrogen 3.165 N/A LEU 187.A N ASP 183.A O no hydrogen 2.796 N/A ALA 188.A N THR 184.A O no hydrogen 2.694 N/A LEU 189.A N ALA 185.A O no hydrogen 2.982 N/A ALA 190.A N ALA 186.A O no hydrogen 2.861 N/A ARG 191.A N LEU 187.A O no hydrogen 2.835 N/A ALA 192.A N ALA 188.A O no hydrogen 2.957 N/A ALA 193.A N LEU 189.A O no hydrogen 2.880 N/A ARG 194.A N ALA 190.A O no hydrogen 3.173 N/A GLU 195.A N ARG 191.A O no hydrogen 3.178 N/A HIS 196.A N ALA 193.A O no hydrogen 2.910 N/A SER 198.A OG LEU 171.A O no hydrogen 2.763 N/A SER 198.A OG HIS 196.A NE2 no hydrogen 3.004 N/A GLU 200.A N GLN 172.A O no hydrogen 2.680 N/A LEU 201.A N GLN 172.A O no hydrogen 2.924 N/A LEU 202.A N ARG 223.A O no hydrogen 2.945 N/A HIS 203.A N LEU 174.A O no hydrogen 2.985 N/A HIS 203.A NE2 GLU 173.A OE2 no hydrogen 2.840 N/A LEU 204.A N VAL 225.A O no hydrogen 2.667 N/A ASN 207.A ND2 VAL 176.A O no hydrogen 3.276 N/A ASN 207.A ND2 LEU 204.A O no hydrogen 3.031 N/A GLU 208.A N ALA 181.A O no hydrogen 2.797 N/A SER 210.A N ASP 183.A OD1 no hydrogen 2.957 N/A SER 210.A OG ASP 183.A OD1 no hydrogen 3.453 N/A SER 210.A OG ASP 183.A OD2 no hydrogen 2.527 N/A SER 210.A OG GLU 212.A OE2 no hydrogen 3.534 N/A GLY 213.A N SER 210.A OG no hydrogen 3.015 N/A ARG 214.A N SER 210.A O no hydrogen 2.990 N/A GLN 215.A N SER 211.A O no hydrogen 3.280 N/A VAL 216.A N GLU 212.A O no hydrogen 3.092 N/A LEU 217.A N GLY 213.A O no hydrogen 3.126 N/A ARG 218.A N ARG 214.A O no hydrogen 2.828 N/A ARG 218.A NH1 GLN 215.A OE1 no hydrogen 2.798 N/A ASP 219.A N GLN 215.A O no hydrogen 2.747 N/A LEU 220.A N LEU 217.A O no hydrogen 3.157 N/A ARG 223.A N GLU 200.A O no hydrogen 2.905 N/A VAL 225.A N LEU 202.A O no hydrogen 2.853 N/A SER 227.A OG THR 229.A O no hydrogen 2.845 N/A SER 227.A OG THR 229.A OG1 no hydrogen 3.318 N/A THR 229.A N SER 227.A OG no hydrogen 2.851 N/A THR 229.A OG1 SER 227.A OG no hydrogen 3.318 N/A SER 231.A OG GLN 279.A OE1 no hydrogen 2.535 N/A TRP 234.A N VAL 230.A O no hydrogen 3.321 N/A SER 235.A N SER 231.A O no hydrogen 3.188 N/A SER 235.A OG GLU 232.A OE1 no hydrogen 2.913 N/A VAL 236.A N GLU 232.A O no hydrogen 3.175 N/A ILE 237.A N TYR 233.A O no hydrogen 3.429 N/A LEU 238.A N TRP 234.A O no hydrogen 2.678 N/A SER 239.A N SER 235.A O no hydrogen 2.738 N/A GLU 240.A N VAL 236.A O no hydrogen 3.062 N/A GLU 240.A N ILE 237.A O no hydrogen 2.844 N/A VAL 241.A N ILE 237.A O no hydrogen 3.210 N/A GLN 242.A N LEU 238.A O no hydrogen 2.684 N/A GLN 242.A NE2 GLN 242.A O no hydrogen 3.345 N/A GLN 242.A NE2 