Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3aq0_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N ASP 2.A OD1 no hydrogen 3.201 N/A LEU 6.A N ASP 2.A O no hydrogen 2.666 N/A VAL 7.A N PHE 4.A O no hydrogen 3.466 N/A LEU 11.A N VAL 7.A O no hydrogen 3.261 N/A SER 12.A N ALA 8.A O no hydrogen 3.349 N/A LEU 13.A N ASP 9.A O no hydrogen 3.035 N/A LEU 14.A N GLU 10.A O no hydrogen 2.888 N/A SER 15.A N LEU 11.A O no hydrogen 2.793 N/A ASN 16.A N SER 12.A O no hydrogen 3.028 N/A ASN 16.A ND2 SER 12.A O no hydrogen 2.945 N/A LYS 17.A N LEU 13.A O no hydrogen 2.920 N/A LEU 18.A N LEU 14.A O no hydrogen 2.797 N/A ARG 19.A N ASN 16.A O no hydrogen 3.166 N/A MET 21.A N LYS 17.A O no hydrogen 3.054 N/A LEU 23.A N GLU 20.A O no hydrogen 2.837 N/A ALA 30.A N VAL 26.A O no hydrogen 3.102 N/A SER 31.A N PRO 27.A O no hydrogen 2.929 N/A SER 31.A OG PRO 27.A O no hydrogen 3.507 N/A ALA 32.A N LYS 28.A O no hydrogen 3.364 N/A ALA 33.A N LEU 29.A O no hydrogen 2.965 N/A GLU 34.A N ALA 30.A O no hydrogen 2.885 N/A TYR 35.A N SER 31.A O no hydrogen 3.172 N/A TYR 35.A OH GLY 98.A O no hydrogen 2.572 N/A PHE 37.A N GLU 34.A O no hydrogen 2.740 N/A VAL 41.A N LYS 38.A O no hydrogen 3.095 N/A GLN 42.A N GLN 42.A OE1 no hydrogen 2.630 N/A SER 48.A OG GLU 75.A OE1 no hydrogen 2.583 N/A THR 49.A N GLN 45.A O no hydrogen 2.944 N/A THR 49.A OG1 GLN 45.A O no hydrogen 3.117 N/A ILE 50.A N PHE 46.A O no hydrogen 2.989 N/A LEU 51.A N ARG 47.A O no hydrogen 2.954 N/A LEU 52.A N SER 48.A O no hydrogen 2.867 N/A LEU 53.A N THR 49.A O no hydrogen 3.092 N/A MET 54.A N ILE 50.A O no hydrogen 2.836 N/A ALA 55.A N LEU 51.A O no hydrogen 2.775 N/A THR 56.A N LEU 52.A O no hydrogen 3.183 N/A THR 56.A OG1 LEU 52.A O no hydrogen 3.168 N/A ALA 57.A N LEU 53.A O no hydrogen 2.881 N/A LEU 58.A N MET 54.A O no hydrogen 3.017 N/A ARG 64.A NH1 GLU 10.A OE1 no hydrogen 3.170 N/A ARG 66.A NH1 LEU 127.A O no hydrogen 3.370 N/A ARG 66.A NH2 LEU 127.A O no hydrogen 2.464 N/A GLN 67.A N LEU 63.A O no hydrogen 3.156 N/A GLN 67.A NE2 ALA 55.A O no hydrogen 3.681 N/A ARG 68.A N ARG 64.A O no hydrogen 2.705 N/A ARG 68.A NE GLU 10.A OE2 no hydrogen 3.105 N/A GLY 69.A N VAL 65.A O no hydrogen 3.064 N/A ILE 70.A N ARG 66.A O no hydrogen 3.335 N/A GLU 72.A N ARG 68.A O no hydrogen 2.934 N/A ILE 73.A N GLY 69.A O no hydrogen 2.753 N/A THR 74.A N ILE 70.A O no hydrogen 2.913 N/A THR 