Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a8x_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 5.A N ASP 8.A OD2 no hydrogen 2.726 N/A ASP 8.A N GLY 5.A O no hydrogen 2.999 N/A PHE 9.A N LEU 6.A O no hydrogen 3.012 N/A ASP 10.A N ARG 27.A O no hydrogen 2.782 N/A LEU 12.A N LEU 25.A O no hydrogen 2.733 N/A ARG 13.A N LEU 25.A O no hydrogen 3.313 N/A ARG 13.A NH1 GLU 293.A OE1 no hydrogen 3.309 N/A ARG 13.A NH2 LEU 12.A O no hydrogen 2.922 N/A ILE 15.A N VAL 23.A O no hydrogen 2.678 N/A GLY 16.A N VAL 23.A O no hydrogen 3.223 N/A ARG 17.A NE GLU 306.A OE2 no hydrogen 3.051 N/A ARG 17.A NH2 GLU 306.A OE1 no hydrogen 2.916 N/A GLY 18.A N ALA 21.A O no hydrogen 3.007 N/A TYR 20.A OH GLU 57.A OE1 no hydrogen 3.142 N/A LYS 22.A N VAL 39.A O no hydrogen 3.018 N/A LYS 22.A NZ GLN 309.A O no hydrogen 2.626 N/A VAL 23.A N GLY 16.A O no hydrogen 2.784 N/A LEU 24.A N MET 37.A O no hydrogen 2.973 N/A LEU 25.A N ARG 13.A O no hydrogen 2.777 N/A VAL 26.A N TYR 35.A O no hydrogen 2.877 N/A ARG 27.A N ASP 10.A O no hydrogen 2.884 N/A ARG 27.A NE ASP 10.A OD2 no hydrogen 3.140 N/A ARG 27.A NH2 ASP 10.A OD2 no hydrogen 2.810 N/A LEU 28.A N ARG 33.A O no hydrogen 2.909 N/A LYS 29.A N ASP 8.A O no hydrogen 2.935 N/A LYS 29.A NZ GLN 7.A O no hydrogen 2.552 N/A LYS 30.A NZ ASP 8.A OD1 no hydrogen 3.411 N/A THR 31.A N LEU 28.A O no hydrogen 3.257 N/A ASP 32.A N LEU 28.A O no hydrogen 2.721 N/A ARG 33.A N THR 31.A OG1 no hydrogen 3.314 N/A TYR 35.A N VAL 26.A O no hydrogen 3.075 N/A ALA 36.A N ILE 87.A O no hydrogen 2.843 N/A MET 37.A N LEU 24.A O no hydrogen 2.727 N/A LYS 38.A N PHE 85.A O no hydrogen 2.743 N/A LYS 38.A NZ TYR 20.A OH no hydrogen 2.921 N/A LYS 38.A NZ GLU 57.A OE2 no hydrogen 2.575 N/A VAL 39.A N LYS 22.A O no hydrogen 2.795 N/A VAL 40.A N LEU 83.A O no hydrogen 2.847 N/A LYS 42.A N SER 81.A O no hydrogen 2.758 N/A LYS 42.A NZ GLN 78.A OE1 no hydrogen 2.679 N/A LYS 42.A NZ THR 79.A O no hydrogen 2.640 N/A LYS 42.A NZ GLU 80.A O no hydrogen 3.462 N/A LYS 42.A NZ GLN 322.A OE1 no hydrogen 2.770 N/A LEU 44.A N LYS 41.A O no hydrogen 2.841 N/A VAL 45.A N LYS 42.A O no hydrogen 2.943 N/A ASP 47.A N ASP 50.A OD2 no hydrogen 3.277 N/A GLU 49.A N ASP 48.A OD2 no hydrogen 2.615 N/A ILE 51.A N ASP 47.A O no hydrogen 3.365 N/A TRP 53.A N GLU 49.A O no hydrogen 3.222 N/A TRP 53.A NE1 GLY 153.A O no hydrogen 2.536 N/A VAL 54.A N ASP 50.A O no hydrogen 2.829 N/A GLN 55.A N ILE 51.A O no hydrogen 3.008 N/A THR 56.A N ASP 52.A O no hydrogen 2.971 N/A THR 56.A OG1 ASP 52.A O no hydrogen 2.959 N/A GLU 57.A N TRP 53.A O no hydrogen 3.178 N/A LYS 58.A N VAL 54.A O no hydrogen 3.047 N/A LYS 58.A NZ PHE 328.A O no hydrogen 2.537 N/A HIS 59.A N GLN 55.A O no hydrogen 2.865 N/A HIS 59.A ND1 GLU 157.A OE2 no