GLN 293.A OE1 no hydrogen 2.891 N/A ARG 243.A N GLU 240.A O no hydrogen 3.080 N/A ARG 243.A NH2 ASN 122.A OD1 no hydrogen 3.455 N/A ASN 244.A N VAL 241.A O no hydrogen 3.014 N/A ARG 252.A NE ASP 249.A OD2 no hydrogen 3.367 N/A VAL 253.A N ASP 249.A O no hydrogen 3.203 N/A GLN 254.A N ARG 250.A O no hydrogen 2.803 N/A ARG 255.A N ALA 251.A O no hydrogen 3.063 N/A HIS 256.A N ARG 252.A O no hydrogen 3.070 N/A LEU 257.A N VAL 253.A O no hydrogen 2.863 N/A GLU 258.A N GLN 254.A O no hydrogen 2.970 N/A LEU 259.A N ARG 255.A O no hydrogen 2.933 N/A LEU 260.A N HIS 256.A O no hydrogen 2.896 N/A LEU 261.A N LEU 257.A O no hydrogen 2.673 N/A ARG 262.A N GLU 258.A O no hydrogen 3.092 N/A ARG 262.A NH1 GLU 265.A OE1 no hydrogen 3.138 N/A ARG 262.A NH1 ASP 266.A OD1 no hydrogen 2.811 N/A ASP 263.A N LEU 259.A O no hydrogen 2.855 N/A LEU 264.A N LEU 260.A O no hydrogen 2.882 N/A GLU 265.A N LEU 261.A O no hydrogen 3.003 N/A ASP 266.A N ARG 262.A O no hydrogen 3.179 N/A SER 267.A N ASP 263.A O no hydrogen 2.973 N/A SER 267.A OG ASP 263.A O no hydrogen 3.218 N/A ARG 268.A N LEU 264.A O no hydrogen 2.756 N/A ARG 268.A NE GLU 284.A OE2 no hydrogen 3.043 N/A ARG 268.A NH2 GLU 284.A OE1 no hydrogen 3.440 N/A ARG 268.A NH2 GLU 284.A OE2 no hydrogen 3.377 N/A GLY 269.A N GLU 265.A O no hydrogen 3.016 N/A ALA 270.A N SER 267.A O no hydrogen 3.313 N/A ARG 276.A N ASN 273.A OD1 no hydrogen 3.068 N/A LYS 277.A N ASN 273.A O no hydrogen 3.122 N/A LYS 277.A NZ ARG 268.A O no hydrogen 3.022 N/A LYS 277.A NZ THR 271.A O no hydrogen 3.335 N/A ALA 278.A N PRO 274.A O no hydrogen 3.213 N/A GLN 279.A N TRP 275.A O no hydrogen 2.895 N/A LEU 280.A N ARG 276.A O no hydrogen 2.895 N/A LEU 281.A N LYS 277.A O no hydrogen 2.706 N/A ARG 282.A N ALA 278.A O no hydrogen 3.100 N/A ARG 282.A NH1 GLU 173.A OE2 no hydrogen 3.335 N/A ARG 282.A NH2 GLU 173.A OE1 no hydrogen 2.631 N/A VAL 283.A N LEU 280.A O no hydrogen 3.010 N/A GLU 284.A N LEU 280.A O no hydrogen 3.132 N/A GLY 285.A N LEU 281.A O no hydrogen 3.183 N/A GLU 286.A N ARG 282.A O no hydrogen 3.251 N/A VAL 287.A N VAL 283.A O no hydrogen 2.863 N/A ARG 288.A N GLU 284.A O no hydrogen 2.738 N/A ALA 289.A N GLY 285.A O no hydrogen 2.864 N/A LEU 290.A N GLU 286.A O no hydrogen 3.173 N/A LEU 291.A N VAL 287.A O no hydrogen 2.845 N/A GLU 292.A N ARG 288.A O no hydrogen 3.070 N/A GLN 293.A N ALA 289.A O no hydrogen 3.247 N/A GLN 293.A NE2 ALA 289.A O no hydrogen 3.689 N/A LEU 294.A N LEU 290.A O no hydrogen 3.012 N/A LEU 294.A N LEU 291.A O no hydrogen 3.083 N/A