74.A OG1 ILE 70.A O no hydrogen 2.640 N/A GLU 75.A N ALA 71.A O no hydrogen 2.935 N/A MET 76.A N GLU 72.A O no hydrogen 2.819 N/A ILE 77.A N ILE 73.A O no hydrogen 2.718 N/A HIS 78.A N THR 74.A O no hydrogen 2.788 N/A VAL 79.A N GLU 75.A O no hydrogen 2.849 N/A ALA 80.A N MET 76.A O no hydrogen 3.028 N/A SER 81.A N ILE 77.A O no hydrogen 3.124 N/A SER 81.A OG ILE 77.A O no hydrogen 3.258 N/A SER 81.A OG HIS 78.A O no hydrogen 2.806 N/A LEU 82.A N HIS 78.A O no hydrogen 3.261 N/A LEU 83.A N VAL 79.A O no hydrogen 3.041 N/A HIS 84.A N ALA 80.A O no hydrogen 3.179 N/A HIS 84.A NE2 VAL 110.A O no hydrogen 3.144 N/A ASP 85.A N SER 81.A O no hydrogen 2.487 N/A ASP 86.A N LEU 82.A O no hydrogen 2.757 N/A VAL 87.A N HIS 84.A O no hydrogen 3.182 N/A LEU 88.A N HIS 84.A O no hydrogen 3.202 N/A ALA 91.A N ASP 86.A O no hydrogen 2.947 N/A ARG 94.A N VAL 97.A O no hydrogen 2.827 N/A ARG 94.A NH1 ASP 86.A OD1 no hydrogen 2.344 N/A ARG 95.A NH1 VAL 41.A O no hydrogen 3.156 N/A VAL 97.A N ARG 94.A O no hydrogen 2.830 N/A SER 99.A N ASP 92.A O no hydrogen 2.956 N/A VAL 103.A N SER 99.A O no hydrogen 2.994 N/A MET 104.A N LEU 100.A O no hydrogen 2.698 N/A GLY 105.A N LEU 100.A O no hydrogen 3.153 N/A SER 109.A N GLY 105.A O no hydrogen 3.373 N/A SER 109.A OG GLY 105.A O no hydrogen 2.440 N/A VAL 110.A N ASN 106.A O no hydrogen 3.072 N/A LEU 111.A N LYS 107.A O no hydrogen 3.002 N/A ALA 112.A N MET 108.A O no hydrogen 2.868 N/A GLY 113.A N SER 109.A O no hydrogen 3.081 N/A ASP 114.A N VAL 110.A O no hydrogen 3.097 N/A PHE 115.A N LEU 111.A O no hydrogen 2.846 N/A LEU 116.A N ALA 112.A O no hydrogen 2.829 N/A LEU 117.A N GLY 113.A O no hydrogen 2.886 N/A SER 118.A N ASP 114.A O no hydrogen 2.932 N/A SER 118.A OG ASP 114.A O no hydrogen 3.430 N/A SER 118.A OG PHE 115.A O no hydrogen 2.700 N/A ARG 119.A N PHE 115.A O no hydrogen 2.969 N/A ARG 119.A NH1 MET 21.A O no hydrogen 3.017 N/A ARG 119.A NH1 LEU 23.A O no hydrogen 2.836 N/A ARG 119.A NH2 LEU 23.A O no hydrogen 3.286 N/A ALA 120.A N LEU 116.A O no hydrogen 2.931 N/A CYS 121.A N LEU 117.A O no hydrogen 2.916 N/A CYS 121.A SG LEU 117.A O no hydrogen 3.520 N/A GLY 122.A N SER 118.A O no hydrogen 2.827 N/A ALA 123.A N ARG 119.A O no hydrogen 2.888 N/A LEU 124.A N ALA 120.A O no hydrogen 2.877 N/A ALA 125.A N CYS 121.A O no hydrogen 2.777 N/A ALA 126.A N GLY 122.A O no hydrogen 3.003 N/A LEU 127.A N ALA 