hydrogen 2.972 N/A VAL 60.A N THR 56.A O no hydrogen 2.801 N/A PHE 61.A N GLU 57.A O no hydrogen 2.975 N/A GLU 62.A N LYS 58.A O no hydrogen 3.234 N/A GLN 63.A N HIS 59.A O no hydrogen 3.015 N/A ALA 64.A N VAL 60.A O no hydrogen 2.590 N/A HIS 67.A N ALA 64.A O no hydrogen 3.269 N/A PHE 69.A N HIS 67.A ND1 no hydrogen 3.178 N/A LEU 70.A N HIS 67.A O no hydrogen 3.374 N/A VAL 71.A N LEU 149.A O no hydrogen 3.246 N/A GLY 72.A N GLU 88.A OE1 no hydrogen 3.081 N/A HIS 74.A N VAL 86.A O no hydrogen 2.660 N/A HIS 74.A ND1 SER 75.A OG no hydrogen 2.867 N/A SER 75.A N VAL 86.A O no hydrogen 3.267 N/A SER 75.A OG HIS 74.A ND1 no hydrogen 2.867 N/A CYS 76.A N TYR 330.A O no hydrogen 2.821 N/A PHE 77.A N PHE 84.A O no hydrogen 3.197 N/A GLN 78.A NE2 PHE 325.A O no hydrogen 3.094 N/A GLN 78.A NE2 GLU 329.A OE2 no hydrogen 2.969 N/A THR 79.A N ARG 82.A O no hydrogen 2.914 N/A SER 81.A OG ASP 312.A OD1 no hydrogen 2.867 N/A SER 81.A OG ASP 312.A OD2 no hydrogen 3.331 N/A ARG 82.A N THR 79.A OG1 no hydrogen 3.259 N/A ARG 82.A NH2 ASP 312.A OD1 no hydrogen 3.137 N/A LEU 83.A N VAL 40.A O no hydrogen 2.746 N/A PHE 84.A N PHE 77.A O no hydrogen 2.954 N/A PHE 85.A N LYS 38.A O no hydrogen 2.851 N/A VAL 86.A N SER 75.A O no hydrogen 2.788 N/A ILE 87.A N ALA 36.A O no hydrogen 2.871 N/A GLU 88.A N GLY 72.A O no hydrogen 3.084 N/A TYR 89.A OH PHE 294.A O no hydrogen 2.605 N/A ASN 91.A ND2 PHE 294.A O no hydrogen 2.931 N/A GLY 92.A N LEU 141.A O no hydrogen 2.721 N/A LEU 95.A N VAL 139.A O no hydrogen 2.909 N/A PHE 97.A N ASP 94.A OD2 no hydrogen 2.877 N/A HIS 98.A N ASP 94.A O no hydrogen 2.994 N/A MET 99.A N LEU 95.A O no hydrogen 2.841 N/A GLN 100.A N MET 96.A O no hydrogen 2.955 N/A ARG 101.A N PHE 97.A O no hydrogen 3.106 N/A GLN 102.A N HIS 98.A O no hydrogen 2.788 N/A ARG 103.A N MET 99.A O no hydrogen 2.773 N/A ARG 103.A NH2 GLN 100.A O no hydrogen 2.738 N/A LEU 105.A N MET 200.A O no hydrogen 2.943 N/A ALA 110.A N PRO 106.A O no hydrogen 3.077 N/A ARG 111.A N GLU 107.A O no hydrogen 2.834 N/A ARG 111.A NE PHE 268.A O no hydrogen 2.609 N/A ARG 111.A NH1 GLU 108.A OE1 no hydrogen 2.813 N/A ARG 111.A NH2 PHE 268.A O no hydrogen 3.288 N/A PHE 112.A N GLU 108.A O no hydrogen 3.159 N/A TYR 113.A N HIS 109.A O no hydrogen 3.122 N/A SER 114.A N ALA 110.A O no hydrogen 2.887 N/A SER 114.A OG ALA 110.A O no hydrogen 2.435 N/A ALA 115.A N ARG 111.A O no hydrogen 2.832 N/A GLU 116.A N PHE 112.A O no hydrogen 3.145 N/A ILE 117.A N TYR 113.A O no hydrogen 2.920 N/A SER 118.A N SER 114.A O no hydrogen 2.839 N/A SER 118.A OG SER 114.A O no hydrogen 2.651 N/A LEU 119.A N ALA 115.A O no hydrogen 3.065 N/A ALA 120.A N GLU 116.A O no hydrogen 3.054 N/A LEU 121.A N ILE 117.A O no hydrogen 2.835 N/A ASN 122.A N SER 118.A O no hydrogen 2.940 N/A TYR 123.A N LEU 119.A O no hydrogen 3.061 N/A TYR 123.A OH GLN 63.A O no hydrogen 3.051 N/A LEU 124.A N ALA 120.A O no hydrogen 3.077 N/A HIS 125.A N LEU 121.A O no hydrogen 2.878 N/A HIS 125.A NE2 ASP 189.A OD2 no hydrogen 2.651 N/A GLU 126.A N ASN 122.A O no hydrogen 2.860 N/A ARG 127.A N LEU 124.A O no hydrogen 2.809 N/A GLY 128.A N HIS 125.A O no hydrogen 3.033 N/A ILE 129.A N LEU 124.A O no hydrogen 2.994 N/A ILE 130.A N LYS 156.A O no hydrogen 2.757 N/A TYR 131.A N ASP 189.A OD2 no hydrogen 2.952 N/A TYR 131.A OH THR 150.A O no hydrogen 2.497 N/A ARG 132.A N ASP 189.A OD1 no hydrogen 2.896 N/A ARG 132.A NE MET 154.A O no hydrogen 2.683 N/A ARG 132.A NH1 TYR 184.A OH no hydrogen 3.003 N/A ARG 132.A NH2 MET 154.A O no hydrogen 3.096 N/A ARG 132.A NH2 CYS 155.A O no hydrogen 3.086 N/A LYS 135.A NZ THR 170.A OG1 no hydrogen 3.099 N/A LEU 136.A N TYR 173.A OH no hydrogen 3.274 N/A ASN 138.A N LYS 135.A O no hydrogen 2.990 N/A ASN 138.A ND2 ASP 133.A O no hydrogen 2.738 N/A ASN 138.A ND2 ASP 133.A OD2 no hydrogen 2.833 N/A VAL 139.A N LEU 136.A O no hydrogen 3.299 N/A LEU 140.A N LYS 148.A O no hydrogen 2.904 N/A LEU 141.A N GLY 93.A O no hydrogen 2.814 N/A ASP 142.A N HIS 146.A O no hydrogen 2.843 N/A GLU 144.A N ASP 142.A OD1 no hydrogen 2.917 N/A GLY 145.A N ASP 142.A O no hydrogen 3.047 N/A GLY 145.A N ASP 142.A OD1 no hydrogen 2.999 N/A HIS 146.A N ASP 142.A OD1 no hydrogen 3.092 N/A HIS 146.A ND1 GLU 116.A OE2 no hydrogen 2.721 N/A ILE 147.A N GLU 116.A OE1 no hydrogen 2.935 N/A LYS 148.A N LEU 140.A O no hydrogen 2.804 N/A LYS 148.A NZ PRO 68.A O no hydrogen 3.004 N/A LEU 149.A N PHE 69.A O no hydrogen 2.895 N/A THR 150.A N ASN 138.A O no hydrogen 3.022 N/A TYR 152.A OH VAL 71.A O no hydrogen 3.097 N/A TYR 152.A OH LEU 149.A O no hydrogen 3.211 N/A GLY 153.A N ASP 151.A OD1 no hydrogen 3.201 N/A CYS 155.A N TYR 152.A O no hydrogen 3.042 N/A CYS 155.A SG TYR 131.A O no hydrogen 3.824 N/A CYS 155.A SG TYR 152.A O no hydrogen 3.387 N/A LYS 156.A N ILE 130.A O no hydrogen 2.818 N/A LYS 156.A NZ THR 165.A OG1 no hydrogen 3.080 N/A LEU 159.A N GLY 128.A O no hydrogen 3.002 N/A ASP 163.A N ARG 160.A O no hydrogen 2.858 N/A THR 165.A N TYR 184.A O no hydrogen 2.919 N/A CYS 168.A SG MET 154.A O no hydrogen 3.956 N/A THR 170.A OG1 ASP 133.A OD1 no hydrogen 3.140 N/A ASN 172.A ND2 GLU 199.A OE2 no hydrogen 2.775 N/A TYR 173.A N THR 170.A O no hydrogen 2.736 N/A TYR 173.A OH GLU 199.A OE1 no hydrogen 2.391 N/A ILE 174.A N PRO 171.A O no hydrogen 3.172 N/A GLU 177.A N GLU 177.A OE2 no hydrogen 2.840 N/A LEU 179.A N ALA 175.A O no hydrogen 3.287 N/A ARG 180.A N PRO 176.A O no hydrogen 2.819 N/A ARG 180.A N GLU 177.A O no hydrogen 3.145 N/A ARG 180.A NE GLU 182.A OE1 no hydrogen 3.360 