123.A O no hydrogen 3.284 N/A LYS 128.A N ALA 125.A O no hydrogen 2.889 N/A VAL 132.A N ASN 129.A OD1 no hydrogen 3.031 N/A VAL 133.A N ASN 129.A O no hydrogen 3.167 N/A ALA 134.A N THR 130.A O no hydrogen 3.161 N/A LEU 135.A N GLU 131.A O no hydrogen 2.930 N/A LEU 136.A N VAL 132.A O no hydrogen 3.110 N/A ALA 137.A N VAL 133.A O no hydrogen 2.890 N/A THR 138.A N ALA 134.A O no hydrogen 3.023 N/A THR 138.A OG1 ALA 134.A O no hydrogen 2.677 N/A ALA 139.A N LEU 135.A O no hydrogen 3.285 N/A VAL 140.A N LEU 136.A O no hydrogen 3.106 N/A GLU 141.A N ALA 137.A O no hydrogen 2.944 N/A HIS 142.A N THR 138.A O no hydrogen 2.825 N/A HIS 142.A ND1 SER 174.A OG no hydrogen 2.564 N/A LEU 143.A N ALA 139.A O no hydrogen 3.026 N/A VAL 144.A N VAL 140.A O no hydrogen 3.264 N/A THR 145.A N GLU 141.A O no hydrogen 3.013 N/A THR 145.A OG1 GLU 141.A O no hydrogen 2.996 N/A GLY 146.A N HIS 142.A O no hydrogen 2.765 N/A GLU 147.A N LEU 143.A O no hydrogen 2.883 N/A THR 148.A N VAL 144.A O no hydrogen 3.049 N/A THR 148.A OG1 VAL 144.A O no hydrogen 2.708 N/A MET 149.A N THR 145.A O no hydrogen 3.006 N/A GLU 150.A N GLY 146.A O no hydrogen 3.294 N/A ILE 151.A N THR 148.A O no hydrogen 3.083 N/A THR 152.A N THR 148.A O no hydrogen 2.671 N/A SER 153.A OG MET 149.A O no hydrogen 3.204 N/A THR 155.A OG1 ASP 256.A OD1 no hydrogen 3.569 N/A ARG 158.A N SER 154.A O no hydrogen 3.393 N/A TYR 163.A N SER 160.A OG no hydrogen 3.343 N/A TYR 163.A OH MET 149.A O no hydrogen 2.846 N/A TYR 164.A N SER 160.A O no hydrogen 3.208 N/A TYR 164.A OH ASP 213.A OD1 no hydrogen 2.376 N/A MET 165.A N MET 161.A O no hydrogen 2.935 N/A GLN 166.A N ASP 162.A O no hydrogen 3.109 N/A LYS 167.A N TYR 163.A O no hydrogen 2.873 N/A LYS 167.A NZ GLU 150.A OE1 no hydrogen 2.933 N/A THR 168.A N TYR 164.A O no hydrogen 2.890 N/A THR 168.A OG1 TYR 164.A O no hydrogen 2.463 N/A TYR 169.A N MET 165.A O no hydrogen 3.155 N/A TYR 170.A N GLN 166.A O no hydrogen 2.937 N/A LYS 171.A N LYS 167.A O no hydrogen 2.794 N/A LYS 171.A NZ GLU 150.A OE1 no hydrogen 3.278 N/A LYS 171.A NZ GLU 150.A OE2 no hydrogen 2.526 N/A THR 172.A N THR 168.A O no hydrogen 2.853 N/A ALA 173.A N THR 168.A O no hydrogen 3.275 N/A SER 174.A N TYR 169.A O no hydrogen 2.803 N/A SER 174.A OG HIS 142.A ND1 no hydrogen 2.564 N/A SER 177.A N ALA 173.A O no hydrogen 2.848 N/A SER 177.A OG ALA 173.A O no hydrogen 2.856 N/A SER 177.A OG SER 174.A O no hydrogen 3.084 N/A ASN 178.A N SER 174.A O no hydrogen 2.930 N/A ASN 178.A ND2 SER 174.A O no hydrogen 2.945 N/A SER 179.A N LEU 175.A O no hydrogen 3.213 N/A SER 179.A OG LEU 175.A O no hydrogen 2.610 N/A SER 179.A OG ILE 176.A O no hydrogen 3.199 N/A CYS 180.A N ILE 176.A O no hydrogen 2.915 N/A CYS 180.A SG ILE 176.A O no hydrogen 3.284 N/A LYS 181.A N SER 177.A O no hydrogen 2.811 N/A ALA 182.A N ASN 178.A O no hydrogen 2.798 N/A VAL 183.A N SER 179.A O no hydrogen 3.020 N/A ALA 184.A N CYS 180.A O no hydrogen 3.358 N/A VAL 185.A N LYS 181.A O no hydrogen 2.863 N/A LEU 186.A N ALA 182.A O no hydrogen 2.914 N/A THR 187.A N ALA 184.A O no hydrogen 3.264 N/A THR 187.A OG1 ALA 184.A O no hydrogen 2.858 N/A GLY 188.A N VAL 185.A O no hydrogen 2.857 N/A VAL 193.A N THR 190.A O no hydrogen 3.151 N/A VAL 193.A N THR 190.A OG1 no hydrogen 3.395 N/A ALA 194.A N THR 190.A O no hydrogen 3.297 N/A VAL 195.A N ALA 191.A O no hydrogen 3.250 N/A LEU 196.A N GLU 192.A O no hydrogen 3.155 N/A ALA 197.A N VAL 193.A O no hydrogen 3.042 N/A PHE 198.A N ALA 194.A O no hydrogen 2.915 N/A GLU 199.A N VAL 195.A O no hydrogen 2.764 N/A TYR 200.A N LEU 196.A O no hydrogen 3.076 N/A TYR 200.A OH LEU 314.A O no hydrogen 2.611 N/A GLY 201.A N ALA 197.A O no hydrogen 3.253 N/A ARG 202.A N PHE 198.A O no hydrogen 2.940 N/A ASN 203.A N GLU 199.A O no hydrogen 2.962 N/A ASN 203.A ND2 GLU 199.A O no hydrogen 2.796 N/A LEU 204.A N TYR 200.A O no hydrogen 2.965 N/A GLY 205.A N GLY 201.A O no hydrogen 3.016 N/A LEU 206.A N ARG 202.A O no hydrogen 3.046 N/A ALA 207.A N ASN 203.A O no hydrogen 2.893 N/A PHE 208.A N LEU 204.A O no hydrogen 2.817 N/A GLN 209.A N GLY 205.A O no hydrogen 3.207 N/A GLN 209.A NE2 ASP 213.A OD2 no hydrogen 2.603 N/A LEU 210.A N LEU 206.A O no hydrogen 3.163 N/A ILE 211.A N ALA 207.A O no hydrogen 3.253 N/A ASP 212.A N PHE 208.A O no hydrogen 3.040 N/A ASP 213.A N GLN 209.A O no hydrogen 2.970 N/A ILE 214.A N LEU 210.A O no hydrogen 3.169 N/A LEU 215.A N ILE 211.A O no hydrogen 2.989 N/A ASP 216.A N ASP 212.A O no hydrogen 3.298 N/A PHE 217.A N ILE 214.A O no hydrogen 2.897 N/A THR 218.A N ILE 214.A O no hydrogen 2.871 N/A THR 218.A OG1 GLY 219.A O no hydrogen 3.232 N/A GLY 219.A N LEU 215.A O no hydrogen 2.829 N/A GLY 225.A N PHE 217.A O no hydrogen 3.237 N/A SER 228.A OG ASP 216.A OD1 no hydrogen 2.933 N/A SER 228.A OG