N/A ARG 180.A NE GLU 182.A OE2 no hydrogen 3.208 N/A ARG 180.A NH1 GLU 182.A OE1 no hydrogen 3.129 N/A ARG 180.A NH1 LYS 246.A O no hydrogen 3.206 N/A ARG 180.A NH2 LYS 246.A O no hydrogen 3.445 N/A GLY 181.A N ILE 178.A O no hydrogen 3.149 N/A GLU 182.A N GLU 177.A O no hydrogen 3.049 N/A TYR 184.A N THR 165.A O no hydrogen 2.841 N/A SER 187.A OG GLU 177.A OE1 no hydrogen 3.062 N/A VAL 188.A N GLY 185.A O no hydrogen 3.516 N/A ASP 189.A N PHE 186.A O no hydrogen 3.127 N/A TRP 191.A N SER 187.A O no hydrogen 3.167 N/A ALA 192.A N VAL 188.A O no hydrogen 3.143 N/A LEU 193.A N ASP 189.A O no hydrogen 2.904 N/A GLY 194.A N TRP 190.A O no hydrogen 3.086 N/A VAL 195.A N TRP 191.A O no hydrogen 3.090 N/A LEU 196.A N ALA 192.A O no hydrogen 2.982 N/A MET 197.A N LEU 193.A O no hydrogen 2.753 N/A PHE 198.A N GLY 194.A O no hydrogen 2.940 N/A GLU 199.A N VAL 195.A O no hydrogen 2.841 N/A MET 200.A N LEU 196.A O no hydrogen 2.894 N/A MET 201.A N MET 197.A O no hydrogen 3.055 N/A ALA 202.A N PHE 198.A O no hydrogen 2.822 N/A GLY 203.A N GLU 199.A O no hydrogen 2.777 N/A ARG 204.A NH1 ASP 208.A OD2 no hydrogen 3.522 N/A SER 205.A OG ASN 172.A OD1 no hydrogen 2.891 N/A PHE 207.A N SER 205.A OG no hydrogen 2.879 N/A ASP 208.A N SER 205.A O no hydrogen 3.275 N/A VAL 210.A N PHE 207.A O no hydrogen 3.272 N/A SER 212.A N ILE 209.A O no hydrogen 3.019 N/A SER 212.A OG ILE 209.A O no hydrogen 2.881 N/A TYR 216.A N THR 213.A O no hydrogen 2.811 N/A LEU 217.A N THR 213.A O no hydrogen 2.956 N/A PHE 218.A N GLU 214.A O no hydrogen 3.432 N/A GLN 219.A N ASP 215.A O no hydrogen 3.221 N/A VAL 220.A N TYR 216.A O no hydrogen 2.871 N/A ILE 221.A N LEU 217.A O no hydrogen 2.882 N/A LEU 222.A N PHE 218.A O no hydrogen 2.890 N/A GLU 223.A N GLN 219.A O no hydrogen 2.697 N/A LYS 224.A N VAL 220.A O no hydrogen 2.850 N/A LEU 232.A N PRO 229.A O no hydrogen 3.177 N/A SER 233.A N GLU 107.A OE2 no hydrogen 2.613 N/A SER 233.A OG GLU 107.A OE1 no hydrogen 2.752 N/A ALA 236.A N SER 233.A OG no hydrogen 2.922 N/A ALA 237.A N SER 233.A O no hydrogen 3.032 N/A SER 238.A N VAL 234.A O no hydrogen 2.994 N/A SER 238.A OG HIS 266.A NE2 no hydrogen 3.130 N/A VAL 239.A N LYS 235.A O no hydrogen 3.049 N/A LEU 240.A N ALA 236.A O no hydrogen 2.966 N/A LYS 241.A N ALA 237.A O no hydrogen 2.869 N/A LYS 241.A NZ ILE 226.A O no hydrogen 2.785 N/A SER 242.A N SER 238.A O no hydrogen 2.949 N/A SER 242.A OG SER 238.A O no hydrogen 2.396 N/A PHE 243.A N VAL 239.A O no hydrogen 2.913 N/A LEU 244.A N LEU 240.A O no hydrogen 2.949 N/A LYS 246.A NZ LYS 224.A O no hydrogen 3.068 N/A ASP 247.A N ASN 245.A OD1 no hydrogen 3.073 N/A LYS 249.A N ASP 247.A OD2 no hydrogen 2.852 N/A GLU 250.A N ASP 247.A O no hydrogen 2.794 N/A ARG 251.A NE ASN 245.A O no