SER 230.A OG no hydrogen 2.730 N/A LEU 229.A N ASP 216.A O no hydrogen 2.891 N/A SER 230.A N ASP 216.A OD1 no hydrogen 2.854 N/A SER 230.A N SER 228.A OG no hydrogen 3.194 N/A SER 230.A OG ASP 216.A OD1 no hydrogen 2.745 N/A SER 230.A OG SER 228.A OG no hydrogen 2.730 N/A ASP 231.A N ASP 216.A OD2 no hydrogen 2.822 N/A ARG 233.A N LEU 229.A O no hydrogen 2.981 N/A HIS 234.A N SER 230.A O no hydrogen 3.324 N/A HIS 234.A N ASP 231.A O no hydrogen 3.208 N/A GLY 235.A N ILE 232.A O no hydrogen 3.291 N/A VAL 236.A N ASP 231.A O no hydrogen 2.642 N/A LEU 242.A N THR 238.A O no hydrogen 3.195 N/A PHE 243.A N ALA 239.A O no hydrogen 2.923 N/A ALA 244.A N PRO 240.A O no hydrogen 3.082 N/A MET 245.A N ILE 241.A O no hydrogen 3.034 N/A GLU 246.A N PHE 243.A O no hydrogen 2.980 N/A GLU 247.A N ALA 244.A O no hydrogen 2.852 N/A PHE 248.A N ALA 244.A O no hydrogen 2.784 N/A GLN 250.A N GLN 250.A OE1 no hydrogen 2.881 N/A LEU 251.A N PHE 248.A O no hydrogen 2.963 N/A ARG 252.A N PRO 249.A O no hydrogen 2.961 N/A GLU 253.A N GLU 253.A OE2 no hydrogen 2.326 N/A VAL 255.A N LEU 251.A O no hydrogen 2.927 N/A ASP 256.A N ARG 252.A O no hydrogen 2.856 N/A GLN 257.A N GLU 253.A O no hydrogen 3.188 N/A ASP 261.A N GLN 257.A O no hydrogen 3.169 N/A ARG 263.A NE ASP 261.A OD1 no hydrogen 3.349 N/A ARG 263.A NH2 ASP 261.A OD2 no hydrogen 3.385 N/A ASN 264.A N ASP 261.A O no hydrogen 2.811 N/A ASN 264.A ND2 GLN 257.A O no hydrogen 3.502 N/A ASN 264.A ND2 ASP 261.A O no hydrogen 3.614 N/A ILE 267.A N ARG 263.A O no hydrogen 3.429 N/A ALA 268.A N ASN 264.A O no hydrogen 3.104 N/A LEU 269.A N VAL 265.A O no hydrogen 3.146 N/A GLU 270.A N ASP 266.A O no hydrogen 3.206 N/A TYR 271.A N ILE 267.A O no hydrogen 3.109 N/A LEU 272.A N ALA 268.A O no hydrogen 2.793 N/A GLY 273.A N LEU 269.A O no hydrogen 2.792 N/A LYS 274.A N GLU 270.A O no hydrogen 3.185 N/A SER 275.A N TYR 271.A O no hydrogen 3.106 N/A SER 275.A N LEU 272.A O no hydrogen 3.094 N/A SER 275.A OG LEU 272.A O no hydrogen 3.083 N/A LYS 276.A N GLU 247.A OE2 no hydrogen 2.574 N/A GLY 277.A N SER 275.A OG no hydrogen 2.677 N/A GLN 279.A N GLN 279.A OE1 no hydrogen 2.712 N/A ARG 280.A N LYS 276.A O no hydrogen 2.873 N/A ARG 280.A NH2 GLU 246.A OE2 no hydrogen 2.422 N/A ALA 281.A N GLY 277.A O no hydrogen 3.078 N/A ARG 282.A N ILE 278.A O no hydrogen 2.990 N/A GLU 283.A N GLN 279.A O no hydrogen 2.843 N/A LEU 284.A N ARG 280.A O no hydrogen 2.759 N/A ALA 285.A N ALA 281.A O no hydrogen 3.048 N/A MET 286.A N ARG 282.A O no hydrogen 2.837 N/A GLU 287.A N GLU 283.A O no hydrogen 3.213 N/A GLU 287.A N LEU 284.A O no hydrogen 3.025 N/A HIS 288.A N LEU 284.A O no hydrogen 3.069 N/A HIS 288.A ND1 ASN 203.A OD1 no hydrogen 3.166 N/A ALA 289.A N ALA 285.A O no hydrogen 2.867 N/A ASN 290.A N MET 286.A O no hydrogen 3.211 N/A LEU 291.A N GLU 287.A O no hydrogen 3.284 N/A ALA 292.A N HIS 288.A O no hydrogen 3.035 N/A ALA 293.A N ALA 289.A O no hydrogen 3.166 N/A ALA 294.A N ASN 290.A O no hydrogen 2.847 N/A ALA 295.A N LEU 291.A O no hydrogen 2.950 N/A ILE 296.A N ALA 292.A O no hydrogen 3.320 N/A GLY 297.A N ALA 293.A O no hydrogen 3.014 N/A SER 298.A N ALA 294.A O no hydrogen 3.190 N/A SER 298.A N ALA 295.A O no hydrogen 3.055 N/A SER 298.A OG ALA 294.A O no hydrogen 2.797 N/A LEU 299.A N ILE 296.A O no hydrogen 3.285 N/A ASP 306.A N ASN 304.A OD1 no hydrogen 2.731 N/A LYS 308.A N ASN 304.A O no hydrogen 3.235 N/A ARG 309.A N GLU 305.A O no hydrogen 2.945 N/A ARG 309.A NH2 ASP 306.A OD2 no hydrogen 3.412 N/A SER 310.A N VAL 307.A O no hydrogen 3.015 N/A SER 310.A OG LEU 53.A O no hydrogen 2.953 N/A ARG 311.A N VAL 307.A O no hydrogen 2.777 N/A ARG 311.A NE ALA 57.A O no hydrogen 3.062 N/A ARG 311.A NH1 PRO 300.A O no hydrogen 2.785 N/A ARG 311.A NH2 ALA 57.A O no hydrogen 3.416 N/A ARG 311.A NH2 PRO 300.A O no hydrogen 2.853 N/A ARG 312.A N LYS 308.A O no hydrogen 2.774 N/A ALA 313.A N ARG 309.A O no hydrogen 3.324 N/A LEU 314.A N SER 310.A O no hydrogen 3.235 N/A ILE 315.A N ARG 311.A O no hydrogen 3.230 N/A ASP 316.A N ARG 312.A O no hydrogen 2.821 N/A LEU 317.A N ALA 313.A O no hydrogen 2.965 N/A THR 318.A N LEU 314.A O no hydrogen 3.291 N/A THR 318.A OG1 ALA 289.A O no hydrogen 3.368 N/A HIS 319.A N ILE 315.A O no hydrogen 3.283 N/A ARG 320.A N ASP 316.A O no hydrogen 2.869 N/A ARG 320.A NE ASP 316.A OD2 no hydrogen 3.033 N/A VAL 321.A N LEU 317.A O no hydrogen 2.808 N/A ILE 322.A N HIS 319.A O no hydrogen 3.079 N/A THR 323.A N HIS 319.A O no hydrogen 2.895 N/A THR 323.A OG1 HIS 319.A O no hydrogen 3.374 N/A ARG 324.A N ARG 320.A O no hydrogen 2.745 N/A ARG 324.A NH1 PHE 208.A O no hydrogen 3.170 N/A ARG 324.A NH2 ASP 212.A OD1 no hydrogen 2.641 N/A ARG 324.A NH2 LYS 326.A O no hydrogen 3.323 N/A LYS 326.A NZ THR 220.A OG1 no hydrogen 2.810 N/A