hydrogen 2.820 N/A ARG 251.A NH1 GLU 177.A OE1 no hydrogen 2.948 N/A ARG 251.A NH1 GLU 177.A OE2 no hydrogen 3.415 N/A ARG 251.A NH1 SER 187.A O no hydrogen 3.050 N/A ARG 251.A NH2 GLU 177.A OE2 no hydrogen 2.709 N/A ARG 251.A NH2 ASN 245.A O no hydrogen 2.803 N/A LEU 252.A N SER 242.A O no hydrogen 3.070 N/A CYS 254.A N ARG 251.A O no hydrogen 2.964 N/A CYS 254.A SG LEU 252.A O no hydrogen 3.799 N/A GLN 257.A N HIS 255.A ND1 no hydrogen 2.975 N/A THR 258.A N HIS 255.A ND1 no hydrogen 3.042 N/A THR 258.A OG1 ASP 262.A OD1 no hydrogen 2.894 N/A THR 258.A OG1 ASP 262.A OD2 no hydrogen 3.411 N/A GLY 259.A N HIS 255.A O no hydrogen 2.934 N/A ASP 262.A N THR 258.A O no hydrogen 2.726 N/A ILE 263.A N GLY 259.A O no hydrogen 3.126 N/A GLN 264.A N PHE 260.A O no hydrogen 2.966 N/A GLY 265.A N ALA 261.A O no hydrogen 2.956 N/A HIS 266.A N ILE 263.A O no hydrogen 3.139 N/A HIS 266.A NE2 SER 238.A OG no hydrogen 3.130 N/A PHE 268.A N HIS 266.A ND1 no hydrogen 2.935 N/A PHE 269.A N HIS 266.A O no hydrogen 2.831 N/A ARG 270.A N PRO 267.A O no hydrogen 3.160 N/A VAL 272.A N PHE 269.A O no hydrogen 3.001 N/A MET 276.A N ASP 273.A OD2 no hydrogen 2.997 N/A MET 277.A N ASP 273.A O no hydrogen 2.969 N/A GLU 278.A N TRP 274.A O no hydrogen 2.952 N/A GLN 279.A N ASP 275.A O no hydrogen 3.095 N/A GLN 279.A N MET 276.A O no hydrogen 3.215 N/A LYS 280.A N MET 277.A O no hydrogen 2.955 N/A GLN 281.A N MET 276.A O no hydrogen 2.707 N/A LYS 287.A NZ SER 143.A O no hydrogen 2.725 N/A LYS 287.A NZ PRO 288.A O no hydrogen 2.737 N/A SER 291.A OG ASP 297.A OD1 no hydrogen 2.977 N/A GLY 295.A N SER 291.A O no hydrogen 3.045 N/A ASN 298.A N GLY 295.A O no hydrogen 2.853 N/A PHE 299.A N LEU 296.A O no hydrogen 3.087 N/A GLN 302.A N ASP 300.A OD1 no hydrogen 2.696 N/A PHE 303.A N ASP 300.A O no hydrogen 3.022 N/A THR 304.A N ASP 300.A O no hydrogen 3.290 N/A ASN 305.A N SER 301.A O no hydrogen 3.135 N/A GLU 306.A N PHE 303.A O no hydrogen 2.897 N/A VAL 317.A N ASP 313.A O no hydrogen 3.280 N/A ARG 318.A N ASP 314.A O no hydrogen 2.937 N/A LYS 319.A N ILE 316.A O no hydrogen 3.003 N/A ILE 320.A N VAL 317.A O no hydrogen 3.082 N/A ASP 321.A N ASN 46.A OD1 no hydrogen 3.303 N/A GLN 322.A NE2 GLU 80.A O no hydrogen 2.853 N/A SER 323.A N ASP 321.A OD1 no hydrogen 3.246 N/A SER 323.A OG ASP 321.A OD1 no hydrogen 2.712 N/A SER 323.A OG ASP 321.A OD2 no hydrogen 3.013 N/A PHE 325.A N GLN 322.A O no hydrogen 2.985 N/A GLU 326.A N SER 323.A O no hydrogen 3.187 N/A PHE 328.A N PHE 325.A O no hydrogen 3.212 N/A GLU 329.A N GLU 329.A OE1 no hydrogen 2.922 N/A TYR 330.A N CYS 76.A O no hydrogen 3.070 N/A ASN 332.A N HIS 74.A O no hydrogen 2.905 N/A ASN 332.A ND2 HIS 74.A O no hydrogen 3.078 N/A LEU 334.A N ASN 332.A OD1 no hydrogen 2.923 N/A